#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 6.92 -0.15 7.83 0.15 -1.26 -4.61 113.70 122.58 2k9x s SER 2 Ca 0.00 -2.64 0.01 0.00 0.70 0.00 0.00 55.95 54.02 2k9x s SER 2 Cb 0.00 -2.46 -0.10 0.00 -1.71 0.00 0.00 66.02 61.75 2k9x s SER 2 CO 0.00 -0.95 -0.13 0.59 1.20 0.00 0.00 173.24 173.95 2k9x n ASN 3 N 6.74 2.80 -0.65 5.45 5.03 -1.26 -5.14 115.26 128.24 2k9x n ASN 3 Ca 0.39 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.76 2k9x n ASN 3 Cb 0.45 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 2k9x n ASN 3 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2k9x n HIS 4 N -2.93 -1.73 -2.38 3.10 -0.00 -1.26 -4.90 115.22 105.12 2k9x n HIS 4 Ca -0.27 0.91 -0.42 0.00 -0.00 0.00 0.00 57.72 57.94 2k9x n HIS 4 Cb 0.79 -2.12 -0.03 0.00 -0.00 0.00 0.00 29.99 28.62 2k9x n HIS 4 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k9x s ASN 5 N -2.01 7.04 -0.24 0.26 2.20 -1.26 -4.69 114.94 116.23 2k9x s ASN 5 Ca 0.00 2.05 -0.27 0.00 -0.94 0.00 0.00 52.86 53.70 2k9x s ASN 5 Cb 0.00 -2.58 0.13 0.00 -2.00 0.00 0.00 41.25 36.80 2k9x s ASN 5 CO 0.00 -0.51 1.06 -1.38 -2.94 0.00 0.00 177.10 173.33 2k9x s HIS 6 N 1.17 -0.39 0.15 1.54 -3.43 -1.26 -4.66 115.29 108.42 2k9x s HIS 6 Ca 0.59 0.85 0.10 0.00 -0.80 0.00 0.00 55.06 55.80 2k9x s HIS 6 Cb -0.30 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 2k9x s HIS 6 CO 0.29 -0.25 -0.19 0.42 -2.00 0.00 0.00 174.74 173.01 2k9x s ILE 7 N -0.31 2.69 -0.35 -5.38 -1.09 -0.49 -0.48 121.20 115.79 2k9x s ILE 7 Ca 0.02 -1.73 0.01 0.00 -2.23 0.00 0.00 60.65 56.72 2k9x s ILE 7 Cb -0.03 -2.27 0.09 0.00 -1.58 0.00 0.00 42.46 38.67 2k9x s ILE 7 CO -0.04 -0.01 0.08 -0.89 -1.23 0.00 0.00 174.94 172.84 2k9x s THR 8 N -1.41 2.68 -0.19 2.92 2.01 0.78 -3.39 115.64 119.04 2k9x s THR 8 Ca 0.20 -2.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.13 2k9x s THR 8 Cb -0.09 -2.83 0.05 0.00 0.01 0.00 0.00 72.50 69.64 2k9x s THR 8 CO 0.11 -0.51 -0.04 0.54 -0.69 0.00 0.00 174.62 174.03 2k9x s VAL 9 N 1.04 1.14 0.24 3.82 0.11 -0.68 0.28 120.40 126.35 2k9x s VAL 9 Ca 0.06 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 2k9x s VAL 9 Cb -0.20 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 2k9x s VAL 9 CO -0.06 -0.02 -0.02 0.00 -3.33 0.00 0.00 175.10 171.68 2k9x s GLN 10 N 1.60 1.39 -0.07 1.54 0.00 -1.20 0.11 119.66 123.03 2k9x s GLN 10 Ca -0.02 -1.70 0.03 0.00 -0.00 0.00 0.00 55.36 53.67 2k9x s GLN 10 Cb -0.17 -0.77 0.01 0.00 0.00 0.00 0.00 33.01 32.08 2k9x s GLN 10 CO -0.07 -0.05 -0.16 -0.06 0.00 0.00 0.00 175.29 174.95 2k9x s PHE 11 N -3.30 1.72 0.04 9.60 0.08 -0.09 -3.15 117.98 122.88 2k9x s PHE 11 Ca 0.28 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2k9x s PHE 11 Cb 0.05 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 2k9x s PHE 11 CO 0.09 -0.27 -0.05 0.00 -0.10 0.00 0.00 175.22 174.89 2k9x s ALA 12 N 0.43 0.38 0.00 5.36 0.00 -1.18 -4.48 121.76 122.26 2k9x s ALA 12 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2k9x s ALA 12 Cb -0.15 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2k9x s ALA 12 CO 0.04 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2k9x n GLY 13 N 1.33 1.64 1.25 0.00 0.00 -1.26 -3.49 105.19 104.66 2k9x n GLY 13 