#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 6.05 -0.44 7.83 0.15 -1.26 -5.07 113.70 120.96 2k9x s SER 2 Ca 0.00 0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.45 2k9x s SER 2 Cb 0.00 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 2k9x s SER 2 CO 0.00 -0.39 0.65 0.20 1.20 0.00 0.00 173.24 174.90 2k9x s ASN 3 N -4.13 6.32 0.05 5.45 -0.87 -1.26 -5.04 114.94 115.46 2k9x s ASN 3 Ca 0.43 -0.34 0.05 0.00 -1.57 0.00 0.00 52.86 51.43 2k9x s ASN 3 Cb -0.09 -2.32 -0.02 0.00 -0.02 0.00 0.00 41.25 38.79 2k9x s ASN 3 CO 0.32 -0.79 -0.15 -1.38 -2.57 0.00 0.00 177.10 172.54 2k9x s HIS 4 N 2.83 1.32 0.30 2.20 -3.43 -1.26 -4.91 115.29 112.34 2k9x s HIS 4 Ca 0.23 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.11 2k9x s HIS 4 Cb -0.14 -0.78 0.00 0.00 -1.43 0.00 0.00 32.58 30.23 2k9x s HIS 4 CO 0.19 0.05 0.00 0.09 -2.00 0.00 0.00 174.74 173.07 2k9x n ASN 5 N 1.76 -5.12 -1.19 7.38 3.02 -1.26 -4.94 115.26 114.92 2k9x n ASN 5 Ca -0.18 0.76 0.16 0.00 -0.03 0.00 0.00 54.58 55.28 2k9x n ASN 5 Cb 0.54 -2.26 -0.05 0.00 -0.61 0.00 0.00 39.78 37.41 2k9x n ASN 5 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k9x n HIS 6 N -1.17 -3.02 -4.78 3.10 8.25 -1.26 -4.45 115.22 111.89 2k9x n HIS 6 Ca 0.00 1.53 -0.33 0.00 -0.26 0.00 0.00 57.72 58.66 2k9x n HIS 6 Cb 0.05 -2.74 -0.13 0.00 1.12 0.00 0.00 29.99 28.29 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 -2.36 3.19 -0.75 1.59 1.09 -1.06 -0.23 121.20 122.68 2k9x s ILE 7 Ca 0.00 -0.64 -0.21 0.00 -1.10 0.00 0.00 60.65 58.70 2k9x s ILE 7 Cb 0.00 -2.31 0.09 0.00 -1.06 0.00 0.00 42.46 39.18 2k9x s ILE 7 CO 0.00 0.56 1.01 -0.89 -0.10 0.00 0.00 174.94 175.52 2k9x s THR 8 N -0.21 4.47 -0.25 2.92 2.01 0.16 -3.20 115.64 121.55 2k9x s THR 8 Ca 0.01 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.22 2k9x s THR 8 Cb -0.13 -4.71 0.04 0.00 0.01 0.00 0.00 72.50 67.71 2k9x s THR 8 CO 0.03 -1.47 -0.10 0.54 -0.69 0.00 0.00 174.62 172.94 2k9x s VAL 9 N 3.57 2.48 0.18 3.82 0.11 -0.73 -0.12 120.40 129.72 2k9x s VAL 9 Ca 0.25 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 2k9x s VAL 9 Cb -0.13 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 2k9x s VAL 9 CO 0.03 0.14 0.06 0.00 -3.33 0.00 0.00 175.10 172.00 2k9x s GLN 10 N 1.23 1.14 0.09 1.54 0.00 -1.18 0.10 119.66 122.59 2k9x s GLN 10 Ca -0.03 -1.57 0.07 0.00 -0.00 0.00 0.00 55.36 53.83 2k9x s GLN 10 Cb -0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 33.01 32.77 2k9x s GLN 10 CO -0.06 -0.25 -0.19 -0.06 0.00 0.00 0.00 175.29 174.73 2k9x s PHE 11 N -3.87 1.63 0.07 9.60 0.08 -0.33 -3.06 117.98 122.09 2k9x s PHE 11 Ca 0.30 -0.43 -0.09 0.00 0.12 0.00 0.00 56.93 56.83 2k9x s PHE 11 Cb 0.07 -0.89 -0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2k9x s PHE 11 CO 0.07 0.17 0.18 0.00 -0.10 0.00 0.00 175.22 175.54 2k9x s ALA 12 N -1.22 -0.24 0.00 5.36 0.00 -0.97 -4.70 121.76 119.99 2k9x s ALA 12 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2k9x s ALA 12 Cb -0.10 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2k9x s ALA 12 CO 0.04 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2k9x n GLY 13 N 0.21 1.04 1.23 0.00 0.00 -1.26 -2.36 105.19 104.04 