#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 6.61 0.02 6.12 0.01 -1.26 -4.95 113.70 120.26 2k9x s SER 2 Ca 0.00 -1.81 0.03 0.00 1.31 0.00 0.00 55.95 55.48 2k9x s SER 2 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2k9x s SER 2 CO 0.00 -1.34 -0.08 0.21 0.41 0.00 0.00 173.24 172.43 2k9x s ASN 3 N 4.53 0.98 -0.37 2.44 3.84 -1.26 -4.96 114.94 120.13 2k9x s ASN 3 Ca 0.46 -0.37 -0.09 0.00 0.21 0.00 0.00 52.86 53.07 2k9x s ASN 3 Cb -0.00 -0.04 0.01 0.00 -0.55 0.00 0.00 41.25 40.67 2k9x s ASN 3 CO -0.06 -0.05 0.35 1.41 -2.79 0.00 0.00 177.10 175.96 2k9x n HIS 4 N 2.10 -3.65 -3.97 0.43 8.25 -1.26 -5.05 115.22 112.07 2k9x n HIS 4 Ca -0.18 1.53 -0.22 0.00 -0.26 0.00 0.00 57.72 58.59 2k9x n HIS 4 Cb 0.56 -4.03 -0.05 0.00 1.12 0.00 0.00 29.99 27.59 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 -2.19 4.89 -0.29 0.41 0.01 -1.26 -5.13 114.94 111.38 2k9x s ASN 5 Ca 0.15 -0.70 -0.24 0.00 -0.71 0.00 0.00 52.86 51.36 2k9x s ASN 5 Cb -0.04 -0.78 0.17 0.00 0.41 0.00 0.00 41.25 41.02 2k9x s ASN 5 CO 0.76 -0.36 1.31 -1.38 -1.51 0.00 0.00 177.10 175.93 2k9x s HIS 6 N -2.40 -0.18 -0.11 2.20 -3.43 -0.92 -4.95 115.29 105.50 2k9x s HIS 6 Ca 0.40 0.42 -0.04 0.00 -0.80 0.00 0.00 55.06 55.04 2k9x s HIS 6 Cb -0.03 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 2k9x s HIS 6 CO 0.24 -0.09 0.03 0.42 -2.00 0.00 0.00 174.74 173.35 2k9x s ILE 7 N 0.22 4.57 -0.39 -5.38 1.01 -1.11 -4.07 121.20 116.05 2k9x s ILE 7 Ca 0.04 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 2k9x s ILE 7 Cb -0.05 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2k9x s ILE 7 CO -0.13 0.58 0.57 -0.89 0.00 0.00 0.00 174.94 175.07 2k9x s THR 8 N -0.62 4.93 -0.21 2.92 2.01 0.49 -3.63 115.64 121.53 2k9x s THR 8 Ca 0.11 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 2k9x s THR 8 Cb -0.12 -4.08 0.06 0.00 0.01 0.00 0.00 72.50 68.37 2k9x s THR 8 CO 0.02 -0.40 0.04 0.54 -0.69 0.00 0.00 174.62 174.13 2k9x s VAL 9 N 2.58 0.57 0.09 3.82 0.11 -1.07 -0.93 120.40 125.57 2k9x s VAL 9 Ca 0.20 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2k9x s VAL 9 Cb -0.15 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 2k9x s VAL 9 CO 0.16 -0.27 0.01 0.00 -3.33 0.00 0.00 175.10 171.67 2k9x s GLN 10 N 1.83 0.76 0.09 1.54 0.00 -1.19 -0.01 119.66 122.68 2k9x s GLN 10 Ca 0.00 -1.32 0.08 0.00 -0.00 0.00 0.00 55.36 54.12 2k9x s GLN 10 Cb -0.17 0.23 -0.04 0.00 0.00 0.00 0.00 33.01 33.03 2k9x s GLN 10 CO -0.10 -0.18 -0.18 -0.06 0.00 0.00 0.00 175.29 174.77 2k9x s PHE 11 N -3.98 2.55 0.01 9.60 0.08 -0.84 -3.28 117.98 122.12 2k9x s PHE 11 Ca 0.15 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.96 2k9x s PHE 11 Cb 0.08 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2k9x s PHE 11 CO -0.04 0.35 -0.07 0.00 -0.10 0.00 0.00 175.22 175.35 2k9x s ALA 12 N -1.08 0.56 0.00 5.36 0.00 -0.52 -4.69 121.76 121.39 2k9x s ALA 12 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2k9x s ALA 12 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2k9x s ALA 12 CO 0.09 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2k9x n GLY 13 N 2.41 1.69 0.62 0.00 0.00 -1.26 -3.12 105.19 105.52 2k9x n GLY 13 Ca -0.16 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 4.87 0.02 -0.02 