#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 -1.27 -3.94 6.12 2.88 -1.26 -5.05 113.62 111.11 2k9x n SER 2 Ca 0.00 -2.01 -0.43 0.00 -1.33 0.00 0.00 58.87 55.10 2k9x n SER 2 Cb 0.00 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2k9x n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k9x n ASN 3 N -1.05 5.11 -4.19 -3.46 3.02 -1.26 -4.91 115.26 108.53 2k9x n ASN 3 Ca -0.13 -3.10 -0.40 0.00 -0.03 0.00 0.00 54.58 50.92 2k9x n ASN 3 Cb 0.79 -1.49 -0.08 0.00 -0.61 0.00 0.00 39.78 38.39 2k9x n ASN 3 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2k9x s HIS 4 N 0.52 3.49 0.00 3.10 3.76 -1.26 -4.93 115.29 119.96 2k9x s HIS 4 Ca 0.40 -2.16 0.00 0.00 -0.15 0.00 0.00 55.06 53.15 2k9x s HIS 4 Cb 0.08 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.33 2k9x s HIS 4 CO 0.00 -0.95 0.00 0.09 -0.85 0.00 0.00 174.74 173.03 2k9x n ASN 5 N 4.38 0.00 -1.03 1.40 3.02 -1.26 -4.88 115.26 116.90 2k9x n ASN 5 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k9x n ASN 5 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2k9x n ASN 5 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k9x n HIS 6 N 0.00 -2.84 -4.12 3.10 8.25 -1.26 -4.27 115.22 114.08 2k9x n HIS 6 Ca 0.00 1.52 -0.34 0.00 -0.26 0.00 0.00 57.72 58.63 2k9x n HIS 6 Cb 0.00 -2.62 -0.07 0.00 1.12 0.00 0.00 29.99 28.41 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 -3.08 4.79 -0.58 1.59 -1.09 -1.12 -3.16 121.20 118.56 2k9x s ILE 7 Ca 0.00 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2k9x s ILE 7 Cb 0.00 -3.13 0.15 0.00 -1.58 0.00 0.00 42.46 37.90 2k9x s ILE 7 CO 0.00 0.46 0.40 -0.89 -1.23 0.00 0.00 174.94 173.68 2k9x s THR 8 N -1.10 3.82 -0.37 2.92 2.01 -0.05 -3.65 115.64 119.22 2k9x s THR 8 Ca 0.19 -2.61 -0.02 0.00 0.31 0.00 0.00 61.69 59.57 2k9x s THR 8 Cb -0.12 -3.50 0.09 0.00 0.01 0.00 0.00 72.50 68.98 2k9x s THR 8 CO 0.10 -0.84 0.13 0.54 -0.69 0.00 0.00 174.62 173.85 2k9x s VAL 9 N 0.36 3.05 0.39 3.82 0.11 -0.38 -0.35 120.40 127.40 2k9x s VAL 9 Ca 0.14 -1.92 0.03 0.00 -2.93 0.00 0.00 61.98 57.30 2k9x s VAL 9 Cb -0.21 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.58 2k9x s VAL 9 CO -0.04 -0.52 0.09 0.00 -3.33 0.00 0.00 175.10 171.30 2k9x s GLN 10 N 1.13 1.86 0.30 1.54 0.00 -1.16 0.55 119.66 123.89 2k9x s GLN 10 Ca 0.05 -2.11 0.04 0.00 -0.00 0.00 0.00 55.36 53.35 2k9x s GLN 10 Cb -0.21 -0.79 -0.06 0.00 0.00 0.00 0.00 33.01 31.95 2k9x s GLN 10 CO -0.04 -0.37 0.03 -0.06 0.00 0.00 0.00 175.29 174.86 2k9x s PHE 11 N -3.21 1.90 -0.21 9.60 0.08 -1.24 -3.21 117.98 121.69 2k9x s PHE 11 Ca 0.27 -0.92 -0.17 0.00 0.12 0.00 0.00 56.93 56.22 2k9x s PHE 11 Cb 0.05 -1.20 0.06 0.00 -0.57 0.00 0.00 43.02 41.36 2k9x s PHE 11 CO 0.14 0.03 0.54 0.00 -0.10 0.00 0.00 175.22 175.83 2k9x s ALA 12 N -3.29 -1.38 0.00 5.36 0.00 -1.20 -4.85 121.76 116.40 2k9x s ALA 12 Ca 0.34 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2k9x s ALA 12 Cb 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2k9x s ALA 12 CO 0.14 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2k9x n GLY 13 N 3.29 1.51 0.97 0.00 0.00 -1.26 -3.80 105.19 105.90 2k9x n GLY 13 Ca -0.16 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 