#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9x n SER 2 N 0.00 1.33 -4.48 6.12 3.41 -1.26 -5.00 113.62 113.74 2k9x n SER 2 Ca 0.00 -0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.26 2k9x n SER 2 Cb 0.00 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 2k9x n SER 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2k9x s ASN 3 N -5.90 3.76 -0.52 4.04 3.84 -1.26 -5.10 114.94 113.80 2k9x s ASN 3 Ca -0.22 -0.70 -0.15 0.00 0.21 0.00 0.00 52.86 52.00 2k9x s ASN 3 Cb 0.07 -0.45 0.12 0.00 -0.55 0.00 0.00 41.25 40.44 2k9x s ASN 3 CO 0.66 0.14 0.47 -2.28 -2.79 0.00 0.00 177.10 173.29 2k9x s HIS 4 N -1.49 3.27 0.28 0.43 2.46 -1.26 -5.01 115.29 113.98 2k9x s HIS 4 Ca 0.20 -1.33 -0.19 0.00 0.47 0.00 0.00 55.06 54.21 2k9x s HIS 4 Cb -0.09 -3.68 0.07 0.00 -0.13 0.00 0.00 32.58 28.74 2k9x s HIS 4 CO 0.11 -0.99 0.92 -0.80 -2.47 0.00 0.00 174.74 171.51 2k9x s ASN 5 N 3.36 0.01 0.13 9.88 0.01 -1.25 -4.56 114.94 122.52 2k9x s ASN 5 Ca 0.03 -0.91 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 2k9x s ASN 5 Cb -0.29 0.67 0.00 0.00 0.41 0.00 0.00 41.25 42.04 2k9x s ASN 5 CO 0.03 -1.33 0.00 1.41 -1.51 0.00 0.00 177.10 175.70 2k9x n HIS 6 N -0.62 -2.18 -2.97 2.20 8.25 -1.26 -4.34 115.22 114.29 2k9x n HIS 6 Ca -0.05 1.23 -0.43 0.00 -0.26 0.00 0.00 57.72 58.21 2k9x n HIS 6 Cb 0.60 -2.62 -0.05 0.00 1.12 0.00 0.00 29.99 29.03 2k9x n HIS 6 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2k9x s ILE 7 N -0.80 4.69 -0.66 1.59 -1.09 -0.25 -3.86 121.20 120.82 2k9x s ILE 7 Ca 0.00 0.56 -0.26 0.00 -2.23 0.00 0.00 60.65 58.72 2k9x s ILE 7 Cb 0.00 -4.27 0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2k9x s ILE 7 CO 0.00 -0.61 1.17 -0.89 -1.23 0.00 0.00 174.94 173.38 2k9x s THR 8 N 3.20 3.97 -0.30 2.92 2.01 -0.00 -2.75 115.64 124.68 2k9x s THR 8 Ca 0.30 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2k9x s THR 8 Cb -0.13 -4.79 0.08 0.00 0.01 0.00 0.00 72.50 67.68 2k9x s THR 8 CO 0.21 -1.56 -0.03 0.54 -0.69 0.00 0.00 174.62 173.09 2k9x s VAL 9 N 5.07 2.24 0.22 3.82 0.11 -0.13 -0.74 120.40 130.99 2k9x s VAL 9 Ca 0.35 -2.00 0.07 0.00 -2.93 0.00 0.00 61.98 57.47 2k9x s VAL 9 Cb -0.09 -2.49 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 2k9x s VAL 9 CO 0.18 -0.32 -0.10 0.00 -3.33 0.00 0.00 175.10 171.53 2k9x s GLN 10 N 1.00 1.36 0.26 1.54 0.00 -0.97 -0.35 119.66 122.50 2k9x s GLN 10 Ca 0.01 -1.64 0.10 0.00 -0.00 0.00 0.00 55.36 53.84 2k9x s GLN 10 Cb -0.20 -1.03 -0.05 0.00 0.00 0.00 0.00 33.01 31.74 2k9x s GLN 10 CO -0.06 0.11 -0.10 -0.06 0.00 0.00 0.00 175.29 175.18 2k9x s PHE 11 N -3.06 2.52 0.52 9.60 0.40 -0.61 -3.09 117.98 124.26 2k9x s PHE 11 Ca 0.24 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 2k9x s PHE 11 Cb 0.01 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.46 2k9x s PHE 11 CO 0.08 0.64 0.52 0.00 0.70 0.00 0.00 175.22 177.16 2k9x s ALA 12 N -2.31 4.43 -0.66 5.36 0.00 -0.23 -4.71 121.76 123.64 2k9x s ALA 12 Ca 0.30 -1.68 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 2k9x s ALA 12 Cb -0.06 -1.05 -0.12 0.00 0.00 0.00 0.00 23.12 21.89 2k9x s ALA 12 CO 0.17 -0.51 2.45 0.41 0.00 0.00 0.00 175.76 178.28 2k9x n GLY 13 N -1.86 -0.02 0.00 0.00 0.00 -1.26 -0.77 105.19 101.28 2k9x n GLY 13 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 6.23 0.85 0.08 -0.02 0.00 -1.26 -4.59 105.19 106.48 2k9x n GLY 14 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 0.00 9.09 -1.76 -0.56 114.58 121.36 2k9x h GLU 16 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 2k9x h GLU 16 Cb 1.