#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 -5.09 -2.67 7.83 7.64 -1.26 -5.02 113.62 115.06 2k9x n SER 2 Ca 0.00 1.08 -0.06 0.00 1.01 0.00 0.00 58.87 60.90 2k9x n SER 2 Cb 0.00 -2.61 0.10 0.00 -1.01 0.00 0.00 64.21 60.69 2k9x n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2k9x n ASN 3 N -2.04 -1.71 -4.10 6.43 6.94 -1.26 -5.15 115.26 114.37 2k9x n ASN 3 Ca 0.00 -2.29 -0.10 0.00 -0.02 0.00 0.00 54.58 52.18 2k9x n ASN 3 Cb 0.26 0.96 -0.09 0.00 -2.36 0.00 0.00 39.78 38.55 2k9x n ASN 3 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2k9x s HIS 4 N 0.16 0.73 -0.17 -2.53 -3.43 -1.26 -5.14 115.29 103.65 2k9x s HIS 4 Ca 0.17 -1.11 -0.21 0.00 -0.80 0.00 0.00 55.06 53.12 2k9x s HIS 4 Cb 0.35 -0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 31.10 2k9x s HIS 4 CO -0.08 -0.57 0.62 -0.80 -2.00 0.00 0.00 174.74 171.91 2k9x s ASN 5 N -3.02 6.72 -0.30 7.38 -0.87 -1.26 -4.62 114.94 118.97 2k9x s ASN 5 Ca 0.22 0.87 -0.04 0.00 -1.57 0.00 0.00 52.86 52.34 2k9x s ASN 5 Cb 0.06 -2.35 0.19 0.00 -0.02 0.00 0.00 41.25 39.13 2k9x s ASN 5 CO 0.01 -0.23 0.84 -1.00 -2.57 0.00 0.00 177.10 174.15 2k9x s HIS 6 N 1.66 -1.10 -0.17 2.20 3.76 -1.26 -4.81 115.29 115.58 2k9x s HIS 6 Ca 0.29 0.76 -0.19 0.00 -0.15 0.00 0.00 55.06 55.77 2k9x s HIS 6 Cb -0.16 0.23 -0.03 0.00 1.11 0.00 0.00 32.58 33.73 2k9x s HIS 6 CO 0.11 -0.63 0.52 0.42 -0.85 0.00 0.00 174.74 174.32 2k9x s ILE 7 N 2.90 5.12 -0.79 0.60 1.09 -0.95 -4.12 121.20 125.05 2k9x s ILE 7 Ca 0.17 1.00 -0.22 0.00 -1.10 0.00 0.00 60.65 60.49 2k9x s ILE 7 Cb -0.07 -3.85 0.07 0.00 -1.06 0.00 0.00 42.46 37.55 2k9x s ILE 7 CO -0.22 0.22 1.13 -0.89 -0.10 0.00 0.00 174.94 175.08 2k9x s THR 8 N 1.33 4.25 -0.33 2.92 2.01 -0.37 -3.06 115.64 122.39 2k9x s THR 8 Ca 0.26 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 2k9x s THR 8 Cb -0.15 -4.81 0.07 0.00 0.01 0.00 0.00 72.50 67.62 2k9x s THR 8 CO 0.10 -1.61 0.05 0.54 -0.69 0.00 0.00 174.62 173.00 2k9x s VAL 9 N 4.17 2.86 0.07 3.82 0.11 -0.94 -0.96 120.40 129.53 2k9x s VAL 9 Ca 0.31 -1.73 0.02 0.00 -2.93 0.00 0.00 61.98 57.65 2k9x s VAL 9 Cb -0.10 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 2k9x s VAL 9 CO 0.03 -0.32 -0.07 0.00 -3.33 0.00 0.00 175.10 171.42 2k9x s GLN 10 N 1.15 0.67 -0.04 1.54 0.00 -1.20 -0.44 119.66 121.36 2k9x s GLN 10 Ca 0.00 -1.07 0.07 0.00 -0.00 0.00 0.00 55.36 54.36 2k9x s GLN 10 Cb -0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 33.01 32.59 2k9x s GLN 10 CO -0.03 0.00 -0.24 -0.06 0.00 0.00 0.00 175.29 174.96 2k9x s PHE 11 N -2.66 2.43 0.66 9.60 0.08 -0.61 -3.20 117.98 124.27 2k9x s PHE 11 Ca 0.02 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2k9x s PHE 11 Cb -0.01 -1.55 0.13 0.00 -0.57 0.00 0.00 43.02 41.02 2k9x s PHE 11 CO -0.03 -0.05 0.90 0.00 -0.10 0.00 0.00 175.22 175.95 2k9x n ALA 12 N 2.56 0.12 -1.55 5.36 0.00 -0.79 -4.67 120.51 121.55 2k9x n ALA 12 Ca -0.17 -1.74 -0.30 0.00 0.00 0.00 0.00 53.44 51.23 2k9x n ALA 12 Cb 0.51 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.19 2k9x n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k9x n GLY 13 N -1.88 0.05 0.00 0.00 0.00 -1.26 -1.63 105.19 100.47 2k9x n GLY 13 Ca 0.15 