4.73 0.00 -0.02 0.00 -1.26 -4.69 105.19 103.96 2k9x n GLY 14 Ca 0.00 -1.44 0.07 0.00 0.00 0.00 0.00 46.02 44.65 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 0.12 0.00 0.00 5.08 -1.85 0.26 114.58 118.19 2k9x h GLU 16 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k9x h GLU 16 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k9x h GLU 16 CO 0.00 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 2k9x n LEU 17 N -4.49 0.00 -0.35 1.33 4.32 -1.26 0.05 117.00 116.59 2k9x n LEU 17 Ca 0.02 0.39 0.02 0.00 -0.02 0.00 0.00 56.01 56.42 2k9x n LEU 17 Cb 0.22 -0.39 0.06 0.00 -1.62 0.00 0.00 43.42 41.69 2k9x n LEU 17 CO 0.35 -0.18 0.51 0.18 -1.22 0.00 0.00 177.39 177.02 2k9x n LEU 18 N -1.39 0.95 0.14 2.23 4.77 0.08 -3.77 117.00 120.01 2k9x n LEU 18 Ca 0.06 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2k9x n LEU 18 Cb 0.15 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2k9x n LEU 18 CO 0.13 0.21 0.00 0.33 -1.33 0.00 0.00 177.39 176.73 2k9x n PHE 19 N -0.06 -2.87 -2.18 -1.77 7.35 -1.13 -3.35 117.46 113.46 2k9x n PHE 19 Ca 0.05 0.71 -0.01 0.00 -0.76 0.00 0.00 57.45 57.44 2k9x n PHE 19 Cb 0.18 1.60 0.01 0.00 0.35 0.00 0.00 39.48 41.61 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 -3.26 -0.98 -3.39 3.13 0.00 -1.13 -4.32 120.51 110.56 2k9x n ALA 20 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2k9x n ALA 20 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.16 -3.61 -3.36 0.00 4.01 0.11 -4.93 118.16 110.21 2k9x n LYS 21 Ca -0.04 0.51 -0.35 0.00 -0.51 0.00 0.00 58.31 57.93 2k9x n LYS 21 Cb 0.47 -5.25 -0.06 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 -6.04 3.95 0.17 1.97 -1.52 -1.24 -4.94 119.66 111.99 2k9x s GLN 22 Ca 0.42 0.46 0.03 0.00 -1.95 0.00 0.00 55.36 54.31 2k9x s GLN 22 Cb -0.22 -2.86 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 2k9x s GLN 22 CO 0.51 0.44 1.38 1.79 -0.25 0.00 0.00 175.29 179.16 2k9x h THR 23 N 2.62 1.50 -1.81 -0.19 1.35 -1.92 -3.40 112.91 111.05 2k9x h THR 23 Ca -0.48 -2.61 0.16 0.00 -0.55 0.00 0.00 66.41 62.93 2k9x h THR 23 Cb 1.19 2.45 -0.18 0.00 -1.73 0.00 0.00 68.15 69.88 2k9x h THR 23 CO 0.66 0.76 0.64 -0.94 -0.25 0.00 0.00 175.52 176.40 2k9x s SER 24 N -6.92 -0.27 0.07 5.36 1.04 -1.26 -3.63 113.70 108.09 2k9x s SER 24 Ca -0.03 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.49 2k9x s SER 24 Cb 0.10 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2k9x s SER 24 CO 0.83 -0.41 -0.07 -0.76 0.98 0.00 0.00 173.24 173.81 2k9x s LEU 25 N -2.09 2.37 -0.06 2.42 1.02 0.19 -4.94 118.68 117.60 2k9x s LEU 25 Ca 0.06 -0.75 0.01 0.00 0.02 0.00 0.00 54.13 53.47 2k9x s LEU 25 Cb -0.01 -0.12 0.02 0.00 0.02 0.00 0.00 46.19 46.10 2k9x s LEU 25 CO -0.06 -0.32 -0.06 -1.10 0.02 0.00 0.00 176.35 174.83 2k9x s GLN 26 N -2.56 1.08 -0.10 1.70 -0.21 -1.25 -1.24 119.66 117.07 2k9x s GLN 26 Ca -0.01 -0.17 -0.01 0.00 0.02 0.00 0.00 55.36 55.19 2k9x s GLN 26 Cb -0.03 -1.