2k9x n GLY 13 Ca -0.16 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 4.68 0.00 -0.02 0.00 -1.26 -4.69 105.19 103.90 2k9x n GLY 14 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.50 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 0.18 0.00 0.00 9.09 -1.84 -3.31 114.58 118.71 2k9x h GLU 16 Ca 0.00 -0.31 -0.01 0.00 0.05 0.00 0.00 59.36 59.10 2k9x h GLU 16 Cb 0.42 0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 2k9x h GLU 16 CO 0.00 1.09 -0.04 -0.07 0.05 0.00 0.00 179.01 180.04 2k9x h LEU 17 N 0.05 0.00 -0.57 3.06 4.07 -1.89 0.42 115.31 120.45 2k9x h LEU 17 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2k9x h LEU 17 Cb 1.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.68 2k9x h LEU 17 CO 0.17 0.04 0.00 0.00 -1.08 0.00 0.00 178.44 177.57 2k9x n LEU 18 N -4.23 0.77 0.12 1.67 -0.00 -1.24 -4.26 117.00 109.82 2k9x n LEU 18 Ca -0.03 -0.39 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 2k9x n LEU 18 Cb 0.12 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2k9x n LEU 18 CO 0.32 0.17 0.00 0.33 -0.00 0.00 0.00 177.39 178.21 2k9x n PHE 19 N -0.14 -1.74 0.00 1.47 -0.00 -0.64 -3.91 117.46 112.51 2k9x n PHE 19 Ca 0.04 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 2k9x n PHE 19 Cb 0.14 0.39 0.00 0.00 -0.00 0.00 0.00 39.48 40.02 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 -3.50 0.00 -2.81 3.13 0.00 -0.50 -4.71 120.51 112.12 2k9x n ALA 20 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2k9x n ALA 20 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -2.76 -1.91 0.00 4.01 0.14 -4.93 118.16 112.71 2k9x n LYS 21 Ca 0.00 0.48 -0.29 0.00 -0.51 0.00 0.00 58.31 57.99 2k9x n LYS 21 Cb 0.00 -5.11 0.08 0.00 -0.51 0.00 0.00 35.03 29.48 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 -5.41 2.20 0.00 1.97 -1.52 -1.26 -4.95 119.66 110.70 2k9x s GLN 22 Ca 0.16 0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 2k9x s GLN 22 Cb -0.08 -1.98 0.00 0.00 -0.22 0.00 0.00 33.01 30.73 2k9x s GLN 22 CO 0.19 -1.44 0.00 0.25 -0.25 0.00 0.00 175.29 174.04 2k9x n THR 23 N -3.23 0.00 -4.09 -0.19 -2.24 -1.26 -4.52 114.28 98.76 2k9x n THR 23 Ca 0.08 0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 62.01 2k9x n THR 23 Cb 0.60 -1.24 -0.11 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 -2.70 0.81 0.13 3.42 1.04 -1.26 -1.18 113.70 113.95 2k9x s SER 24 Ca 0.00 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 2k9x s SER 24 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2k9x s SER 24 CO 0.00 -0.37 0.07 -0.76 0.98 0.00 0.00 173.24 173.16 2k9x s LEU 25 N -2.27 1.72 -0.11 2.42 1.02 0.29 -4.95 118.68 116.80 2k9x s LEU 25 Ca -0.01 -1.19 -0.01 0.00 0.02 0.00 0.00 54.13 52.94 2k9x s LEU 25 Cb -0.02 0.35 0.03 0.00 0.02 0.00 0.00 46.19 46.57 2k9x s LEU 25 CO -0.03 -0.74 -0.05 -1.10 0.02 0.00 0.00 176.35 174.45 2k9x s GLN 26 N -4.05 1.24 -0.09 1.70 1.11 -1.25 -1.77 119.66 116.55 2k9x s GLN 26 Ca 0.24 -0.18 -0.07 0.00 0.01 0.00 0.00 55.36 55.36 2k9x s GLN 26 Cb 0.07 -1.47 -0.04 0.00 -1.01 0.00 0.00 33.01 30.56 2k9x s GLN 26 CO 0.02 -0.30 0.17 -0.51 0.01 0.00 0.00 175.29 174.68 2k9x s LEU 27 N 1.78 4.39 0.38 2.90 1.43 -1.19 -4.84 