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 6.24 2.48 0.67 -0.02 0.00 -1.26 -4.39 105.19 108.90 2k9x n GLY 14 Ca 0.42 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 2.19 0.33 0.00 0.00 5.08 -1.81 -3.30 114.58 117.07 2k9x h GLU 16 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2k9x h GLU 16 Cb 0.72 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2k9x h GLU 16 CO 0.00 1.22 0.00 1.28 -1.00 0.00 0.00 179.01 180.51 2k9x n LEU 17 N -3.53 0.00 -0.81 1.33 4.32 -1.26 -0.64 117.00 116.42 2k9x n LEU 17 Ca -0.19 0.23 0.05 0.00 -0.02 0.00 0.00 56.01 56.08 2k9x n LEU 17 Cb 1.06 -0.23 0.16 0.00 -1.62 0.00 0.00 43.42 42.79 2k9x n LEU 17 CO 0.52 -0.12 0.59 0.18 -1.22 0.00 0.00 177.39 177.34 2k9x n LEU 18 N -1.23 2.29 0.15 2.23 4.77 -1.24 -4.34 117.00 119.63 2k9x n LEU 18 Ca 0.08 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 2k9x n LEU 18 Cb 0.11 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2k9x n LEU 18 CO 0.11 0.44 0.00 0.33 -1.33 0.00 0.00 177.39 176.93 2k9x n PHE 19 N 0.41 -2.91 -2.16 -1.77 7.35 -1.10 -4.03 117.46 113.24 2k9x n PHE 19 Ca 0.12 0.72 -0.00 0.00 -0.76 0.00 0.00 57.45 57.52 2k9x n PHE 19 Cb 0.43 1.57 0.01 0.00 0.35 0.00 0.00 39.48 41.83 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 -3.31 -1.33 -2.97 3.13 0.00 -1.15 -4.39 120.51 110.49 2k9x n ALA 20 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 2k9x n ALA 20 Cb 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.10 -3.04 -1.93 0.00 4.01 0.19 -4.94 118.16 112.35 2k9x n LYS 21 Ca -0.02 0.53 -0.29 0.00 -0.51 0.00 0.00 58.31 58.01 2k9x n LYS 21 Cb 0.45 -5.19 0.14 0.00 -0.51 0.00 0.00 35.03 29.92 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 -5.60 1.23 -0.00 1.97 -1.52 -1.25 -4.95 119.66 109.54 2k9x s GLN 22 Ca 0.23 -0.19 -0.00 0.00 -1.95 0.00 0.00 55.36 53.45 2k9x s GLN 22 Cb -0.12 -1.90 -0.00 0.00 -0.22 0.00 0.00 33.01 30.77 2k9x s GLN 22 CO 0.29 -2.04 -0.01 0.25 -0.25 0.00 0.00 175.29 173.53 2k9x n THR 23 N -3.56 0.04 -4.08 -0.19 -2.24 -1.26 -4.63 114.28 98.37 2k9x n THR 23 Ca 0.12 0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 62.05 2k9x n THR 23 Cb 0.60 -1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.48 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 -4.58 0.32 0.18 3.42 1.04 -1.26 -1.58 113.70 111.24 2k9x s SER 24 Ca -0.00 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 2k9x s SER 24 Cb 0.00 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2k9x s SER 24 CO 0.01 -0.71 0.39 -0.76 0.98 0.00 0.00 173.24 173.15 2k9x s LEU 25 N -2.98 0.58 -0.31 2.42 1.43 0.42 -4.95 118.68 115.30 2k9x s LEU 25 Ca 0.16 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2k9x s LEU 25 Cb 0.07 1.60 0.10 0.00 0.03 0.00 0.00 46.19 47.98 2k9x s LEU 25 CO -0.04 -0.97 0.08 -1.10 0.23 0.00 0.00 176.35 174.55 2k9x s GLN 26 N -3.93 0.93 0.23 1.70 1.11 -1.25 -2.23 119.66 116.21 2k9x s GLN 26 Ca 0.14 -1.21 -0.25 0.00 0.01 0.00 0.00 55.36 54.05 2k9x s GLN 26 Cb 0.01 -2.29 -0.09 0.00 -1.01 0.00 0.00 33.01 29.64 2k9x s GLN 26 CO -0.01 -0.94 0.82 -0.51 0.01 0.00 0.00 175.29 174.67 2k9x s LEU 27 N 1.46 4.48 -0.41 2.90 1.43 -1.17 -4.76 118.68 122.61 2k9x s LEU 27 Ca 0.09 