#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9x h SER 2 N 0.00 0.20 -0.49 7.83 0.87 -2.09 -3.45 113.55 116.41 2k9x h SER 2 Ca 0.00 -0.80 0.11 0.00 -1.23 0.00 0.00 61.79 59.87 2k9x h SER 2 Cb 0.00 -0.06 -0.19 0.00 -0.44 0.00 0.00 62.40 61.71 2k9x h SER 2 CO 0.00 0.98 -0.18 0.54 -0.53 0.00 0.00 176.83 177.64 2k9x s ASN 3 N -6.31 -0.78 0.75 6.23 4.22 -1.26 -5.17 114.94 112.62 2k9x s ASN 3 Ca -0.16 -0.12 -0.13 0.00 -2.14 0.00 0.00 52.86 50.31 2k9x s ASN 3 Cb 0.00 1.27 0.05 0.00 1.28 0.00 0.00 41.25 43.85 2k9x s ASN 3 CO 0.74 -0.12 1.12 -2.28 -2.04 0.00 0.00 177.10 174.52 2k9x s HIS 4 N 2.48 2.37 0.21 1.54 2.46 -1.26 -4.97 115.29 118.12 2k9x s HIS 4 Ca 0.19 1.60 -0.30 0.00 0.47 0.00 0.00 55.06 57.02 2k9x s HIS 4 Cb -0.02 -3.20 -0.09 0.00 -0.13 0.00 0.00 32.58 29.14 2k9x s HIS 4 CO -0.19 -2.04 1.27 0.54 -2.47 0.00 0.00 174.74 171.86 2k9x s ASN 5 N -2.78 6.95 -0.30 9.88 2.20 -1.26 -4.90 114.94 124.73 2k9x s ASN 5 Ca 0.66 2.39 -0.16 0.00 -0.94 0.00 0.00 52.86 54.81 2k9x s ASN 5 Cb -0.21 -2.61 0.18 0.00 -2.00 0.00 0.00 41.25 36.60 2k9x s ASN 5 CO 0.49 -0.47 1.14 -1.38 -2.94 0.00 0.00 177.10 173.94 2k9x s HIS 6 N -0.14 -0.36 0.38 1.54 -3.43 0.22 -4.82 115.29 108.68 2k9x s HIS 6 Ca 0.54 0.49 -0.10 0.00 -0.80 0.00 0.00 55.06 55.19 2k9x s HIS 6 Cb -0.36 0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 30.90 2k9x s HIS 6 CO 0.40 -0.19 0.73 0.42 -2.00 0.00 0.00 174.74 174.10 2k9x s ILE 7 N 2.59 4.82 -0.44 -5.38 -1.09 -1.03 -4.10 121.20 116.56 2k9x s ILE 7 Ca -0.02 0.55 0.04 0.00 -2.23 0.00 0.00 60.65 58.98 2k9x s ILE 7 Cb -0.06 -3.72 0.12 0.00 -1.58 0.00 0.00 42.46 37.21 2k9x s ILE 7 CO -0.13 -0.46 0.17 -0.89 -1.23 0.00 0.00 174.94 172.40 2k9x s THR 8 N -2.29 2.32 -0.28 2.92 2.01 -1.21 -3.83 115.64 115.29 2k9x s THR 8 Ca 0.50 -2.83 0.02 0.00 0.31 0.00 0.00 61.69 59.68 2k9x s THR 8 Cb -0.10 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.81 2k9x s THR 8 CO 0.30 -0.73 -0.06 0.54 -0.69 0.00 0.00 174.62 173.98 2k9x s VAL 9 N 0.27 2.44 0.15 3.82 0.11 -0.18 -0.40 120.40 126.61 2k9x s VAL 9 Ca 0.15 -1.61 0.03 0.00 -2.93 0.00 0.00 61.98 57.61 2k9x s VAL 9 Cb -0.23 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.12 2k9x s VAL 9 CO -0.04 -0.10 -0.04 0.00 -3.33 0.00 0.00 175.10 171.59 2k9x s GLN 10 N 1.13 1.04 0.15 1.54 0.00 -1.20 0.47 119.66 122.79 2k9x s GLN 10 Ca -0.06 -1.47 0.10 0.00 -0.00 0.00 0.00 55.36 53.92 2k9x s GLN 10 Cb -0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 33.01 32.40 2k9x s GLN 10 CO -0.04 -0.05 -0.23 -0.06 0.00 0.00 0.00 175.29 174.91 2k9x s PHE 11 N -3.55 2.10 0.18 9.60 0.08 -0.56 -3.02 117.98 122.82 2k9x s PHE 11 Ca 0.19 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.61 2k9x s PHE 11 Cb 0.05 -1.10 0.07 0.00 -0.57 0.00 0.00 43.02 41.47 2k9x s PHE 11 CO 0.01 0.35 1.00 0.00 -0.10 0.00 0.00 175.22 176.47 2k9x s ALA 12 N -1.40 -1.59 -1.69 5.36 0.00 -1.02 -4.59 121.76 116.83 2k9x s ALA 12 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 2k9x s ALA 12 Cb -0.09 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2k9x s ALA 12 CO 0.07 -1.05 0.24 0.41 0.00 0.00 0.00 175.76 175.43 2k9x n GLY 13 N -0.58 -0.51 1.59 0.00 0.00 -1.26 -2.08 105.19 102.35 2k9x n GLY 13 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.21 0.64 0.02 -0.02 0.00 -1.26 -2.81 105.19 100.55 2k9x n GLY 14 Ca -0.19 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.81 -0.22 114.58 116.66 2k9x h GLU 16 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2k9x h GLU 16 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k9x h GLU 16 CO 0.01 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.37 2k9x n LEU 17 N -4.11 0.09 -0.43 3.06 4.32 -1.26 -0.55 117.00 118.12 2k9x n LEU 17 Ca 0.01 0.53 0.02 0.00 -0.02 0.00 0.00 56.01 56.55 2k9x n LEU 17 Cb 0.28 -0.53 0.06 0.00 -1.62 0.00 0.00 43.42 41.61 2k9x n LEU 17 CO 0.31 -0.43 0.48 0.18 -1.22 0.00 0.00 177.39 176.71 2k9x n LEU 18 N -1.60 1.12 0.00 2.23 4.77 -0.09 -4.49 117.00 118.93 2k9x n LEU 18 Ca 0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2k9x n LEU 18 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2k9x n LEU 18 CO 0.08 0.23 0.00 0.33 -1.33 0.00 0.00 177.39 176.70 2k9x n PHE 19 N -0.03 -0.94 -2.42 -1.77 -0.00 -0.95 -4.06 117.46 107.29 2k9x n PHE 19 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.48 2k9x n PHE 19 Cb 0.22 0.46 0.04 0.00 -0.00 0.00 0.00 39.48 40.20 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 -2.37 0.34 -3.07 3.13 0.00 -1.08 -4.75 120.51 112.70 2k9x n ALA 20 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 2k9x n ALA 20 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.58 -3.48 -1.72 0.00 4.01 0.29 -4.96 118.16 111.72 2k9x n LYS 21 Ca -0.09 0.62 -0.30 0.00 -0.51 0.00 0.00 58.31 58.03 2k9x n LYS 21 Cb 0.63 -5.34 0.20 0.00 -0.51 0.00 0.00 35.03 30.02 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 -5.71 0.09 0.00 1.97 -1.52 -1.25 -4.95 119.66 108.30 2k9x s GLN 22 Ca 0.28 -0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.34 2k9x s GLN 22 Cb -0.14 -1.78 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 2k9x s GLN 22 CO 0.35 -2.79 0.00 0.25 -0.25 0.00 0.00 175.29 172.85 2k9x n THR 23 N -4.04 0.00 -4.20 -0.19 -2.24 -1.26 -4.60 114.28 97.74 2k9x n THR 23 Ca 0.15 0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.91 2k9x n THR 23 Cb 0.59 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.55 0.89 0.00 3.42 1.04 -1.26 -1.49 113.70 114.74 2k9x s SER 24 Ca 0.00 -1.17 -0.13 0.00 0.48 0.00 0.00 55.95 55.13 2k9x s SER 24 Cb 0.00 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2k9x s SER 24 CO 0.00 -0.62 0.27 -0.76 0.98 0.00 0.00 173.24 173.11 2k9x s LEU 25 N -3.12 1.02 -0.21 2.42 1.43 0.18 -4.93 118.68 115.48 2k9x s LEU 25 Ca 0.23 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2k9x s LEU 25 Cb 0.07 1.15 0.06 0.00 0.03 0.00 0.00 46.19 47.50 2k9x s LEU 25 CO 0.02 -0.47 0.02 -1.10 0.23 0.00 0.00 176.35 175.06 2k9x s GLN 26 N -1.60 0.85 -0.05 1.70 -0.21 -1.25 -1.01 119.66 118.09 2k9x s GLN 26 Ca -0.12 -0.57 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 2k9x s GLN 26 Cb -0.05 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 2k9x s GLN 26 CO 0.02 -0.65 0.23 -0.51 -2.12 0.00 0.00 175.29 172.27 2k9x s LEU 27 N 1.75 4.40 -0.22 2.90 1.43 -1.25 -4.77 118.68 122.91 2k9x s LEU 27 Ca -0.02 