Ca -0.22 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 1.51 0.04 -0.02 0.00 -1.25 -4.83 105.19 100.65 2k9x n GLY 14 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 0.10 0.00 0.00 9.09 -1.82 0.76 114.58 122.71 2k9x h GLU 16 Ca -0.22 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.18 2k9x h GLU 16 Cb 1.40 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 2k9x h GLU 16 CO 0.01 0.07 0.00 1.28 0.05 0.00 0.00 179.01 180.42 2k9x n LEU 17 N -4.46 0.54 -0.51 3.06 4.32 -1.26 0.05 117.00 118.74 2k9x n LEU 17 Ca 0.04 0.65 0.03 0.00 -0.02 0.00 0.00 56.01 56.71 2k9x n LEU 17 Cb 0.33 -0.59 0.09 0.00 -1.62 0.00 0.00 43.42 41.63 2k9x n LEU 17 CO 0.35 -0.55 0.51 0.18 -1.22 0.00 0.00 177.39 176.66 2k9x n LEU 18 N -2.11 1.38 0.13 2.23 4.77 0.26 -4.41 117.00 119.25 2k9x n LEU 18 Ca 0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2k9x n LEU 18 Cb 0.20 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2k9x n LEU 18 CO 0.17 0.28 0.00 0.33 -1.33 0.00 0.00 177.39 176.84 2k9x n PHE 19 N 0.08 -2.50 -2.15 -1.77 -0.00 -1.07 -2.57 117.46 107.48 2k9x n PHE 19 Ca 0.06 0.53 -0.00 0.00 -0.00 0.00 0.00 57.45 58.05 2k9x n PHE 19 Cb 0.26 1.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.78 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 -3.31 -1.52 -2.72 3.13 0.00 -1.04 -4.52 120.51 110.54 2k9x n ALA 20 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2k9x n ALA 20 Cb 0.00 -0.42 -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 -0.06 -2.69 -1.81 0.00 4.01 0.11 -4.94 118.16 112.79 2k9x n LYS 21 Ca -0.01 0.52 -0.29 0.00 -0.51 0.00 0.00 58.31 58.02 2k9x n LYS 21 Cb 0.43 -5.15 0.14 0.00 -0.51 0.00 0.00 35.03 29.94 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 -5.32 1.16 0.00 1.97 -1.52 -1.25 -4.94 119.66 109.76 2k9x s GLN 22 Ca 0.12 -0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.46 2k9x s GLN 22 Cb -0.06 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 2k9x s GLN 22 CO 0.15 -2.12 0.00 0.25 -0.25 0.00 0.00 175.29 173.32 2k9x n THR 23 N -3.64 0.00 -4.22 -0.19 -2.24 -1.26 -4.51 114.28 98.21 2k9x n THR 23 Ca 0.11 0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.92 2k9x n THR 23 Cb 0.60 -1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 67.58 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 -2.16 1.73 0.08 3.42 1.04 -1.26 -0.92 113.70 115.63 2k9x s SER 24 Ca 0.00 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.55 2k9x s SER 24 Cb 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2k9x s SER 24 CO 0.00 -0.25 -0.05 -0.76 0.98 0.00 0.00 173.24 173.15 2k9x s LEU 25 N -2.72 2.48 -0.06 2.42 1.02 0.29 -4.93 118.68 117.18 2k9x s LEU 25 Ca 0.11 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.32 2k9x s LEU 25 Cb -0.01 0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.22 2k9x s LEU 25 CO 0.01 -0.48 -0.11 -1.10 0.02 0.00 0.00 176.35 174.69 2k9x s GLN 26 N -3.63 1.52 -0.07 1.70 -0.21 -1.26 -1.68 119.66 116.03 2k9x s GLN 26 Ca 0.08 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2k9x s GLN 26 Cb 0.05 -1.30 -0.03 0.00 1.00 0.00 0.00 33.01 32.73 2k9x s GLN 26 CO -0.06 0.00 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.54 2k9x s LEU 27 N 