1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 54.81 2k9x s LEU 27 Cb -0.18 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.57 2k9x s LEU 27 CO -0.20 0.10 0.22 -1.81 0.23 0.00 0.00 176.35 174.89 2k9x s ASP 28 N -1.38 5.35 0.67 2.29 1.01 -1.26 -2.23 116.67 121.12 2k9x s ASP 28 Ca 0.41 -1.87 0.03 0.00 0.71 0.00 0.00 52.55 51.83 2k9x s ASP 28 Cb -0.21 -1.87 0.12 0.00 1.01 0.00 0.00 42.92 41.97 2k9x s ASP 28 CO 0.25 -0.54 0.89 0.61 0.21 0.00 0.00 175.17 176.58 2k9x n GLY 29 N 4.69 1.04 1.46 0.21 0.00 -1.26 -5.07 105.19 106.26 2k9x n GLY 29 Ca -0.05 -2.08 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 -2.60 0.00 -2.97 1.61 0.24 -1.26 -4.95 118.33 108.40 2k9x n VAL 30 Ca 0.15 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.29 2k9x n VAL 30 Cb 0.56 -0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.37 0.56 1.76 3.34 0.24 -1.26 -4.92 118.33 115.68 2k9x n VAL 31 Ca 0.00 -4.20 0.03 0.00 -2.04 0.00 0.00 64.34 58.13 2k9x n VAL 31 Cb 0.07 -0.10 0.12 0.00 -1.47 0.00 0.00 33.84 32.46 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 0.10 1.18 -0.23 7.34 -0.04 -1.26 -4.09 135.00 138.00 2k9x n PRO 32 Ca 0.21 -0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2k9x n PRO 32 Cb 0.69 -1.11 0.38 0.00 -0.04 0.00 0.00 33.50 33.43 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 0.47 0.90 -0.65 0.52 2.02 -1.92 -0.18 112.91 114.06 2k9x h THR 33 Ca 0.00 -0.23 -0.33 0.00 0.77 0.00 0.00 66.41 66.61 2k9x h THR 33 Cb 0.11 0.16 -0.20 0.00 -1.74 0.00 0.00 68.15 66.47 2k9x h THR 33 CO 0.00 0.12 0.42 0.61 0.37 0.00 0.00 175.52 177.05 2k9x n GLY 34 N -1.45 3.61 2.99 2.16 0.00 -1.26 -4.53 105.19 106.71 2k9x n GLY 34 Ca 0.15 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.17 0.73 0.36 2.61 2.01 -0.08 -5.06 115.64 114.04 2k9x s THR 35 Ca 0.37 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.07 2k9x s THR 35 Cb 0.31 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 72.20 2k9x s THR 35 CO 0.07 0.23 0.22 -0.46 -0.69 0.00 0.00 174.62 173.99 2k9x n ASN 36 N 3.33 2.31 -0.29 3.53 6.94 -1.26 -0.13 115.26 129.69 2k9x n ASN 36 Ca -0.18 -2.29 0.11 0.00 -0.02 0.00 0.00 54.58 52.19 2k9x n ASN 36 Cb 0.54 0.02 0.34 0.00 -2.36 0.00 0.00 39.78 38.33 2k9x n ASN 36 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2k9x h LEU 37 N 0.00 0.72 -1.49 -4.53 6.46 -1.60 1.00 115.31 115.88 2k9x h LEU 37 Ca -0.24 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.62 2k9x h LEU 37 Cb 0.84 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 2k9x h LEU 37 CO 0.38 0.37 0.42 -1.13 -0.62 0.00 0.00 178.44 177.86 2k9x h ASN 38 N 0.77 0.55 0.43 1.25 -1.24 -1.86 -0.01 115.58 115.48 2k9x h ASN 38 Ca 0.46 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.30 2k9x h ASN 38 Cb 0.65 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 2k9x h ASN 38 CO -0.22 0.36 -0.71 1.23 -1.29 0.00 0.00 177.43 176.80 2k9x h GLY 39 N 0.63 0.26 0.77 1.57 0.00 -1.17 -2.59 103.07 102.53 2k9x h GLY 39 Ca 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2k9x h GLY 39 CO -0.08 0.33 -0.12 1.41 0.00 0.00 0.00 176.54 178.08 2k9x h LEU 40 N 0.16 -0.28 0.49 3.11 3.38 -0.45 -2.34 115.31 119.39 2k9x h LEU 40 Ca -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2k9x h LEU 40 Cb 1.27 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2k9x h LEU 40 CO 0.11 0.00 -0.36 -0.37 0.09 0.00 0.00 178.44 177.91 2k9x h VAL 41 N -0.57 0.27 -1.07 1.22 -1.51 -1.29 -1.99 116.25 111.32 2k9x h VAL 41 Ca -0.03 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.74 2k9x h VAL 41 Cb 0.42 0.27 -0.05 0.00 -2.13 0.00 0.00 31.29 29.79 2k9x h VAL 41 CO 0.06 0.00 0.76 -0.61 -1.23 0.00 0.00 177.57 176.55 2k9x h GLN 42 N -0.83 0.05 -0.03 5.19 4.15 -1.52 0.42 115.11 122.54 2k9x h GLN 42 Ca -0.05 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 2k9x h GLN 42 Cb 0.70 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2k9x h GLN 42 CO 0.02 0.03 -0.53 1.25 -1.93 0.00 0.00 178.83 177.67 2k9x h LEU 43 N 0.05 0.10 0.03 -2.39 5.85 -0.79 -2.73 115.31 115.44 2k9x h LEU 43 Ca 0.52 -0.05 -0.39 0.00 0.84 0.00 0.00 57.88 58.80 2k9x h LEU 43 Cb 1.98 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.93 2k9x h LEU 43 CO -0.04 0.62 -2.30 0.00 -0.34 0.00 0.00 178.44 176.37 2k9x n LEU 44 N -3.91 2.64 -0.01 2.25 -0.00 0.11 -4.15 117.00 113.93 2k9x n LEU 44 Ca -0.02 0.07 -0.00 0.00 -0.00 0.00 0.00 56.01 56.06 2k9x n LEU 44 Cb 0.55 -0.94 -0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2k9x n LEU 44 CO 0.42 0.81 -0.00 0.07 -0.00 0.00 0.00 177.39 178.68 2k9x h LYS 45 N -0.24 0.00 -0.95 1.47 2.10 -0.72 -2.43 116.57 115.80 2k9x h LYS 45 Ca -0.55 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.37 2k9x h LYS 45 Cb 1.84 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.13 2k9x h LYS 45 CO -0.12 0.00 0.70 1.15 -2.00 0.00 0.00 179.45 179.18 2k9x h THR 46 N -0.15 0.49 0.06 0.07 2.02 -1.66 0.48 112.91 114.22 2k9x h THR 46 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 2k9x h THR 46 Cb 0.01 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2k9x h THR 46 CO 0.00 0.00 -1.09 -1.13 0.37 0.00 0.00 175.52 173.67 2k9x h ASN 47 N 0.00 0.60 0.00 4.18 -0.73 -1.65 -3.45 115.58 114.53 2k9x h ASN 47 Ca 0.45 -0.53 0.00 0.00 1.87 0.00 0.00 56.30 58.09 2k9x h ASN 47 Cb 1.84 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 40.25 2k9x h ASN 47 CO -0.00 1.36 0.00 0.00 -0.37 0.00 0.00 177.43 178.41 2k9x n TYR 48 N -3.71 -0.18 -3.79 0.67 9.36 0.73 -5.05 117.16 115.18 2k9x n TYR 48 Ca -0.09 0.03 -0.29 0.00 3.32 0.00 0.00 57.90 60.88 2k9x n TYR 48 Cb 0.92 0.20 0.01 0.00 -0.63 0.00 0.00 39.34 39.84 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 -2.67 -2.68 0.04 2.97 3.14 0.13 -4.80 118.33 114.46 2k9x n VAL 49 Ca 0.00 -0.17 0.16 0.00 -2.96 0.00 0.00 64.34 61.37 2k9x n VAL 49 Cb 0.00 -2.36 0.64 0.00 -1.06 0.00 0.00 33.84 31.06 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 -0.75 0.09 0.00 1.45 5.09 -1.77 -3.42 116.57 117.26 2k9x h LYS 50 Ca -0.60 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.14 2k9x h LYS 50 Cb 1.25 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.56 2k9x h LYS 50 CO 0.37 0.06 0.00 -1.91 -2.09 0.00 0.00 179.45 175.88 2k9x n GLU 51 N -4.44 1.50 -2.15 0.07 4.07 -1.26 -5.03 120.64 113.40 2k9x n GLU 51 Ca 0.07 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.76 2k9x n GLU 51 Cb 0.44 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.79 