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 2k9x s GLN 26 CO -0.02 -0.09 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.51 2k9x s LEU 27 N 1.00 3.27 -0.31 2.90 1.43 -1.24 -4.87 118.68 120.87 2k9x s LEU 27 Ca -0.09 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 2k9x s LEU 27 Cb -0.14 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2k9x s LEU 27 CO -0.00 0.31 0.09 -1.81 0.23 0.00 0.00 176.35 175.17 2k9x s ASP 28 N -0.50 5.17 0.00 2.29 1.11 -1.26 -2.81 116.67 120.67 2k9x s ASP 28 Ca 0.08 -0.80 0.00 0.00 0.18 0.00 0.00 52.55 52.00 2k9x s ASP 28 Cb -0.12 -1.88 0.00 0.00 1.07 0.00 0.00 42.92 41.99 2k9x s ASP 28 CO 0.02 -0.22 0.00 0.61 1.18 0.00 0.00 175.17 176.76 2k9x n GLY 29 N 4.86 6.20 1.47 0.21 0.00 -1.26 -5.10 105.19 111.56 2k9x n GLY 29 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 0.00 -3.11 1.61 0.24 -1.26 -5.02 118.33 110.79 2k9x n VAL 30 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2k9x n VAL 30 Cb 0.00 -0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.24 -0.63 0.84 3.34 0.24 -1.26 -4.98 118.33 113.64 2k9x n VAL 31 Ca 0.00 -2.96 0.01 0.00 -2.04 0.00 0.00 64.34 59.36 2k9x n VAL 31 Cb 0.00 -0.83 0.07 0.00 -1.47 0.00 0.00 33.84 31.61 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2k9x n PRO 32 N 2.10 1.60 -0.00 7.34 -0.04 -1.26 -4.20 135.00 140.54 2k9x n PRO 32 Ca 0.21 -0.52 0.10 0.00 -0.04 0.00 0.00 63.50 63.24 2k9x n PRO 32 Cb 0.54 -1.54 0.52 0.00 -0.04 0.00 0.00 33.50 32.98 2k9x n PRO 32 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k9x h THR 33 N 0.69 0.96 -0.44 0.52 2.02 -1.91 -0.58 112.91 114.17 2k9x h THR 33 Ca 0.00 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 2k9x h THR 33 Cb 0.65 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 2k9x h THR 33 CO 0.07 0.07 0.18 0.61 0.37 0.00 0.00 175.52 176.81 2k9x n GLY 34 N -1.52 2.85 3.29 2.16 0.00 -1.26 -4.72 105.19 105.99 2k9x n GLY 34 Ca 0.06 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.92 1.80 0.38 2.61 2.01 -0.23 -5.07 115.64 115.22 2k9x s THR 35 Ca 0.31 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.88 2k9x s THR 35 Cb 0.25 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2k9x s THR 35 CO 0.08 0.07 0.11 -0.46 -0.69 0.00 0.00 174.62 173.72 2k9x n ASN 36 N 1.34 1.52 -0.13 3.53 0.23 -1.26 -0.60 115.26 119.88 2k9x n ASN 36 Ca -0.18 -2.97 -0.06 0.00 -0.53 0.00 0.00 54.58 50.84 2k9x n ASN 36 Cb 0.53 0.84 0.02 0.00 -2.08 0.00 0.00 39.78 39.09 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 0.29 -1.63 -4.53 6.46 -1.73 0.44 115.31 114.61 2k9x h LEU 37 Ca -0.30 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.57 2k9x h LEU 37 Cb 1.10 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 2k9x h LEU 37 CO 0.48 0.21 0.39 -0.55 -0.62 0.00 0.00 178.44 178.35 2k9x h ASN 38 N 0.41 0.39 0.93 1.25 -1.07 -1.85 0.37 115.58 116.00 2k9x h ASN 38 Ca 0.18 0.01 -0.20 0.00 0.07 0.00 0.00 56.30 56.36 2k9x h ASN 38 Cb 0.09 -0.08 -0.03 0.00 -2.07 0.00 0.00 38.32 36.24 2k9x h ASN 38 CO -0.13 0.24 -0.94 1.23 0.07 0.00 0.00 177.43 177.90 2k9x h GLY 39 N 0.43 0.01 0.64 9.14 0.00 -1.69 -2.94 103.07 108.66 2k9x h GLY 39 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 2k9x h GLY 39 CO -0.07 0.01 -0.13 -2.00 0.00 0.00 0.00 176.54 174.35 2k9x h LEU 40 N 0.00 0.27 0.30 3.11 7.12 0.10 -2.60 115.31 123.61 2k9x h LEU 40 Ca -0.01 -0.53 -0.01 0.00 0.13 0.00 