#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 -0.93 -0.13 6.12 1.04 -1.26 -5.05 113.70 113.48 2k9x s SER 2 Ca 0.00 0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.75 2k9x s SER 2 Cb 0.00 1.75 -0.25 0.00 0.10 0.00 0.00 66.02 67.62 2k9x s SER 2 CO 0.00 -0.17 0.47 0.78 0.98 0.00 0.00 173.24 175.30 2k9x h ASN 3 N 7.94 0.26 -3.48 7.02 2.35 -2.06 -3.51 115.58 124.10 2k9x h ASN 3 Ca -0.16 -0.79 0.31 0.00 -0.55 0.00 0.00 56.30 55.11 2k9x h ASN 3 Cb 1.17 -0.08 -0.10 0.00 0.05 0.00 0.00 38.32 39.36 2k9x h ASN 3 CO 0.07 1.56 -0.56 1.41 -1.65 0.00 0.00 177.43 178.26 2k9x n HIS 4 N -4.07 -2.97 -3.29 1.19 8.25 -1.26 -4.94 115.22 108.13 2k9x n HIS 4 Ca -0.26 1.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.71 2k9x n HIS 4 Cb 0.82 -2.70 0.00 0.00 1.12 0.00 0.00 29.99 29.24 2k9x n HIS 4 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k9x n ASN 5 N -3.77 0.64 -0.98 0.41 4.13 -1.26 -4.72 115.26 109.72 2k9x n ASN 5 Ca -0.01 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.96 2k9x n ASN 5 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 2k9x n ASN 5 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2k9x n HIS 6 N 0.00 -1.91 -2.86 3.10 8.25 -1.26 -4.67 115.22 115.87 2k9x n HIS 6 Ca 0.00 1.10 -0.36 0.00 -0.26 0.00 0.00 57.72 58.20 2k9x n HIS 6 Cb 0.00 -2.56 -0.06 0.00 1.12 0.00 0.00 29.99 28.49 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 -0.59 4.32 -0.42 1.59 -1.09 -1.21 -3.95 121.20 119.86 2k9x s ILE 7 Ca 0.00 1.64 -0.13 0.00 -2.23 0.00 0.00 60.65 59.93 2k9x s ILE 7 Cb 0.00 -3.90 0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2k9x s ILE 7 CO 0.00 0.06 0.30 -0.89 -1.23 0.00 0.00 174.94 173.18 2k9x s THR 8 N -1.71 4.90 -0.23 2.92 2.01 0.87 -3.83 115.64 120.58 2k9x s THR 8 Ca 0.51 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 2k9x s THR 8 Cb -0.16 -3.85 0.07 0.00 0.01 0.00 0.00 72.50 68.57 2k9x s THR 8 CO 0.21 -0.42 0.04 0.54 -0.69 0.00 0.00 174.62 174.30 2k9x s VAL 9 N 1.59 0.71 0.16 3.82 0.11 -1.02 -0.38 120.40 125.39 2k9x s VAL 9 Ca 0.04 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 2k9x s VAL 9 Cb -0.22 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 2k9x s VAL 9 CO 0.07 -0.31 0.02 0.00 -3.33 0.00 0.00 175.10 171.55 2k9x s GLN 10 N 1.76 1.05 0.09 1.54 0.00 -1.15 -0.29 119.66 122.66 2k9x s GLN 10 Ca 0.01 -1.50 0.07 0.00 -0.00 0.00 0.00 55.36 53.93 2k9x s GLN 10 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 33.01 32.70 2k9x s GLN 10 CO -0.12 -0.17 -0.09 -0.06 0.00 0.00 0.00 175.29 174.84 2k9x s PHE 11 N -3.78 2.76 -0.02 9.60 0.08 -0.98 -3.31 117.98 122.32 2k9x s PHE 11 Ca 0.24 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 2k9x s PHE 11 Cb 0.07 -1.