0.00 -1.26 -4.60 105.19 104.19 2k9x n GLY 14 Ca 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 0.39 0.00 0.00 5.08 -1.82 0.13 114.58 118.36 2k9x h GLU 16 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k9x h GLU 16 Cb 0.78 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k9x h GLU 16 CO 0.00 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 2k9x n LEU 17 N -4.49 0.00 -0.44 1.33 4.77 -1.26 -0.05 117.00 116.86 2k9x n LEU 17 Ca 0.02 0.26 0.02 0.00 -0.03 0.00 0.00 56.01 56.28 2k9x n LEU 17 Cb 0.11 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2k9x n LEU 17 CO 0.35 -0.10 0.46 0.18 -1.33 0.00 0.00 177.39 176.95 2k9x n LEU 18 N -1.26 1.12 0.20 2.23 4.77 0.03 -4.47 117.00 119.62 2k9x n LEU 18 Ca 0.10 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2k9x n LEU 18 Cb 0.14 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2k9x n LEU 18 CO 0.14 0.22 0.00 0.33 -1.33 0.00 0.00 177.39 176.76 2k9x n PHE 19 N -0.05 -3.99 -2.28 -1.77 -0.00 -1.18 -4.32 117.46 103.87 2k9x n PHE 19 Ca 0.04 1.22 -0.00 0.00 -0.00 0.00 0.00 57.45 58.71 2k9x n PHE 19 Cb 0.23 2.90 0.01 0.00 -0.00 0.00 0.00 39.48 42.62 2k9x n PHE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2k9x n ALA 20 N -3.42 -1.22 -3.27 3.13 0.00 -1.18 -4.60 120.51 109.94 2k9x n ALA 20 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 2k9x n ALA 20 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.15 -3.60 -3.50 0.00 4.01 0.93 -4.94 118.16 110.90 2k9x n LYS 21 Ca -0.03 0.55 -0.31 0.00 -0.51 0.00 0.00 58.31 58.01 2k9x n LYS 21 Cb 0.49 -5.28 -0.05 0.00 -0.51 0.00 0.00 35.03 29.69 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 -5.92 3.69 -0.05 1.97 -1.52 -1.24 -4.95 119.66 111.64 2k9x s GLN 22 Ca 0.37 0.06 -0.01 0.00 -1.95 0.00 0.00 55.36 53.83 2k9x s GLN 22 Cb -0.19 -2.73 -0.01 0.00 -0.22 0.00 0.00 33.01 29.87 2k9x s GLN 22 CO 0.45 0.35 0.06 1.79 -0.25 0.00 0.00 175.29 177.69 2k9x h THR 23 N 1.86 0.00 -4.16 -0.19 1.35 -1.92 -3.39 112.91 106.47 2k9x h THR 23 Ca -0.47 -0.55 -0.14 0.00 -0.55 0.00 0.00 66.41 64.71 2k9x h THR 23 Cb 1.17 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.45 2k9x h THR 23 CO 0.70 0.00 -0.52 -0.94 -0.25 0.00 0.00 175.52 174.51 2k9x s SER 24 N -4.40 0.23 0.19 5.36 1.04 -1.26 -1.98 113.70 112.87 2k9x s SER 24 Ca -0.00 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.32 2k9x s SER 24 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2k9x s SER 24 CO 0.01 -0.76 0.33 -0.76 0.98 0.00 0.00 173.24 173.05 2k9x s LEU 25 N -2.98 0.77 -0.06 2.42 1.43 0.98 -4.96 118.68 116.27 2k9x s LEU 25 Ca 0.17 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2k9x s LEU 25 Cb 0.06 1.33 0.02 0.00 0.03 0.00 0.00 46.19 47.63 2k9x s LEU 25 CO -0.02 -0.96 -0.06 -1.10 0.23 0.00 0.00 176.35 174.45 2k9x s GLN 26 N -3.99 1.06 -0.03 1.70 -0.21 -1.26 -2.59 119.66 114.35 2k9x s GLN 26 Ca 0.19 -0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.47 2k9x s GLN 26 Cb 0.02 -1.08 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 2k9x s GLN 26 CO 0.03 -0.13 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.40 2k9x s LEU 27 N 1.18 2.69 -0.16 2.90 1.43 -1.24 -4.87 118.68 120.60 2k9x s LEU 27 Ca -0.06 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2k9x