0.00 57.88 57.45 2k9x h LEU 40 Cb 1.66 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2k9x h LEU 40 CO 0.12 0.75 -0.14 -0.37 -0.13 0.00 0.00 178.44 178.67 2k9x h VAL 41 N -0.21 0.73 -0.77 1.05 -1.51 -1.17 -2.56 116.25 111.82 2k9x h VAL 41 Ca 0.01 -0.23 0.18 0.00 -1.23 0.00 0.00 66.70 65.43 2k9x h VAL 41 Cb 0.69 0.86 -0.05 0.00 -2.13 0.00 0.00 31.29 30.66 2k9x h VAL 41 CO 0.03 0.05 0.52 1.56 -1.23 0.00 0.00 177.57 178.50 2k9x h GLN 42 N -0.52 0.28 0.00 5.19 4.20 -1.61 0.38 115.11 123.02 2k9x h GLN 42 Ca -0.04 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2k9x h GLN 42 Cb 0.39 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2k9x h GLN 42 CO 0.07 0.18 -0.26 1.25 -0.67 0.00 0.00 178.83 179.40 2k9x h LEU 43 N 0.29 0.00 0.05 1.46 7.12 -1.08 -0.68 115.31 122.47 2k9x h LEU 43 Ca 0.38 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 58.02 2k9x h LEU 43 Cb 1.06 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.15 2k9x h LEU 43 CO -0.10 0.26 -2.17 0.00 -0.13 0.00 0.00 178.44 176.30 2k9x n LEU 44 N -3.48 2.61 -0.07 2.25 -0.00 0.98 -4.12 117.00 115.19 2k9x n LEU 44 Ca -0.00 0.11 -0.05 0.00 -0.00 0.00 0.00 56.01 56.07 2k9x n LEU 44 Cb 0.43 -0.99 -0.02 0.00 -0.00 0.00 0.00 43.42 42.84 2k9x n LEU 44 CO 0.34 0.80 -0.38 2.29 -0.00 0.00 0.00 177.39 180.43 2k9x n LYS 45 N -3.58 0.43 0.09 1.47 2.85 0.72 -3.19 118.16 116.94 2k9x n LYS 45 Ca -0.40 0.44 0.19 0.00 -1.05 0.00 0.00 58.31 57.49 2k9x n LYS 45 Cb 0.97 -1.55 0.75 0.00 -0.65 0.00 0.00 35.03 34.54 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 -0.91 0.53 0.00 0.58 2.02 -1.32 0.27 112.91 114.08 2k9x h THR 46 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 2k9x h THR 46 Cb 0.56 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2k9x h THR 46 CO 0.00 0.00 -0.88 -1.13 0.37 0.00 0.00 175.52 173.88 2k9x h ASN 47 N 0.00 0.00 0.00 4.18 -1.24 -1.47 -3.46 115.58 113.60 2k9x h ASN 47 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2k9x h ASN 47 Cb 0.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2k9x h ASN 47 CO -0.00 0.67 0.00 0.00 -1.29 0.00 0.00 177.43 176.80 2k9x n TYR 48 N -3.17 0.00 -3.19 0.67 9.36 0.57 -5.04 117.16 116.35 2k9x n TYR 48 Ca -0.02 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.18 2k9x n TYR 48 Cb 0.82 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.73 2k9x n TYR 48 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2k9x n VAL 49 N -1.74 -2.28 0.13 2.97 3.14 0.62 -4.91 118.33 116.25 2k9x n VAL 49 Ca 0.00 0.51 -0.13 0.00 -2.96 0.00 0.00 64.34 61.76 2k9x n VAL 49 Cb 0.00 -3.10 -0.08 0.00 -1.06 0.00 0.00 33.84 29.60 2k9x n VAL 49 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2k9x h LYS 50 N 3.52 -0.33 0.00 1.45 1.57 -1.74 -3.45 116.57 117.59 2k9x h LYS 50 Ca -0.02 0.02 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 2k9x h LYS 50 Cb 1.00 0.08 0.18 0.00 0.08 0.00 0.00 32.23 33.56 2k9x h LYS 50 CO 0.01 -0.02 0.31 -1.91 -0.57 0.00 0.00 179.45 177.27 2k9x n GLU 51 N -5.11 -1.85 -1.58 3.15 4.07 -1.25 -4.90 120.64 113.17 2k9x n GLU 51 Ca -0.09 -1.89 -0.48 0.00 -0.06 0.00 0.00 57.16 54.64 2k9x n GLU 51 Cb 0.25 -1.41 -0.05 0.00 -0.06 0.00 0.00 31.44 