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2k9x s PHE 11 CO 0.03 0.42 0.04 0.00 -0.10 0.00 0.00 175.22 175.61 2k9x s ALA 12 N -1.20 -0.03 0.00 5.36 0.00 -1.19 -4.72 121.76 119.99 2k9x s ALA 12 Ca 0.21 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2k9x s ALA 12 Cb -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2k9x s ALA 12 CO 0.13 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2k9x n GLY 13 N 3.57 1.30 0.75 0.00 0.00 -1.26 -3.93 105.19 105.63 2k9x n GLY 13 Ca -0.19 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 4.83 0.01 -0.02 0.00 -1.26 -4.67 105.19 104.07 2k9x n GLY 14 Ca 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.77 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 0.05 0.00 0.00 5.08 -1.84 0.62 114.58 118.49 2k9x h GLU 16 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9x h GLU 16 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k9x h GLU 16 CO 0.00 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 2k9x n LEU 17 N -4.49 0.00 0.00 1.33 4.32 -1.26 -0.38 117.00 116.52 2k9x n LEU 17 Ca 0.02 0.22 0.03 0.00 -0.02 0.00 0.00 56.01 56.26 2k9x n LEU 17 Cb 0.25 -0.22 0.18 0.00 -1.62 0.00 0.00 43.42 42.00 2k9x n LEU 17 CO 0.35 -0.11 0.55 0.18 -1.22 0.00 0.00 177.39 177.14 2k9x n LEU 18 N -1.22 0.00 0.10 2.23 4.77 0.21 -4.41 117.00 118.67 2k9x n LEU 18 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2k9x n LEU 18 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2k9x n LEU 18 CO 0.11 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.50 2k9x n PHE 19 N -0.61 -2.47 -2.49 -1.77 7.35 -1.16 -4.30 117.46 112.01 2k9x n PHE 19 Ca 0.05 0.53 -0.01 0.00 -0.76 0.00 0.00 57.45 57.26 2k9x n PHE 19 Cb 0.02 1.43 0.04 0.00 0.35 0.00 0.00 39.48 41.33 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 -2.99 -0.00 -3.32 3.13 0.00 -1.19 -4.72 120.51 111.41 2k9x n ALA 20 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.82 2k9x n ALA 20 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.56 -3.91 -1.11 0.00 4.01 0.49 -4.95 118.16 112.13 2k9x n LYS 21 Ca -0.07 0.59 -0.21 0.00 -0.51 0.00 0.00 58.31 58.10 2k9x n LYS 21 Cb 0.63 -5.34 0.16 0.00 -0.51 0.00 0.00 35.03 29.96 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 -3.87 -1.52 0.00 1.97 1.13 -1.23 -4.93 117.38 108.92 2k9x n GLN 22 Ca -0.03 -1.37 0.00 0.00 -1.94 0.00 0.00 57.00 53.66 2k9x n GLN 22 Cb 0.56 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.87 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 -3.63 0.00 -4.21 5.09 -2.24 -1.26 -4.73 114.28 103.30 2k9x n THR 23 Ca 0.11 0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.84 2k9x n THR 23 Cb 0.41 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.16 1.09 0.04 3.42 1.04 -1.26 -2.33 113.70 114.54 2k9x s SER 24 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2k9x s SER 24 Cb 0.00 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2k9x s SER 24 CO 0.00 -0.55 -0.04 -0.76 0.98 0.00 0.00 173.24 172.87 2k9x s LEU 25 N -3.11 2.38 -0.06 2.42 1.43 0.61 -4.96 118.68 117.38 2k9x s LEU 25 Ca 0.20 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2k9x s LEU 25 Cb 0.06 0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.39 2k9x s LEU 25 CO 0.01 -0.44 -0.07 -1.10 0.23 0.00 0.00 176.35 174.98 2k9x s GLN 26 N -2.82 1.16 -0.13 1.70 -0.21 -1.25 -2.43 119.66 115.68 2k9x s GLN 26 Ca -0.02 -0.20 -0.06 0.00 0.02 0.00 0.00 55.36 55.10 2k9x s GLN 26 Cb -0.00 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.85 2k9x s GLN 26 CO -0.05 -0.09 0.08 -0.51 -2.12 0.00 0.00 175.29 172.60 2k9x s LEU 27 N 1.02 4.02 -0.08 2.90 1.43 -1.25 -4.83 118.68 