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.43 2k9x s LEU 27 Cb -0.17 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2k9x s LEU 27 CO -0.08 0.34 0.79 1.51 0.23 0.00 0.00 176.35 179.14 2k9x s ASP 28 N -1.29 6.82 0.37 2.29 -4.77 -1.26 -2.47 116.67 116.35 2k9x s ASP 28 Ca 0.21 1.01 -0.04 0.00 -3.30 0.00 0.00 52.55 50.43 2k9x s ASP 28 Cb -0.13 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2k9x s ASP 28 CO 0.10 -0.45 0.63 -0.83 0.70 0.00 0.00 175.17 175.32 2k9x s GLY 29 N 1.30 1.61 0.00 2.12 0.00 -1.26 -5.03 107.32 106.07 2k9x s GLY 29 Ca 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2k9x s GLY 29 CO 0.09 -0.50 0.00 3.33 0.00 0.00 0.00 173.10 176.02 2k9x n VAL 30 N -1.58 0.00 -3.21 1.40 0.24 -1.26 -4.94 118.33 108.98 2k9x n VAL 30 Ca -0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.05 2k9x n VAL 30 Cb 0.55 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 31.92 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 -2.66 -0.02 1.76 3.34 0.24 -1.26 -4.93 118.33 114.80 2k9x n VAL 31 Ca 0.00 -4.35 0.14 0.00 -2.04 0.00 0.00 64.34 58.09 2k9x n VAL 31 Cb 0.41 -1.64 0.83 0.00 -1.47 0.00 0.00 33.84 31.97 2k9x n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2k9x n PRO 32 N 1.05 0.88 0.32 7.34 -0.02 -1.26 -4.07 135.00 139.25 2k9x n PRO 32 Ca 0.23 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.53 2k9x n PRO 32 Cb 0.53 -1.49 -0.09 0.00 -0.02 0.00 0.00 33.50 32.43 2k9x n PRO 32 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2k9x h THR 33 N 0.00 0.10 -0.90 3.45 2.02 -1.92 -2.89 112.91 112.77 2k9x h THR 33 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.68 2k9x h THR 33 Cb 0.00 0.10 -0.20 0.00 -1.74 0.00 0.00 68.15 66.32 2k9x h THR 33 CO 0.00 0.00 0.59 0.61 0.37 0.00 0.00 175.52 177.09 2k9x n GLY 34 N -1.55 4.76 2.75 2.16 0.00 -1.26 -4.71 105.19 107.33 2k9x n GLY 34 Ca -0.12 -1.73 -0.25 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 -3.21 0.43 0.01 2.61 2.01 -1.09 -5.05 115.64 111.35 2k9x s THR 35 Ca 0.48 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2k9x s THR 35 Cb 0.36 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2k9x s THR 35 CO -0.10 0.00 0.02 -0.46 -0.69 0.00 0.00 174.62 173.39 2k9x n ASN 36 N 5.11 0.06 -0.28 3.53 0.23 -1.26 -0.70 115.26 121.95 2k9x n ASN 36 Ca -0.08 -1.03 0.02 0.00 -0.53 0.00 0.00 54.58 52.96 2k9x n ASN 36 Cb 0.49 -0.01 0.16 0.00 -2.08 0.00 0.00 39.78 38.33 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 0.60 -1.19 -4.53 6.46 -1.63 0.20 115.31 115.22 2k9x h LEU 37 Ca -0.01 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.89 2k9x h LEU 37 Cb 0.02 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.83 2k9x h LEU 37 CO 0.01 0.34 0.57 -1.13 -0.62 0.00 0.00 178.44 177.61 2k9x h ASN 38 N 0.73 0.83 0.45 1.25 -0.73 -1.87 -0.53 115.58 115.71 2k9x h ASN 38 Ca 0.38 0.01 -0.21 0.00 1.87 0.00 0.00 56.30 58.35 2k9x h ASN 38 Cb 0.36 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 2k9x h ASN 38 CO -0.25 0.52 -0.91 1.23 -0.37 0.00 0.00 177.43 177.64 2k9x h GLY 39 N 0.94 0.35 0.89 1.57 0.00 -1.40 -2.79 103.07 102.61 2k9x h GLY 39 Ca 0.39 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2k9x