118.68 123.52 2k9x s LEU 27 Ca 0.04 0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 53.40 2k9x s LEU 27 Cb -0.13 -2.22 -0.10 0.00 0.03 0.00 0.00 46.19 43.77 2k9x s LEU 27 CO -0.07 0.37 0.95 -0.62 0.23 0.00 0.00 176.35 177.21 2k9x s ASP 28 N -1.20 7.12 0.01 2.29 2.15 -1.26 -2.55 116.67 123.23 2k9x s ASP 28 Ca 0.18 1.76 -0.30 0.00 0.43 0.00 0.00 52.55 54.62 2k9x s ASP 28 Cb -0.12 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.87 2k9x s ASP 28 CO 0.07 -0.23 1.53 -0.83 -0.17 0.00 0.00 175.17 175.55 2k9x s GLY 29 N -1.92 1.68 -0.36 2.66 0.00 -1.26 -4.98 107.32 103.14 2k9x s GLY 29 Ca 0.57 0.99 0.01 0.00 0.00 0.00 0.00 44.72 46.28 2k9x s GLY 29 CO 0.18 2.75 0.23 0.14 0.00 0.00 0.00 173.10 176.40 2k9x s VAL 30 N 2.86 0.14 -1.15 1.40 1.01 -1.26 -4.94 120.40 118.47 2k9x s VAL 30 Ca 0.69 -1.81 -0.10 0.00 0.00 0.00 0.00 61.98 60.76 2k9x s VAL 30 Cb -0.34 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2k9x s VAL 30 CO 0.29 -1.01 0.82 0.52 0.00 0.00 0.00 175.10 175.71 2k9x n VAL 31 N 3.89 -6.64 0.60 2.92 0.31 -1.26 -4.89 118.33 113.27 2k9x n VAL 31 Ca 0.14 -0.97 0.10 0.00 -0.01 0.00 0.00 64.34 63.60 2k9x n VAL 31 Cb 0.39 -4.96 0.41 0.00 -0.91 0.00 0.00 33.84 28.77 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 -3.89 0.05 0.25 5.55 -0.04 -1.26 -3.75 135.00 131.91 2k9x n PRO 32 Ca -0.14 0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2k9x n PRO 32 Cb 0.62 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.00 0.24 -1.12 0.52 2.02 -1.90 -2.86 112.91 109.80 2k9x h THR 33 Ca 0.00 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.60 2k9x h THR 33 Cb 0.35 0.24 -0.23 0.00 -1.74 0.00 0.00 68.15 66.77 2k9x h THR 33 CO 0.00 0.00 0.72 0.61 0.37 0.00 0.00 175.52 177.22 2k9x n GLY 34 N -1.48 5.07 2.73 2.16 0.00 -1.25 -4.87 105.19 107.56 2k9x n GLY 34 Ca -0.10 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.77 0.10 0.15 2.61 2.01 -1.08 -5.08 115.64 110.58 2k9x s THR 35 Ca 0.53 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.82 2k9x s THR 35 Cb 0.41 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.63 2k9x s THR 35 CO -0.15 0.20 0.16 -0.46 -0.69 0.00 0.00 174.62 173.68 2k9x n ASN 36 N 5.08 1.04 -0.19 3.53 6.94 -1.26 -0.95 115.26 129.45 2k9x n ASN 36 Ca -0.08 -1.46 0.11 0.00 -0.02 0.00 0.00 54.58 53.13 2k9x n ASN 36 Cb 0.50 -0.06 0.42 0.00 -2.36 0.00 0.00 39.78 38.28 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 0.55 -0.96 -4.53 6.46 -0.26 -0.43 115.31 116.13 2k9x h LEU 37 Ca -0.08 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.81 2k9x h LEU 37 Cb 0.33 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 2k9x h LEU 37 CO 0.13 0.31 0.60 -1.13 -0.62 0.00 0.00 178.44 177.72 2k9x h ASN 38 N 0.60 0.88 0.65 1.25 -0.73 -1.86 0.65 115.58 117.02 2k9x h ASN 38 Ca 0.36 0.05 -0.14 0.00 1.87 0.00 0.00 56.30 58.44 2k9x h ASN 38 Cb 0.59 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 2k9x h ASN 38 CO -0.13 0.48 -0.66 1.23 -0.37 0.00 0.00 177.43 177.97 2k9x h GLY 39 N 0.96 0.00 0.84 1.57 0.00 -1.46 -2.11 103.07 102.87 2k9x h GLY 39 Ca 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 2k9x h GLY 39 CO -0.26 0.00 0.01 -2.00 0.00 0.00 