30.17 2k9x n GLU 51 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9x n ARG 52 N -4.06 1.76 0.31 5.31 5.12 -1.26 -4.83 116.66 119.01 2k9x n ARG 52 Ca 0.16 0.56 0.18 0.00 -1.93 0.00 0.00 57.85 56.81 2k9x n ARG 52 Cb 0.56 -2.76 1.01 0.00 -1.16 0.00 0.00 32.46 30.11 2k9x n ARG 52 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2k9x h PRO 53 N 11.95 0.00 -0.22 5.56 0.13 -1.91 -0.76 132.00 146.75 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 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 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 -3.54 1.83 0.05 1.44 2.03 -1.26 -3.66 116.55 113.44 2k9x n ASP 54 Ca -0.03 -1.78 0.08 0.00 0.52 0.00 0.00 54.79 53.58 2k9x n ASP 54 Cb 0.10 -0.14 -0.07 0.00 -0.72 0.00 0.00 41.12 40.28 2k9x n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9x n LEU 55 N 0.44 0.57 -0.13 -2.67 -0.00 -0.29 -4.49 117.00 110.42 2k9x n LEU 55 Ca 0.16 0.23 -0.24 0.00 -0.00 0.00 0.00 56.01 56.15 2k9x n LEU 55 Cb 0.34 0.01 -0.11 0.00 -0.00 0.00 0.00 43.42 43.66 2k9x n LEU 55 CO 0.12 -0.05 -1.40 0.00 -0.00 0.00 0.00 177.39 176.06 2k9x n LEU 56 N -2.60 2.43 -4.60 1.47 -0.00 -1.25 -4.88 117.00 107.58 2k9x n LEU 56 Ca -0.04 0.11 -0.37 0.00 -0.00 0.00 0.00 56.01 55.71 2k9x n LEU 56 Cb 0.63 -0.86 0.06 0.00 -0.00 0.00 0.00 43.42 43.25 2k9x n LEU 56 CO 0.42 0.75 0.48 1.33 -0.00 0.00 0.00 177.39 180.37 2k9x n VAL 57 N -3.78 3.54 0.14 1.47 0.24 -1.24 0.78 118.33 119.49 2k9x n VAL 57 Ca -0.50 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.17 2k9x n VAL 57 Cb 0.93 -1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 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 0.34 -0.31 0.00 -1.34 3.58 -0.56 -3.32 116.42 114.80 2k9x h ASP 58 Ca -0.48 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 56.78 2k9x h ASP 58 Cb 1.37 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2k9x h ASP 58 CO 0.50 0.05 0.00 1.67 -2.88 0.00 0.00 179.24 178.57 2k9x n GLN 59 N -5.11 0.00 -0.16 0.28 7.27 -1.26 -4.78 117.38 113.61 2k9x n GLN 59 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.02 2k9x n GLN 59 Cb 0.25 0.00 0.13 0.00 2.41 0.00 0.00 30.24 33.03 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k9x n THR 60 N -1.10 0.44 -1.83 1.69 -2.24 -1.26 -4.89 114.28 105.10 2k9x n THR 60 Ca 0.00 -0.39 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 2k9x n THR 60 Cb 0.00 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.87 1.13 0.06 3.38 0.00 -1.26 -4.80 105.19 104.57 2k9x n GLY 61 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.50 0.34 -4.22 1.61 7.27 -1.26 -4.99 117.38 113.62 2k9x n GLN 62 Ca -0.21 0.07 -0.27 0.00 0.07 0.00 0.00 57.00 56.67 2k9x n GLN 62 Cb 0.65 -1.26 -0.06 0.00 2.41 0.00 0.00 30.24 31.99 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 -2.87 0.00 -4.20 1.69 -2.24 -1.26 -4.73 114.28 100.68 2k9x n THR 63 Ca -0.23 -2.01 -0.26 0.00 -2.27 0.00 0.00 64.05 59.29 2k9x n THR 63 Cb 0.74 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.35 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 3.39 0.61 3.22 1.43 -1.26 0.03 118.68 126.11 2k9x s LEU 64 Ca 0.02 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 