0.73 3.20 -0.35 2.90 1.43 -1.22 -4.85 118.68 120.53 2k9x s LEU 27 Ca -0.14 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2k9x s LEU 27 Cb -0.15 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.38 2k9x s LEU 27 CO 0.03 0.36 0.18 -1.81 0.23 0.00 0.00 176.35 175.33 2k9x s ASP 28 N -0.77 5.61 -0.04 2.29 1.01 -1.26 -1.40 116.67 122.11 2k9x s ASP 28 Ca 0.12 -0.84 0.06 0.00 0.71 0.00 0.00 52.55 52.60 2k9x s ASP 28 Cb -0.11 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2k9x s ASP 28 CO 0.02 -0.31 -0.23 -0.83 0.21 0.00 0.00 175.17 174.02 2k9x s GLY 29 N 1.56 1.20 0.08 0.21 0.00 -1.26 -5.03 107.32 104.07 2k9x s GLY 29 Ca 0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 2k9x s GLY 29 CO 0.06 -0.66 1.18 -2.08 0.00 0.00 0.00 173.10 171.60 2k9x h VAL 30 N 4.94 1.32 -0.96 1.40 2.07 -1.98 -3.43 116.25 119.61 2k9x h VAL 30 Ca -0.35 -2.41 -0.26 0.00 0.82 0.00 0.00 66.70 64.50 2k9x h VAL 30 Cb 1.16 2.53 -0.20 0.00 -1.52 0.00 0.00 31.29 33.26 2k9x h VAL 30 CO 0.47 0.73 -0.61 0.55 0.02 0.00 0.00 177.57 178.74 2k9x n VAL 31 N -3.79 -0.22 1.89 2.57 3.14 -1.26 -4.99 118.33 115.67 2k9x n VAL 31 Ca -0.11 -1.73 0.08 0.00 -2.96 0.00 0.00 64.34 59.62 2k9x n VAL 31 Cb 0.92 0.55 0.48 0.00 -1.06 0.00 0.00 33.84 34.73 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2k9x n PRO 32 N 2.40 0.95 -0.16 1.45 -0.04 -1.26 -3.90 135.00 134.44 2k9x n PRO 32 Ca 0.17 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2k9x n PRO 32 Cb 0.57 -1.27 0.42 0.00 -0.04 0.00 0.00 33.50 33.18 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 0.94 -0.50 0.52 2.02 -1.93 -0.29 112.91 113.66 2k9x h THR 33 Ca 0.00 -0.21 -0.19 0.00 0.77 0.00 0.00 66.41 66.78 2k9x h THR 33 Cb 0.00 0.28 -0.11 0.00 -1.74 0.00 0.00 68.15 66.57 2k9x h THR 33 CO 0.00 0.11 0.24 0.61 0.37 0.00 0.00 175.52 176.85 2k9x n GLY 34 N -1.47 3.07 3.02 2.16 0.00 -1.25 -4.59 105.19 106.13 2k9x n GLY 34 Ca 0.12 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 1.21 0.51 2.61 2.01 -0.12 -5.08 115.64 114.77 2k9x s THR 35 Ca 0.33 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.91 2k9x s THR 35 Cb 0.27 -1.11 0.04 0.00 0.01 0.00 0.00 72.50 71.71 2k9x s THR 35 CO 0.08 0.38 0.57 0.54 -0.69 0.00 0.00 174.62 175.49 2k9x s ASN 36 N 0.80 5.02 0.23 3.53 2.20 -1.26 -1.84 114.94 123.63 2k9x s ASN 36 Ca -0.12 -0.89 -0.07 0.00 -0.94 0.00 0.00 52.86 50.85 2k9x s ASN 36 Cb -0.15 0.04 0.29 0.00 -2.00 0.00 0.00 41.25 39.43 2k9x s ASN 36 CO 0.02 -1.06 1.86 0.25 -2.94 0.00 0.00 177.10 175.23 2k9x h LEU 37 N 0.58 0.84 -1.32 3.54 6.46 -1.61 -0.61 115.31 123.18 2k9x h LEU 37 Ca -0.35 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.54 2k9x h LEU 37 Cb 1.29 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.98 2k9x h LEU 37 CO 0.49 0.56 0.55 0.78 -0.62 0.00 0.00 178.44 180.20 2k9x h ASN 38 N 0.98 0.65 0.87 1.25 -0.26 -1.81 0.13 115.58 117.39 2k9x h ASN 38 Ca 0.35 0.03 -0.22 0.00 -0.56 0.00 0.00 56.30 55.91 2k9x h ASN 38 Cb 0.10 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 2k9x h ASN 38 CO -0.15 0.36 -1.01 1.23 -1.06 0.00 0.00 177.43 176.80 2k9x h GLY 39 N 0.71 0.08 0.50 2.83 0.00 -1.60 -2.99 103.07 102.59 2k9x h GLY 39 Ca 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 