#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 5.68 -0.06 7.83 1.04 -1.26 -5.00 113.70 121.93 2k9x s SER 2 Ca 0.00 1.92 -0.02 0.00 0.48 0.00 0.00 55.95 58.34 2k9x s SER 2 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2k9x s SER 2 CO 0.00 -1.24 -0.07 0.59 0.98 0.00 0.00 173.24 173.50 2k9x n ASN 3 N -1.90 1.90 -4.81 7.02 5.03 -1.26 -4.95 115.26 116.30 2k9x n ASN 3 Ca 0.10 0.03 -0.32 0.00 0.87 0.00 0.00 54.58 55.25 2k9x n ASN 3 Cb 0.52 -0.15 0.01 0.00 -1.02 0.00 0.00 39.78 39.15 2k9x n ASN 3 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2k9x s HIS 4 N -2.12 3.07 0.00 3.10 3.76 -1.26 -3.60 115.29 118.24 2k9x s HIS 4 Ca -0.09 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 2k9x s HIS 4 Cb 0.03 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.76 2k9x s HIS 4 CO 0.13 -1.06 0.00 -1.71 -0.85 0.00 0.00 174.74 171.25 2k9x n ASN 5 N -2.22 0.00 -4.57 1.40 4.05 -1.25 -4.85 115.26 107.82 2k9x n ASN 5 Ca 0.08 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.80 2k9x n ASN 5 Cb 0.53 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.43 2k9x n ASN 5 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2k9x s HIS 6 N -0.76 2.81 -0.11 1.20 3.76 -1.24 -3.16 115.29 117.79 2k9x s HIS 6 Ca 0.00 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 2k9x s HIS 6 Cb 0.00 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 2k9x s HIS 6 CO 0.00 0.36 0.07 0.42 -0.85 0.00 0.00 174.74 174.73 2k9x s ILE 7 N -1.02 4.86 -0.85 0.60 1.09 -0.69 -3.13 121.20 122.05 2k9x s ILE 7 Ca 0.17 -0.03 -0.21 0.00 -1.10 0.00 0.00 60.65 59.48 2k9x s ILE 7 Cb -0.11 -3.10 0.09 0.00 -1.06 0.00 0.00 42.46 38.28 2k9x s ILE 7 CO 0.08 0.59 1.15 -0.89 -0.10 0.00 0.00 174.94 175.77 2k9x s THR 8 N -0.74 4.38 -0.32 2.92 2.01 0.20 -2.95 115.64 121.14 2k9x s THR 8 Ca 0.12 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2k9x s THR 8 Cb -0.12 -4.82 0.07 0.00 0.01 0.00 0.00 72.50 67.65 2k9x s THR 8 CO 0.03 -1.60 0.02 0.54 -0.69 0.00 0.00 174.62 172.91 2k9x s VAL 9 N 3.77 2.72 0.35 3.82 0.11 -0.68 -0.12 120.40 130.37 2k9x s VAL 9 Ca 0.32 -1.73 0.04 0.00 -2.93 0.00 0.00 61.98 57.68 2k9x s VAL 9 Cb -0.08 -2.70 -0.06 0.00 -1.53 0.00 0.00 36.38 32.01 2k9x s VAL 9 CO -0.02 -0.28 0.06 0.00 -3.33 0.00 0.00 175.10 171.53 2k9x s GLN 10 N 1.14 1.73 0.03 1.54 0.00 -1.13 0.10 119.66 123.07 2k9x s GLN 10 Ca -0.01 -1.97 0.03 0.00 -0.00 0.00 0.00 55.36 53.40 2k9x s GLN 10 Cb -0.20 -0.95 -0.02 0.00 0.00 0.00 0.00 33.01 31.84 2k9x s GLN 10 CO -0.04 -0.20 -0.08 -0.06 0.00 0.00 0.00 175.29 174.91 2k9x s PHE 11 N -3.21 0.73 -0.30 9.60 0.08 -1.23 -3.21 117.98 120.44 2k9x s PHE 11 Ca 0.34 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.93 2k9x s PHE 11 Cb 0.08 -0.44 0.17 0.00 -0.57 0.00 0.00 43.02 42.27 2k9x s PHE 11 CO 0.15 -0.04 0.86 0.00 -0.10 0.00 0.00 175.22 176.10 2k9x s ALA 12 N -0.97 -2.79 0.00 5.36 0.00 -1.13 -4.65 121.76 117.58 2k9x s ALA 12 Ca -0.05 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2k9x s ALA 12 Cb -0.08 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2k9x s ALA 12 CO 0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2k9x n GLY 13 N 5.34 0.95 2.08 0.00 0.00 -1.26 -3.77 105.19 