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.01 2k9x h GLU 16 CO 0.04 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.38 2k9x n LEU 17 N -4.20 0.02 -0.24 3.06 4.32 -1.26 -0.36 117.00 118.34 2k9x n LEU 17 Ca -0.01 0.51 0.01 0.00 -0.02 0.00 0.00 56.01 56.49 2k9x n LEU 17 Cb 0.18 -0.50 0.02 0.00 -1.62 0.00 0.00 43.42 41.49 2k9x n LEU 17 CO 0.31 -0.32 0.44 0.18 -1.22 0.00 0.00 177.39 176.78 2k9x n LEU 18 N -1.53 0.57 0.12 2.23 4.77 -0.22 -4.41 117.00 118.54 2k9x n LEU 18 Ca 0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2k9x n LEU 18 Cb 0.13 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2k9x n LEU 18 CO 0.11 0.13 0.00 0.33 -1.33 0.00 0.00 177.39 176.62 2k9x n PHE 19 N -0.24 -2.78 -2.36 -1.77 7.35 -1.11 -3.70 117.46 112.84 2k9x n PHE 19 Ca 0.01 0.67 -0.01 0.00 -0.76 0.00 0.00 57.45 57.37 2k9x n PHE 19 Cb 0.12 1.66 0.03 0.00 0.35 0.00 0.00 39.48 41.64 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 -3.13 -0.50 -3.19 3.13 0.00 -1.14 -4.63 120.51 111.06 2k9x n ALA 20 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 2k9x n ALA 20 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.35 -3.52 -0.94 0.00 4.01 0.51 -4.95 118.16 112.92 2k9x n LYS 21 Ca -0.06 0.56 -0.22 0.00 -0.51 0.00 0.00 58.31 58.08 2k9x n LYS 21 Cb 0.56 -5.28 0.18 0.00 -0.51 0.00 0.00 35.03 29.98 2k9x n LYS 21 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2k9x n GLN 22 N -3.67 -2.21 0.00 1.97 1.13 -1.24 -4.92 117.38 108.44 2k9x n GLN 22 Ca -0.05 -1.37 0.00 0.00 -1.94 0.00 0.00 57.00 53.64 2k9x n GLN 22 Cb 0.56 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.73 2k9x n GLN 22 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k9x n THR 23 N -4.05 0.00 -4.17 5.09 -2.24 -1.26 -4.72 114.28 102.93 2k9x n THR 23 Ca 0.12 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 2k9x n THR 23 Cb 0.44 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.41 1.09 0.04 3.42 1.04 -1.26 -1.57 113.70 116.05 2k9x s SER 24 Ca 0.00 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.42 2k9x s SER 24 Cb 0.00 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2k9x s SER 24 CO 0.00 -0.48 -0.05 -0.76 0.98 0.00 0.00 173.24 172.92 2k9x s LEU 25 N -3.04 2.30 -0.30 2.42 1.02 0.52 -4.93 118.68 116.68 2k9x s LEU 25 Ca 0.12 -0.62 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 2k9x s LEU 25 Cb 0.06 -0.01 0.10 0.00 0.02 0.00 0.00 46.19 46.35 2k9x s LEU 25 CO -0.05 -0.31 0.10 -1.10 0.02 0.00 0.00 176.35 175.01 2k9x s GLN 26 N -2.00 0.64 -0.09 1.70 1.11 -1.23 -0.96 119.66 118.83 2k9x s GLN 26 Ca -0.08 -0.96 -0.10 0.00 0.01 0.00 0.00 55.36 54.23 2k9x s GLN 26 Cb -0.07 -1.88 -0.05 0.00 -1.01 0.00 0.00 33.01 30.01 2k9x s GLN 26 CO -0.02 -0.97 0.23 -0.51 0.01 0.00 0.00 175.29 174.03 2k9x s LEU 27 N 1.70 4.40 -0.51 2.90 1.43 -1.11 -4.75 118.68 122.74 2k9x s LEU 27 Ca 0.09 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2k9x s LEU 27 Cb -0.17 -2.24 0.13 