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 -0.13 4.35 0.24 5.31 3.00 -1.26 -4.93 118.95 125.52 2k9x s ARG 52 Ca 0.00 2.14 0.12 0.00 0.00 0.00 0.00 55.73 57.99 2k9x s ARG 52 Cb 0.00 -3.16 0.17 0.00 0.00 0.00 0.00 34.95 31.96 2k9x s ARG 52 CO 0.00 -0.30 1.49 -1.00 0.00 0.00 0.00 175.30 175.50 2k9x h PRO 53 N 5.11 0.00 -0.45 3.54 0.13 -1.96 -3.18 132.00 135.19 2k9x h PRO 53 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.76 0.69 0.00 -0.25 -0.23 0.00 0.00 178.00 178.97 2k9x n ASP 54 N -3.50 2.53 0.06 1.44 8.00 -1.26 -3.90 116.55 119.93 2k9x n ASP 54 Ca -0.00 -1.98 -0.04 0.00 0.71 0.00 0.00 54.79 53.48 2k9x n ASP 54 Cb 0.73 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 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 2.83 0.00 0.00 0.64 8.10 -1.95 -3.39 115.31 121.54 2k9x h LEU 55 Ca 0.00 0.00 -0.46 0.00 0.11 0.00 0.00 57.88 57.53 2k9x h LEU 55 Cb 0.64 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.79 2k9x h LEU 55 CO 0.00 0.82 -2.55 0.00 -4.11 0.00 0.00 178.44 172.60 2k9x n LEU 56 N -3.21 2.04 -4.75 0.17 -0.00 -1.26 -4.86 117.00 105.12 2k9x n LEU 56 Ca -0.03 0.30 -0.38 0.00 -0.00 0.00 0.00 56.01 55.90 2k9x n LEU 56 Cb 0.89 -0.82 0.03 0.00 -0.00 0.00 0.00 43.42 43.52 2k9x n LEU 56 CO 0.44 0.61 0.95 0.68 -0.00 0.00 0.00 177.39 180.07 2k9x s VAL 57 N -2.51 2.28 0.00 1.47 -7.23 -1.25 0.11 120.40 113.27 2k9x s VAL 57 Ca -0.39 0.20 -0.25 0.00 -1.81 0.00 0.00 61.98 59.74 2k9x s VAL 57 Cb 0.14 -3.10 -0.15 0.00 0.56 0.00 0.00 36.38 33.84 2k9x s VAL 57 CO 0.50 -0.01 1.09 -0.78 -0.31 0.00 0.00 175.10 175.60 2k9x h ASP 58 N 1.47 -0.57 0.00 4.85 3.58 0.21 -3.36 116.42 122.60 2k9x h ASP 58 Ca -0.51 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2k9x h ASP 58 Cb 1.29 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2k9x h ASP 58 CO 0.57 -0.18 0.00 1.67 -2.88 0.00 0.00 179.24 178.42 2k9x n GLN 59 N -5.25 0.00 0.00 0.28 7.27 -1.26 -4.85 117.38 113.57 2k9x n GLN 59 Ca -0.10 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.10 2k9x n GLN 59 Cb 0.31 0.00 0.79 0.00 2.41 0.00 0.00 30.24 33.75 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 -1.63 0.00 -1.74 1.69 -2.24 -1.26 -4.87 114.28 104.23 2k9x n THR 60 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2k9x n THR 60 Cb 0.00 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 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 1.13 0.00 3.38 0.00 -1.26 -4.81 105.19 104.38 2k9x n GLY 61 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.55 0.66 -5.17 1.61 7.27 -1.26 -5.01 117.38 112.94 2k9x n GLN 62 Ca -0.18 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.57 2k9x n GLN 62 Cb 0.60 -0.99 -0.16 0.00 2.41 0.00 0.00 30.24 32.09 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k9x s THR 63 N -1.99 2.23 0.66 1.69 -1.32 -1.26 -4.81 115.64 110.85 2k9x s THR 63 Ca 0.00 -0.98 -0.16 0.00 -1.21 0.00 0.00 61.69 59.34 2k9x s THR 63 Cb 0.00 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 2k9x s THR 63 CO 0.00 0.56 1.15 -0.76 -2.21 0.00 0.00 174.62 173.36 2k9x s LEU 64 N 0.11 3.43 0.73 9.08 1.43 -1.26 0.80 118.68 133.00 2k9x s LEU 64 Ca -0.11 