108.53 2k9x n GLY 13 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 0.49 0.04 -0.02 0.00 -1.26 -3.56 105.19 100.88 2k9x n GLY 14 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 4.11 -1.86 -1.48 114.58 115.35 2k9x h GLU 16 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2k9x h GLU 16 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k9x h GLU 16 CO 0.01 0.01 0.00 1.28 0.07 0.00 0.00 179.01 180.38 2k9x n LEU 17 N -3.38 0.00 -0.49 3.06 4.32 -1.26 -0.33 117.00 118.91 2k9x n LEU 17 Ca -0.03 0.33 0.03 0.00 -0.02 0.00 0.00 56.01 56.33 2k9x n LEU 17 Cb 0.09 -0.33 0.10 0.00 -1.62 0.00 0.00 43.42 41.65 2k9x n LEU 17 CO 0.23 -0.19 0.55 0.18 -1.22 0.00 0.00 177.39 176.94 2k9x n LEU 18 N -1.33 1.38 0.12 2.23 4.77 -0.56 -4.38 117.00 119.22 2k9x n LEU 18 Ca 0.05 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2k9x n LEU 18 Cb 0.11 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2k9x n LEU 18 CO 0.10 0.30 0.00 0.33 -1.33 0.00 0.00 177.39 176.79 2k9x n PHE 19 N 0.13 -2.52 -2.23 -1.77 -0.00 -1.07 -3.36 117.46 106.62 2k9x n PHE 19 Ca 0.07 0.58 -0.01 0.00 -0.00 0.00 0.00 57.45 58.10 2k9x n PHE 19 Cb 0.25 1.38 0.01 0.00 -0.00 0.00 0.00 39.48 41.13 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 -3.14 -0.82 -3.30 3.13 0.00 -1.12 -4.55 120.51 110.71 2k9x n ALA 20 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 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 -0.21 -3.55 -1.81 0.00 4.01 0.55 -4.94 118.16 112.20 2k9x n LYS 21 Ca -0.04 0.53 -0.29 0.00 -0.51 0.00 0.00 58.31 57.99 2k9x n LYS 21 Cb 0.50 -5.25 0.08 0.00 -0.51 0.00 0.00 35.03 29.85 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 -5.95 2.16 -0.20 1.97 -1.52 -1.25 -4.95 119.66 109.92 2k9x s GLN 22 Ca 0.38 0.30 0.15 0.00 -1.95 0.00 0.00 55.36 54.24 2k9x s GLN 22 Cb -0.20 -1.96 -0.23 0.00 -0.22 0.00 0.00 33.01 30.41 2k9x s GLN 22 CO 0.47 -1.50 0.02 0.25 -0.25 0.00 0.00 175.29 174.28 2k9x n THR 23 N -3.29 1.37 -3.60 -0.19 -2.24 -1.26 -4.45 114.28 100.62 2k9x n THR 23 Ca 0.07 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 2k9x n THR 23 Cb 0.59 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.15 2k9x n THR 23 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k9x s SER 24 N -5.58 -0.35 0.22 3.42 1.04 -1.26 -3.47 113.70 107.72 2k9x s SER 24 Ca -0.13 0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.80 2k9x s SER 24 Cb 0.06 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2k9x s SER 24 CO 0.77 -0.25 0.02 -0.22 0.98 0.00 0.00 173.24 174.54 2k9x s LEU 25 N -0.68 2.04 -0.14 2.42 2.96 0.29 -4.94 118.68 120.64 2k9x s LEU 25 Ca 0.01 -1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 52.67 2k9x s LEU 25 Cb -0.02 -0.13 0.04 0.00 0.50 0.00 0.00 46.19 46.58 2k9x s LEU 25 CO -0.02 -0.58 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.30 2k9x s GLN 26 N -3.92 1.06 -0.04 1.98 -0.21 -1.25 -1.69 119.66 115.59 2k9x s GLN 26 Ca 0.29 -0.29 -0.12 0.00 0.02 0.00 0.00 55.36 55.26 2k9x s GLN 26 Cb 0.06 -1.68 -0.05 0.00 1.00 0.00 0.00 33.01 32.34 2k9x s GLN 26 CO 0.08 -0.41 0.33 -0.51 -2.12 0.00 0.00 175.29 172.66 2k9x s LEU 27 N 1.78 4.45 -0.46 2.90 1.43 -1.15 -4.80 118.68 122.84 2k9x s LEU 