s LEU 27 Cb -0.14 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2k9x s LEU 27 CO -0.01 0.32 -0.17 -1.81 0.23 0.00 0.00 176.35 174.91 2k9x s ASP 28 N -0.89 3.48 -0.08 2.29 1.01 -1.26 -2.74 116.67 118.49 2k9x s ASP 28 Ca 0.12 -0.53 0.05 0.00 0.71 0.00 0.00 52.55 52.90 2k9x s ASP 28 Cb -0.11 -1.53 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 2k9x s ASP 28 CO 0.02 0.06 -0.22 -0.83 0.21 0.00 0.00 175.17 174.41 2k9x s GLY 29 N 0.95 1.36 0.13 0.21 0.00 -1.26 -5.02 107.32 103.68 2k9x s GLY 29 Ca -0.03 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 2k9x s GLY 29 CO -0.03 -0.53 1.44 -2.08 0.00 0.00 0.00 173.10 171.91 2k9x h VAL 30 N 5.18 1.28 -2.06 1.40 2.07 -2.03 -3.37 116.25 118.71 2k9x h VAL 30 Ca -0.30 -1.57 -0.56 0.00 0.82 0.00 0.00 66.70 65.09 2k9x h VAL 30 Cb 1.19 1.49 -0.40 0.00 -1.52 0.00 0.00 31.29 32.06 2k9x h VAL 30 CO 0.49 0.52 -0.98 0.52 0.02 0.00 0.00 177.57 178.14 2k9x n VAL 31 N -4.10 0.34 0.31 2.57 0.31 -1.26 -4.93 118.33 111.56 2k9x n VAL 31 Ca -0.03 -4.49 0.14 0.00 -0.01 0.00 0.00 64.34 59.95 2k9x n VAL 31 Cb 0.55 -1.67 0.63 0.00 -0.91 0.00 0.00 33.84 32.44 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2k9x h PRO 32 N 3.80 0.00 -0.72 5.55 0.11 -1.87 -3.15 132.00 135.71 2k9x h PRO 32 Ca 0.11 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.33 2k9x h PRO 32 Cb 0.82 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.85 2k9x h PRO 32 CO 0.58 0.00 0.32 1.15 -0.21 0.00 0.00 178.00 179.84 2k9x h THR 33 N 0.00 0.76 -0.45 -1.15 2.02 -1.92 -1.79 112.91 110.38 2k9x h THR 33 Ca 0.00 -0.18 -0.29 0.00 0.77 0.00 0.00 66.41 66.71 2k9x h THR 33 Cb 0.25 0.19 -0.12 0.00 -1.74 0.00 0.00 68.15 66.74 2k9x h THR 33 CO 0.00 0.09 0.34 0.61 0.37 0.00 0.00 175.52 176.93 2k9x n GLY 34 N -1.31 3.88 3.27 2.16 0.00 -1.19 -4.65 105.19 107.34 2k9x n GLY 34 Ca 0.12 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.89 -0.03 0.29 2.61 2.01 -0.67 -5.10 115.64 112.86 2k9x s THR 35 Ca 0.30 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.41 2k9x s THR 35 Cb 0.22 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 72.15 2k9x s THR 35 CO -0.02 0.04 0.15 -0.46 -0.69 0.00 0.00 174.62 173.64 2k9x n ASN 36 N 4.28 2.23 -0.18 3.53 0.23 -1.26 -1.01 115.26 123.08 2k9x n ASN 36 Ca -0.23 -2.10 0.13 0.00 -0.53 0.00 0.00 54.58 51.85 2k9x n ASN 36 Cb 0.55 0.05 0.45 0.00 -2.08 0.00 0.00 39.78 38.75 2k9x n ASN 36 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2k9x h LEU 37 N 0.00 0.49 -1.27 -4.53 6.46 -1.01 0.20 115.31 115.65 2k9x h LEU 37 Ca -0.20 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.66 2k9x h LEU 37 Cb 0.70 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.49 2k9x h LEU 37 CO 0.33 0.27 0.54 0.78 -0.62 0.00 0.00 178.44 179.74 2k9x h ASN 38 N 0.53 0.75 0.51 1.25 -0.26 -1.86 -0.26 115.58 116.23 2k9x h ASN 38 Ca 0.36 0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 55.93 2k9x h ASN 38 Cb 0.67 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 2k9x h ASN 38 CO -0.13 0.46 -0.81 1.23 -1.06 0.00 0.00 177.43 177.13 2k9x h GLY 39 N 0.84 0.25 0.71 2.83 0.00 -1.32 -2.76 103.07 103.61 2k9x h GLY 39 Ca 0.37 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2k9x h GLY 39 CO -0.15 