2k9x h GLY 39 CO -0.17 0.16 -0.05 -2.00 0.00 0.00 0.00 176.54 174.48 2k9x h LEU 40 N 0.02 -0.11 0.52 3.11 5.85 0.42 -2.63 115.31 122.50 2k9x h LEU 40 Ca -0.04 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2k9x h LEU 40 Cb 1.74 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2k9x h LEU 40 CO 0.14 0.38 -0.37 -0.37 -0.34 0.00 0.00 178.44 177.88 2k9x h VAL 41 N -0.63 0.24 -0.76 1.05 -1.51 -0.96 -1.70 116.25 111.98 2k9x h VAL 41 Ca -0.01 0.00 0.22 0.00 -1.23 0.00 0.00 66.70 65.68 2k9x h VAL 41 Cb 0.51 0.24 -0.03 0.00 -2.13 0.00 0.00 31.29 29.88 2k9x h VAL 41 CO 0.02 0.00 0.60 -0.61 -1.23 0.00 0.00 177.57 176.35 2k9x h GLN 42 N -0.87 0.00 0.00 5.19 4.15 -1.63 0.37 115.11 122.32 2k9x h GLN 42 Ca -0.06 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 2k9x h GLN 42 Cb 0.73 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 2k9x h GLN 42 CO 0.02 0.00 -0.64 1.25 -1.93 0.00 0.00 178.83 177.53 2k9x h LEU 43 N 0.00 0.00 0.03 -2.39 5.85 -0.94 -2.86 115.31 115.00 2k9x h LEU 43 Ca 0.36 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.71 2k9x h LEU 43 Cb 1.55 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 2k9x h LEU 43 CO -0.00 0.64 -2.28 0.00 -0.34 0.00 0.00 178.44 176.46 2k9x n LEU 44 N -3.35 2.13 -0.00 2.25 -0.00 0.90 -3.97 117.00 114.96 2k9x n LEU 44 Ca 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2k9x n LEU 44 Cb 0.75 -0.59 -0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2k9x n LEU 44 CO 0.42 0.79 -0.02 0.07 -0.00 0.00 0.00 177.39 178.65 2k9x h LYS 45 N 0.02 0.00 -0.20 1.47 2.10 -0.63 -0.01 116.57 119.32 2k9x h LYS 45 Ca -0.51 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.20 2k9x h LYS 45 Cb 2.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.33 2k9x h LYS 45 CO -0.01 0.00 0.31 1.15 -2.00 0.00 0.00 179.45 178.90 2k9x h THR 46 N -0.08 0.27 0.00 0.07 2.02 -1.68 0.58 112.91 114.10 2k9x h THR 46 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2k9x h THR 46 Cb 0.02 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2k9x h THR 46 CO 0.00 0.00 -1.82 0.59 0.37 0.00 0.00 175.52 174.66 2k9x n ASN 47 N -3.47 0.99 -2.69 4.18 4.13 -1.13 -4.73 115.26 112.54 2k9x n ASN 47 Ca 0.02 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.21 2k9x n ASN 47 Cb 0.43 1.76 0.07 0.00 -1.54 0.00 0.00 39.78 40.49 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2k9x n TYR 48 N -2.13 -0.27 -3.45 3.10 4.01 -0.02 -4.97 117.16 113.42 2k9x n TYR 48 Ca -0.04 -2.36 -0.37 0.00 -0.16 0.00 0.00 57.90 54.97 2k9x n TYR 48 Cb 0.49 0.44 -0.06 0.00 -0.31 0.00 0.00 39.34 39.89 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 -1.86 5.22 -0.29 -0.72 0.11 0.19 -4.58 120.40 118.47 2k9x s VAL 49 Ca 0.24 0.75 0.08 0.00 -2.93 0.00 0.00 61.98 60.12 2k9x s VAL 49 Cb 0.42 -3.71 0.47 0.00 -1.53 0.00 0.00 36.38 32.03 2k9x s VAL 49 CO -0.02 0.40 1.38 0.29 -3.33 0.00 0.00 175.10 173.82 2k9x n LYS 50 N 3.26 2.14 -1.66 1.54 5.02 -1.06 -5.02 118.16 122.39 2k9x n LYS 50 Ca -0.11 -3.42 -0.01 0.00 -2.02 0.00 0.00 58.31 52.76 2k9x n LYS 50 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.04 0.18 -1.86 1.97 4.07 -1.26 -4.64 120.64 118.06 2k9x n GLU 51 Ca 0.33 -0.37 -0.43 0.00 -0.06 0.00 0.00 57.16 56.64 2k9x n GLU 51 Cb 0.91 0.47 -0.03 0.00 -0.06 0.00 0.00 31.44 32.73 2k9x n GLU 51 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k9x s ARG 52 N -2.01 3.34 0.64 5.31 3.52 -1.26 -4.85 118.95 123.63 2k9x s ARG 52 Ca 0.03 1.71 0.40 0.00 -0.13 0.00 0.00 55.73 57.74 2k9x s ARG 52 Cb -0.01 -4.24 2.23 0.00 -1.56 0.00 0.00 34.95 31.37 2k9x s ARG 52 CO 0.02 -1.86 2.33 -1.00 -0.81 0.00 0.00 175.30 173.98 2k9x h PRO 53 N 13.36 0.00 -0.33 5.12 0.13 -1.98 -0.90 132.00 147.40 2k9x h PRO 53 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 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 1.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.52 2k9x n ASP 54 N -3.32 2.13 0.06 1.44 8.00 -1.26 -3.77 116.55 119.82 2k9x n ASP 54 Ca -0.03 -1.90 0.11 0.00 0.71 0.00 0.00 54.79 53.69 2k9x n ASP 54 Cb 0.08 -0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 2k9x n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9x n LEU 55 N 0.64 0.56 -0.12 0.64 -0.00 -0.34 -4.52 117.00 113.86 2k9x n LEU 55 Ca 0.15 0.17 -0.25 0.00 -0.00 0.00 0.00 56.01 56.09 2k9x n LEU 55 Cb 0.36 -0.05 -0.09 0.00 -0.00 0.00 0.00 43.42 43.64 2k9x n LEU 55 CO 0.11 -0.09 -1.32 0.00 -0.00 0.00 0.00 177.39 176.08 2k9x n LEU 56 N -2.42 1.90 -4.67 1.47 -0.00 -1.25 -4.91 117.00 107.11 2k9x n LEU 56 Ca -0.01 0.24 -0.38 0.00 -0.00 0.00 0.00 56.01 55.86 2k9x n LEU 56 Cb 0.53 -0.73 0.05 0.00 -0.00 0.00 0.00 43.42 43.28 2k9x n LEU 56 CO 0.42 0.56 0.74 1.33 -0.00 0.00 0.00 177.39 180.44 2k9x n VAL 57 N -3.96 3.90 0.23 1.47 0.24 -1.25 0.93 118.33 119.89 2k9x n VAL 57 Ca -0.47 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.22 2k9x n VAL 57 Cb 0.85 -1.36 -0.06 0.00 -1.47 0.00 0.00 33.84 31.81 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 0.83 -0.53 0.00 -1.34 3.58 0.06 -3.35 116.42 115.67 2k9x h ASP 58 Ca -0.49 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2k9x h ASP 58 Cb 1.34 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.53 2k9x h ASP 58 CO 0.53 -0.11 0.00 1.67 -2.88 0.00 0.00 179.24 178.45 2k9x n GLN 59 N -5.20 0.00 0.00 0.28 0.00 -1.26 -4.84 117.38 106.35 2k9x n GLN 59 Ca -0.09 0.00 0.05 0.00 -0.00 0.00 0.00 57.00 56.96 2k9x n GLN 59 Cb 0.28 0.00 0.29 0.00 0.00 0.00 0.00 30.24 30.80 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2k9x n THR 60 N -2.20 0.00 -2.23 1.69 -2.24 -1.26 -4.85 114.28 103.18 2k9x n THR 60 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2k9x n THR 60 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.50 -0.03 0.23 3.38 0.00 -1.26 -4.79 105.19 103.22 2k9x n GLY 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.81 0.00 -5.07 1.61 -0.06 -1.26 -5.04 117.38 104.75 2k9x n GLN 62 Ca -0.21 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.46 2k9x n GLN 62 Cb 0.66 -0.84 -0.15 0.00 -4.06 0.00 0.00 30.24 25.85 2k9x n GLN 62 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2k9x s THR 63 N -1.91 2.53 0.71 1.69 -4.23 -1.26 -4.88 115.64 108.28 2k9x s THR 63 Ca 0.00 -0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 59.47 2k9x s THR 63 Cb 0.00 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.90 2k9x s THR 63 CO 0.00 0.57 1.14 -0.76 -0.54 0.00 0.00 