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 2k9x s LEU 64 Cb -0.16 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.52 2k9x s LEU 64 CO 0.06 -1.78 1.07 0.00 0.23 0.00 0.00 176.35 175.94 2k9x s ARG 65 N -3.89 2.62 0.08 1.70 1.70 0.31 -4.26 118.95 117.21 2k9x s ARG 65 Ca 0.71 0.89 -0.31 0.00 -0.47 0.00 0.00 55.73 56.55 2k9x s ARG 65 Cb -0.24 -1.96 -0.09 0.00 -0.57 0.00 0.00 34.95 32.08 2k9x s ARG 65 CO 0.40 -1.31 1.85 -2.14 -1.08 0.00 0.00 175.30 173.03 2k9x s PRO 66 N -5.06 4.15 0.00 3.89 0.02 -1.26 -3.95 135.00 132.78 2k9x s PRO 66 Ca 0.59 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.17 2k9x s PRO 66 Cb -0.14 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.57 2k9x s PRO 66 CO 0.55 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2k9x n GLY 67 N 4.31 2.39 3.80 0.52 0.00 -1.26 -4.88 105.19 110.07 2k9x n GLY 67 Ca 0.18 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 5.30 -0.38 -0.61 1.01 -1.25 -0.82 121.20 124.45 2k9x s ILE 68 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 2k9x s ILE 68 Cb 0.00 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.93 2k9x s ILE 68 CO 0.00 0.50 0.20 -0.22 0.00 0.00 0.00 174.94 175.42 2k9x s LEU 69 N -0.35 4.74 0.00 2.97 2.96 0.92 -4.90 118.68 125.03 2k9x s LEU 69 Ca 0.17 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 52.63 2k9x s LEU 69 Cb -0.14 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2k9x s LEU 69 CO 0.06 -0.41 1.08 0.68 -1.32 0.00 0.00 176.35 176.43 2k9x s VAL 70 N 1.49 4.53 -0.09 1.68 -7.23 -1.26 -3.30 120.40 116.22 2k9x s VAL 70 Ca 0.01 1.82 0.02 0.00 -1.81 0.00 0.00 61.98 62.02 2k9x s VAL 70 Cb -0.20 -4.16 0.01 0.00 0.56 0.00 0.00 36.38 32.59 2k9x s VAL 70 CO 0.05 0.11 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.04 2k9x s LEU 71 N 1.25 1.73 -0.17 1.32 1.43 -1.09 -2.51 118.68 120.63 2k9x s LEU 71 Ca 0.54 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2k9x s LEU 71 Cb -0.24 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 44.97 2k9x s LEU 71 CO 0.27 0.04 -0.16 0.68 0.23 0.00 0.00 176.35 177.41 2k9x s VAL 72 N 0.75 2.50 -1.36 -1.59 -7.23 0.25 -1.63 120.40 112.10 2k9x s VAL 72 Ca -0.12 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2k9x s VAL 72 Cb -0.16 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.74 2k9x s VAL 72 CO 0.02 0.51 0.87 0.59 -0.31 0.00 0.00 175.10 176.78 2k9x n ASN 73 N 4.40 -2.80 -2.19 4.85 4.13 -1.19 -1.13 115.26 121.32 2k9x n ASN 73 Ca -0.20 -0.75 -0.19 0.00 1.68 0.00 0.00 54.58 55.12 2k9x n ASN 73 Cb 0.51 -4.26 -0.01 0.00 -1.54 0.00 0.00 39.78 34.48 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2k9x n SER 74 N -3.00 -5.49 -3.69 6.41 7.64 -1.26 -4.98 113.62 109.25 2k9x n SER 74 Ca -0.18 -0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 2k9x n SER 74 Cb 0.62 -4.53 -0.10 0.00 -1.01 0.00 0.00 64.21 59.20 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 4.24 1.25 0.24 0.00 9.92 -1.26 0.85 116.55 131.79 2k9x n ASP 76 Ca -0.23 1.13 0.13 0.00 -0.53 0.00 0.00 54.79 55.30 2k9x n ASP 76 Cb 0.56 -1.13 0.43 0.00 -0.64 0.00 0.00 41.12 40.34 2k9x n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9x h ALA 77 N 4.12 0.98 0.00 2.24 0.00 -1.80 -3.08 119.26 121.72 2k9x h ALA 77 Ca -0.48 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2k9x h ALA 77 Cb 1.