0.00 0.03 0.00 0.00 46.19 43.95 2k9x s LEU 27 CO -0.26 0.37 0.34 -1.81 0.23 0.00 0.00 176.35 175.22 2k9x s ASP 28 N -0.94 5.46 0.46 2.29 1.01 -1.26 -1.09 116.67 122.59 2k9x s ASP 28 Ca 0.17 -2.27 -0.11 0.00 0.71 0.00 0.00 52.55 51.06 2k9x s ASP 28 Cb -0.13 -1.91 -0.06 0.00 1.01 0.00 0.00 42.92 41.83 2k9x s ASP 28 CO 0.07 -0.54 0.84 -0.83 0.21 0.00 0.00 175.17 174.91 2k9x s GLY 29 N 1.76 1.88 0.00 0.21 0.00 -1.26 -5.03 107.32 104.89 2k9x s GLY 29 Ca 0.11 -0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.50 2k9x s GLY 29 CO -0.03 0.05 0.90 -2.08 0.00 0.00 0.00 173.10 171.94 2k9x h VAL 30 N 0.82 0.00 -1.50 1.40 2.07 -2.08 -3.42 116.25 113.54 2k9x h VAL 30 Ca -0.47 -0.23 -0.46 0.00 0.82 0.00 0.00 66.70 66.36 2k9x h VAL 30 Cb 1.19 0.00 -0.33 0.00 -1.52 0.00 0.00 31.29 30.63 2k9x h VAL 30 CO 0.63 0.00 -0.96 0.55 0.02 0.00 0.00 177.57 177.80 2k9x n VAL 31 N -4.22 -0.44 1.95 2.57 3.14 -1.26 -4.95 118.33 115.12 2k9x n VAL 31 Ca -0.07 -3.46 0.04 0.00 -2.96 0.00 0.00 64.34 57.89 2k9x n VAL 31 Cb 0.23 -0.83 0.25 0.00 -1.06 0.00 0.00 33.84 32.43 2k9x n VAL 31 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k9x n PRO 32 N 1.24 0.98 -0.30 1.45 -0.02 -1.26 -4.04 135.00 133.04 2k9x n PRO 32 Ca 0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2k9x n PRO 32 Cb 0.58 -1.13 0.34 0.00 -0.02 0.00 0.00 33.50 33.26 2k9x n PRO 32 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2k9x h THR 33 N 0.00 0.85 -0.73 3.45 2.02 -1.93 -2.15 112.91 114.42 2k9x h THR 33 Ca 0.00 -0.27 -0.39 0.00 0.77 0.00 0.00 66.41 66.52 2k9x h THR 33 Cb 0.00 -0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.26 2k9x h THR 33 CO 0.00 0.14 0.25 0.61 0.37 0.00 0.00 175.52 176.89 2k9x n GLY 34 N -1.40 4.01 3.10 2.16 0.00 -1.26 -4.42 105.19 107.38 2k9x n GLY 34 Ca 0.18 -1.55 -0.12 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 -1.63 0.04 0.19 2.61 2.01 -0.81 -5.08 115.64 112.97 2k9x s THR 35 Ca 0.53 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2k9x s THR 35 Cb 0.33 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.49 2k9x s THR 35 CO -0.13 -0.20 0.16 -0.46 -0.69 0.00 0.00 174.62 173.29 2k9x n ASN 36 N 2.13 1.48 -0.34 3.53 6.94 -1.26 -0.57 115.26 127.17 2k9x n ASN 36 Ca -0.18 -1.62 0.03 0.00 -0.02 0.00 0.00 54.58 52.78 2k9x n ASN 36 Cb 0.57 -0.03 0.20 0.00 -2.36 0.00 0.00 39.78 38.16 2k9x n ASN 36 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2k9x h LEU 37 N 0.00 0.99 -1.19 -4.53 6.46 -0.36 -0.79 115.31 115.89 2k9x h LEU 37 Ca -0.11 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.77 2k9x h LEU 37 Cb 0.43 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.08 2k9x h LEU 37 CO 0.18 0.64 0.59 -1.13 -0.62 0.00 0.00 178.44 178.10 2k9x h ASN 38 N 1.12 0.78 0.73 1.25 -0.73 -1.78 0.11 115.58 117.06 2k9x h ASN 38 Ca 0.40 0.04 -0.22 0.00 1.87 0.00 0.00 56.30 58.39 2k9x h ASN 38 Cb 0.15 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 2k9x h ASN 38 CO -0.15 0.42 -0.99 1.23 -0.37 0.00 0.00 177.43 177.58 2k9x h GLY 39 N 0.84 0.16 0.60 1.57 0.00 -1.53 -2.91 103.07 101.78 2k9x h GLY 39 Ca 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2k9x h GLY 39 CO -0.21 0.29 -0.09 -2.00 0.00 0.00 0.00 176.54 174.53 2k9x h LEU 40 N 0.06 -0.21 0.56 