174.62 175.03 2k9x s LEU 64 N -0.29 3.29 0.81 4.79 1.43 -1.26 0.66 118.68 128.12 2k9x s LEU 64 Ca 0.01 2.11 -0.10 0.00 -1.03 0.00 0.00 54.13 55.12 2k9x s LEU 64 Cb -0.13 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.61 2k9x s LEU 64 CO 0.03 -1.98 1.10 0.00 0.23 0.00 0.00 176.35 175.73 2k9x s ARG 65 N -4.15 1.92 0.46 1.70 1.70 0.26 -4.19 118.95 116.66 2k9x s ARG 65 Ca 0.69 1.25 0.23 0.00 -0.47 0.00 0.00 55.73 57.43 2k9x s ARG 65 Cb -0.23 -1.85 1.23 0.00 -0.57 0.00 0.00 34.95 33.52 2k9x s ARG 65 CO 0.45 -1.90 1.86 -1.35 -1.08 0.00 0.00 175.30 173.27 2k9x h PRO 66 N -1.32 0.25 -0.73 3.89 0.11 -1.95 -0.63 132.00 131.62 2k9x h PRO 66 Ca -0.44 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.84 2k9x h PRO 66 Cb 1.24 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2k9x h PRO 66 CO 0.49 0.17 0.51 0.78 -0.21 0.00 0.00 178.00 179.73 2k9x h GLY 67 N 0.26 0.36 -2.42 -0.55 0.00 -1.91 -3.41 103.07 95.39 2k9x h GLY 67 Ca 0.47 -0.09 -0.48 0.00 0.00 0.00 0.00 47.33 47.24 2k9x h GLY 67 CO -0.13 0.02 0.21 -0.42 0.00 0.00 0.00 176.54 176.21 2k9x s ILE 68 N -5.20 4.60 -0.32 2.60 -1.09 -0.25 -0.66 121.20 120.89 2k9x s ILE 68 Ca -0.06 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.44 2k9x s ILE 68 Cb 0.21 -3.64 0.10 0.00 -1.58 0.00 0.00 42.46 37.55 2k9x s ILE 68 CO 0.76 -0.35 0.08 -0.76 -1.23 0.00 0.00 174.94 173.44 2k9x s LEU 69 N -3.35 3.11 -0.20 2.97 2.01 0.43 -4.90 118.68 118.76 2k9x s LEU 69 Ca 0.56 -1.83 -0.25 0.00 0.01 0.00 0.00 54.13 52.62 2k9x s LEU 69 Cb -0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 46.19 44.96 2k9x s LEU 69 CO 0.21 -0.40 0.83 0.68 1.01 0.00 0.00 176.35 178.68 2k9x s VAL 70 N 1.35 4.86 -0.02 -1.59 -7.23 -1.25 -2.84 120.40 113.67 2k9x s VAL 70 Ca 0.10 1.61 0.03 0.00 -1.81 0.00 0.00 61.98 61.92 2k9x s VAL 70 Cb -0.18 -4.13 -0.00 0.00 0.56 0.00 0.00 36.38 32.63 2k9x s VAL 70 CO -0.19 -0.02 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.72 2k9x s LEU 71 N 2.45 1.90 -0.24 1.32 1.43 -1.16 -0.85 118.68 123.52 2k9x s LEU 71 Ca 0.37 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2k9x s LEU 71 Cb -0.16 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2k9x s LEU 71 CO 0.10 0.10 0.01 0.68 0.23 0.00 0.00 176.35 177.48 2k9x s VAL 72 N -0.01 3.76 0.00 -1.59 -7.23 0.25 -1.72 120.40 113.86 2k9x s VAL 72 Ca 0.00 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2k9x s VAL 72 Cb -0.07 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2k9x s VAL 72 CO 0.00 0.33 0.00 0.59 -0.31 0.00 0.00 175.10 175.71 2k9x n ASN 73 N 4.85 0.00 -1.52 4.85 3.02 -1.23 -1.49 115.26 123.74 2k9x n ASN 73 Ca -0.17 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.36 2k9x n ASN 73 Cb 0.50 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k9x n SER 74 N 1.70 -0.16 -3.61 6.41 2.88 -1.26 -5.07 113.62 114.51 2k9x n SER 74 Ca 0.00 -2.03 -0.16 0.00 -1.33 0.00 0.00 58.87 55.36 2k9x n SER 74 Cb 0.00 0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.61 2.48 0.20 0.00 9.92 -1.26 0.87 116.55 130.37 2k9x n ASP 76 Ca -0.18 1.10 0.09 0.00 -0.53 0.00 0.00 54.79 55.27 2k9x n ASP 76 Cb 0.56 -1.34 0.30 0.00 -0.64 0.00 0.00 41.12 40.01 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 