#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 -0.02 -4.38 3.17 0.02 -2.06 -3.47 113.55 106.81 2k9x h SER 2 Ca 0.00 -0.72 -0.39 0.00 -0.84 0.00 0.00 61.79 59.85 2k9x h SER 2 Cb 0.00 0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.56 2k9x h SER 2 CO 0.00 0.79 -0.56 0.59 -1.14 0.00 0.00 176.83 176.51 2k9x n ASN 3 N -4.70 -5.40 -4.44 3.07 4.13 -1.26 -4.98 115.26 101.67 2k9x n ASN 3 Ca -0.08 -0.22 -0.26 0.00 1.68 0.00 0.00 54.58 55.71 2k9x n ASN 3 Cb 0.36 -4.42 0.14 0.00 -1.54 0.00 0.00 39.78 34.33 2k9x n ASN 3 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2k9x s HIS 4 N -3.05 1.32 -0.52 3.10 -3.43 -1.26 -5.04 115.29 106.42 2k9x s HIS 4 Ca 0.24 -0.18 -0.21 0.00 -0.80 0.00 0.00 55.06 54.11 2k9x s HIS 4 Cb -0.11 -3.36 0.05 0.00 -1.43 0.00 0.00 32.58 27.73 2k9x s HIS 4 CO 0.30 -2.13 0.72 -0.80 -2.00 0.00 0.00 174.74 170.83 2k9x s ASN 5 N -4.84 6.26 -0.30 7.38 0.02 -1.26 -4.40 114.94 117.80 2k9x s ASN 5 Ca 0.70 -0.72 -0.13 0.00 -1.02 0.00 0.00 52.86 51.69 2k9x s ASN 5 Cb -0.04 -2.33 0.18 0.00 0.02 0.00 0.00 41.25 39.08 2k9x s ASN 5 CO 0.48 -0.99 1.08 -1.00 0.02 0.00 0.00 177.10 176.70 2k9x s HIS 6 N 3.03 -0.41 -0.31 2.20 3.76 -1.25 -4.84 115.29 117.47 2k9x s HIS 6 Ca 0.20 0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 55.22 2k9x s HIS 6 Cb -0.17 0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.62 2k9x s HIS 6 CO 0.14 -0.23 0.69 0.42 -0.85 0.00 0.00 174.74 174.91 2k9x s ILE 7 N 2.96 4.88 -0.42 0.60 1.01 -0.81 -4.27 121.20 125.16 2k9x s ILE 7 Ca 0.13 0.96 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 2k9x s ILE 7 Cb -0.05 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2k9x s ILE 7 CO -0.17 -0.19 1.02 -0.89 0.00 0.00 0.00 174.94 174.72 2k9x s THR 8 N 2.74 4.42 -0.23 2.92 2.01 0.12 -3.16 115.64 124.47 2k9x s THR 8 Ca 0.28 1.20 -0.04 0.00 0.31 0.00 0.00 61.69 63.44 2k9x s THR 8 Cb -0.15 -4.46 0.09 0.00 0.01 0.00 0.00 72.50 67.99 2k9x s THR 8 CO 0.12 -0.75 0.15 0.54 -0.69 0.00 0.00 174.62 173.99 2k9x s VAL 9 N 3.89 -0.16 0.32 3.82 0.11 -1.00 -0.04 120.40 127.34 2k9x s VAL 9 Ca 0.42 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2k9x s VAL 9 Cb -0.10 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2k9x s VAL 9 CO 0.24 -0.43 0.09 0.00 -3.33 0.00 0.00 175.10 171.67 2k9x s GLN 10 N 2.18 1.64 0.09 1.54 0.00 -1.19 0.39 119.66 124.31 2k9x s GLN 10 Ca 0.06 -1.92 0.06 0.00 -0.00 0.00 0.00 55.36 53.56 2k9x s GLN 10 Cb -0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 33.01 32.19 2k9x s GLN 10 CO -0.21 -0.28 -0.16 -0.06 0.00 0.00 0.00 175.29 174.58 2k9x s PHE 11 N -3.41 1.42 -0.14 9.60 0.08 -0.64 -3.24 117.98 121.64 2k9x s PHE 11 Ca 0.35 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.84 