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2k9x h ALA 77 CO 0.74 0.10 -0.55 0.93 0.00 0.00 0.00 179.25 180.47 2k9x h GLU 78 N 0.00 0.00 -0.26 0.00 5.08 -1.85 0.56 114.58 118.11 2k9x h GLU 78 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2k9x h GLU 78 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2k9x h GLU 78 CO 0.01 0.55 -0.10 0.28 -1.00 0.00 0.00 179.01 178.75 2k9x h VAL 79 N 0.00 1.21 0.00 3.13 2.07 -1.92 -3.28 116.25 117.46 2k9x h VAL 79 Ca -0.01 -0.91 -0.37 0.00 0.82 0.00 0.00 66.70 66.24 2k9x h VAL 79 Cb 1.09 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 2k9x h VAL 79 CO 0.07 0.30 -2.39 1.33 0.02 0.00 0.00 177.57 176.90 2k9x n VAL 80 N -4.24 1.40 0.00 2.57 0.24 -1.16 -5.00 118.33 112.14 2k9x n VAL 80 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2k9x n VAL 80 Cb 0.29 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 2k9x n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k9x n GLY 81 N 2.19 -0.16 0.00 7.63 0.00 0.15 -5.05 105.19 109.95 2k9x n GLY 81 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.27 0.65 2.46 -0.02 0.00 0.13 -4.73 105.19 104.94 2k9x n GLY 82 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 2k9x n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k9x n MET 83 N 0.00 -1.55 -0.90 1.61 2.81 -1.26 -4.77 117.12 113.06 2k9x n MET 83 Ca 0.00 1.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.96 2k9x n MET 83 Cb 0.00 -5.53 -0.01 0.00 -0.71 0.00 0.00 33.22 26.97 2k9x n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2k9x n ASP 84 N -1.47 0.14 -4.63 7.83 2.03 -1.26 -3.13 116.55 116.06 2k9x n ASP 84 Ca -0.21 -1.82 -0.43 0.00 0.52 0.00 0.00 54.79 52.86 2k9x n ASP 84 Cb 0.65 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.92 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 2.60 0.35 -0.67 5.04 -1.26 -4.52 117.35 118.88 2k9x s TYR 85 Ca 0.11 0.82 -0.28 0.00 -2.44 0.00 0.00 57.07 55.27 2k9x s TYR 85 Cb 0.12 -3.93 -0.10 0.00 0.35 0.00 0.00 41.96 38.40 2k9x s TYR 85 CO -0.05 -1.89 1.35 0.14 -1.34 0.00 0.00 175.55 173.76 2k9x s VAL 86 N 4.51 2.53 0.81 3.14 -7.23 -1.26 -2.05 120.40 120.85 2k9x s VAL 86 Ca 0.58 0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 61.17 2k9x s VAL 86 Cb -0.18 -3.34 0.08 0.00 0.56 0.00 0.00 36.38 33.51 2k9x s VAL 86 CO 0.24 0.12 1.15 -0.76 -0.31 0.00 0.00 175.10 175.54 2k9x s LEU 87 N -1.94 2.48 -0.28 1.32 1.02 0.82 -4.96 118.68 117.14 2k9x s LEU 87 Ca 0.51 0.92 0.09 0.00 0.02 0.00 0.00 54.13 55.67 2k9x s LEU 87 Cb -0.41 -3.45 0.30 0.00 0.02 0.00 0.00 46.19 42.65 2k9x s LEU 87 CO 0.55 -1.94 1.27 -3.20 0.02 0.00 0.00 176.35 173.05 2k9x n ASN 88 N -3.36 -1.23 -2.88 2.29 2.85 -1.26 -4.05 115.26 107.62 2k9x n ASN 88 Ca 0.07 -1.98 -0.03 0.00 -0.11 0.00 0.00 54.58 52.54 2k9x n ASN 88 Cb 0.60 0.64 0.00 0.00 1.24 0.00 0.00 39.78 42.26 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 -1.00 -7.59 0.00 1.20 8.00 -1.26 -4.75 116.55 111.15 2k9x n ASP 89 Ca -0.13 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.41 2k9x n ASP 89 Cb 0.78 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 