3.11 5.85 0.13 -2.22 115.31 122.60 2k9x h LEU 40 Ca -0.05 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2k9x h LEU 40 Cb 1.68 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 2k9x h LEU 40 CO 0.15 0.19 -0.38 -0.37 -0.34 0.00 0.00 178.44 177.69 2k9x h VAL 41 N -0.66 0.23 -0.95 1.05 -1.51 -0.98 -2.01 116.25 111.42 2k9x h VAL 41 Ca -0.03 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.70 2k9x h VAL 41 Cb 0.47 0.23 -0.05 0.00 -2.13 0.00 0.00 31.29 29.81 2k9x h VAL 41 CO 0.04 0.00 0.66 -0.61 -1.23 0.00 0.00 177.57 176.43 2k9x h GLN 42 N -0.90 0.15 0.00 5.19 -0.00 -1.61 0.42 115.11 118.35 2k9x h GLN 42 Ca -0.07 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.48 2k9x h GLN 42 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 2k9x h GLN 42 CO 0.05 0.10 -0.44 1.25 0.00 0.00 0.00 178.83 179.79 2k9x h LEU 43 N 0.15 0.00 0.04 -2.39 5.85 -0.72 -2.34 115.31 115.90 2k9x h LEU 43 Ca 0.48 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.81 2k9x h LEU 43 Cb 1.61 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 2k9x h LEU 43 CO -0.09 0.44 -2.32 0.00 -0.34 0.00 0.00 178.44 176.13 2k9x n LEU 44 N -3.67 2.82 0.00 2.25 -0.00 0.11 -4.04 117.00 114.47 2k9x n LEU 44 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2k9x n LEU 44 Cb 0.52 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 2k9x n LEU 44 CO 0.38 0.89 0.00 2.29 -0.00 0.00 0.00 177.39 180.95 2k9x n LYS 45 N -3.39 0.00 0.25 1.47 2.85 0.76 -0.64 118.16 119.46 2k9x n LYS 45 Ca -0.42 0.33 0.17 0.00 -1.05 0.00 0.00 58.31 57.34 2k9x n LYS 45 Cb 1.00 -0.82 0.78 0.00 -0.65 0.00 0.00 35.03 35.34 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 0.14 0.00 0.58 2.02 -1.62 0.63 112.91 114.67 2k9x h THR 46 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 2k9x h THR 46 Cb 0.00 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 2k9x h THR 46 CO 0.00 0.00 -2.26 -3.20 0.37 0.00 0.00 175.52 170.43 2k9x n ASN 47 N -3.19 0.74 -2.74 4.18 2.85 -0.93 -4.76 115.26 111.42 2k9x n ASN 47 Ca 0.01 -0.02 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 2k9x n ASN 47 Cb 0.47 0.77 0.03 0.00 1.24 0.00 0.00 39.78 42.30 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2k9x n TYR 48 N -2.74 0.60 -3.61 1.20 4.01 0.18 -4.99 117.16 111.81 2k9x n TYR 48 Ca -0.31 -2.84 -0.38 0.00 -0.16 0.00 0.00 57.90 54.21 2k9x n TYR 48 Cb 1.07 -0.16 -0.11 0.00 -0.31 0.00 0.00 39.34 39.83 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 -2.65 5.21 -0.48 -0.72 0.11 0.21 -4.57 120.40 117.52 2k9x s VAL 49 Ca 0.28 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 2k9x s VAL 49 Cb 0.44 -3.48 0.62 0.00 -1.53 0.00 0.00 36.38 32.42 2k9x s VAL 49 CO 0.01 0.26 1.90 0.29 -3.33 0.00 0.00 175.10 174.23 2k9x n LYS 50 N 5.04 2.31 -2.49 1.54 5.02 -1.24 -4.95 118.16 123.38 2k9x n LYS 50 Ca -0.14 -3.09 -0.05 0.00 -2.02 0.00 0.00 58.31 53.00 2k9x n LYS 50 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2k9x n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k9x n GLU 51 N -1.10 0.48 -1.72 1.97 4.07 -1.25 -4.59 120.64 118.50 2k9x n GLU 51 Ca 0.58 -1.19 -0.43 0.00 -0.06 0.00 0.00 57.16 56.06 2k9x n GLU 51 Cb 1.44 1.34 -0.03 0.00 -0.06 0.00 0.00 31.44 34.13 2k9x n GLU 51 