h GLY 39 CO -0.16 0.55 -0.09 -2.00 0.00 0.00 0.00 176.54 174.84 2k9x h LEU 40 N 0.18 -0.21 0.70 3.11 5.85 0.58 -1.06 115.31 124.46 2k9x h LEU 40 Ca -0.06 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2k9x h LEU 40 Cb 1.55 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2k9x h LEU 40 CO 0.15 -0.04 -0.38 -0.37 -0.34 0.00 0.00 178.44 177.46 2k9x h VAL 41 N -0.36 0.23 -0.92 1.05 -1.51 -1.24 -2.31 116.25 111.18 2k9x h VAL 41 Ca -0.03 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.69 2k9x h VAL 41 Cb 0.28 0.23 -0.05 0.00 -2.13 0.00 0.00 31.29 29.61 2k9x h VAL 41 CO 0.04 0.00 0.64 -0.61 -1.23 0.00 0.00 177.57 176.41 2k9x h GLN 42 N -1.00 0.18 0.00 5.19 4.15 -1.52 0.38 115.11 122.49 2k9x h GLN 42 Ca -0.09 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 2k9x h GLN 42 Cb 0.79 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2k9x h GLN 42 CO 0.12 0.12 -0.41 1.25 -1.93 0.00 0.00 178.83 177.99 2k9x h LEU 43 N 0.18 0.00 0.03 -2.39 6.46 -0.65 -2.34 115.31 116.61 2k9x h LEU 43 Ca 0.46 0.00 -0.38 0.00 -0.12 0.00 0.00 57.88 57.84 2k9x h LEU 43 Cb 1.52 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.39 2k9x h LEU 43 CO -0.10 0.41 -2.31 0.00 -0.62 0.00 0.00 178.44 175.82 2k9x n LEU 44 N -3.74 2.76 -0.03 2.25 -0.00 0.10 -4.05 117.00 114.29 2k9x n LEU 44 Ca -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2k9x n LEU 44 Cb 0.48 -0.96 -0.00 0.00 -0.00 0.00 0.00 43.42 42.94 2k9x n LEU 44 CO 0.38 0.86 -0.04 0.07 -0.00 0.00 0.00 177.39 178.67 2k9x h LYS 45 N -0.10 0.00 -0.12 1.47 2.10 -0.73 0.22 116.57 119.40 2k9x h LYS 45 Ca -0.54 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.15 2k9x h LYS 45 Cb 1.89 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.22 2k9x h LYS 45 CO -0.07 0.00 0.19 1.15 -2.00 0.00 0.00 179.45 178.72 2k9x h THR 46 N -0.48 0.31 0.07 0.07 2.02 -1.60 0.65 112.91 113.94 2k9x h THR 46 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 2k9x h THR 46 Cb 0.05 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2k9x h THR 46 CO 0.00 0.00 -2.14 -3.20 0.37 0.00 0.00 175.52 170.55 2k9x n ASN 47 N -3.53 2.05 -2.95 4.18 5.15 -1.11 -4.79 115.26 114.27 2k9x n ASN 47 Ca 0.00 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 53.96 2k9x n ASN 47 Cb 0.30 -0.71 0.03 0.00 -0.53 0.00 0.00 39.78 38.87 2k9x n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k9x n TYR 48 N -3.51 -1.36 0.10 1.20 4.19 0.04 -4.96 117.16 112.86 2k9x n TYR 48 Ca -0.38 -2.94 -0.16 0.00 3.31 0.00 0.00 57.90 57.73 2k9x n TYR 48 Cb 1.00 0.63 -0.12 0.00 0.49 0.00 0.00 39.34 41.34 2k9x n TYR 48 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2k9x h VAL 49 N 2.03 1.45 -0.06 2.97 3.04 0.60 -3.41 116.25 122.87 2k9x h VAL 49 Ca -0.01 -2.86 -0.03 0.00 -1.01 0.00 0.00 66.70 62.80 2k9x h VAL 49 Cb 1.04 2.81 -0.01 0.00 -2.01 0.00 0.00 31.29 33.12 2k9x h VAL 49 CO 0.31 0.84 -0.02 0.29 -1.01 0.00 0.00 177.57 177.98 2k9x n LYS 50 N -3.61 -1.51 -2.11 4.17 5.02 -1.26 -4.07 118.16 114.79 2k9x n LYS 50 Ca -0.09 0.44 -0.04 0.00 -2.02 0.00 0.00 58.31 56.60 2k9x n LYS 50 Cb 0.98 -4.59 -0.00 0.00 -0.02 0.00 0.00 35.03 31.39 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 -0.12 0.28 -2.15 1.97 4.07 -1.26 -4.63 120.64 118.82 2k9x n GLU 51 Ca -0.01 -0.79 -0.41 0.00 -0.06 0.00 0.00 57.16 55.88 2k9x n GLU 51 Cb 0.40 0.86 -0.03 0.00 -0.06 0.00 0.00 31.44 32.61 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 -2.15 4.35 0.38 5.31 1.81 -1.26 -4.93 118.95 122.47 2k9x s ARG 52 Ca 0.07 2.15 0.21 0.00 -1.72 0.00 0.00 55.73 56.43 2k9x s ARG 52 Cb -0.01 -3.15 0.42 0.00 -0.45 0.00 0.00 34.95 31.77 2k9x s ARG 52 CO 0.05 -0.28 1.61 -1.00 -0.68 0.00 0.00 175.30 175.01 2k9x h PRO 53 N 4.92 0.00 -0.28 3.54 0.13 -1.98 -3.20 132.00 135.12 2k9x h PRO 53 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k9x h PRO 53 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k9x h PRO 53 CO 0.75 0.26 0.00 -0.25 -0.23 0.00 0.00 178.00 178.54 2k9x n ASP 54 N -3.22 1.97 0.08 1.44 8.00 -1.26 -3.53 116.55 120.04 2k9x n ASP 54 Ca 0.02 -1.86 0.12 0.00 0.71 0.00 0.00 54.79 53.78 2k9x n ASP 54 Cb 0.58 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k9x h LEU 55 N 2.39 0.00 0.00 0.64 8.10 -1.96 -3.40 115.31 121.08 2k9x h LEU 55 Ca 0.00 -0.11 -0.19 0.00 0.11 0.00 0.00 57.88 57.68 2k9x h LEU 55 Cb 0.53 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 2k9x h LEU 55 CO 0.00 0.06 -1.68 0.00 -4.11 0.00 0.00 178.44 172.71 2k9x n LEU 56 N -2.41 1.72 -4.66 0.17 -0.00 -1.25 -4.92 117.00 105.64 2k9x n LEU 56 Ca 0.01 0.07 -0.38 0.00 -0.00 0.00 0.00 56.01 55.71 2k9x n LEU 56 Cb 0.50 -0.38 0.05 0.00 -0.00 0.00 0.00 43.42 43.59 2k9x n LEU 56 CO 0.39 0.43 0.71 1.33 -0.00 0.00 0.00 177.39 180.25 2k9x n VAL 57 N -3.27 3.82 0.18 1.47 0.24 -1.23 0.62 118.33 120.16 2k9x n VAL 57 Ca -0.23 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.43 2k9x n VAL 57 Cb 0.69 -1.32 -0.08 0.00 -1.47 0.00 0.00 33.84 31.66 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 0.81 -0.36 0.00 -1.34 3.58 -0.28 -3.31 116.42 115.51 2k9x h ASP 58 Ca -0.49 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2k9x h ASP 58 Cb 1.34 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2k9x h ASP 58 CO 0.53 -0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.79 2k9x n GLN 59 N -5.19 0.00 -0.20 0.28 6.02 -1.26 -4.74 117.38 112.29 2k9x n GLN 59 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.93 2k9x n GLN 59 Cb 0.24 0.00 0.13 0.00 1.02 0.00 0.00 30.24 31.63 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k9x n THR 60 N -1.19 0.56 -1.72 5.09 -2.24 -1.26 -4.88 114.28 108.65 2k9x n THR 60 Ca 0.00 -0.42 -0.18 0.00 -2.27 0.00 0.00 64.05 61.19 2k9x n THR 60 Cb 0.00 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.74 1.22 0.07 3.38 0.00 -1.26 -4.79 105.19 104.55 2k9x n GLY 61 Ca 0.10 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 -2.35 1.11 -4.24 1.61 7.27 -1.26 -5.00 117.38 114.52 2k9x n GLN 62 Ca -0.19 0.05 -0.24 0.00 0.07 0.00 0.00 57.00 56.69 2k9x n GLN 62 Cb 0.60 -1.32 -0.07 0.00 2.41 0.00 0.00 30.24 31.87 2k9x n GLN 62 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2k9x n THR 63 N -2.74 0.00 -4.01 1.69 5.66 -1.26 -4.78 114.28 108.85 2k9x n THR 63 Ca -0.24 -2.19 -0.27 0.00 -3.05 0.00 0.00 64.05 58.29 2k9x n THR 63 Cb 0.84 0.75 -0.05 0.00 -1.55 