27 Ca 0.02 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 53.77 2k9x s LEU 27 Cb -0.14 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.69 2k9x s LEU 27 CO -0.07 0.35 0.42 -0.62 0.23 0.00 0.00 176.35 176.66 2k9x s ASP 28 N -1.04 6.16 0.91 2.29 -1.08 -1.26 -1.70 116.67 120.95 2k9x s ASP 28 Ca 0.21 -1.05 -0.12 0.00 -0.52 0.00 0.00 52.55 51.08 2k9x s ASP 28 Cb -0.15 -2.20 0.14 0.00 -1.46 0.00 0.00 42.92 39.24 2k9x s ASP 28 CO 0.11 -0.64 1.10 -0.83 0.52 0.00 0.00 175.17 175.43 2k9x s GLY 29 N 2.28 1.60 0.00 2.66 0.00 -1.19 -5.02 107.32 107.65 2k9x s GLY 29 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.58 2k9x s GLY 29 CO 0.10 0.31 0.00 3.33 0.00 0.00 0.00 173.10 176.83 2k9x n VAL 30 N -3.90 0.00 -3.55 1.40 0.24 -1.26 -5.02 118.33 106.25 2k9x n VAL 30 Ca 0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.08 2k9x n VAL 30 Cb 0.56 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 32.10 2k9x n VAL 30 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2k9x s VAL 31 N -1.85 0.70 0.61 3.34 1.01 -1.26 -4.98 120.40 117.97 2k9x s VAL 31 Ca 0.00 -2.27 0.29 0.00 0.00 0.00 0.00 61.98 60.00 2k9x s VAL 31 Cb 0.00 -1.50 0.36 0.00 0.00 0.00 0.00 36.38 35.24 2k9x s VAL 31 CO 0.00 -1.01 1.96 -0.65 0.00 0.00 0.00 175.10 175.40 2k9x h PRO 32 N 6.59 0.00 0.97 2.72 0.11 -1.90 -2.68 132.00 137.81 2k9x h PRO 32 Ca 0.08 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 2k9x h PRO 32 Cb 0.93 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.05 2k9x h PRO 32 CO 0.37 0.00 -0.49 1.15 -0.21 0.00 0.00 178.00 178.83 2k9x h THR 33 N 0.00 0.01 -0.90 -1.15 2.02 -1.94 -3.11 112.91 107.85 2k9x h THR 33 Ca 0.13 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.79 2k9x h THR 33 Cb 0.88 0.01 -0.21 0.00 -1.74 0.00 0.00 68.15 67.09 2k9x h THR 33 CO -0.00 0.00 0.65 0.61 0.37 0.00 0.00 175.52 177.15 2k9x n GLY 34 N -1.66 4.95 2.82 2.16 0.00 -1.02 -4.87 105.19 107.56 2k9x n GLY 34 Ca -0.17 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.52 -0.06 0.00 2.61 2.01 -1.17 -5.02 115.64 110.49 2k9x s THR 35 Ca 0.50 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.71 2k9x s THR 35 Cb 0.38 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.75 2k9x s THR 35 CO -0.08 0.09 0.00 -0.46 -0.69 0.00 0.00 174.62 173.48 2k9x n ASN 36 N 4.26 0.12 -0.36 3.53 0.23 -1.26 -1.16 115.26 120.61 2k9x n ASN 36 Ca -0.26 -0.88 0.03 0.00 -0.53 0.00 0.00 54.58 52.94 2k9x n ASN 36 Cb 0.51 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.99 -1.33 -4.53 6.46 -0.48 0.27 115.31 116.68 2k9x h LEU 37 Ca 0.00 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 2k9x h LEU 37 Cb 0.00 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.70 2k9x h LEU 37 CO 0.00 0.61 0.49 -1.13 -0.62 0.00 0.00 178.44 177.79 2k9x h ASN 38 N 1.11 0.72 0.51 1.25 -1.24 -1.86 -0.55 115.58 115.53 2k9x h ASN 38 Ca 0.44 -0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.29 2k9x h ASN 38 Cb 0.24 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2k9x h ASN 38 CO -0.19 0.48 -0.71 1.23 -1.29 0.00 0.00 177.43 176.94 2k9x h GLY 39 N 0.83 0.19 0.81 1.57 0.00 -1.38 -2.31 103.07 102.78 2k9x h GLY 39 Ca 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k9x h GLY 39 CO -0.10 0.24 0.01 1.41 0.00 0.00 0.00 176.54 178.10 2k9x h LEU 40 N 0.11 0.05 0.28 3.11 3.38 0.24 -0.83 115.31 121.66 2k9x h LEU 40 Ca -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2k9x h LEU 40 Cb 1.