2k9x s LEU 64 Cb 0.00 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2k9x s LEU 64 CO 0.02 0.06 1.30 0.00 0.23 0.00 0.00 176.35 177.96 2k9x s ARG 65 N -3.15 2.76 0.48 1.70 1.04 0.23 -4.17 118.95 117.85 2k9x s ARG 65 Ca 0.29 2.09 0.27 0.00 -1.04 0.00 0.00 55.73 57.33 2k9x s ARG 65 Cb -0.09 -1.97 1.33 0.00 -2.04 0.00 0.00 34.95 32.18 2k9x s ARG 65 CO 0.20 -1.44 1.84 -1.35 -0.04 0.00 0.00 175.30 174.51 2k9x h PRO 66 N 0.84 0.17 -1.09 3.89 0.11 -1.95 -1.75 132.00 132.22 2k9x h PRO 66 Ca -0.51 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 65.89 2k9x h PRO 66 Cb 1.32 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 2k9x h PRO 66 CO 0.54 0.11 0.70 0.78 -0.21 0.00 0.00 178.00 179.93 2k9x h GLY 67 N 0.17 1.17 -5.12 -0.55 0.00 -1.90 -3.39 103.07 93.45 2k9x h GLY 67 Ca 0.50 -0.18 -0.60 0.00 0.00 0.00 0.00 47.33 47.04 2k9x h GLY 67 CO -0.10 -0.17 -0.19 -0.42 0.00 0.00 0.00 176.54 175.65 2k9x s ILE 68 N -5.43 5.06 -0.43 2.60 1.01 -0.66 -0.23 121.20 123.12 2k9x s ILE 68 Ca -0.08 0.85 -0.13 0.00 0.00 0.00 0.00 60.65 61.29 2k9x s ILE 68 Cb 0.26 -3.73 0.06 0.00 0.01 0.00 0.00 42.46 39.06 2k9x s ILE 68 CO 0.80 0.53 0.30 -0.22 0.00 0.00 0.00 174.94 176.35 2k9x s LEU 69 N -0.75 5.21 0.02 2.97 2.96 0.64 -4.88 118.68 124.86 2k9x s LEU 69 Ca 0.24 -1.24 -0.25 0.00 -0.22 0.00 0.00 54.13 52.66 2k9x s LEU 69 Cb -0.16 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2k9x s LEU 69 CO 0.13 -0.53 0.76 0.68 -1.32 0.00 0.00 176.35 176.07 2k9x s VAL 70 N 1.57 4.81 0.00 1.68 -7.23 -1.26 -3.36 120.40 116.61 2k9x s VAL 70 Ca 0.03 1.61 0.02 0.00 -1.81 0.00 0.00 61.98 61.83 2k9x s VAL 70 Cb -0.22 -4.11 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 2k9x s VAL 70 CO 0.06 0.33 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.35 2k9x s LEU 71 N 0.18 2.04 -0.17 1.32 1.43 -1.18 -0.84 118.68 121.47 2k9x s LEU 71 Ca 0.39 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2k9x s LEU 71 Cb -0.20 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.69 2k9x s LEU 71 CO 0.22 0.05 -0.19 -0.69 0.23 0.00 0.00 176.35 175.97 2k9x s VAL 72 N -0.31 2.22 -1.29 -1.59 1.01 0.28 -2.29 120.40 118.42 2k9x s VAL 72 Ca 0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2k9x s VAL 72 Cb -0.04 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.43 2k9x s VAL 72 CO -0.00 0.53 1.07 0.59 0.00 0.00 0.00 175.10 177.29 2k9x n ASN 73 N 4.43 -4.08 -3.50 3.32 3.02 -1.16 -2.26 115.26 115.03 2k9x n ASN 73 Ca -0.20 -0.60 -0.23 0.00 -0.03 0.00 0.00 54.58 53.51 2k9x n ASN 73 Cb 0.51 -5.00 0.08 0.00 -0.61 0.00 0.00 39.78 34.75 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 -3.07 -6.32 -3.65 6.41 2.88 -1.26 -5.00 113.62 103.62 2k9x n SER 74 Ca -0.14 -0.51 -0.13 0.00 -1.33 0.00 0.00 58.87 56.75 2k9x n SER 74 Cb 0.62 -4.96 -0.06 0.00 -0.75 0.00 0.00 64.21 59.05 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 0.58 2.17 0.18 0.00 8.00 -1.26 0.98 116.55 127.21 2k9x n ASP 76 Ca -0.19 1.09 0.12 0.00 0.71 0.00 0.00 54.79 56.53 2k9x n ASP 76 Cb 0.59 -1.11 0.19 0.00 -0.02 0.00 0.00 41.12 40.77 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 6.71 0.93 0.00 2.24 0.00 -1.28 -3.26 119.26 124.60 2k9x h ALA 77 Ca -0.46 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 2k9x h ALA 77 Cb 1.