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 0.70 1.97 3.82 0.44 0.00 -1.26 -4.60 105.19 106.26 2k9x n GLY 90 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 6.72 -0.10 1.61 -1.08 -1.26 -4.78 116.67 115.79 2k9x s ASP 91 Ca 0.00 1.74 0.04 0.00 -0.52 0.00 0.00 52.55 53.81 2k9x s ASP 91 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2k9x s ASP 91 CO 0.00 -0.51 -0.23 -0.89 0.52 0.00 0.00 175.17 174.06 2k9x s THR 92 N -2.19 1.96 -0.05 1.71 2.01 -1.26 -1.24 115.64 116.58 2k9x s THR 92 Ca 0.63 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2k9x s THR 92 Cb -0.11 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.72 2k9x s THR 92 CO 0.17 0.54 0.12 0.54 -0.69 0.00 0.00 174.62 175.30 2k9x s VAL 93 N 0.38 -0.02 0.06 3.82 0.11 -0.13 -3.20 120.40 121.42 2k9x s VAL 93 Ca -0.18 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 2k9x s VAL 93 Cb -0.18 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2k9x s VAL 93 CO 0.08 0.03 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.17 2k9x s GLU 94 N 0.43 0.68 -0.29 1.54 2.02 -0.64 -3.23 118.70 119.20 2k9x s GLU 94 Ca -0.03 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2k9x s GLU 94 Cb -0.04 -0.47 0.08 0.00 0.10 0.00 0.00 34.13 33.80 2k9x s GLU 94 CO -0.02 0.09 -0.00 -0.06 0.02 0.00 0.00 175.26 175.29 2k9x s PHE 95 N -1.68 2.92 -0.23 1.61 0.40 -1.19 -2.68 117.98 117.13 2k9x s PHE 95 Ca -0.04 -2.30 -0.02 0.00 -0.60 0.00 0.00 56.93 53.97 2k9x s PHE 95 Cb -0.08 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.32 2k9x s PHE 95 CO 0.00 -0.87 -0.08 0.42 0.70 0.00 0.00 175.22 175.40 2k9x s ILE 96 N 1.20 2.87 -1.19 0.64 1.01 -1.21 -1.88 121.20 122.64 2k9x s ILE 96 Ca 0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 2k9x s ILE 96 Cb -0.19 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.90 2k9x s ILE 96 CO -0.10 0.30 1.77 -0.44 0.00 0.00 0.00 174.94 176.47 2k9x s SER 97 N 1.35 6.12 -0.01 3.58 0.01 -1.26 -0.05 113.70 123.44 2k9x s SER 97 Ca 0.02 -1.93 -0.01 0.00 1.31 0.00 0.00 55.95 55.34 2k9x s SER 97 Cb -0.16 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 2k9x s SER 97 CO -0.05 -1.91 0.26 0.71 0.41 0.00 0.00 173.24 172.66 2k9x h THR 98 N 6.07 0.00 -3.53 1.44 1.35 -1.33 -3.45 112.91 113.45 2k9x h THR 98 Ca 0.32 -0.10 -0.52 0.00 -0.55 0.00 0.00 66.41 65.56 2k9x h THR 98 Cb 0.92 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2k9x h THR 98 CO 1.37 0.00 0.43 -0.22 -0.25 0.00 0.00 175.52 176.85 2k9x s LEU 99 N -4.62 4.48 -0.15 3.87 2.96 -0.57 -4.96 118.68 119.69 2k9x s LEU 99 Ca -0.01 1.95 -0.06 0.00 -0.22 0.00 0.00 54.13 55.79 2k9x s LEU 99 Cb 0.00 -3.59 -0.24 0.00 0.50 0.00 0.00 46.19 42.86 2k9x s LEU 99 CO 0.02 -0.17 0.23 1.41 -1.32 0.00 0.00 176.35 176.52 2k9x n HIS 100 N 2.70 0.99 0.00 5.38 8.25 -1.26 -4.26 115.22 127.02 2k9x n HIS 100 Ca 0.03 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2k9x n HIS 100 Cb 0.48 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.46 2k9x n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k9x n GLY 101 N 1.98 1.21 0.00 -1.41 0.00 -1.26 -4.98 105.19 100.73 2k9x n GLY 101 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93