0.35 -0.11 1.41 0.00 0.00 0.00 176.54 178.04 2k9x h LEU 40 N 0.14 -0.27 0.48 3.11 3.38 -0.65 -1.52 115.31 119.98 2k9x h LEU 40 Ca -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2k9x h LEU 40 Cb 1.40 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2k9x h LEU 40 CO 0.12 0.05 -0.39 -0.37 0.09 0.00 0.00 178.44 177.95 2k9x h VAL 41 N -0.61 0.21 -0.30 1.22 -1.51 -1.20 -0.58 116.25 113.48 2k9x h VAL 41 Ca -0.03 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.52 2k9x h VAL 41 Cb 0.44 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 2k9x h VAL 41 CO 0.05 0.00 0.29 -0.61 -1.23 0.00 0.00 177.57 176.07 2k9x h GLN 42 N -0.86 0.00 0.00 5.19 4.15 -1.56 0.18 115.11 122.21 2k9x h GLN 42 Ca -0.05 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 2k9x h GLN 42 Cb 0.74 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2k9x h GLN 42 CO -0.01 0.00 -0.56 1.25 -1.93 0.00 0.00 178.83 177.57 2k9x h LEU 43 N 0.00 0.00 0.03 -2.39 5.85 -0.36 -2.71 115.31 115.74 2k9x h LEU 43 Ca 0.14 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.49 2k9x h LEU 43 Cb 0.72 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2k9x h LEU 43 CO -0.00 0.38 -2.29 0.00 -0.34 0.00 0.00 178.44 176.19 2k9x n LEU 44 N -3.12 2.40 -0.08 2.25 -0.00 0.09 -4.02 117.00 114.53 2k9x n LEU 44 Ca 0.01 0.01 -0.06 0.00 -0.00 0.00 0.00 56.01 55.96 2k9x n LEU 44 Cb 0.70 -0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 43.37 2k9x n LEU 44 CO 0.40 0.83 -0.43 2.29 -0.00 0.00 0.00 177.39 180.47 2k9x n LYS 45 N -3.25 0.47 0.32 1.47 2.85 0.40 -1.95 118.16 118.48 2k9x n LYS 45 Ca -0.39 0.46 0.19 0.00 -1.05 0.00 0.00 58.31 57.53 2k9x n LYS 45 Cb 1.03 -1.64 1.05 0.00 -0.65 0.00 0.00 35.03 34.83 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 -1.00 0.19 0.01 0.58 2.02 -1.63 0.56 112.91 113.64 2k9x h THR 46 Ca -0.02 -0.10 -0.37 0.00 0.77 0.00 0.00 66.41 66.70 2k9x h THR 46 Cb 0.65 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 2k9x h THR 46 CO -0.01 0.01 -2.33 -3.20 0.37 0.00 0.00 175.52 170.36 2k9x n ASN 47 N -3.34 0.92 -2.76 4.18 4.05 -1.05 -4.80 115.26 112.46 2k9x n ASN 47 Ca -0.03 0.01 -0.09 0.00 0.45 0.00 0.00 54.58 54.92 2k9x n ASN 47 Cb 0.11 0.28 0.08 0.00 1.23 0.00 0.00 39.78 41.48 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 -3.01 -1.94 0.08 1.20 4.01 -0.82 -4.97 117.16 111.70 2k9x n TYR 48 Ca -0.36 -2.31 -0.04 0.00 -0.16 0.00 0.00 57.90 55.03 2k9x n TYR 48 Cb 1.08 1.18 0.15 0.00 -0.31 0.00 0.00 39.34 41.44 2k9x n TYR 48 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2k9x h VAL 49 N 2.39 1.35 -0.39 -0.72 3.04 0.44 -3.39 116.25 118.97 2k9x h VAL 49 Ca -0.15 -1.78 -0.13 0.00 -1.01 0.00 0.00 66.70 63.63 2k9x h VAL 49 Cb 1.17 1.85 -0.05 0.00 -2.01 0.00 0.00 31.29 32.25 2k9x h VAL 49 CO 0.13 0.53 -0.12 0.29 -1.01 0.00 0.00 177.57 177.40 2k9x n LYS 50 N -3.94 -1.79 -1.18 4.17 5.02 -1.26 -3.22 118.16 115.95 2k9x n LYS 50 Ca -0.02 0.67 -0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2k9x n LYS 50 Cb 0.56 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 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 -0.20 0.04 -1.97 1.97 4.07 -1.26 -4.84 120.64 118.45 2k9x n GLU 51 Ca -0.06 -0.09 -0.43 0.00 -0.06 0.00 0.00 57.16 56.52 