121.89 2k9x s LEU 27 Ca -0.09 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2k9x s LEU 27 Cb -0.14 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2k9x s LEU 27 CO -0.00 0.32 -0.10 -0.62 0.23 0.00 0.00 176.35 176.18 2k9x s ASP 28 N -0.51 1.78 -1.01 2.29 -1.08 -1.26 -3.31 116.67 113.57 2k9x s ASP 28 Ca 0.11 -0.27 -0.01 0.00 -0.52 0.00 0.00 52.55 51.85 2k9x s ASP 28 Cb -0.12 -0.77 0.00 0.00 -1.46 0.00 0.00 42.92 40.57 2k9x s ASP 28 CO 0.02 -0.03 0.85 0.61 0.52 0.00 0.00 175.17 177.14 2k9x n GLY 29 N 4.21 -0.23 2.23 2.66 0.00 -1.26 -4.96 105.19 107.83 2k9x n GLY 29 Ca -0.20 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2k9x n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k9x n VAL 30 N -3.73 2.34 -3.28 1.61 0.31 -1.26 -4.97 118.33 109.35 2k9x n VAL 30 Ca -0.21 -4.28 -0.11 0.00 -0.01 0.00 0.00 64.34 59.73 2k9x n VAL 30 Cb 0.63 -0.94 0.02 0.00 -0.91 0.00 0.00 33.84 32.65 2k9x n VAL 30 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2k9x n VAL 31 N -0.62 -8.56 0.52 2.52 0.31 -1.26 -4.89 118.33 106.35 2k9x n VAL 31 Ca 0.39 -0.58 0.11 0.00 -0.01 0.00 0.00 64.34 64.24 2k9x n VAL 31 Cb 0.87 -6.02 0.43 0.00 -0.91 0.00 0.00 33.84 28.21 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2k9x n PRO 32 N -2.55 0.12 -0.10 5.55 -0.04 -1.26 -3.58 135.00 133.14 2k9x n PRO 32 Ca -0.07 0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2k9x n PRO 32 Cb 0.56 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2k9x n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k9x n THR 33 N -1.91 1.49 -1.20 0.52 -1.04 -1.26 -3.11 114.28 107.76 2k9x n THR 33 Ca 0.03 0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.90 2k9x n THR 33 Cb 0.24 -2.25 -0.09 0.00 -1.82 0.00 0.00 70.33 66.41 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 1.46 3.72 3.28 3.41 0.00 -1.25 -4.76 105.19 111.05 2k9x n GLY 34 Ca -0.21 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.90 -0.01 0.29 2.61 2.01 -1.23 -5.02 115.64 113.38 2k9x s THR 35 Ca 0.57 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.62 2k9x s THR 35 Cb 0.33 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 72.28 2k9x s THR 35 CO -0.11 0.01 0.17 -0.46 -0.69 0.00 0.00 174.62 173.55 2k9x n ASN 36 N 3.32 2.09 -0.03 3.53 0.23 -1.26 -2.99 115.26 120.15 2k9x n ASN 36 Ca -0.17 -2.03 -0.09 0.00 -0.53 0.00 0.00 54.58 51.76 2k9x n ASN 36 Cb 0.56 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.25 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 -0.05 -1.81 -4.53 6.46 -1.27 0.47 115.31 114.59 2k9x h LEU 37 Ca -0.19 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.67 2k9x h LEU 37 Cb 0.67 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2k9x h LEU 37 CO 0.30 -0.00 0.26 -0.55 -0.62 0.00 0.00 178.44 177.84 2k9x h ASN 38 N 0.06 0.21 0.81 1.25 -1.07 -1.78 0.32 115.58 115.37 2k9x h ASN 38 Ca 0.08 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.21 2k9x h ASN 38 Cb 0.09 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.28 2k9x h ASN 38 CO -0.12 0.14 -1.07 1.23 0.07 0.00 0.00 177.43 177.67 2k9x h GLY 39 N 0.24 0.14 0.81 9.14 0.00 -1.62 -3.03 103.07 108.75 2k9x h GLY 39 Ca 