0.00 176.54 174.29 2k9x h LEU 40 N 0.00 0.03 0.14 3.11 6.46 -0.43 -1.23 115.31 123.39 2k9x h LEU 40 Ca -0.01 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2k9x h LEU 40 Cb 1.16 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2k9x h LEU 40 CO 0.09 0.19 -0.07 -0.37 -0.62 0.00 0.00 178.44 177.66 2k9x h VAL 41 N -0.13 1.01 -0.19 1.05 -1.51 -1.27 -2.58 116.25 112.63 2k9x h VAL 41 Ca 0.01 -0.76 0.05 0.00 -1.23 0.00 0.00 66.70 64.78 2k9x h VAL 41 Cb 0.17 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 2k9x h VAL 41 CO -0.00 0.18 0.31 1.56 -1.23 0.00 0.00 177.57 178.38 2k9x h GLN 42 N -0.56 0.00 0.00 5.19 4.20 -1.40 0.49 115.11 123.03 2k9x h GLN 42 Ca -0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2k9x h GLN 42 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2k9x h GLN 42 CO 0.03 0.00 -0.79 1.25 -0.67 0.00 0.00 178.83 178.66 2k9x h LEU 43 N 0.00 0.00 0.00 1.46 6.46 -1.01 0.85 115.31 123.07 2k9x h LEU 43 Ca 0.09 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.56 2k9x h LEU 43 Cb 0.70 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 2k9x h LEU 43 CO -0.00 0.29 -1.58 -0.11 -0.62 0.00 0.00 178.44 176.43 2k9x n LEU 44 N -2.97 1.88 0.00 2.25 -0.00 0.11 -3.62 117.00 114.65 2k9x n LEU 44 Ca -0.01 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k9x n LEU 44 Cb 0.68 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 2k9x n LEU 44 CO 0.40 0.34 0.00 2.29 -0.00 0.00 0.00 177.39 180.42 2k9x n LYS 45 N -4.39 0.00 0.06 1.96 2.85 0.13 -1.27 118.16 117.50 2k9x n LYS 45 Ca -0.37 0.19 0.21 0.00 -1.05 0.00 0.00 58.31 57.28 2k9x n LYS 45 Cb 0.73 -0.63 0.66 0.00 -0.65 0.00 0.00 35.03 35.14 2k9x n LYS 45 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2k9x h THR 46 N 0.00 0.22 0.00 0.58 2.02 -1.65 0.68 112.91 114.76 2k9x h THR 46 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 2k9x h THR 46 Cb 0.00 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2k9x h THR 46 CO 0.00 0.00 -1.86 -3.20 0.37 0.00 0.00 175.52 170.83 2k9x n ASN 47 N -3.44 1.53 -2.71 4.18 5.15 0.28 -4.74 115.26 115.51 2k9x n ASN 47 Ca 0.10 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.01 2k9x n ASN 47 Cb 0.82 1.19 0.04 0.00 -0.53 0.00 0.00 39.78 41.29 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k9x n TYR 48 N -2.32 1.34 -4.04 1.20 4.01 -0.34 -4.95 117.16 112.06 2k9x n TYR 48 Ca -0.15 -2.51 -0.28 0.00 -0.16 0.00 0.00 57.90 54.79 2k9x n TYR 48 Cb 0.73 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 2k9x n TYR 48 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k9x s VAL 49 N -3.55 4.69 0.00 -0.72 0.11 0.22 -4.57 120.40 116.58 2k9x s VAL 49 Ca 0.29 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2k9x s VAL 49 Cb 0.40 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 2k9x s VAL 49 CO -0.00 0.01 0.00 2.29 -3.33 0.00 0.00 175.10 174.07 2k9x n LYS 50 N 0.03 0.00 0.00 1.54 2.85 -1.26 -5.02 118.16 116.30 2k9x n LYS 50 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2k9x n LYS 50 Cb 0.53 -0.68 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 2k9x n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k9x n GLU 51 N -1.94 0.29 -1.78 -1.58 