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k9x h LEU 40 CO 0.11 0.23 -0.13 -0.37 0.09 0.00 0.00 178.44 178.37 2k9x h VAL 41 N -0.14 0.77 -0.28 1.22 -1.51 -1.36 -2.21 116.25 112.73 2k9x h VAL 41 Ca 0.01 -0.43 0.08 0.00 -1.23 0.00 0.00 66.70 65.13 2k9x h VAL 41 Cb 0.20 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 2k9x h VAL 41 CO -0.00 0.09 0.25 -0.61 -1.23 0.00 0.00 177.57 176.07 2k9x h GLN 42 N -0.60 0.00 0.00 5.19 -0.00 -1.44 0.29 115.11 118.54 2k9x h GLN 42 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2k9x h GLN 42 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.91 2k9x h GLN 42 CO 0.06 0.00 -0.33 -0.11 0.00 0.00 0.00 178.83 178.45 2k9x n LEU 43 N -4.04 0.73 -0.12 -2.39 7.94 -0.32 -1.71 117.00 117.09 2k9x n LEU 43 Ca 0.04 0.38 -0.24 0.00 -1.11 0.00 0.00 56.01 55.08 2k9x n LEU 43 Cb 0.41 -0.25 -0.09 0.00 0.53 0.00 0.00 43.42 44.01 2k9x n LEU 43 CO 0.31 -0.10 -1.06 -0.11 -1.11 0.00 0.00 177.39 175.31 2k9x n LEU 44 N -2.15 1.92 -0.00 -1.96 -0.00 0.71 -4.28 117.00 111.24 2k9x n LEU 44 Ca 0.04 0.38 -0.00 0.00 -0.00 0.00 0.00 56.01 56.43 2k9x n LEU 44 Cb 0.43 -0.85 -0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2k9x n LEU 44 CO 0.33 0.34 -0.01 0.07 -0.00 0.00 0.00 177.39 178.13 2k9x h LYS 45 N -1.00 0.00 -1.07 1.96 2.10 -0.87 -3.01 116.57 114.68 2k9x h LYS 45 Ca -0.49 0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.46 2k9x h LYS 45 Cb 1.40 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.68 2k9x h LYS 45 CO -0.30 0.00 0.75 1.15 -2.00 0.00 0.00 179.45 179.05 2k9x h THR 46 N -0.05 0.48 0.01 0.07 2.02 -1.68 0.47 112.91 114.23 2k9x h THR 46 Ca 0.00 -0.03 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 2k9x h THR 46 Cb 0.01 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2k9x h THR 46 CO 0.00 0.02 -0.91 -1.13 0.37 0.00 0.00 175.52 173.86 2k9x h ASN 47 N 0.10 0.35 0.00 4.18 -1.24 -1.51 -3.45 115.58 114.01 2k9x h ASN 47 Ca 0.53 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2k9x h ASN 47 Cb 1.93 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.87 2k9x h ASN 47 CO -0.07 1.10 0.00 0.00 -1.29 0.00 0.00 177.43 177.16 2k9x n TYR 48 N -3.68 0.00 -2.49 0.67 9.36 0.12 -5.02 117.16 116.13 2k9x n TYR 48 Ca -0.05 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.14 2k9x n TYR 48 Cb 0.83 0.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.77 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 -2.27 -1.58 0.10 2.97 3.14 0.10 -4.88 118.33 115.92 2k9x n VAL 49 Ca 0.00 0.33 -0.05 0.00 -2.96 0.00 0.00 64.34 61.66 2k9x n VAL 49 Cb 0.00 -2.21 0.10 0.00 -1.06 0.00 0.00 33.84 30.68 2k9x n VAL 49 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2k9x h LYS 50 N 2.75 0.17 0.00 1.45 2.10 -1.79 -3.46 116.57 117.78 2k9x h LYS 50 Ca -0.04 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2k9x h LYS 50 Cb 0.75 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2k9x h LYS 50 CO 0.02 0.77 0.00 -1.91 -2.00 0.00 0.00 179.45 176.33 2k9x n GLU 51 N -3.81 2.40 -2.01 0.07 4.07 -1.26 -5.03 120.64 115.07 2k9x n GLU 51 Ca -0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.66 2k9x n GLU 51 Cb 0.66 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.01 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 1.77 4.22 0.33 5.31 1.81 -1.26 -4.91 118.95 126.23 2k9x s ARG 52 Ca 0.00 2.23 0.15 0.00 -1.72 0.00 0.00 55.73 56.39 2k9x s ARG 52 Cb 0.00 -3.58 0.57 0.00 -0.45 0.00 0.00 34.95 31.49 2k9x s ARG 52 CO 0.00 -0.69 1.70 -1.00 -0.68 0.00 0.00 175.30 174.64 2k9x h PRO 53 N 8.14 0.00 -0.43 3.54 0.13 -1.96 -3.01 132.00 138.42 2k9x h PRO 53 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k9x h PRO 53 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k9x h PRO 53 CO 0.92 0.47 0.00 -3.47 -0.23 0.00 0.00 178.00 175.69 2k9x n ASP 54 N -3.71 2.70 0.05 1.44 2.03 -1.26 -4.10 116.55 113.70 2k9x n ASP 54 Ca -0.01 -1.94 0.13 0.00 0.52 0.00 0.00 54.79 53.49 2k9x n ASP 54 Cb 0.54 -0.28 0.42 0.00 -0.72 0.00 0.00 41.12 41.07 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 0.98 0.51 -0.10 -2.67 -0.00 -1.14 -4.14 117.00 110.45 2k9x n LEU 55 Ca 0.18 0.44 -0.18 0.00 -0.00 0.00 0.00 56.01 56.45 2k9x n LEU 55 Cb 0.45 -0.34 -0.08 0.00 -0.00 0.00 0.00 43.42 43.45 2k9x n LEU 55 CO 0.13 -0.07 -1.15 0.00 -0.00 0.00 0.00 177.39 176.29 2k9x n LEU 56 N -1.93 2.15 -4.72 1.47 -0.00 -1.26 -4.93 117.00 107.79 2k9x n LEU 56 Ca 0.06 0.08 -0.37 0.00 -0.00 0.00 0.00 56.01 55.78 2k9x n LEU 56 Cb 0.39 -0.62 0.06 0.00 -0.00 0.00 0.00 43.42 43.26 2k9x n LEU 56 CO 0.31 0.61 0.87 1.33 -0.00 0.00 0.00 177.39 180.50 2k9x n VAL 57 N -3.50 4.69 0.27 1.47 0.24 -1.26 0.90 118.33 121.15 2k9x n VAL 57 Ca -0.37 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.30 2k9x n VAL 57 Cb 0.81 -1.47 -0.07 0.00 -1.47 0.00 0.00 33.84 31.64 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 0.63 -0.61 0.00 -1.34 3.58 0.02 -3.34 116.42 115.35 2k9x h ASP 58 Ca -0.51 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2k9x h ASP 58 Cb 1.34 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2k9x h ASP 58 CO 0.53 -0.23 0.00 1.67 -2.88 0.00 0.00 179.24 178.33 2k9x n GLN 59 N -5.28 0.00 0.00 0.28 7.27 -1.26 -4.82 117.38 113.56 2k9x n GLN 59 Ca -0.11 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.06 2k9x n GLN 59 Cb 0.32 0.00 0.54 0.00 2.41 0.00 0.00 30.24 33.51 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 -1.52 0.00 -2.25 1.69 -2.24 -1.26 -4.87 114.28 103.83 2k9x n THR 60 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2k9x n THR 60 Cb 0.00 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 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 0.75 -0.04 0.65 3.38 0.00 -1.26 -4.82 105.19 103.85 2k9x n GLY 61 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.89 0.00 -4.88 1.61 -0.06 -1.26 -5.04 117.38 104.86 2k9x n GLN 62 Ca -0.24 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.44 2k9x n GLN 62 Cb 0.69 -0.66 -0.13 0.00 -4.06 0.00 0.00 30.24 26.07 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 -1.97 3.00 0.67 1.69 -1.32 -1.26 -4.96 115.64 111.49 2k9x s THR 63 Ca 0.00 -0.79 -0.15 0.00 -1.21 0.00 