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2k9x h ALA 77 CO 0.94 0.00 -0.85 0.93 0.00 0.00 0.00 179.25 180.27 2k9x h GLU 78 N 0.00 0.00 0.07 0.00 4.39 -1.88 0.31 114.58 117.47 2k9x h GLU 78 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k9x h GLU 78 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2k9x h GLU 78 CO 0.00 0.85 -0.04 0.28 -1.16 0.00 0.00 179.01 178.94 2k9x h VAL 79 N 0.00 1.09 -0.56 3.13 2.07 -1.94 -3.07 116.25 116.98 2k9x h VAL 79 Ca -0.01 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2k9x h VAL 79 Cb 1.53 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2k9x h VAL 79 CO 0.11 0.14 0.29 -0.37 0.02 0.00 0.00 177.57 177.77 2k9x h VAL 80 N -0.36 1.18 0.00 2.57 -1.51 -1.67 -3.45 116.25 113.00 2k9x h VAL 80 Ca -0.01 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2k9x h VAL 80 Cb 0.31 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2k9x h VAL 80 CO 0.02 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.16 2k9x n GLY 81 N -1.25 -0.03 1.15 5.19 0.00 -1.16 -4.91 105.19 104.19 2k9x n GLY 81 Ca 0.05 -0.01 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 -0.87 2.56 0.85 -0.02 0.00 0.11 -4.38 105.19 103.44 2k9x n GLY 82 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.17 1.61 0.00 -1.26 -4.81 117.12 111.49 2k9x n MET 83 Ca 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 57.70 56.48 2k9x n MET 83 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 33.22 32.98 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 0.16 0.65 -4.49 3.17 2.03 -1.26 -4.32 116.55 112.49 2k9x n ASP 84 Ca 0.01 -1.99 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 2k9x n ASP 84 Cb 0.83 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.00 2.57 0.41 -0.67 5.04 -1.26 -4.84 117.35 118.60 2k9x s TYR 85 Ca 0.23 -0.49 -0.27 0.00 -2.44 0.00 0.00 57.07 54.10 2k9x s TYR 85 Cb 0.26 -4.44 -0.09 0.00 0.35 0.00 0.00 41.96 38.04 2k9x s TYR 85 CO -0.11 -1.80 1.42 0.14 -1.34 0.00 0.00 175.55 173.86 2k9x s VAL 86 N 4.56 2.18 0.31 3.14 -7.23 -1.26 -2.36 120.40 119.74 2k9x s VAL 86 Ca 0.29 0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.66 2k9x s VAL 86 Cb -0.11 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 2k9x s VAL 86 CO 0.08 0.03 0.48 -0.76 -0.31 0.00 0.00 175.10 174.62 2k9x s LEU 87 N -2.39 4.12 -0.04 1.32 1.02 0.23 -4.94 118.68 118.00 2k9x s LEU 87 Ca 0.57 0.29 0.04 0.00 0.02 0.00 0.00 54.13 55.04 2k9x s LEU 87 Cb -0.44 -3.12 0.08 0.00 0.02 0.00 0.00 46.19 42.73 2k9x s LEU 87 CO 0.58 -0.22 1.07 -3.20 0.02 0.00 0.00 176.35 174.60 2k9x n ASN 88 N -1.64 -0.87 -1.33 2.29 5.15 -1.26 -3.56 115.26 114.04 2k9x n ASN 88 Ca -0.06 -2.