4.07 -1.25 -4.92 120.64 113.52 2k9x n GLU 51 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 2k9x n GLU 51 Cb 0.20 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.55 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 -2.11 3.35 0.58 5.31 0.52 -1.26 -4.85 118.95 120.49 2k9x s ARG 52 Ca 0.00 1.86 0.29 0.00 -0.52 0.00 0.00 55.73 57.36 2k9x s ARG 52 Cb 0.00 -4.27 1.79 0.00 0.52 0.00 0.00 34.95 32.99 2k9x s ARG 52 CO 0.00 -1.85 2.24 -1.00 0.02 0.00 0.00 175.30 174.71 2k9x h PRO 53 N 13.57 0.00 -0.40 3.54 0.13 -1.97 -0.66 132.00 146.21 2k9x h PRO 53 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k9x h PRO 53 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k9x h PRO 53 CO 0.98 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.52 2k9x n ASP 54 N -3.83 2.38 0.04 1.44 9.92 -1.26 -3.83 116.55 121.42 2k9x n ASP 54 Ca -0.03 -1.94 -0.03 0.00 -0.53 0.00 0.00 54.79 52.26 2k9x n ASP 54 Cb 0.10 -0.26 -0.08 0.00 -0.64 0.00 0.00 41.12 40.23 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2k9x h LEU 55 N 2.73 0.00 0.01 0.64 8.10 -1.50 -3.39 115.31 121.90 2k9x h LEU 55 Ca 0.00 0.00 -0.41 0.00 0.11 0.00 0.00 57.88 57.58 2k9x h LEU 55 Cb 0.62 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.78 2k9x h LEU 55 CO 0.00 0.74 -2.32 0.00 -4.11 0.00 0.00 178.44 172.75 2k9x n LEU 56 N -3.06 2.20 -4.68 0.17 -0.00 -1.26 -4.83 117.00 105.55 2k9x n LEU 56 Ca -0.08 0.24 -0.38 0.00 -0.00 0.00 0.00 56.01 55.80 2k9x n LEU 56 Cb 0.89 -0.88 0.06 0.00 -0.00 0.00 0.00 43.42 43.49 2k9x n LEU 56 CO 0.44 0.63 0.75 1.33 -0.00 0.00 0.00 177.39 180.54 2k9x n VAL 57 N -4.02 4.24 0.25 1.47 0.24 -1.25 0.85 118.33 120.11 2k9x n VAL 57 Ca -0.48 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.17 2k9x n VAL 57 Cb 0.89 -1.36 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.64 -0.54 0.00 -1.34 1.82 -0.57 -3.31 116.42 113.12 2k9x h ASP 58 Ca -0.50 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 2k9x h ASP 58 Cb 1.35 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.50 2k9x h ASP 58 CO 0.53 -0.20 0.00 1.67 -1.61 0.00 0.00 179.24 179.62 2k9x n GLN 59 N -5.26 0.00 -0.19 0.28 7.27 -1.26 -4.75 117.38 113.47 2k9x n GLN 59 Ca -0.11 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.00 2k9x n GLN 59 Cb 0.31 0.00 0.13 0.00 2.41 0.00 0.00 30.24 33.09 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 -1.34 0.54 -1.75 1.69 -2.24 -1.26 -4.88 114.28 105.04 2k9x n THR 60 Ca 0.00 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 2k9x n THR 60 Cb 0.00 0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 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 1.28 0.13 3.38 0.00 -1.26 -4.80 105.19 104.70 2k9x n GLY 61 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.43 0.36 -3.65 1.61 7.27 -1.26 -5.00 117.38 114.28 2k9x n GLN 62 Ca -0.20 0.09 -0.20 0.00 0.07 0.00 0.00 57.00 56.76 2k9x n GLN 62 Cb 0.64 -1.26 -0.04 0.00 2.41 0.00 0.00 30.24 31.99 2k9x n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k9x n THR 63 N -3.01 0.00 -4.23 1.69 -2.24 -1.26 -4.86 114.28 100.37 2k9x n THR 63 Ca -0.26 -1.48 -0.25 0.00 -2.27 0.00 0.00 64.05 59.79 2k9x n THR 63 Cb 0.77 