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k9x s ARG 52 N -2.17 3.20 0.55 5.31 3.00 -1.26 -4.85 118.95 122.74 2k9x s ARG 52 Ca 0.10 1.87 0.24 0.00 0.00 0.00 0.00 55.73 57.94 2k9x s ARG 52 Cb -0.02 -4.32 1.56 0.00 0.00 0.00 0.00 34.95 32.17 2k9x s ARG 52 CO 0.07 -2.02 2.20 -1.00 0.00 0.00 0.00 175.30 174.55 2k9x h PRO 53 N 14.40 0.00 -0.35 3.54 0.13 -1.97 -0.76 132.00 147.00 2k9x h PRO 53 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k9x h PRO 53 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k9x h PRO 53 CO 0.98 0.01 0.00 -3.47 -0.23 0.00 0.00 178.00 175.29 2k9x n ASP 54 N -4.13 2.16 0.03 1.44 2.03 -1.26 -3.73 116.55 113.09 2k9x n ASP 54 Ca -0.03 -1.92 -0.02 0.00 0.52 0.00 0.00 54.79 53.35 2k9x n ASP 54 Cb 0.10 -0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 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 2.52 0.00 0.00 -2.67 8.10 -1.52 -3.40 115.31 118.35 2k9x h LEU 55 Ca 0.00 0.00 -0.43 0.00 0.11 0.00 0.00 57.88 57.56 2k9x h LEU 55 Cb 0.57 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.72 2k9x h LEU 55 CO 0.00 0.67 -2.50 0.00 -4.11 0.00 0.00 178.44 172.50 2k9x n LEU 56 N -2.98 2.25 -4.63 0.17 -0.00 -1.26 -4.87 117.00 105.69 2k9x n LEU 56 Ca -0.09 0.18 -0.38 0.00 -0.00 0.00 0.00 56.01 55.72 2k9x n LEU 56 Cb 0.87 -0.83 0.05 0.00 -0.00 0.00 0.00 43.42 43.52 2k9x n LEU 56 CO 0.43 0.68 0.58 1.33 -0.00 0.00 0.00 177.39 180.41 2k9x n VAL 57 N -3.91 3.83 0.14 1.47 0.24 -1.24 0.88 118.33 119.73 2k9x n VAL 57 Ca -0.51 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.15 2k9x n VAL 57 Cb 0.91 -1.18 -0.08 0.00 -1.47 0.00 0.00 33.84 32.02 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 0.49 -0.28 0.00 -1.34 3.58 -0.37 -3.33 116.42 115.18 2k9x h ASP 58 Ca -0.49 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2k9x h ASP 58 Cb 1.36 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.48 2k9x h ASP 58 CO 0.51 -0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 2k9x n GLN 59 N -5.16 0.00 -0.37 0.28 1.13 -1.26 -4.77 117.38 107.23 2k9x n GLN 59 Ca -0.09 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.01 2k9x n GLN 59 Cb 0.21 0.00 0.20 0.00 0.11 0.00 0.00 30.24 30.75 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k9x n THR 60 N -1.42 1.11 -1.64 5.09 -2.24 -1.26 -4.88 114.28 109.03 2k9x n THR 60 Ca 0.00 -0.65 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 2k9x n THR 60 Cb 0.00 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 2k9x n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k9x n GLY 61 N 0.60 1.26 0.08 3.38 0.00 -1.26 -4.78 105.19 104.48 2k9x n GLY 61 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.25 1.02 -3.83 1.61 7.27 -1.26 -4.99 117.38 114.95 2k9x n GLN 62 Ca -0.17 0.05 -0.20 0.00 0.07 0.00 0.00 57.00 56.75 2k9x n GLN 62 Cb 0.57 -1.37 -0.05 0.00 2.41 0.00 0.00 30.24 31.80 2k9x n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k9x n THR 63 N -2.80 0.00 -4.20 1.69 -2.24 -1.26 -4.88 114.28 100.59 2k9x n THR 63 Ca -0.28 -1.77 -0.27 0.00 -2.27 0.00 0.00 64.05 59.46 2k9x n THR 63 Cb 0.90 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 2k9x n THR 63 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k9x s LEU 64 N 0.00 3.33 0.58 3.22 1.43 -1.26 0.24 