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2k9x h GLY 39 CO -0.03 0.31 -0.07 1.41 0.00 0.00 0.00 176.54 178.16 2k9x h LEU 40 N 0.04 -0.16 0.39 3.11 -0.00 0.19 -2.05 115.31 116.83 2k9x h LEU 40 Ca -0.06 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2k9x h LEU 40 Cb 1.81 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 42.49 2k9x h LEU 40 CO 0.16 0.06 -0.33 -0.37 -0.00 0.00 0.00 178.44 177.96 2k9x h VAL 41 N -0.38 0.32 -0.84 1.22 -1.51 -1.29 -1.63 116.25 112.15 2k9x h VAL 41 Ca -0.02 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.70 2k9x h VAL 41 Cb 0.30 0.32 -0.03 0.00 -2.13 0.00 0.00 31.29 29.75 2k9x h VAL 41 CO 0.03 0.00 0.61 -0.61 -1.23 0.00 0.00 177.57 176.38 2k9x h GLN 42 N -0.72 0.00 0.00 5.19 5.75 -1.55 0.36 115.11 124.13 2k9x h GLN 42 Ca -0.03 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.33 2k9x h GLN 42 Cb 0.63 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 2k9x h GLN 42 CO -0.03 0.00 -0.65 1.25 -2.65 0.00 0.00 178.83 176.75 2k9x h LEU 43 N 0.00 0.00 0.04 -2.39 7.12 -0.56 -2.47 115.31 117.05 2k9x h LEU 43 Ca 0.40 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 58.05 2k9x h LEU 43 Cb 1.63 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.70 2k9x h LEU 43 CO -0.00 0.65 -2.22 0.00 -0.13 0.00 0.00 178.44 176.74 2k9x n LEU 44 N -3.52 2.00 -0.05 2.25 -0.00 0.88 -3.95 117.00 114.60 2k9x n LEU 44 Ca -0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 56.01 56.05 2k9x n LEU 44 Cb 0.70 -0.54 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 2k9x n LEU 44 CO 0.42 0.75 -0.18 0.07 -0.00 0.00 0.00 177.39 178.45 2k9x h LYS 45 N 0.02 0.00 -0.04 1.47 2.10 -0.61 -0.42 116.57 119.08 2k9x h LYS 45 Ca -0.49 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2k9x h LYS 45 Cb 2.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.35 2k9x h LYS 45 CO 0.01 0.00 0.08 1.15 -2.00 0.00 0.00 179.45 178.69 2k9x h THR 46 N -0.86 0.29 0.04 0.07 2.02 -1.61 0.59 112.91 113.45 2k9x h THR 46 Ca 0.00 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.80 2k9x h THR 46 Cb 0.26 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2k9x h THR 46 CO 0.00 0.00 -2.30 -3.20 0.37 0.00 0.00 175.52 170.39 2k9x n ASN 47 N -3.50 1.89 -2.95 4.18 2.85 -1.20 -4.79 115.26 111.75 2k9x n ASN 47 Ca -0.02 -0.01 -0.13 0.00 -0.11 0.00 0.00 54.58 54.31 2k9x n ASN 47 Cb 0.16 -0.47 0.03 0.00 1.24 0.00 0.00 39.78 40.75 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 -3.30 -1.37 0.08 1.20 4.01 -0.19 -4.97 117.16 112.62 2k9x n TYR 48 Ca -0.40 -2.94 -0.21 0.00 -0.16 0.00 0.00 57.90 54.19 2k9x n TYR 48 Cb 1.02 0.63 -0.14 0.00 -0.31 0.00 0.00 39.34 40.54 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 2.04 1.39 -0.37 -0.72 3.04 0.48 -3.41 116.25 118.69 2k9x h VAL 49 Ca -0.01 -2.49 -0.16 0.00 -1.01 0.00 0.00 66.70 63.04 2k9x h VAL 49 Cb 1.04 2.95 -0.06 0.00 -2.01 0.00 0.00 31.29 33.21 2k9x h VAL 49 CO 0.31 0.73 -0.14 0.29 -1.01 0.00 0.00 177.57 177.74 2k9x n LYS 50 N -3.96 -1.60 -0.11 4.17 5.02 -1.26 -3.81 118.16 116.61 2k9x n LYS 50 Ca -0.14 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2k9x n LYS 50 Cb 0.91 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.85 