2k9x s PHE 11 Cb 0.07 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.80 2k9x s PHE 11 CO 0.15 0.12 0.33 0.00 -0.10 0.00 0.00 175.22 175.72 2k9x s ALA 12 N -1.50 -0.80 0.00 5.36 0.00 -1.04 -4.71 121.76 119.07 2k9x s ALA 12 Ca 0.03 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2k9x s ALA 12 Cb -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2k9x s ALA 12 CO 0.03 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2k9x n GLY 13 N 4.13 1.05 0.78 0.00 0.00 -1.26 -3.02 105.19 106.87 2k9x n GLY 13 Ca -0.23 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 5.24 0.06 -0.02 0.00 -1.26 -4.65 105.19 104.56 2k9x n GLY 14 Ca 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.84 -1.63 114.58 120.30 2k9x h GLU 16 Ca -0.31 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.08 2k9x h GLU 16 Cb 1.69 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.77 2k9x h GLU 16 CO 0.01 0.25 0.00 1.28 0.05 0.00 0.00 179.01 180.60 2k9x n LEU 17 N -4.32 0.00 -0.58 3.06 4.32 -1.26 0.08 117.00 118.30 2k9x n LEU 17 Ca -0.02 0.40 0.03 0.00 -0.02 0.00 0.00 56.01 56.40 2k9x n LEU 17 Cb 0.24 -0.40 0.10 0.00 -1.62 0.00 0.00 43.42 41.75 2k9x n LEU 17 CO 0.37 -0.17 0.52 0.18 -1.22 0.00 0.00 177.39 177.08 2k9x n LEU 18 N -1.40 1.60 0.15 2.23 4.77 -0.61 -4.45 117.00 119.29 2k9x n LEU 18 Ca 0.06 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2k9x n LEU 18 Cb 0.17 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2k9x n LEU 18 CO 0.15 0.31 0.00 0.33 -1.33 0.00 0.00 177.39 176.85 2k9x n PHE 19 N 0.14 -2.95 -2.23 -1.77 -0.00 -1.13 -3.63 117.46 105.90 2k9x n PHE 19 Ca 0.07 0.73 -0.00 0.00 -0.00 0.00 0.00 57.45 58.25 2k9x n PHE 19 Cb 0.31 1.59 0.01 0.00 -0.00 0.00 0.00 39.48 41.39 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 -3.32 -1.17 -3.03 3.13 0.00 -1.11 -4.57 120.51 110.44 2k9x n ALA 20 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 2k9x n ALA 20 Cb 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.15 -3.18 -2.74 0.00 4.01 0.11 -4.92 118.16 111.30 2k9x n LYS 21 Ca -0.03 0.54 -0.36 0.00 -0.51 0.00 0.00 58.31 57.95 2k9x n LYS 21 Cb 0.48 -5.23 -0.06 0.00 -0.51 0.00 0.00 35.03 29.71 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 -5.66 4.47 -0.01 1.97 -1.52 -1.24 -4.93 119.66 112.74 2k9x s GLN 22 Ca 0.26 1.34 -0.00 0.00 -1.95 0.00 0.00 55.36 55.00 2k9x s GLN 22 Cb -0.14 -2.68 -0.00 0.00 -0.22 0.00 0.00 33.01 29.97 2k9x s GLN 22 CO 0.32 0.17 0.10 1.79 -0.25 0.00 0.00 175.29 177.42 2k9x h THR 23 N 2.46 0.00 -4.15 -0.19 1.35 -1.91 -3.38 112.91 107.09 2k9x h THR 23 Ca -0.47 -0.12 -0.22 0.00 -0.55 0.00 0.00 66.41 65.05 2k9x h THR 23 Cb 1.19 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.47 2k9x h