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 2k9x n THR 63 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k9x s LEU 64 N 0.00 3.32 0.69 3.22 1.43 -1.26 0.00 118.68 126.09 2k9x s LEU 64 Ca 0.00 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 2k9x s LEU 64 Cb -0.00 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2k9x s LEU 64 CO 0.00 0.05 1.12 0.00 0.23 0.00 0.00 176.35 177.75 2k9x s ARG 65 N -3.29 2.61 0.25 1.70 1.70 0.25 -4.08 118.95 118.09 2k9x s ARG 65 Ca 0.29 1.40 -0.31 0.00 -0.47 0.00 0.00 55.73 56.65 2k9x s ARG 65 Cb -0.08 -1.92 -0.13 0.00 -0.57 0.00 0.00 34.95 32.24 2k9x s ARG 65 CO 0.20 -1.40 1.41 -2.30 -1.08 0.00 0.00 175.30 172.12 2k9x n PRO 66 N -2.65 2.07 0.00 3.89 -0.02 -1.26 -3.77 135.00 133.26 2k9x n PRO 66 Ca 0.11 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2k9x n PRO 66 Cb 0.52 -2.39 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 2.06 3.84 3.75 -1.23 0.00 -1.26 -4.89 105.19 107.46 2k9x n GLY 67 Ca 0.11 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 4.36 -0.43 -0.61 1.01 -1.25 -0.96 121.20 123.32 2k9x s ILE 68 Ca 0.00 1.95 -0.09 0.00 0.00 0.00 0.00 60.65 62.50 2k9x s ILE 68 Cb 0.00 -4.26 0.09 0.00 0.01 0.00 0.00 42.46 38.30 2k9x s ILE 68 CO 0.00 0.43 0.28 -0.22 0.00 0.00 0.00 174.94 175.42 2k9x s LEU 69 N -0.63 5.28 -0.02 2.97 2.96 0.13 -4.87 118.68 124.49 2k9x s LEU 69 Ca 0.42 -1.60 -0.27 0.00 -0.22 0.00 0.00 54.13 52.45 2k9x s LEU 69 Cb -0.24 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2k9x s LEU 69 CO 0.29 -0.57 0.84 0.68 -1.32 0.00 0.00 176.35 176.27 2k9x s VAL 70 N 1.41 4.93 0.04 1.68 -7.23 -1.26 -3.45 120.40 116.52 2k9x s VAL 70 Ca 0.04 1.76 0.05 0.00 -1.81 0.00 0.00 61.98 62.01 2k9x s VAL 70 Cb -0.24 -4.18 -0.02 0.00 0.56 0.00 0.00 36.38 32.50 2k9x s VAL 70 CO 0.01 0.22 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.12 2k9x s LEU 71 N 0.82 2.18 -0.17 1.32 1.43 -1.20 -1.75 118.68 121.30 2k9x s LEU 71 Ca 0.45 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2k9x s LEU 71 Cb -0.20 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.45 2k9x s LEU 71 CO 0.23 0.02 -0.19 0.68 0.23 0.00 0.00 176.35 177.33 2k9x s VAL 72 N -0.90 2.22 -1.39 -1.59 -7.23 0.37 -3.09 120.40 108.79 2k9x s VAL 72 Ca 0.01 -0.90 -0.09 0.00 -1.81 0.00 0.00 61.98 59.20 2k9x s VAL 72 Cb -0.08 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.96 2k9x s VAL 72 CO 0.01 0.53 1.07 0.59 -0.31 0.00 0.00 175.10 176.99 2k9x n ASN 73 N 4.48 -5.05 -1.97 4.85 4.13 -0.61 -1.42 115.26 119.68 2k9x n ASN 73 Ca -0.20 -0.64 -0.16 0.00 1.68 0.00 0.00 54.58 55.25 2k9x n ASN 73 Cb 0.50 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 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 -2.98 -4.80 -3.94 6.41 2.88 -1.26 -5.01 113.62 104.93 2k9x n SER 74 Ca -0.04 -0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.32 2k9x n SER 74 Cb 0.57 -3.83 -0.10 0.00 -0.75 0.00 0.00 64.21 60.10 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 1.24 2.50 0.14 0.00 8.00 -1.26 0.14 116.55 127.31 2k9x n ASP 76 Ca -0.22 0.84 0.09 0.00 0.71 0.00 0.00 54.79 56.21 2k9x n ASP 76 Cb 0.56 -1.22 0.06 0.00 -0.02 0.00 0.00 41.12 40.50 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 9.26 0.73 0.00 2.24 0.00 -1.64 -3.30 119.26 126.55 2k9x h ALA 77 Ca -0.40 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2k9x h ALA 77 Cb 1.