2k9x n GLU 51 Cb 0.50 0.10 -0.03 0.00 -0.06 0.00 0.00 31.44 31.96 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 -2.01 3.55 0.60 5.31 0.52 -1.26 -4.86 118.95 120.80 2k9x s ARG 52 Ca 0.01 1.68 0.31 0.00 -0.52 0.00 0.00 55.73 57.21 2k9x s ARG 52 Cb -0.00 -4.15 1.89 0.00 0.52 0.00 0.00 34.95 33.20 2k9x s ARG 52 CO 0.00 -1.61 2.26 -1.00 0.02 0.00 0.00 175.30 174.98 2k9x h PRO 53 N 12.16 0.00 -0.26 3.54 0.13 -1.95 -0.58 132.00 145.04 2k9x h PRO 53 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2k9x h PRO 53 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k9x h PRO 53 CO 1.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.52 2k9x n ASP 54 N -3.76 1.89 -0.02 1.44 9.92 -1.26 -3.53 116.55 121.23 2k9x n ASP 54 Ca -0.03 -1.84 -0.07 0.00 -0.53 0.00 0.00 54.79 52.32 2k9x n ASP 54 Cb 0.09 -0.17 -0.14 0.00 -0.64 0.00 0.00 41.12 40.26 2k9x n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9x n LEU 55 N 0.49 0.75 -0.11 0.64 -0.00 -0.23 -4.51 117.00 114.04 2k9x n LEU 55 Ca 0.15 0.36 -0.23 0.00 -0.00 0.00 0.00 56.01 56.29 2k9x n LEU 55 Cb 0.34 0.20 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 2k9x n LEU 55 CO 0.11 0.36 -1.22 0.00 -0.00 0.00 0.00 177.39 176.65 2k9x n LEU 56 N -2.98 2.51 -4.66 1.47 -0.00 -1.25 -4.86 117.00 107.22 2k9x n LEU 56 Ca -0.18 0.11 -0.38 0.00 -0.00 0.00 0.00 56.01 55.56 2k9x n LEU 56 Cb 1.03 -0.92 0.05 0.00 -0.00 0.00 0.00 43.42 43.58 2k9x n LEU 56 CO 0.44 0.75 0.70 1.33 -0.00 0.00 0.00 177.39 180.62 2k9x n VAL 57 N -3.71 3.71 0.27 1.47 0.24 -1.23 0.98 118.33 120.06 2k9x n VAL 57 Ca -0.45 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.19 2k9x n VAL 57 Cb 0.94 -1.32 -0.08 0.00 -1.47 0.00 0.00 33.84 31.91 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 0.86 -0.57 0.00 -1.34 1.82 -0.27 -3.33 116.42 113.58 2k9x h ASP 58 Ca -0.49 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 2k9x h ASP 58 Cb 1.34 0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.50 2k9x h ASP 58 CO 0.53 -0.30 0.00 1.67 -1.61 0.00 0.00 179.24 179.54 2k9x n GLN 59 N -5.32 0.00 -0.32 0.28 -0.06 -1.26 -4.77 117.38 105.92 2k9x n GLN 59 Ca -0.11 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 54.93 2k9x n GLN 59 Cb 0.31 0.00 0.18 0.00 -4.06 0.00 0.00 30.24 26.67 2k9x n GLN 59 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2k9x n THR 60 N -1.42 0.95 -1.78 1.69 5.66 -1.26 -4.88 114.28 113.23 2k9x n THR 60 Ca 0.00 -0.59 -0.16 0.00 -3.05 0.00 0.00 64.05 60.25 2k9x n THR 60 Cb 0.00 -0.10 -0.05 0.00 -1.55 0.00 0.00 70.33 68.63 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 0.66 0.85 0.07 1.09 0.00 -1.26 -4.78 105.19 101.82 2k9x n GLY 61 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.33 1.54 -4.47 1.61 -0.06 -1.26 -4.99 117.38 107.42 2k9x n GLN 62 Ca -0.17 0.02 -0.25 0.00 -2.00 0.00 0.00 57.00 54.60 2k9x n GLN 62 Cb 0.56 -1.32 -0.08 0.00 -4.06 0.00 0.00 30.24 25.35 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2k9x s THR 63 N -2.30 0.39 0.12 1.69 -1.32 -1.26 -4.89 115.64 108.06 2k9x s THR 63 Ca -0.10 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.41 2k9x s THR 63 Cb 0.04 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 2k9x s THR 63 CO 0.47 0.00 0.15 -0.76 -2.21 0.00 0.00 