0.00 0.00 70.33 70.33 2k9x n THR 63 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2k9x s LEU 64 N 0.00 4.06 0.53 1.09 1.43 -1.26 0.32 118.68 124.85 2k9x s LEU 64 Ca 0.17 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 2k9x s LEU 64 Cb 0.01 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 2k9x s LEU 64 CO 0.12 0.09 0.99 0.00 0.23 0.00 0.00 176.35 177.78 2k9x s ARG 65 N -2.98 3.89 0.23 1.70 1.70 0.20 -4.07 118.95 119.62 2k9x s ARG 65 Ca 0.32 0.94 -0.31 0.00 -0.47 0.00 0.00 55.73 56.22 2k9x s ARG 65 Cb -0.11 -2.13 -0.14 0.00 -0.57 0.00 0.00 34.95 32.01 2k9x s ARG 65 CO 0.26 -0.32 1.33 -2.30 -1.08 0.00 0.00 175.30 173.19 2k9x n PRO 66 N -1.71 1.82 0.00 3.89 -0.02 -1.26 -3.86 135.00 133.86 2k9x n PRO 66 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2k9x n PRO 66 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.01 3.98 3.85 -1.23 0.00 -1.26 -4.96 105.19 107.57 2k9x n GLY 67 Ca 0.12 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2k9x n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k9x s ILE 68 N 0.00 5.04 -0.47 -0.61 1.01 -1.25 -0.54 121.20 124.38 2k9x s ILE 68 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 2k9x s ILE 68 Cb 0.00 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.90 2k9x s ILE 68 CO 0.00 0.40 0.35 -0.22 0.00 0.00 0.00 174.94 175.47 2k9x s LEU 69 N -1.59 5.64 0.19 2.97 2.96 0.19 -4.89 118.68 124.14 2k9x s LEU 69 Ca 0.30 -1.74 -0.30 0.00 -0.22 0.00 0.00 54.13 52.17 2k9x s LEU 69 Cb -0.15 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 44.41 2k9x s LEU 69 CO 0.16 -0.68 1.05 0.68 -1.32 0.00 0.00 176.35 176.25 2k9x s VAL 70 N 1.44 3.96 0.04 1.68 -7.23 -1.26 -2.98 120.40 116.06 2k9x s VAL 70 Ca 0.04 1.75 0.04 0.00 -1.81 0.00 0.00 61.98 62.01 2k9x s VAL 70 Cb -0.26 -4.12 -0.02 0.00 0.56 0.00 0.00 36.38 32.54 2k9x s VAL 70 CO 0.01 0.33 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.25 2k9x s LEU 71 N -0.57 2.19 -0.05 1.32 1.43 -1.16 -3.34 118.68 118.50 2k9x s LEU 71 Ca 0.47 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2k9x s LEU 71 Cb -0.28 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.44 2k9x s LEU 71 CO 0.34 -0.02 -0.14 -0.69 0.23 0.00 0.00 176.35 176.08 2k9x s VAL 72 N -0.96 1.20 -1.84 -1.59 1.01 -1.19 -2.34 120.40 114.68 2k9x s VAL 72 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2k9x s VAL 72 Cb -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2k9x s VAL 72 CO 0.01 0.36 0.00 0.59 0.00 0.00 0.00 175.10 176.06 2k9x n ASN 73 N 3.37 -5.46 -2.69 3.32 4.13 -1.06 -1.64 115.26 115.23 2k9x n ASN 73 Ca -0.19 0.20 -0.18 0.00 1.68 0.00 0.00 54.58 56.08 2k9x n ASN 73 Cb 0.53 -4.66 0.00 0.00 -1.54 0.00 0.00 39.78 34.11 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k9x n SER 74 N -1.69 -4.81 0.00 6.41 2.88 -1.26 -4.78 113.62 110.37 2k9x n SER 74 Ca -0.22 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 2k9x n SER 74 Cb 0.67 -4.00 0.00 0.00 -0.75 0.00 0.00 64.21 60.13 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 -2.64 0.00 0.11 0.00 8.00 -0.96 -4.90 116.55 116.16 2k9x n ASP 76 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 2k9x n ASP 76 