THR 23 CO 0.64 0.00 -0.66 -0.94 -0.25 0.00 0.00 175.52 174.31 2k9x s SER 24 N -3.24 0.69 0.04 5.36 1.04 -1.26 -1.63 113.70 114.70 2k9x s SER 24 Ca -0.00 -1.18 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 2k9x s SER 24 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2k9x s SER 24 CO 0.01 -0.65 -0.04 -0.76 0.98 0.00 0.00 173.24 172.78 2k9x s LEU 25 N -3.09 2.38 -0.12 2.42 1.02 0.16 -4.93 118.68 116.52 2k9x s LEU 25 Ca 0.23 -0.78 -0.01 0.00 0.02 0.00 0.00 54.13 53.58 2k9x s LEU 25 Cb 0.07 0.11 0.04 0.00 0.02 0.00 0.00 46.19 46.43 2k9x s LEU 25 CO 0.02 -0.45 -0.01 -1.10 0.02 0.00 0.00 176.35 174.83 2k9x s GLN 26 N -2.84 0.89 -0.15 1.70 1.11 -1.25 -2.36 119.66 116.76 2k9x s GLN 26 Ca -0.02 -0.17 -0.06 0.00 0.01 0.00 0.00 55.36 55.12 2k9x s GLN 26 Cb -0.00 -1.50 -0.04 0.00 -1.01 0.00 0.00 33.01 30.46 2k9x s GLN 26 CO -0.05 -0.40 0.07 -0.51 0.01 0.00 0.00 175.29 174.41 2k9x s LEU 27 N 1.85 3.89 0.03 2.90 1.43 -1.19 -4.81 118.68 122.79 2k9x s LEU 27 Ca 0.03 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.37 2k9x s LEU 27 Cb -0.14 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2k9x s LEU 27 CO -0.07 0.26 -0.20 -1.81 0.23 0.00 0.00 176.35 174.76 2k9x s ASP 28 N -0.15 2.42 0.06 2.29 1.11 -1.26 -1.93 116.67 119.20 2k9x s ASP 28 Ca 0.07 -0.49 -0.05 0.00 0.18 0.00 0.00 52.55 52.27 2k9x s ASP 28 Cb -0.12 -0.21 0.02 0.00 1.07 0.00 0.00 42.92 43.67 2k9x s ASP 28 CO 0.01 0.17 0.22 0.61 1.18 0.00 0.00 175.17 177.37 2k9x n GLY 29 N 1.99 1.35 0.37 0.21 0.00 -1.26 -5.08 105.19 102.76 2k9x n GLY 29 Ca -0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.15 0.15 -2.84 1.61 0.24 -1.26 -4.86 118.33 111.21 2k9x n VAL 30 Ca -0.01 -0.05 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 2k9x n VAL 30 Cb 0.14 -0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 31.52 2k9x n VAL 30 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2k9x n VAL 31 N -2.79 1.98 1.85 3.34 0.31 -1.26 -4.86 118.33 116.90 2k9x n VAL 31 Ca -0.05 -4.92 0.11 0.00 -0.01 0.00 0.00 64.34 59.48 2k9x n VAL 31 Cb 0.54 -0.88 0.66 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.17 0.92 -0.80 5.55 -0.04 -1.26 -4.88 135.00 134.31 2k9x n PRO 32 Ca 0.29 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.47 2k9x n PRO 32 Cb 0.56 -1.38 0.23 0.00 -0.04 0.00 0.00 33.50 32.87 2k9x n PRO 32 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k9x s THR 33 N -2.00 1.97 -0.37 0.52 2.01 -1.26 -4.06 115.64 112.45 2k9x s THR 33 Ca 0.33 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2k9x s THR 33 Cb 0.15 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.42 2k9x s THR 33 CO 0.26 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 2k9x n GLY 34 N 0.01 