0.00 61.69 59.54 2k9x s THR 63 Cb 0.00 -2.18 0.01 0.00 -1.51 0.00 0.00 72.50 68.82 2k9x s THR 63 CO 0.00 0.56 1.13 -0.76 -2.21 0.00 0.00 174.62 173.35 2k9x s LEU 64 N -0.81 3.39 0.70 9.08 1.43 -1.26 0.62 118.68 131.82 2k9x s LEU 64 Ca 0.12 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 2k9x s LEU 64 Cb -0.11 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.57 2k9x s LEU 64 CO 0.01 -1.77 1.07 0.00 0.23 0.00 0.00 176.35 175.89 2k9x s ARG 65 N -4.01 2.77 0.23 1.70 1.04 0.26 -4.16 118.95 116.78 2k9x s ARG 65 Ca 0.69 1.12 -0.32 0.00 -1.04 0.00 0.00 55.73 56.18 2k9x s ARG 65 Cb -0.23 -1.96 -0.12 0.00 -2.04 0.00 0.00 34.95 30.60 2k9x s ARG 65 CO 0.42 -1.24 1.64 -2.30 -0.04 0.00 0.00 175.30 173.78 2k9x n PRO 66 N -2.98 2.60 0.00 3.89 -0.02 -1.26 -3.80 135.00 133.43 2k9x n PRO 66 Ca 0.09 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2k9x n PRO 66 Cb 0.53 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.19 3.99 3.83 -1.23 0.00 -1.26 -4.79 105.19 108.93 2k9x n GLY 67 Ca 0.14 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 4.73 -0.43 -0.61 1.01 -1.25 -0.11 121.20 124.55 2k9x s ILE 68 Ca 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.67 2k9x s ILE 68 Cb 0.00 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.79 2k9x s ILE 68 CO 0.00 0.24 0.22 -0.76 0.00 0.00 0.00 174.94 174.64 2k9x s LEU 69 N -1.93 5.21 0.05 2.97 1.43 0.18 -4.90 118.68 121.70 2k9x s LEU 69 Ca 0.40 -2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 51.07 2k9x s LEU 69 Cb -0.16 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2k9x s LEU 69 CO 0.20 -0.51 1.02 0.68 0.23 0.00 0.00 176.35 177.97 2k9x s VAL 70 N 1.00 4.55 -0.07 -1.59 -7.23 -1.26 -3.41 120.40 112.39 2k9x s VAL 70 Ca 0.09 1.93 0.01 0.00 -1.81 0.00 0.00 61.98 62.20 2k9x s VAL 70 Cb -0.22 -4.23 0.02 0.00 0.56 0.00 0.00 36.38 32.50 2k9x s VAL 70 CO -0.04 0.20 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.10 2k9x s LEU 71 N 0.64 1.46 -0.27 1.32 1.43 -1.18 -1.41 118.68 120.66 2k9x s LEU 71 Ca 0.52 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2k9x s LEU 71 Cb -0.24 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 2k9x s LEU 71 CO 0.29 -0.02 0.13 -0.69 0.23 0.00 0.00 176.35 176.29 2k9x s VAL 72 N 0.97 4.70 -1.16 -1.59 1.01 0.30 -2.90 120.40 121.74 2k9x s VAL 72 Ca -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2k9x s VAL 72 Cb -0.15 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2k9x s VAL 72 CO 0.00 0.26 0.95 0.59 0.00 0.00 0.00 175.10 176.90 2k9x n ASN 73 N 4.98 -3.49 -3.32 3.32 5.03 0.43 -2.38 115.26 119.83 2k9x n ASN 73 Ca -0.15 -0.67 -0.24 0.00 0.87 0.00 0.00 54.58 54.40 2k9x n ASN 73 Cb 0.51 -5.07 0.01 0.00 -1.02 0.00 0.00 39.78 34.21 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2k9x n SER 74 N -3.15 -4.65 -3.73 6.41 7.64 -1.26 -4.95 113.62 109.92 2k9x n SER 74 Ca -0.22 -0.40 -0.12 0.00 1.01 0.00 0.00 58.87 59.14 2k9x n SER 74 Cb 0.65 -3.79 -0.07 0.00 -1.01 0.00 0.00 64.21 59.99 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 0.68 2.28 0.31 0.00 8.00 -1.26 0.11 116.55 126.67 2k9x n ASP 76 Ca -0.19 1.08 0.20 0.00 0.71 0.00 0.00 54.79 56.59 2k9x n ASP 76 Cb 0.59 -1.20 0.94 0.00 -0.02 0.00 0.00 41.12 41.43 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 6.41 1.00 0.00 2.24 0.00 -1.54 -2.09 119.26 125.28 2k9x h ALA 77 Ca -0.47 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2k9x h ALA 77 Cb 1.32 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2k9x h ALA 77 CO 0.89 0.00 -0.78 0.93 0.00 0.00 0.00 179.25 180.29 2k9x h GLU 78 N 0.00 0.00 -0.24 0.00 4.39 -1.80 0.21 114.58 117.13 2k9x h GLU 78 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2k9x h GLU 78 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k9x h GLU 78 CO 0.00 0.78 -0.37 0.28 -1.16 0.00 0.00 179.01 178.55 2k9x h VAL 79 N 0.00 1.31 0.00 3.13 2.07 -1.75 -3.11 116.25 117.91 2k9x h VAL 79 Ca -0.01 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 2k9x h VAL 79 Cb 1.40 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2k9x h VAL 79 CO 0.10 0.49 -0.36 -0.37 0.02 0.00 0.00 177.57 177.45 2k9x h VAL 80 N 0.39 1.14 0.00 2.57 -1.51 -1.59 -3.45 116.25 113.80 2k9x h VAL 80 Ca 0.02 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 2k9x h VAL 80 Cb 0.95 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2k9x h VAL 80 CO 0.08 0.35 0.00 0.61 -1.23 0.00 0.00 177.57 177.39 2k9x n GLY 81 N -0.33 0.00 6.89 5.19 0.00 -1.11 -4.76 105.19 111.07 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 0.39 0.68 -0.02 0.00 0.71 0.04 105.19 107.00 2k9x n GLY 82 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 46.02 46.78 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 1.34 -0.17 1.61 0.00 -1.26 -4.56 117.12 114.07 2k9x n MET 83 Ca 0.00 -3.06 0.10 0.00 0.00 0.00 0.00 57.70 54.74 2k9x n MET 83 Cb 0.00 -1.38 0.17 0.00 0.00 0.00 0.00 33.22 32.01 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 -0.91 2.75 -4.66 3.17 2.03 0.11 -3.81 116.55 115.22 2k9x n ASP 84 Ca 0.17 -3.06 -0.43 0.00 0.52 0.00 0.00 54.79 51.99 2k9x n ASP 84 Cb 0.75 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.85 3.35 0.66 -0.67 5.04 -1.26 -4.81 117.35 116.82 2k9x s TYR 85 Ca 0.34 1.41 -0.12 0.00 -2.44 0.00 0.00 57.07 56.26 2k9x s TYR 85 Cb 0.29 -3.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 2k9x s TYR 85 CO 0.05 -0.43 1.05 0.14 -1.34 0.00 0.00 175.55 175.02 2k9x s VAL 86 N 2.98 4.08 0.22 3.14 -7.23 -1.26 0.16 120.40 122.49 2k9x s VAL 86 Ca 0.42 0.75 -0.09 0.00 -1.81 0.00 0.00 61.98 61.26 2k9x s VAL 86 Cb -0.15 -3.46 -0.07 0.00 0.56 0.00 0.00 36.38 33.26 2k9x s VAL 86 CO 0.08 -0.81 0.53 -0.22 -0.31 0.00 0.00 175.10 174.36 2k9x s LEU 87 N -5.23 4.17 -0.02 1.32 2.96 -0.31 -4.86 118.68 116.72 2k9x s LEU 87 Ca 0.59 0.87 0.16 0.00 -0.22 0.00 0.00 54.13 55.53 2k9x s LEU 87 Cb -0.14 -3.63 0.27 0.00 0.50 0.00 0.00 46.19 43.19 2k9x s LEU 87 CO 0.50 -0.07 1.11 -3.20 -1.32 0.00 0.00 176.35 173.38 2k9x n ASN 88 N -0.16 0.22 -2.66 3.68 2.85 -1.26 -4.64 115.26 113.29 2k9x n ASN 88 Ca 0.00 -2.01 -0.03 0.00 -0.11 0.00 0.00 54.58 52.43 2k9x n ASN 88 Cb 0.52 -0.06 -0.03 0.00 1.24 0.00 0.00 39.78 41.45 2k9x n ASN 88 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2k9x n ASP 89 N 0.24 -3.44 0.00 1.20 8.00 -1.26 -4.86 116.55 116.42 2k9x n ASP 89 Ca -0.07 1.38 0.00 0.00 0.71 0.00 0.00 54.79 56.81 2k9x n ASP 89 