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.00 0.67 0.06 2.24 0.00 -1.79 -3.16 119.26 117.28 2k9x h ALA 77 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 2k9x h ALA 77 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k9x h ALA 77 CO 0.00 0.38 -1.09 0.93 0.00 0.00 0.00 179.25 179.47 2k9x h GLU 78 N 0.00 0.17 -0.32 0.00 5.08 -1.87 0.21 114.58 117.84 2k9x h GLU 78 Ca -0.05 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2k9x h GLU 78 Cb 1.24 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2k9x h GLU 78 CO 0.03 1.10 0.20 0.28 -1.00 0.00 0.00 179.01 179.62 2k9x h VAL 79 N 0.06 1.10 0.00 3.13 2.07 -1.96 -2.12 116.25 118.53 2k9x h VAL 79 Ca -0.08 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2k9x h VAL 79 Cb 1.81 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2k9x h VAL 79 CO 0.17 0.10 -0.09 -0.37 0.02 0.00 0.00 177.57 177.40 2k9x h VAL 80 N 0.42 0.41 0.00 2.57 -1.51 -1.68 -3.45 116.25 113.02 2k9x h VAL 80 Ca 0.12 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2k9x h VAL 80 Cb -0.01 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2k9x h VAL 80 CO -0.02 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 2k9x n GLY 81 N -0.59 0.83 0.00 5.19 0.00 -0.80 -4.39 105.19 105.42 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 2.79 0.97 -0.02 0.00 0.72 -4.41 105.19 105.24 2k9x n GLY 82 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.55 1.61 0.00 -1.26 -4.80 117.12 112.12 2k9x n MET 83 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 57.70 56.67 2k9x n MET 83 Cb 0.00 0.17 0.04 0.00 0.00 0.00 0.00 33.22 33.43 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 0.12 0.68 -4.61 3.17 2.03 -1.26 -3.86 116.55 112.82 2k9x n ASP 84 Ca -0.11 -2.30 -0.43 0.00 0.52 0.00 0.00 54.79 52.46 2k9x n ASP 84 Cb 0.77 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.73 2.97 0.46 -0.67 5.04 -1.26 -4.73 117.35 118.42 2k9x s TYR 85 Ca 0.13 0.90 -0.25 0.00 -2.44 0.00 0.00 57.07 55.41 2k9x s TYR 85 Cb 0.12 -4.08 -0.08 0.00 0.35 0.00 0.00 41.96 38.28 2k9x s TYR 85 CO -0.02 -1.04 1.36 0.14 -1.34 0.00 0.00 175.55 174.65 2k9x s VAL 86 N 4.05 2.30 0.25 3.14 -7.23 -1.26 -2.38 120.40 119.27 2k9x s VAL 86 Ca 0.46 0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 60.63 2k9x s VAL 86 Cb -0.09 -3.14 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 2k9x s VAL 86 CO 0.24 0.03 0.86 -0.76 -0.31 0.00 0.00 175.10 175.16 2k9x s LEU 87 N -2.80 4.47 -0.31 1.32 1.02 0.13 -4.96 118.68 117.55 2k9x s LEU 87 Ca 0.62 1.73 0.14 0.00 0.02 0.00 0.00 54.13 56.64 2k9x s LEU 87 Cb -0.40 -3.66 0.47 0.00 0.02 0.00 0.00 46.19 42.61 2k9x s LEU 87 CO 0.51 0.07 1.11 -3.20 0.02 0.00 0.00 176.35 174.87 2k9x n ASN 88 N 1.05 3.17 -2.16 2.29 5.15 -1.26 -4.25 115.26 119.24 2k9x n ASN 88 Ca -0.02 -2.97 -0.15 0.00 -0.60 0.00 0.00 54.58 50.84 2k9x n ASN 88 Cb 0.49 -0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 39.28 2k9x n ASN 88 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k9x n ASP 89 N -0.54 -4.50 -1.98 1.20 8.00 -1.26 -4.70 116.55 112.78 2k9x n ASP 89 Ca 0.25 0.19 -0.01 0.00 0.71 0.00 0.00 54.79 55.93 2k9x n ASP 89 Cb 0.84 -3.86 0.04 0.00 -0.02 0.00 0.00 41.12 