118.68 126.23 2k9x s LEU 64 Ca 0.12 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 2k9x s LEU 64 Cb 0.01 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2k9x s LEU 64 CO 0.08 0.09 1.09 0.00 0.23 0.00 0.00 176.35 177.85 2k9x s ARG 65 N -2.93 3.23 0.03 1.70 1.04 0.25 -4.15 118.95 118.13 2k9x s ARG 65 Ca 0.27 1.40 -0.34 0.00 -1.04 0.00 0.00 55.73 56.03 2k9x s ARG 65 Cb -0.09 -2.01 -0.12 0.00 -2.04 0.00 0.00 34.95 30.68 2k9x s ARG 65 CO 0.19 -0.91 1.76 -2.30 -0.04 0.00 0.00 175.30 174.00 2k9x n PRO 66 N -1.80 2.25 0.00 3.89 -0.02 -1.26 -3.76 135.00 134.30 2k9x n PRO 66 Ca 0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2k9x n PRO 66 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2k9x n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k9x n GLY 67 N 4.00 3.29 3.62 -1.23 0.00 -1.26 -4.62 105.19 108.99 2k9x n GLY 67 Ca 0.20 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2k9x n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k9x s ILE 68 N 0.00 5.04 -0.65 -0.61 1.01 -1.25 -0.57 121.20 124.18 2k9x s ILE 68 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 60.65 61.39 2k9x s ILE 68 Cb 0.00 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.69 2k9x s ILE 68 CO 0.00 0.07 0.92 -0.76 0.00 0.00 0.00 174.94 175.17 2k9x s LEU 69 N 2.35 4.56 -0.06 2.97 1.43 0.13 -4.81 118.68 125.26 2k9x s LEU 69 Ca 0.23 -1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 2k9x s LEU 69 Cb -0.16 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 2k9x s LEU 69 CO 0.09 -1.38 1.09 0.68 0.23 0.00 0.00 176.35 177.06 2k9x s VAL 70 N 3.82 4.53 -0.08 -1.59 -7.23 -1.26 -3.25 120.40 115.34 2k9x s VAL 70 Ca 0.20 1.82 0.03 0.00 -1.81 0.00 0.00 61.98 62.22 2k9x s VAL 70 Cb -0.18 -4.17 0.01 0.00 0.56 0.00 0.00 36.38 32.60 2k9x s VAL 70 CO 0.10 0.03 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.99 2k9x s LEU 71 N 1.87 1.81 -0.27 1.32 1.43 -1.14 -1.40 118.68 122.30 2k9x s LEU 71 Ca 0.53 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2k9x s LEU 71 Cb -0.22 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2k9x s LEU 71 CO 0.22 0.08 -0.01 0.68 0.23 0.00 0.00 176.35 177.55 2k9x s VAL 72 N 0.57 3.25 -1.25 -1.59 -7.23 0.24 -2.29 120.40 112.11 2k9x s VAL 72 Ca -0.16 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2k9x s VAL 72 Cb -0.17 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2k9x s VAL 72 CO 0.05 0.14 0.77 0.59 -0.31 0.00 0.00 175.10 176.34 2k9x n ASN 73 N 4.73 -2.32 -2.42 4.85 4.13 -1.15 -1.47 115.26 121.62 2k9x n ASN 73 Ca -0.16 -0.81 -0.20 0.00 1.68 0.00 0.00 54.58 55.10 2k9x n ASN 73 Cb 0.47 -4.23 -0.01 0.00 -1.54 0.00 0.00 39.78 34.47 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2k9x n SER 74 N -3.04 -5.77 -3.70 6.41 7.64 -1.26 -4.97 113.62 108.92 2k9x n SER 74 Ca -0.25 -0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.48 2k9x n SER 74 Cb 0.66 -4.81 -0.14 0.00 -1.01 0.00 0.00 64.21 58.91 2k9x n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9x n ASP 76 N 4.75 1.09 0.30 0.00 8.00 -1.26 0.83 116.55 130.27 2k9x n ASP 76 Ca -0.16 1.14 0.20 0.00 0.71 0.00 0.00 54.79 56.68 2k9x n ASP 76 Cb 0.51 -1.05 1.01 0.00 -0.02 0.00 0.00 41.12 41.57 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 4.42 1.00 0.00 2.24 0.00 -1.54 -1.50 119.26 123.87 2k9x h ALA 77 Ca -0.48 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2k9x h ALA 77 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k9x h ALA 77 CO 0.78 0.00 -0.44 0.93 0.00 0.00 0.00 179.25 180.52 2k9x h GLU 78 N 0.00 0.00 -0.18 0.00 4.39 -1.79 0.36 114.58 117.36 2k9x h GLU 78 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2k9x h GLU 78 Cb 0.