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 -0.66 0.00 -2.89 1.97 4.07 -1.26 -4.70 120.64 117.17 2k9x n GLU 51 Ca -0.08 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.59 2k9x n GLU 51 Cb 0.52 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.85 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 0.76 3.39 0.62 5.31 1.81 -1.26 -4.91 118.95 124.67 2k9x s ARG 52 Ca 0.00 -0.15 0.35 0.00 -1.72 0.00 0.00 55.73 54.21 2k9x s ARG 52 Cb 0.00 -3.99 2.03 0.00 -0.45 0.00 0.00 34.95 32.54 2k9x s ARG 52 CO 0.00 -1.29 2.27 -1.00 -0.68 0.00 0.00 175.30 174.60 2k9x h PRO 53 N 9.13 0.00 -0.32 3.54 0.13 -1.96 -0.49 132.00 142.04 2k9x h PRO 53 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k9x h PRO 53 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k9x h PRO 53 CO 1.03 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.55 2k9x n ASP 54 N -3.53 1.99 0.07 1.44 8.00 -1.26 -3.56 116.55 119.69 2k9x n ASP 54 Ca -0.03 -1.91 0.10 0.00 0.71 0.00 0.00 54.79 53.67 2k9x n ASP 54 Cb 0.11 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 2k9x n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9x n LEU 55 N 0.56 0.63 -0.09 0.64 -0.00 -0.19 -4.53 117.00 114.01 2k9x n LEU 55 Ca 0.14 0.24 -0.17 0.00 -0.00 0.00 0.00 56.01 56.23 2k9x n LEU 55 Cb 0.34 -0.03 -0.07 0.00 -0.00 0.00 0.00 43.42 43.65 2k9x n LEU 55 CO 0.10 -0.11 -1.11 0.00 -0.00 0.00 0.00 177.39 176.27 2k9x n LEU 56 N -2.58 2.04 -4.56 1.47 -0.00 -1.25 -4.93 117.00 107.19 2k9x n LEU 56 Ca -0.02 0.09 -0.38 0.00 -0.00 0.00 0.00 56.01 55.70 2k9x n LEU 56 Cb 0.58 -0.57 0.05 0.00 -0.00 0.00 0.00 43.42 43.47 2k9x n LEU 56 CO 0.42 0.57 0.36 1.33 -0.00 0.00 0.00 177.39 180.06 2k9x n VAL 57 N -3.47 3.19 0.32 1.47 0.24 -1.23 0.76 118.33 119.60 2k9x n VAL 57 Ca -0.34 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.33 2k9x n VAL 57 Cb 0.79 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.36 -0.71 0.00 -1.34 1.82 -1.51 -3.30 116.42 111.73 2k9x h ASP 58 Ca -0.47 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2k9x h ASP 58 Cb 1.38 0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.57 2k9x h ASP 58 CO 0.49 -0.39 0.00 1.67 -1.61 0.00 0.00 179.24 179.41 2k9x n GLN 59 N -4.95 0.00 -0.00 0.28 7.27 -1.26 -4.74 117.38 113.97 2k9x n GLN 59 Ca -0.10 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.05 2k9x n GLN 59 Cb 0.33 0.00 0.50 0.00 2.41 0.00 0.00 30.24 33.49 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 -1.62 0.00 -1.67 1.69 -2.24 -1.26 -4.87 114.28 104.31 2k9x n THR 60 Ca 0.00 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 2k9x n THR 60 Cb 0.00 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.77 1.56 0.11 3.38 0.00 -1.26 -4.80 105.19 104.95 2k9x n GLY 61 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 0.24 -1.10 1.61 -0.06 -1.26 -4.97 117.38 109.34 2k9x n GLN 62 Ca -0.20 0.06 0.00 0.00 -2.00 0.00 0.00 57.00 54.86 2k9x n GLN 62 Cb 0.64 -1.16 0.00 0.00 -4.06 0.00 0.00 30.24 25.67 2k9x n GLN 62 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k9x n THR 63 N -2.85 0.00 -4.30 1.69 -2.24 -1.26 -4.67 114.28 100.65 2k9x n THR 63 Ca -0.17 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 