174.62 172.27 2k9x s LEU 64 N -3.57 3.96 0.71 9.08 1.43 -1.26 0.34 118.68 129.37 2k9x s LEU 64 Ca 0.27 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.22 2k9x s LEU 64 Cb 0.02 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.68 2k9x s LEU 64 CO 0.18 0.11 1.19 0.00 0.23 0.00 0.00 176.35 178.05 2k9x s ARG 65 N -2.85 2.30 0.47 1.70 1.70 0.28 -4.17 118.95 118.38 2k9x s ARG 65 Ca 0.32 1.68 0.25 0.00 -0.47 0.00 0.00 55.73 57.51 2k9x s ARG 65 Cb -0.11 -1.86 1.29 0.00 -0.57 0.00 0.00 34.95 33.70 2k9x s ARG 65 CO 0.24 -1.70 1.84 -1.35 -1.08 0.00 0.00 175.30 173.25 2k9x h PRO 66 N -0.19 0.20 -1.09 3.89 0.11 -1.95 -1.82 132.00 131.16 2k9x h PRO 66 Ca -0.48 -0.01 0.31 0.00 0.11 0.00 0.00 66.00 65.93 2k9x h PRO 66 Cb 1.29 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 2k9x h PRO 66 CO 0.51 0.13 0.68 0.78 -0.21 0.00 0.00 178.00 179.89 2k9x h GLY 67 N 0.21 1.52 -5.83 -0.55 0.00 -1.90 -3.38 103.07 93.13 2k9x h GLY 67 Ca 0.50 -0.21 -0.64 0.00 0.00 0.00 0.00 47.33 46.99 2k9x h GLY 67 CO -0.13 -0.29 -0.58 -0.42 0.00 0.00 0.00 176.54 175.13 2k9x s ILE 68 N -5.52 4.63 -0.53 2.60 1.01 -0.68 0.82 121.20 123.53 2k9x s ILE 68 Ca -0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 2k9x s ILE 68 Cb 0.28 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.83 2k9x s ILE 68 CO 0.80 0.52 0.47 -0.76 0.00 0.00 0.00 174.94 175.97 2k9x s LEU 69 N -0.07 6.09 0.11 2.97 1.43 0.12 -4.79 118.68 124.55 2k9x s LEU 69 Ca 0.06 -1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 51.08 2k9x s LEU 69 Cb -0.12 -2.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2k9x s LEU 69 CO 0.01 -0.83 1.08 0.68 0.23 0.00 0.00 176.35 177.53 2k9x s VAL 70 N 1.58 4.16 -0.00 -1.59 -7.23 -1.26 -3.28 120.40 112.78 2k9x s VAL 70 Ca 0.03 1.71 0.03 0.00 -1.81 0.00 0.00 61.98 61.95 2k9x s VAL 70 Cb -0.29 -4.10 -0.01 0.00 0.56 0.00 0.00 36.38 32.54 2k9x s VAL 70 CO 0.03 0.22 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.18 2k9x s LEU 71 N 0.26 2.04 -0.22 1.32 1.43 -1.13 -0.58 118.68 121.79 2k9x s LEU 71 Ca 0.52 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2k9x s LEU 71 Cb -0.27 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.44 2k9x s LEU 71 CO 0.32 0.11 -0.10 -0.69 0.23 0.00 0.00 176.35 176.22 2k9x s VAL 72 N -0.31 2.77 -1.26 -1.59 1.01 0.26 -2.52 120.40 118.77 2k9x s VAL 72 Ca 0.03 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2k9x s VAL 72 Cb -0.04 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2k9x s VAL 72 CO -0.00 0.35 0.85 0.59 0.00 0.00 0.00 175.10 176.89 2k9x n ASN 73 N 4.69 -1.65 -3.53 3.32 3.02 -1.19 -2.57 115.26 117.36 2k9x n ASN 73 Ca -0.18 -0.72 -0.20 0.00 -0.03 0.00 0.00 54.58 53.45 2k9x n ASN 73 Cb 0.49 -4.60 0.08 0.00 -0.61 0.00 0.00 39.78 35.14 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 -3.09 -2.99 -3.56 6.41 2.88 -1.26 -5.01 113.62 107.00 2k9x n SER 74 Ca -0.29 -0.64 -0.16 0.00 -1.33 0.00 0.00 58.87 56.45 2k9x n SER 74 Cb 0.67 -4.90 -0.06 0.00 -0.75 0.00 0.00 64.21 59.17 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 1.39 2.08 0.18 0.00 8.00 -1.26 0.90 116.55 127.85 2k9x n ASP 76 Ca -0.16 1.08 0.13 0.00 0.71 0.00 0.00 54.79 56.54 2k9x n ASP 76 Cb 0.57 -1.08 0.33 0.00 -0.02 0.00 0.00 41.12 40.92 