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2k9x h GLU 78 CO 0.00 0.44 -0.28 0.28 -1.16 0.00 0.00 179.01 178.29 2k9x h VAL 79 N 0.00 1.34 -0.34 3.13 2.07 -1.62 -3.22 116.25 117.60 2k9x h VAL 79 Ca -0.00 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 65.85 2k9x h VAL 79 Cb 1.00 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2k9x h VAL 79 CO 0.06 0.46 -0.45 -0.37 0.02 0.00 0.00 177.57 177.28 2k9x h VAL 80 N 0.16 1.27 0.00 2.57 -1.51 -1.60 -3.45 116.25 113.69 2k9x h VAL 80 Ca 0.02 -1.63 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 2k9x h VAL 80 Cb 0.86 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2k9x h VAL 80 CO 0.06 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 177.55 2k9x n GLY 81 N 0.22 0.00 7.00 5.19 0.00 -0.89 -4.85 105.19 111.86 2k9x n GLY 81 Ca -0.03 0.00 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 1.26 1.44 -0.02 0.00 0.12 0.04 105.19 108.04 2k9x n GLY 82 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 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 2.29 -0.07 1.61 2.81 -1.26 -4.39 117.12 118.11 2k9x n MET 83 Ca 0.00 -3.09 0.09 0.00 -1.81 0.00 0.00 57.70 52.89 2k9x n MET 83 Cb 0.00 -1.94 0.13 0.00 -0.71 0.00 0.00 33.22 30.70 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 -0.93 2.29 -4.65 7.83 2.03 0.11 -2.49 116.55 120.73 2k9x n ASP 84 Ca 0.38 -2.99 -0.43 0.00 0.52 0.00 0.00 54.79 52.27 2k9x n ASP 84 Cb 1.19 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 41.17 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 -2.69 2.11 0.45 -0.67 5.04 -1.26 -4.60 117.35 115.73 2k9x s TYR 85 Ca 0.29 0.43 -0.23 0.00 -2.44 0.00 0.00 57.07 55.12 2k9x s TYR 85 Cb 0.25 -3.90 -0.08 0.00 0.35 0.00 0.00 41.96 38.59 2k9x s TYR 85 CO 0.03 -3.25 1.15 0.14 -1.34 0.00 0.00 175.55 172.27 2k9x s VAL 86 N 4.54 3.20 0.36 3.14 -7.23 -1.26 0.25 120.40 123.40 2k9x s VAL 86 Ca 0.71 0.90 0.01 0.00 -1.81 0.00 0.00 61.98 61.79 2k9x s VAL 86 Cb -0.29 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 2k9x s VAL 86 CO 0.28 -0.02 0.56 -0.76 -0.31 0.00 0.00 175.10 174.85 2k9x s LEU 87 N -3.01 3.95 -0.18 1.32 1.02 0.26 -4.89 118.68 117.15 2k9x s LEU 87 Ca 0.63 0.34 0.13 0.00 0.02 0.00 0.00 54.13 55.25 2k9x s LEU 87 Cb -0.27 -3.21 0.31 0.00 0.02 0.00 0.00 46.19 43.04 2k9x s LEU 87 CO 0.33 -0.38 1.26 0.59 0.02 0.00 0.00 176.35 178.17 2k9x n ASN 88 N -1.82 -0.43 -2.64 2.29 3.02 -1.26 -4.62 115.26 109.79 2k9x n ASN 88 Ca -0.03 -2.09 -0.04 0.00 -0.03 0.00 0.00 54.58 52.39 2k9x n ASN 88 Cb 0.57 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 2k9x n ASN 88 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k9x n ASP 89 N -0.65 -3.04 0.00 6.41 9.92 -1.26 -4.85 116.55 123.08 2k9x n ASP 89 Ca -0.13 1.39 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 2k9x