Cb 0.96 -5.24 0.00 0.00 -0.02 0.00 0.00 41.12 36.82 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k9x n GLY 90 N 1.34 1.99 3.86 0.44 0.00 -1.18 -3.75 105.19 107.89 2k9x n GLY 90 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 4.84 -0.14 1.61 2.15 -1.26 -4.82 116.67 117.05 2k9x s ASP 91 Ca 0.00 1.10 -0.04 0.00 0.43 0.00 0.00 52.55 54.04 2k9x s ASP 91 Cb 0.00 -1.80 0.06 0.00 -0.30 0.00 0.00 42.92 40.88 2k9x s ASP 91 CO 0.00 -1.73 0.12 -0.89 -0.17 0.00 0.00 175.17 172.50 2k9x s THR 92 N -3.34 -0.16 -0.04 1.71 2.01 -1.26 0.59 115.64 115.15 2k9x s THR 92 Ca 0.60 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.68 2k9x s THR 92 Cb -0.12 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 2k9x s THR 92 CO 0.52 -0.12 -0.19 0.54 -0.69 0.00 0.00 174.62 174.68 2k9x s VAL 93 N 2.20 1.54 0.07 3.82 0.11 0.83 -0.43 120.40 128.54 2k9x s VAL 93 Ca 0.04 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 2k9x s VAL 93 Cb -0.15 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.36 2k9x s VAL 93 CO -0.08 0.44 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.44 2k9x s GLU 94 N -0.11 0.67 -0.28 1.54 2.02 -1.14 -2.82 118.70 118.58 2k9x s GLU 94 Ca -0.01 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.03 2k9x s GLU 94 Cb -0.11 -0.35 0.08 0.00 0.10 0.00 0.00 34.13 33.85 2k9x s GLU 94 CO 0.02 0.05 0.01 -0.06 0.02 0.00 0.00 175.26 175.30 2k9x s PHE 95 N -2.05 2.62 -0.22 1.61 0.08 -1.20 -3.11 117.98 115.72 2k9x s PHE 95 Ca -0.02 -2.11 -0.01 0.00 0.12 0.00 0.00 56.93 54.91 2k9x s PHE 95 Cb -0.05 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 2k9x s PHE 95 CO -0.01 -0.85 -0.12 0.42 -0.10 0.00 0.00 175.22 174.57 2k9x s ILE 96 N 1.31 2.58 -0.15 0.64 1.01 -1.22 -2.83 121.20 122.54 2k9x s ILE 96 Ca 0.03 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 2k9x s ILE 96 Cb -0.18 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2k9x s ILE 96 CO -0.12 0.34 0.70 -0.55 0.00 0.00 0.00 174.94 175.32 2k9x s SER 97 N 1.31 6.85 0.23 3.58 0.15 -1.23 0.50 113.70 125.09 2k9x s SER 97 Ca 0.02 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2k9x s SER 97 Cb -0.15 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2k9x s SER 97 CO -0.08 -0.26 0.00 0.35 1.20 0.00 0.00 173.24 174.46 2k9x n THR 98 N 4.41 0.13 -1.55 6.45 -2.24 0.85 -4.84 114.28 117.48 2k9x n THR 98 Ca 0.00 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 2k9x n THR 98 Cb 0.50 -0.63 0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 -6.69 3.29 0.14 3.22 2.96 -1.05 -4.98 118.68 115.57 2k9x s LEU 99 Ca 0.00 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 2k9x s LEU 99 Cb 0.00 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.14 2k9x s LEU 99 CO 0.00 -1.90 0.00 1.57 -1.32 0.00 0.00 176.35 174.70 2k9x n HIS 100 N -2.76 -1.28 -0.06 5.38 -0.00 -1.26 -4.07 115.22 111.17 2k9x n HIS 100 Ca 0.11 0.23 -0.05 0.00 -0.00 0.00 0.00 57.72 58.01 2k9x n HIS 100 Cb 0.52 0.54 -0.02 0.00 -0.00 0.00 0.00 29.99 31.04 2k9x n HIS 100 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k9x n GLY 101 N 1.51 -0.75 2.23 1.57 0.00 -1.26 -4.87 105.19 103.62 2k9x n GLY 101 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93