2k9x n THR 63 Cb 0.68 -0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.93 0.48 3.22 1.43 -1.26 -1.96 118.68 123.52 2k9x s LEU 64 Ca 0.00 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.30 2k9x s LEU 64 Cb 0.00 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.51 2k9x s LEU 64 CO 0.00 0.10 1.01 0.00 0.23 0.00 0.00 176.35 177.69 2k9x s ARG 65 N -2.82 3.91 0.06 1.70 1.04 0.23 -3.92 118.95 119.15 2k9x s ARG 65 Ca 0.25 1.26 -0.35 0.00 -1.04 0.00 0.00 55.73 55.85 2k9x s ARG 65 Cb -0.09 -2.12 -0.14 0.00 -2.04 0.00 0.00 34.95 30.56 2k9x s ARG 65 CO 0.15 -0.32 1.58 -2.30 -0.04 0.00 0.00 175.30 174.37 2k9x n PRO 66 N -0.95 1.81 0.00 3.89 -0.02 -1.26 -3.70 135.00 134.77 2k9x n PRO 66 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2k9x n PRO 66 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.42 4.01 3.81 -1.23 0.00 -1.26 -4.91 105.19 109.04 2k9x n GLY 67 Ca 0.19 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 4.70 -0.49 -0.61 1.01 -1.24 -1.18 121.20 123.39 2k9x s ILE 68 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.76 2k9x s ILE 68 Cb 0.00 -3.89 0.12 0.00 0.01 0.00 0.00 42.46 38.70 2k9x s ILE 68 CO 0.00 0.46 0.38 -0.76 0.00 0.00 0.00 174.94 175.02 2k9x s LEU 69 N -1.36 5.81 0.14 2.97 1.43 0.18 -4.89 118.68 122.96 2k9x s LEU 69 Ca 0.33 -1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 51.22 2k9x s LEU 69 Cb -0.19 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 2k9x s LEU 69 CO 0.20 -0.72 1.00 0.68 0.23 0.00 0.00 176.35 177.73 2k9x s VAL 70 N 1.39 4.28 -0.00 -1.59 -7.23 -1.26 -3.40 120.40 112.59 2k9x s VAL 70 Ca 0.05 1.95 0.06 0.00 -1.81 0.00 0.00 61.98 62.23 2k9x s VAL 70 Cb -0.27 -4.24 -0.02 0.00 0.56 0.00 0.00 36.38 32.41 2k9x s VAL 70 CO -0.00 0.33 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.18 2k9x s LEU 71 N -0.22 2.06 -0.17 1.32 1.43 -1.12 -2.57 118.68 119.41 2k9x s LEU 71 Ca 0.47 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2k9x s LEU 71 Cb -0.25 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.11 2k9x s LEU 71 CO 0.31 0.19 -0.14 -0.69 0.23 0.00 0.00 176.35 176.26 2k9x s VAL 72 N -0.50 1.67 -1.49 -1.59 1.01 -1.25 -3.14 120.40 115.11 2k9x s VAL 72 Ca 0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2k9x s VAL 72 Cb -0.07 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2k9x s VAL 72 CO -0.00 0.38 0.19 0.59 0.00 0.00 0.00 175.10 176.25 2k9x n ASN 73 N 4.72 -5.21 -3.23 3.32 3.02 -0.56 -1.40 115.26 115.91 2k9x n ASN 73 Ca -0.17 -0.06 -0.23 0.00 -0.03 0.00 0.00 54.58 54.09 2k9x n ASN 73 Cb 0.49 -4.32 0.02 0.00 -0.61 0.00 0.00 39.78 35.36 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 -2.10 -5.08 -2.49 6.41 2.88 -1.26 -4.86 113.62 107.11 2k9x n SER 74 Ca -0.17 -0.36 0.01 0.00 -1.33 0.00 0.00 58.87 57.01 2k9x n SER 74 Cb 0.64 -4.13 0.05 0.00 -0.75 0.00 0.00 64.21 60.02 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 -0.41 -6.64 0.13 0.00 8.00 -1.25 -4.58 116.55 111.79 2k9x n ASP 76 Ca 0.04 0.88 0.06 0.00 0.71 0.00 0.00 54.79 56.48 2k9x n ASP 76 Cb 0.88 -3.01 0.03 0.00 -0.02 0.00 0.00 41.12 39.00 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 1.61 0.71 0.03 2.24 0.00 -1.77 -3.27 119.26 118.81 2k9x h ALA 77 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 2k9x h ALA 77 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k9x h ALA 77 CO 0.00 0.39 -0.99 1.05 0.00 0.00 0.00 179.25 179.70 2k9x h GLU 78 N 0.00 0.17 -0.32 0.00 4.11 -1.83 0.46 114.58 117.16 2k9x h GLU 78 Ca -0.04 -0.22 -0.12 0.00 0.07 0.00 0.00 59.36 59.05 2k9x h GLU 78 Cb 1.