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2k9x h ALA 77 CO 0.98 0.22 -0.59 0.93 0.00 0.00 0.00 179.25 180.79 2k9x h GLU 78 N 0.00 0.00 -0.24 0.00 4.39 -1.87 0.52 114.58 117.38 2k9x h GLU 78 Ca -0.02 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 2k9x h GLU 78 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2k9x h GLU 78 CO 0.02 0.59 -0.55 0.28 -1.16 0.00 0.00 179.01 178.18 2k9x h VAL 79 N 0.00 1.29 -0.03 3.13 2.07 -1.93 -3.23 116.25 117.55 2k9x h VAL 79 Ca -0.01 -1.75 -0.17 0.00 0.82 0.00 0.00 66.70 65.59 2k9x h VAL 79 Cb 1.22 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2k9x h VAL 79 CO 0.08 0.56 -0.76 -0.37 0.02 0.00 0.00 177.57 177.10 2k9x h VAL 80 N 0.55 1.45 0.00 2.57 -1.51 -1.66 -3.46 116.25 114.19 2k9x h VAL 80 Ca -0.00 -2.35 0.00 0.00 -1.23 0.00 0.00 66.70 63.12 2k9x h VAL 80 Cb 1.17 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.59 2k9x h VAL 80 CO 0.12 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.76 2k9x n GLY 81 N 0.61 -0.13 1.04 5.19 0.00 -0.95 -4.96 105.19 105.99 2k9x n GLY 81 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.05 2.54 0.78 -0.02 0.00 0.18 -4.41 105.19 103.21 2k9x n GLY 82 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 0.26 -0.24 1.61 0.00 -1.26 -4.80 117.12 112.70 2k9x n MET 83 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 57.70 56.06 2k9x n MET 83 Cb 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 33.22 32.72 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 -0.09 0.83 -4.66 3.17 2.03 -1.26 -4.17 116.55 112.40 2k9x n ASP 84 Ca 0.05 -2.10 -0.43 0.00 0.52 0.00 0.00 54.79 52.83 2k9x n ASP 84 Cb 0.84 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.86 3.16 0.52 -0.67 5.04 -1.26 -4.69 117.35 118.60 2k9x s TYR 85 Ca 0.08 1.29 -0.21 0.00 -2.44 0.00 0.00 57.07 55.79 2k9x s TYR 85 Cb 0.07 -3.36 -0.06 0.00 0.35 0.00 0.00 41.96 38.97 2k9x s TYR 85 CO 0.01 -0.96 1.22 0.14 -1.34 0.00 0.00 175.55 174.61 2k9x s VAL 86 N 3.18 2.74 0.18 3.14 -7.23 -1.26 0.41 120.40 121.56 2k9x s VAL 86 Ca 0.49 0.52 0.01 0.00 -1.81 0.00 0.00 61.98 61.19 2k9x s VAL 86 Cb -0.18 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2k9x s VAL 86 CO 0.11 -0.04 0.34 -0.22 -0.31 0.00 0.00 175.10 174.98 2k9x s LEU 87 N -3.51 4.28 -0.17 1.32 0.20 -0.13 -4.84 118.68 115.83 2k9x s LEU 87 Ca 0.70 0.30 -0.30 0.00 0.69 0.00 0.00 54.13 55.52 2k9x s LEU 87 Cb -0.31 -3.05 0.14 0.00 -0.43 0.00 0.00 46.19 42.53 2k9x s LEU 87 CO 0.36 -0.00 1.07 0.20 -0.29 0.00 0.00 176.35 177.69 2k9x s ASN 88 N -3.21 -0.29 -0.32 3.68 -0.87 -1.26 -4.43 114.94 108.25 2k9x s ASN 88 Ca 0.37 0.26 -0.30 0.00 -1.57 0.00 0.00 52.86 51.61 2k9x s ASN 88 Cb -0.11 0.25 -0.08 0.00 -0.02 0.00 0.00 41.25 41.29 2k9x s ASN 88 CO 0.29 -0.31 2.26 0.47 -2.57 0.00 0.00 177.10 177.24 2k9x n ASP 89 N 0.51 2.71 0.00 -1.22 8.00 -1.26 -1.94 116.55 123.34 2k9x n ASP 89 Ca -0.07 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2k9x n ASP 89 Cb 0.59 