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.89 2k9x n ASN 88 Cb 0.57 0.29 0.00 0.00 -0.53 0.00 0.00 39.78 40.10 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k9x n ASP 89 N -0.13 -5.80 -0.02 1.20 -0.08 -1.26 -4.86 116.55 105.58 2k9x n ASP 89 Ca -0.24 0.75 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 2k9x n ASP 89 Cb 0.76 -3.16 0.00 0.00 2.34 0.00 0.00 41.12 41.06 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 0.98 1.49 3.96 0.27 0.00 -1.19 -4.83 105.19 105.87 2k9x n GLY 90 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.14 5.64 -0.02 1.61 2.15 -1.24 -4.95 116.67 117.74 2k9x s ASP 91 Ca 0.00 -0.39 0.01 0.00 0.43 0.00 0.00 52.55 52.60 2k9x s ASP 91 Cb 0.00 -0.91 0.01 0.00 -0.30 0.00 0.00 42.92 41.72 2k9x s ASP 91 CO 0.00 -0.56 -0.02 -0.89 -0.17 0.00 0.00 175.17 173.53 2k9x s THR 92 N -2.29 0.23 -0.03 1.71 2.01 -1.26 -0.87 115.64 115.13 2k9x s THR 92 Ca 0.48 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 2k9x s THR 92 Cb -0.08 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.18 2k9x s THR 92 CO 0.31 0.12 0.07 0.54 -0.69 0.00 0.00 174.62 174.97 2k9x s VAL 93 N 0.55 -0.02 0.07 3.82 0.11 0.52 -2.97 120.40 122.48 2k9x s VAL 93 Ca -0.06 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 2k9x s VAL 93 Cb -0.09 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2k9x s VAL 93 CO -0.01 0.03 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.03 2k9x s GLU 94 N 0.41 0.83 -0.27 1.54 2.02 -0.97 -2.99 118.70 119.27 2k9x s GLU 94 Ca -0.03 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 2k9x s GLU 94 Cb -0.04 -0.84 0.08 0.00 0.10 0.00 0.00 34.13 33.42 2k9x s GLU 94 CO -0.01 0.19 0.05 -0.06 0.02 0.00 0.00 175.26 175.44 2k9x s PHE 95 N -1.30 1.82 -0.22 1.61 0.08 -1.20 -3.10 117.98 115.67 2k9x s PHE 95 Ca -0.01 -1.61 0.01 0.00 0.12 0.00 0.00 56.93 55.44 2k9x s PHE 95 Cb -0.10 -1.60 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2k9x s PHE 95 CO 0.02 -0.80 -0.14 0.42 -0.10 0.00 0.00 175.22 174.63 2k9x s ILE 96 N 1.58 2.27 0.22 0.64 1.01 -1.21 -3.23 121.20 122.48 2k9x s ILE 96 Ca 0.04 -1.21 -0.28 0.00 0.00 0.00 0.00 60.65 59.20 2k9x s ILE 96 Cb -0.18 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 2k9x s ILE 96 CO -0.16 0.26 0.89 -0.55 0.00 0.00 0.00 174.94 175.38 2k9x s SER 97 N 1.23 7.55 0.01 3.58 0.15 -1.25 -0.26 113.70 124.70 2k9x s SER 97 Ca -0.01 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2k9x s SER 97 Cb -0.16 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2k9x s SER 97 CO -0.08 0.16 0.00 0.35 1.20 0.00 0.00 173.24 174.86 2k9x n THR 98 N 1.44 0.02 -2.46 6.45 -2.24 0.69 -4.73 114.28 113.45 2k9x n THR 98 Ca -0.03 0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 2k9x n THR 98 Cb 0.48 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 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 -5.44 3.19 -0.03 3.22 2.96 -1.17 -4.88 118.68 116.53 2k9x s LEU 99 Ca 0.00 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 2k9x s LEU 99 Cb 0.00 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.06 2k9x s LEU 99 CO 0.00 -1.93 0.60 -0.74 -1.32 0.00 0.00 176.35 172.96 2k9x h HIS 100 N 10.89 -0.46 0.00 5.38 -0.00 -1.94 -3.43 115.15 125.59 2k9x h HIS 100 Ca -0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 2k9x h HIS 100 Cb 1.07 0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 2k9x h HIS 100 CO 1.12 -0.28 0.00 0.41 -0.00 0.00 0.00 177.93 179.18 2k9x n GLY 101 N 0.44 2.05 0.00 5.26 0.00 -1.26 -5.13 105.19 106.55 2k9x n GLY 101 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93