5.19 0.91 0.00 2.24 0.00 -1.29 -3.03 119.26 123.27 2k9x h ALA 77 Ca -0.46 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k9x h ALA 77 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k9x h ALA 77 CO 0.83 0.31 0.00 0.93 0.00 0.00 0.00 179.25 181.32 2k9x h GLU 78 N 0.00 0.00 -0.47 0.00 5.08 -1.85 0.12 114.58 117.46 2k9x h GLU 78 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2k9x h GLU 78 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2k9x h GLU 78 CO 0.03 0.00 0.12 0.28 -1.00 0.00 0.00 179.01 178.45 2k9x h VAL 79 N 0.00 1.20 0.01 3.13 2.07 -1.89 -3.26 116.25 117.51 2k9x h VAL 79 Ca 0.00 -0.70 -0.38 0.00 0.82 0.00 0.00 66.70 66.44 2k9x h VAL 79 Cb 0.67 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2k9x h VAL 79 CO 0.00 0.26 -2.40 1.33 0.02 0.00 0.00 177.57 176.78 2k9x n VAL 80 N -4.31 1.50 0.21 2.57 0.24 -1.18 -4.99 118.33 112.37 2k9x n VAL 80 Ca 0.03 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2k9x n VAL 80 Cb 0.20 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 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 2.11 -1.27 0.00 7.63 0.00 -0.74 -5.03 105.19 107.89 2k9x n GLY 81 Ca -0.41 0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.39 2.89 0.00 -0.02 0.00 0.35 -4.51 105.19 103.51 2k9x n GLY 82 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.49 -0.49 1.61 0.00 -1.26 -4.76 117.12 112.71 2k9x n MET 83 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 57.70 57.10 2k9x n MET 83 Cb 0.00 -0.80 0.15 0.00 0.00 0.00 0.00 33.22 32.57 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 -0.14 1.73 -4.56 3.17 2.03 -1.26 -2.36 116.55 115.16 2k9x n ASP 84 Ca 0.00 -3.26 -0.33 0.00 0.52 0.00 0.00 54.79 51.72 2k9x n ASP 84 Cb 0.21 -0.44 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 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 -2.51 2.15 0.36 -0.67 6.14 -1.26 -4.70 117.35 116.86 2k9x s TYR 85 Ca 0.32 -0.08 -0.28 0.00 0.64 0.00 0.00 57.07 57.67 2k9x s TYR 85 Cb 0.31 -4.33 -0.11 0.00 0.42 0.00 0.00 41.96 38.25 2k9x s TYR 85 CO -0.04 -1.78 1.47 0.14 0.64 0.00 0.00 175.55 175.97 2k9x s VAL 86 N 7.86 2.16 0.58 3.14 -7.23 -1.26 -3.35 120.40 122.29 2k9x s VAL 86 Ca 0.60 0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 60.91 2k9x s VAL 86 Cb -0.03 -3.10 0.03 0.00 0.56 0.00 0.00 36.38 33.84 2k9x s VAL 86 CO -0.03 0.04 0.83 -0.76 -0.31 0.00 0.00 175.10 174.87 2k9x s LEU 87 N -1.92 3.21 -0.26 1.32 1.02 -0.76 -5.01 118.68 116.28 2k9x s LEU 87 Ca 0.53 0.23 0.07 0.00 0.02 0.00 0.00 54.13 54.97 2k9x s LEU 87 Cb -0.45 -3.04 0.24 0.00 0.02 0.00 0.00 46.19 42.95 2k9x s LEU 87 CO 0.60 -1.18 1.15 -0.46 0.02 0.00 0.00 176.35 176.48 2k9x n ASN 88 N -2.48 -1.10 -2.39 2.29 0.23 -1.26 -3.24 115.26 107.31 2k9x n ASN 88 Ca 0.07 -1.84 -0.03 0.00 -0.53 0.00 0.00 54.58 52.25 2k9x n ASN 88 Cb 0.59 0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 38.89 2k9x n ASN 88 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2k9x n ASP 89 N -0.78 -2.78 0.00 0.53 8.00 -1.26 -4.86 116.55 115.40 2k9x n ASP 89 Ca -0.12 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.47 2k9x n ASP 89 Cb 0.73 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 