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 6.88 1.00 0.06 2.24 0.00 -1.14 -3.24 119.26 125.06 2k9x h ALA 77 Ca -0.45 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 2k9x h ALA 77 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k9x h ALA 77 CO 0.97 0.00 -1.08 1.05 0.00 0.00 0.00 179.25 180.19 2k9x h GLU 78 N 0.00 0.28 -0.16 0.00 9.09 -1.87 0.77 114.58 122.69 2k9x h GLU 78 Ca 0.00 -0.39 -0.07 0.00 0.05 0.00 0.00 59.36 58.95 2k9x h GLU 78 Cb 0.81 0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 28.04 2k9x h GLU 78 CO 0.00 1.13 -0.18 0.28 0.05 0.00 0.00 179.01 180.29 2k9x h VAL 79 N 0.12 1.35 -0.53 -1.06 2.07 -1.94 -3.16 116.25 113.09 2k9x h VAL 79 Ca -0.10 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2k9x h VAL 79 Cb 1.76 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 2k9x h VAL 79 CO 0.18 0.40 0.32 -0.37 0.02 0.00 0.00 177.57 178.12 2k9x h VAL 80 N 0.02 1.15 0.00 2.57 -1.51 -1.65 -3.44 116.25 113.39 2k9x h VAL 80 Ca 0.02 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2k9x h VAL 80 Cb 0.72 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2k9x h VAL 80 CO 0.04 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.15 2k9x n GLY 81 N -1.36 0.07 1.83 5.19 0.00 -1.14 -4.91 105.19 104.87 2k9x n GLY 81 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.33 1.09 -0.02 0.00 0.27 -4.25 105.19 104.61 2k9x n GLY 82 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 2k9x n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2k9x n MET 83 N 0.00 0.00 -0.15 1.61 0.00 -1.26 -4.79 117.12 112.53 2k9x n MET 83 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 57.70 56.40 2k9x n MET 83 Cb 0.00 0.09 0.04 0.00 0.00 0.00 0.00 33.22 33.35 2k9x n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2k9x n ASP 84 N 0.22 1.20 -4.62 3.17 2.03 -1.26 -3.41 116.55 113.87 2k9x n ASP 84 Ca -0.06 -2.12 -0.43 0.00 0.52 0.00 0.00 54.79 52.70 2k9x n ASP 84 Cb 0.87 -0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.11 2.12 0.51 -0.67 6.14 -1.26 -4.69 117.35 118.38 2k9x s TYR 85 Ca 0.10 0.60 -0.21 0.00 0.64 0.00 0.00 57.07 58.19 2k9x s TYR 85 Cb 0.08 -4.05 -0.06 0.00 0.42 0.00 0.00 41.96 38.35 2k9x s TYR 85 CO 0.01 -2.74 1.15 0.14 0.64 0.00 0.00 175.55 174.75 2k9x s VAL 86 N 5.54 3.10 0.27 3.14 -7.23 -1.26 -0.55 120.40 123.40 2k9x s VAL 86 Ca 0.71 0.75 0.01 0.00 -1.81 0.00 0.00 61.98 61.64 2k9x s VAL 86 Cb -0.22 -3.34 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 2k9x s VAL 86 CO 0.30 -0.08 0.44 -0.22 -0.31 0.00 0.00 175.10 175.23 2k9x s LEU 87 N -3.43 4.17 -0.19 1.32 2.96 -0.18 -4.91 118.68 118.41 2k9x s LEU 87 Ca 0.69 0.34 0.13 0.00 -0.22 0.00 0.00 54.13 55.06 2k9x s LEU 87 Cb -0.27 -3.15 0.32 0.00 0.50 0.00 0.00 46.19 43.59 2k9x s LEU 87 CO 0.31 -0.15 1.28 -0.46 -1.32 0.00 0.00 176.35 176.02 2k9x n ASN 88 N -1.27 -0.52 -1.86 3.68 6.94 -1.26 -3.69 115.26 117.27 2k9x n ASN 88 Ca -0.06 -2.10 -0.18 0.00 -0.02 0.00 0.00 54.58 52.22 2k9x n ASN 88 Cb 0.55 0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 38.21 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k9x n ASP 89 N -0.73 -5.21 -2.21 0.53 -0.08 -1.26 -4.80 116.55 102.78 2k9x n ASP 89 Ca -0.14 0.11 -0.02 0.00 -1.51 0.00 0.00 54.79 53.24 