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2k9x h GLU 78 CO 0.03 1.02 -0.25 0.28 0.07 0.00 0.00 179.01 180.17 2k9x h VAL 79 N 0.07 1.29 -0.06 -1.06 2.07 -1.82 -3.09 116.25 113.66 2k9x h VAL 79 Ca -0.06 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 2k9x h VAL 79 Cb 1.67 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2k9x h VAL 79 CO 0.15 0.45 -0.39 -0.37 0.02 0.00 0.00 177.57 177.44 2k9x h VAL 80 N 0.51 1.29 0.00 2.57 -1.51 -1.63 -3.45 116.25 114.03 2k9x h VAL 80 Ca 0.06 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2k9x h VAL 80 Cb 0.81 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2k9x h VAL 80 CO 0.07 0.41 0.00 0.61 -1.23 0.00 0.00 177.57 177.43 2k9x n GLY 81 N -0.32 0.00 7.00 5.19 0.00 -1.11 -4.77 105.19 111.18 2k9x n GLY 81 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.82 1.98 -0.02 0.00 0.16 0.31 105.19 110.45 2k9x n GLY 82 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 12.65 3.12 -0.27 1.61 0.00 -1.26 -4.30 117.12 128.66 2k9x n MET 83 Ca 0.00 -3.07 0.08 0.00 0.00 0.00 0.00 57.70 54.71 2k9x n MET 83 Cb 0.00 -2.17 0.16 0.00 0.00 0.00 0.00 33.22 31.22 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 -0.55 2.10 -4.73 3.17 -0.08 0.15 -2.75 116.55 113.87 2k9x n ASP 84 Ca 0.46 -3.37 -0.37 0.00 -1.51 0.00 0.00 54.79 49.99 2k9x n ASP 84 Cb 1.44 -0.46 -0.06 0.00 2.34 0.00 0.00 41.12 44.38 2k9x n ASP 84 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2k9x s TYR 85 N -2.98 3.50 0.12 -0.67 5.04 -1.24 -4.81 117.35 116.30 2k9x s TYR 85 Ca 0.34 0.80 -0.17 0.00 -2.44 0.00 0.00 57.07 55.60 2k9x s TYR 85 Cb 0.31 -2.48 -0.07 0.00 0.35 0.00 0.00 41.96 40.07 2k9x s TYR 85 CO -0.01 0.20 0.57 0.14 -1.34 0.00 0.00 175.55 175.11 2k9x s VAL 86 N 0.54 4.78 0.82 3.14 -7.23 -1.26 -1.13 120.40 120.05 2k9x s VAL 86 Ca 0.23 1.05 -0.10 0.00 -1.81 0.00 0.00 61.98 61.35 2k9x s VAL 86 Cb -0.14 -3.82 0.13 0.00 0.56 0.00 0.00 36.38 33.10 2k9x s VAL 86 CO 0.08 0.39 1.15 -0.76 -0.31 0.00 0.00 175.10 175.65 2k9x s LEU 87 N -1.55 2.76 0.07 1.32 1.02 -1.16 -4.99 118.68 116.15 2k9x s LEU 87 Ca 0.34 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.79 2k9x s LEU 87 Cb -0.17 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.39 2k9x s LEU 87 CO 0.19 -2.10 0.00 -3.20 0.02 0.00 0.00 176.35 171.26 2k9x n ASN 88 N -3.27 0.04 -2.66 2.29 5.15 -1.18 -4.49 115.26 111.13 2k9x n ASN 88 Ca 0.12 0.12 -0.03 0.00 -0.60 0.00 0.00 54.58 54.19 2k9x n ASN 88 Cb 0.60 0.07 0.04 0.00 -0.53 0.00 0.00 39.78 39.96 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 -2.79 -1.18 0.00 1.20 -0.08 -1.26 -4.52 116.55 107.91 2k9x n ASP 89 Ca 0.00 -0.74 0.00 0.00 -1.51 0.00 0.00 54.79 52.54 2k9x n ASP 89 Cb 0.00 0.59 0.00 0.00 2.34 0.00 0.00 41.12 44.05 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 