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 1.07 1.94 3.83 0.44 0.00 0.37 -4.75 105.19 108.09 2k9x n GLY 90 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 6.89 -0.06 1.61 2.15 -1.23 -4.91 116.67 119.12 2k9x s ASP 91 Ca 0.00 1.15 0.05 0.00 0.43 0.00 0.00 52.55 54.18 2k9x s ASP 91 Cb 0.00 -2.32 -0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2k9x s ASP 91 CO 0.00 0.12 -0.20 -0.89 -0.17 0.00 0.00 175.17 174.03 2k9x s THR 92 N -1.42 1.72 -0.06 1.71 2.01 -1.26 -0.16 115.64 118.18 2k9x s THR 92 Ca 0.37 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 2k9x s THR 92 Cb -0.16 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 70.92 2k9x s THR 92 CO 0.19 0.48 0.13 0.54 -0.69 0.00 0.00 174.62 175.28 2k9x s VAL 93 N 0.08 -0.05 0.18 3.82 0.11 0.14 -3.51 120.40 121.18 2k9x s VAL 93 Ca -0.07 0.18 0.10 0.00 -2.93 0.00 0.00 61.98 59.25 2k9x s VAL 93 Cb -0.14 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2k9x s VAL 93 CO 0.04 0.07 -0.20 -1.61 -3.33 0.00 0.00 175.10 170.07 2k9x s GLU 94 N 1.11 1.38 -0.22 1.54 2.02 -0.70 -3.21 118.70 120.61 2k9x s GLU 94 Ca -0.09 -1.48 -0.02 0.00 0.02 0.00 0.00 54.97 53.41 2k9x s GLU 94 Cb -0.11 -1.51 0.07 0.00 0.10 0.00 0.00 34.13 32.67 2k9x s GLU 94 CO -0.05 0.31 0.03 -0.06 0.02 0.00 0.00 175.26 175.51 2k9x s PHE 95 N -1.99 1.41 -0.18 1.61 0.08 -1.19 -3.00 117.98 114.72 2k9x s PHE 95 Ca 0.18 -1.19 -0.02 0.00 0.12 0.00 0.00 56.93 56.02 2k9x s PHE 95 Cb -0.06 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2k9x s PHE 95 CO 0.08 -0.69 -0.10 0.42 -0.10 0.00 0.00 175.22 174.83 2k9x s ILE 96 N 1.73 3.06 -0.11 0.64 1.01 -1.13 -3.13 121.20 123.26 2k9x s ILE 96 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 2k9x s ILE 96 Cb -0.17 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2k9x s ILE 96 CO -0.11 0.48 0.44 -0.44 0.00 0.00 0.00 174.94 175.31 2k9x s SER 97 N 1.06 6.66 0.02 3.58 0.01 -1.23 -0.43 113.70 123.36 2k9x s SER 97 Ca -0.00 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2k9x s SER 97 Cb -0.15 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2k9x s SER 97 CO -0.02 0.04 0.00 0.35 0.41 0.00 0.00 173.24 174.03 2k9x n THR 98 N 3.50 0.08 -2.97 1.44 -2.24 0.17 -3.80 114.28 110.46 2k9x n THR 98 Ca -0.08 0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 2k9x n THR 98 Cb 0.52 -1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 2k9x n THR 98 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2k9x s LEU 99 N -5.82 4.29 -0.14 3.22 0.20 -1.24 -4.94 118.68 114.26 2k9x s LEU 99 Ca 0.00 1.24 0.05 0.00 0.69 0.00 0.00 54.13 56.11 2k9x s LEU 99 Cb 0.00 -3.18 -0.11 0.00 -0.43 0.00 0.00 46.19 42.47 2k9x s LEU 99 CO 0.00 -0.20 -0.07 0.00 -0.29 0.00 0.00 176.35 175.80 2k9x n HIS 100 N 4.11 0.00 -4.40 5.38 1.44 -1.26 -4.62 115.22 115.87 2k9x n HIS 100 Ca 0.01 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.52 2k9x n HIS 100 Cb 0.51 -0.57 -0.10 0.00 0.12 0.00 0.00 29.99 29.94 2k9x n HIS 100 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2k9x s GLY 101 N -5.05 1.96 0.00 -1.39 0.00 -1.26 -5.16 107.32 96.41 2k9x s GLY 101 Ca -0.15 -1.99 0.06 0.00 0.00 0.00 0.00 44.72 42.64 2k9x s GLY 101 CO 0.39 -1.74 0.68 0.61 0.00 0.00 0.00 173.10 173.04