2k9x n ASP 89 Cb 0.85 -4.28 0.07 0.00 2.34 0.00 0.00 41.12 40.10 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 -0.95 0.67 3.92 0.27 0.00 -1.26 -2.16 105.19 105.68 2k9x n GLY 90 Ca -0.20 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.64 5.32 -0.05 1.61 2.15 -1.26 -4.86 116.67 118.95 2k9x s ASP 91 Ca 0.06 0.70 -0.02 0.00 0.43 0.00 0.00 52.55 53.72 2k9x s ASP 91 Cb 0.25 -1.55 0.04 0.00 -0.30 0.00 0.00 42.92 41.35 2k9x s ASP 91 CO -0.07 -1.27 0.10 -0.89 -0.17 0.00 0.00 175.17 172.86 2k9x s THR 92 N -3.13 -0.09 -0.04 1.71 2.01 -1.26 -0.38 115.64 114.47 2k9x s THR 92 Ca 0.56 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 2k9x s THR 92 Cb -0.11 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.25 2k9x s THR 92 CO 0.46 0.10 0.08 0.54 -0.69 0.00 0.00 174.62 175.11 2k9x s VAL 93 N 1.39 -0.03 0.01 3.82 0.11 -0.11 -3.16 120.40 122.44 2k9x s VAL 93 Ca -0.06 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2k9x s VAL 93 Cb -0.12 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 2k9x s VAL 93 CO -0.05 0.05 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.07 2k9x s GLU 94 N 0.73 0.73 -0.36 1.54 2.02 -1.05 -3.15 118.70 119.16 2k9x s GLU 94 Ca -0.06 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 2k9x s GLU 94 Cb -0.08 -0.68 0.08 0.00 0.10 0.00 0.00 34.13 33.55 2k9x s GLU 94 CO -0.03 0.17 0.12 -0.06 0.02 0.00 0.00 175.26 175.49 2k9x s PHE 95 N -0.57 3.44 -0.33 1.61 0.08 -1.20 -2.84 117.98 118.17 2k9x s PHE 95 Ca 0.01 -2.10 -0.05 0.00 0.12 0.00 0.00 56.93 54.90 2k9x s PHE 95 Cb -0.06 -2.72 0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2k9x s PHE 95 CO 0.00 -0.88 0.08 0.42 -0.10 0.00 0.00 175.22 174.74 2k9x s ILE 96 N 1.21 3.60 0.34 0.64 1.01 -1.20 -1.44 121.20 125.36 2k9x s ILE 96 Ca 0.02 -1.17 -0.26 0.00 0.00 0.00 0.00 60.65 59.24 2k9x s ILE 96 Cb -0.21 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 2k9x s ILE 96 CO -0.02 -0.15 1.02 -0.94 0.00 0.00 0.00 174.94 174.85 2k9x s SER 97 N 1.37 7.11 0.01 3.58 1.04 -1.21 0.14 113.70 125.74 2k9x s SER 97 Ca -0.02 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2k9x s SER 97 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2k9x s SER 97 CO 0.02 -0.24 0.00 0.41 0.98 0.00 0.00 173.24 174.41 2k9x n THR 98 N 0.52 0.01 -2.04 2.02 -1.04 0.24 -4.81 114.28 109.19 2k9x n THR 98 Ca 0.02 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 2k9x n THR 98 Cb 0.48 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.23 2k9x n THR 98 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2k9x n LEU 99 N -2.64 4.32 -2.25 -4.42 0.00 -1.18 -4.54 117.00 106.29 2k9x n LEU 99 Ca 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 56.01 52.46 2k9x n LEU 99 Cb 0.11 -1.63 0.05 0.00 0.00 0.00 0.00 43.42 41.96 2k9x n LEU 99 CO 0.00 -0.58 0.08 1.57 0.00 0.00 0.00 177.39 178.47 2k9x n HIS 100 N 10.26 1.44 0.09 1.96 -0.00 -1.26 -4.85 115.22 122.86 2k9x n HIS 100 Ca 0.48 -1.90 0.00 0.00 0.46 0.00 0.00 57.72 56.76 2k9x n HIS 100 Cb 0.44 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 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 -0.53 -0.17 0.00 1.57 0.00 -1.26 -5.24 105.19 99.55 2k9x n GLY 101 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93