38.12 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 -0.72 -0.03 3.61 0.44 0.00 -1.26 -0.61 105.19 106.62 2k9x n GLY 90 Ca -0.18 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.37 6.71 -0.08 1.61 -1.08 -1.26 -4.84 116.67 117.35 2k9x s ASP 91 Ca 0.03 0.62 -0.25 0.00 -0.52 0.00 0.00 52.55 52.44 2k9x s ASP 91 Cb 0.15 -2.48 -0.03 0.00 -1.46 0.00 0.00 42.92 39.09 2k9x s ASP 91 CO -0.04 -0.90 0.78 -0.89 0.52 0.00 0.00 175.17 174.63 2k9x s THR 92 N 3.60 4.98 -0.02 1.71 2.01 -1.26 -3.31 115.64 123.35 2k9x s THR 92 Ca 0.40 1.59 -0.00 0.00 0.31 0.00 0.00 61.69 63.99 2k9x s THR 92 Cb -0.11 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.31 2k9x s THR 92 CO 0.20 0.19 0.03 0.54 -0.69 0.00 0.00 174.62 174.88 2k9x s VAL 93 N 1.12 -0.04 0.19 3.82 0.11 0.46 -2.55 120.40 123.51 2k9x s VAL 93 Ca 0.40 0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.65 2k9x s VAL 93 Cb -0.18 -0.06 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 2k9x s VAL 93 CO 0.19 0.06 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.31 2k9x s GLU 94 N 0.70 1.24 -0.25 1.54 2.02 -0.99 -3.24 118.70 119.72 2k9x s GLU 94 Ca -0.06 -1.56 -0.02 0.00 0.02 0.00 0.00 54.97 53.35 2k9x s GLU 94 Cb -0.08 -0.83 0.08 0.00 0.10 0.00 0.00 34.13 33.40 2k9x s GLU 94 CO -0.02 0.08 0.07 -0.06 0.02 0.00 0.00 175.26 175.35 2k9x s PHE 95 N -3.20 1.21 -0.27 1.61 0.40 -1.17 -3.01 117.98 113.55 2k9x s PHE 95 Ca 0.22 -1.21 -0.02 0.00 -0.60 0.00 0.00 56.93 55.31 2k9x s PHE 95 Cb 0.02 -1.28 0.04 0.00 0.51 0.00 0.00 43.02 42.31 2k9x s PHE 95 CO 0.05 -0.75 -0.03 0.42 0.70 0.00 0.00 175.22 175.61 2k9x s ILE 96 N 1.79 2.96 0.26 0.64 1.01 -1.16 -2.42 121.20 124.28 2k9x s ILE 96 Ca 0.04 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2k9x s ILE 96 Cb -0.17 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.62 2k9x s ILE 96 CO -0.19 0.06 0.99 -0.55 0.00 0.00 0.00 174.94 175.25 2k9x s SER 97 N 1.30 7.51 0.05 3.58 0.15 -1.12 0.52 113.70 125.69 2k9x s SER 97 Ca -0.02 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2k9x s SER 97 Cb -0.18 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2k9x s SER 97 CO -0.03 0.05 0.00 0.35 1.20 0.00 0.00 173.24 174.81 2k9x n THR 98 N 1.32 0.42 -3.20 6.45 -2.24 0.30 -4.60 114.28 112.73 2k9x n THR 98 Ca -0.01 0.14 -0.44 0.00 -2.27 0.00 0.00 64.05 61.46 2k9x n THR 98 Cb 0.47 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2k9x n THR 98 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2k9x n LEU 99 N -3.16 5.70 -4.26 3.22 0.00 -1.20 -4.99 117.00 112.31 2k9x n LEU 99 Ca 0.00 -4.99 -0.14 0.00 0.00 0.00 0.00 56.01 50.88 2k9x n LEU 99 Cb 0.25 -1.46 -0.10 0.00 0.00 0.00 0.00 43.42 42.11 2k9x n LEU 99 CO 0.00 1.34 -0.36 -1.38 0.00 0.00 0.00 177.39 176.99 2k9x s HIS 100 N -1.18 1.28 0.00 1.96 -3.43 -1.26 -4.74 115.29 107.91 2k9x s HIS 100 Ca 0.33 -0.90 0.00 0.00 -0.80 0.00 0.00 55.06 53.69 2k9x s HIS 100 Cb -0.06 -0.71 0.00 0.00 -1.43 0.00 0.00 32.58 30.38 2k9x s HIS 100 CO -0.03 -0.07 0.00 0.41 -2.00 0.00 0.00 174.74 173.05 2k9x n GLY 101 N -0.25 1.30 0.96 -1.38 0.00 -1.26 -5.22 105.19 99.34 2k9x n GLY 101 Ca -0.08 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93