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 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 6.07 1.87 3.96 0.44 0.00 0.68 -4.53 105.19 113.68 2k9x n GLY 90 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 5.55 -0.16 1.61 2.15 -0.82 -4.82 116.67 118.18 2k9x s ASP 91 Ca 0.00 0.14 -0.04 0.00 0.43 0.00 0.00 52.55 53.07 2k9x s ASP 91 Cb 0.00 -1.20 0.06 0.00 -0.30 0.00 0.00 42.92 41.48 2k9x s ASP 91 CO 0.00 -0.92 0.12 -0.89 -0.17 0.00 0.00 175.17 173.31 2k9x s THR 92 N -2.66 -0.16 -0.15 1.71 2.01 -1.26 0.39 115.64 115.52 2k9x s THR 92 Ca 0.53 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2k9x s THR 92 Cb -0.10 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.89 2k9x s THR 92 CO 0.38 -0.19 -0.17 0.54 -0.69 0.00 0.00 174.62 174.49 2k9x s VAL 93 N 2.20 1.76 0.18 3.82 0.11 0.83 -1.58 120.40 127.73 2k9x s VAL 93 Ca 0.04 -0.76 0.09 0.00 -2.93 0.00 0.00 61.98 58.42 2k9x s VAL 93 Cb -0.15 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 2k9x s VAL 93 CO -0.09 0.49 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.37 2k9x s GLU 94 N 1.29 1.36 -0.26 1.54 2.02 -1.18 -3.08 118.70 120.39 2k9x s GLU 94 Ca 0.02 -1.48 -0.01 0.00 0.02 0.00 0.00 54.97 53.52 2k9x s GLU 94 Cb -0.13 -1.44 0.08 0.00 0.10 0.00 0.00 34.13 32.74 2k9x s GLU 94 CO -0.09 0.29 0.06 -0.06 0.02 0.00 0.00 175.26 175.48 2k9x s PHE 95 N -2.10 1.55 -0.17 1.61 0.40 -1.17 -3.28 117.98 114.81 2k9x s PHE 95 Ca 0.18 -1.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.08 2k9x s PHE 95 Cb -0.06 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 42.03 2k9x s PHE 95 CO 0.08 -0.78 -0.18 0.42 0.70 0.00 0.00 175.22 175.46 2k9x s ILE 96 N 1.68 1.90 0.42 0.64 1.01 -1.22 -2.30 121.20 123.32 2k9x s ILE 96 Ca 0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2k9x s ILE 96 Cb -0.17 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.45 2k9x s ILE 96 CO -0.18 0.48 0.88 -0.94 0.00 0.00 0.00 174.94 175.19 2k9x s SER 97 N 1.35 6.78 0.00 3.58 1.04 -1.25 0.19 113.70 125.40 2k9x s SER 97 Ca 0.04 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.97 2k9x s SER 97 Cb -0.13 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2k9x s SER 97 CO -0.12 -0.37 0.00 0.35 0.98 0.00 0.00 173.24 174.08 2k9x n THR 98 N -0.83 0.00 -2.29 2.02 -2.24 -0.14 -4.79 114.28 106.02 2k9x n THR 98 Ca 0.05 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 2k9x n THR 98 Cb 0.54 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 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 -4.34 3.31 -0.11 3.22 1.98 -1.22 -4.67 118.68 116.86 2k9x s LEU 99 Ca 0.00 -0.90 0.12 0.00 -2.89 0.00 0.00 54.13 50.46 2k9x s LEU 99 Cb 0.00 -2.56 -0.17 0.00 0.66 0.00 0.00 46.19 44.12 2k9x s LEU 99 CO 0.00 -2.16 0.10 0.00 -1.89 0.00 0.00 176.35 172.40 2k9x n HIS 100 N 11.54 0.00 0.00 5.38 1.44 -1.26 -4.38 115.22 127.93 2k9x n HIS 100 Ca 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2k9x n HIS 100 Cb 0.49 -0.58 0.00 0.00 0.12 0.00 0.00 29.99 30.02 2k9x n HIS 100 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k9x n GLY 101 N 2.10 4.46 0.00 -1.39 0.00 -1.26 -5.19 105.19 103.91 2k9x n GLY 101 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93