2.47 1.27 3.66 0.27 0.00 -1.25 -4.49 105.19 107.12 2k9x n GLY 90 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 1.88 -0.14 1.61 -1.08 -1.26 -4.63 116.67 111.05 2k9x s ASP 91 Ca 0.00 0.83 -0.01 0.00 -0.52 0.00 0.00 52.55 52.85 2k9x s ASP 91 Cb 0.00 -1.25 0.04 0.00 -1.46 0.00 0.00 42.92 40.25 2k9x s ASP 91 CO 0.00 -3.55 -0.02 -0.89 0.52 0.00 0.00 175.17 171.23 2k9x s THR 92 N -3.07 0.73 -0.12 1.71 2.01 -1.26 -0.09 115.64 115.56 2k9x s THR 92 Ca 0.68 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 2k9x s THR 92 Cb -0.13 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.44 2k9x s THR 92 CO 0.56 0.12 -0.09 0.54 -0.69 0.00 0.00 174.62 175.07 2k9x s VAL 93 N 1.80 1.10 0.06 3.82 0.11 0.49 -1.50 120.40 126.29 2k9x s VAL 93 Ca 0.02 -0.34 0.08 0.00 -2.93 0.00 0.00 61.98 58.81 2k9x s VAL 93 Cb -0.14 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2k9x s VAL 93 CO -0.07 0.38 -0.21 -1.61 -3.33 0.00 0.00 175.10 170.26 2k9x s GLU 94 N 1.68 1.29 -0.30 1.54 2.02 -1.19 -2.93 118.70 120.81 2k9x s GLU 94 Ca 0.05 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 54.06 2k9x s GLU 94 Cb -0.13 -1.45 0.08 0.00 0.10 0.00 0.00 34.13 32.73 2k9x s GLU 94 CO -0.09 0.36 -0.02 -0.06 0.02 0.00 0.00 175.26 175.48 2k9x s PHE 95 N -0.92 3.25 -0.20 1.61 0.40 -1.21 -2.79 117.98 118.12 2k9x s PHE 95 Ca 0.07 -2.50 -0.01 0.00 -0.60 0.00 0.00 56.93 53.89 2k9x s PHE 95 Cb -0.09 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.14 2k9x s PHE 95 CO 0.03 -0.90 -0.13 0.42 0.70 0.00 0.00 175.22 175.34 2k9x s ILE 96 N 1.09 2.60 0.00 0.64 1.01 -1.22 -3.18 121.20 122.15 2k9x s ILE 96 Ca 0.02 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 2k9x s ILE 96 Cb -0.19 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2k9x s ILE 96 CO -0.08 0.46 0.65 -0.55 0.00 0.00 0.00 174.94 175.43 2k9x s SER 97 N 1.36 7.04 0.08 3.58 0.15 -1.25 0.50 113.70 125.16 2k9x s SER 97 Ca 0.05 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.94 2k9x s SER 97 Cb -0.14 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2k9x s SER 97 CO -0.09 0.05 0.00 0.35 1.20 0.00 0.00 173.24 174.75 2k9x n THR 98 N 2.88 0.07 -2.67 6.45 -2.24 -0.32 -4.59 114.28 113.85 2k9x n THR 98 Ca -0.05 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2k9x n THR 98 Cb 0.51 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 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 -5.75 4.04 -0.95 3.22 1.98 -1.12 -4.91 118.68 115.18 2k9x s LEU 99 Ca 0.00 -2.00 -0.05 0.00 -2.89 0.00 0.00 54.13 49.19 2k9x s LEU 99 Cb 0.00 -2.52 0.24 0.00 0.66 0.00 0.00 46.19 44.56 2k9x s LEU 99 CO 0.00 -1.25 0.88 -2.28 -1.89 0.00 0.00 176.35 171.81 2k9x s HIS 100 N 3.99 4.00 -0.08 5.38 2.46 -1.26 -4.11 115.29 125.67 2k9x s HIS 100 Ca 0.45 -2.83 -0.31 0.00 0.47 0.00 0.00 55.06 52.84 2k9x s HIS 100 Cb -0.00 -3.49 0.12 0.00 -0.13 0.00 0.00 32.58 29.08 2k9x s HIS 100 CO -0.04 -0.83 0.99 0.20 -2.47 0.00 0.00 174.74 172.59 2k9x s GLY 101 N 0.56 -0.38 0.00 1.59 0.00 -1.26 -5.20 107.32 102.62 2k9x s GLY 101 Ca 0.27 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.37 2k9x s GLY 101 CO -0.10 0.52 0.00 0.61 0.00 0.00 0.00 173.10 174.13