n ASP 89 Cb 0.85 -5.33 0.00 0.00 -0.64 0.00 0.00 41.12 36.00 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k9x n GLY 90 N 1.36 1.38 3.94 0.44 0.00 -1.25 -3.77 105.19 107.30 2k9x n GLY 90 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 4.88 -0.02 1.61 2.15 -1.26 -4.78 116.67 117.26 2k9x s ASP 91 Ca 0.00 0.32 0.01 0.00 0.43 0.00 0.00 52.55 53.31 2k9x s ASP 91 Cb 0.00 -1.01 0.01 0.00 -0.30 0.00 0.00 42.92 41.62 2k9x s ASP 91 CO 0.00 -1.52 -0.01 -0.89 -0.17 0.00 0.00 175.17 172.58 2k9x s THR 92 N -3.14 0.19 -0.03 1.71 2.01 -1.26 -0.82 115.64 114.29 2k9x s THR 92 Ca 0.60 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 2k9x s THR 92 Cb -0.10 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.20 2k9x s THR 92 CO 0.43 0.10 0.07 0.54 -0.69 0.00 0.00 174.62 175.07 2k9x s VAL 93 N 0.47 -0.03 0.06 3.82 0.11 0.08 -2.92 120.40 121.99 2k9x s VAL 93 Ca -0.05 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 2k9x s VAL 93 Cb -0.07 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 2k9x s VAL 93 CO -0.01 0.05 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.07 2k9x s GLU 94 N 0.65 0.79 -0.30 1.54 2.02 -0.97 -2.30 118.70 120.13 2k9x s GLU 94 Ca -0.05 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.08 2k9x s GLU 94 Cb -0.07 -0.77 0.08 0.00 0.10 0.00 0.00 34.13 33.47 2k9x s GLU 94 CO -0.02 0.17 -0.01 -0.06 0.02 0.00 0.00 175.26 175.36 2k9x s PHE 95 N -1.20 3.23 -0.38 1.61 0.08 -1.18 -2.90 117.98 117.24 2k9x s PHE 95 Ca -0.02 -2.50 -0.04 0.00 0.12 0.00 0.00 56.93 54.49 2k9x s PHE 95 Cb -0.10 -2.31 0.09 0.00 -0.57 0.00 0.00 43.02 40.13 2k9x s PHE 95 CO 0.02 -0.90 0.16 0.42 -0.10 0.00 0.00 175.22 174.83 2k9x s ILE 96 N 1.10 3.45 0.02 0.64 1.01 -1.20 -1.07 121.20 125.15 2k9x s ILE 96 Ca 0.02 -1.71 -0.27 0.00 0.00 0.00 0.00 60.65 58.68 2k9x s ILE 96 Cb -0.19 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2k9x s ILE 96 CO -0.08 -0.49 0.86 -0.94 0.00 0.00 0.00 174.94 174.29 2k9x s SER 97 N 1.74 7.28 0.18 3.58 1.04 -1.26 0.22 113.70 126.47 2k9x s SER 97 Ca 0.04 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2k9x s SER 97 Cb -0.22 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2k9x s SER 97 CO -0.02 -0.12 0.00 0.35 0.98 0.00 0.00 173.24 174.43 2k9x n THR 98 N 3.38 0.00 -2.28 2.02 -2.24 0.26 -4.86 114.28 110.56 2k9x n THR 98 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2k9x n THR 98 Cb 0.50 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 -6.11 3.60 -0.21 3.22 1.98 -1.18 -4.98 118.68 115.01 2k9x s LEU 99 Ca 0.00 0.97 -0.21 0.00 -2.89 0.00 0.00 54.13 52.00 2k9x s LEU 99 Cb 0.00 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.29 2k9x s LEU 99 CO 0.00 -1.45 0.64 -2.28 -1.89 0.00 0.00 176.35 171.37 2k9x s HIS 100 N 5.62 3.36 0.05 5.38 5.65 -1.26 -4.00 115.29 130.09 2k9x s HIS 100 Ca 0.65 0.93 0.09 0.00 0.25 0.00 0.00 55.06 56.98 2k9x s HIS 100 Cb -0.16 -2.82 -0.03 0.00 -1.18 0.00 0.00 32.58 28.39 2k9x s HIS 100 CO 0.32 -0.21 -0.26 0.20 -0.65 0.00 0.00 174.74 174.14 2k9x s GLY 101 N 1.25 1.44 0.00 1.59 0.00 -1.26 -5.11 107.32 105.23 2k9x s GLY 101 Ca 0.29 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2k9x s GLY 101 CO 0.10 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.64