0.43 2.85 4.40 0.00 -1.26 -4.99 105.19 106.63 2k9x n GLY 34 Ca 0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 0.29 0.45 2.61 2.01 -1.26 -5.02 115.64 112.56 2k9x s THR 35 Ca 0.00 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.04 2k9x s THR 35 Cb 0.00 -0.35 0.05 0.00 0.01 0.00 0.00 72.50 72.21 2k9x s THR 35 CO 0.00 0.16 0.39 -0.46 -0.69 0.00 0.00 174.62 174.02 2k9x n ASN 36 N 3.96 2.31 -0.20 3.53 0.23 -1.26 0.77 115.26 124.60 2k9x n ASN 36 Ca -0.25 -2.49 -0.02 0.00 -0.53 0.00 0.00 54.58 51.28 2k9x n ASN 36 Cb 0.51 -0.08 0.08 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.43 -1.21 -4.53 6.46 -1.65 0.98 115.31 115.79 2k9x h LEU 37 Ca -0.27 0.04 0.10 0.00 -0.12 0.00 0.00 57.88 57.62 2k9x h LEU 37 Cb 1.03 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.86 2k9x h LEU 37 CO 0.42 0.28 0.57 -1.13 -0.62 0.00 0.00 178.44 177.96 2k9x h ASN 38 N 0.57 0.79 0.63 1.25 -0.73 -1.88 0.15 115.58 116.36 2k9x h ASN 38 Ca 0.27 0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.30 2k9x h ASN 38 Cb 0.20 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 2k9x h ASN 38 CO -0.19 0.47 -0.74 1.23 -0.37 0.00 0.00 177.43 177.83 2k9x h GLY 39 N 0.87 0.09 0.76 1.57 0.00 -1.52 -2.32 103.07 102.53 2k9x h GLY 39 Ca 0.41 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2k9x h GLY 39 CO -0.17 0.13 -0.03 1.41 0.00 0.00 0.00 176.54 177.87 2k9x h LEU 40 N 0.05 -0.08 0.42 3.11 3.38 0.11 -2.16 115.31 120.14 2k9x h LEU 40 Ca -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2k9x h LEU 40 Cb 1.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2k9x h LEU 40 CO 0.10 0.18 -0.20 -0.37 0.09 0.00 0.00 178.44 178.24 2k9x h VAL 41 N -0.33 0.55 -0.22 1.22 -1.51 -1.32 -2.54 116.25 112.09 2k9x h VAL 41 Ca -0.01 -0.39 0.07 0.00 -1.23 0.00 0.00 66.70 65.14 2k9x h VAL 41 Cb 0.29 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 2k9x h VAL 41 CO 0.02 0.07 0.43 -0.61 -1.23 0.00 0.00 177.57 176.24 2k9x h GLN 42 N -0.80 0.00 0.00 5.19 4.15 -1.48 0.21 115.11 122.38 2k9x h GLN 42 Ca -0.06 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 2k9x h GLN 42 Cb 0.54 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2k9x h GLN 42 CO 0.09 0.00 -1.18 1.25 -1.93 0.00 0.00 178.83 177.06 2k9x h LEU 43 N 0.00 0.00 0.04 -2.39 6.46 -1.13 -3.19 115.31 115.10 2k9x h LEU 43 Ca 0.11 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.53 2k9x h LEU 43 Cb 0.96 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 2k9x h LEU 43 CO -0.00 0.63 -1.88 0.00 -0.62 0.00 0.00 178.44 176.57 2k9x n LEU 44 N -3.02 2.28 0.10 2.25 -0.00 0.52 -3.93 117.00 115.20 2k9x n LEU 44 Ca -0.07 0.26 -0.10 0.00 -0.00 0.00 0.00 56.01 56.10 2k9x n LEU 44 Cb 0.84 -0.99 -0.07 0.00 -0.00 0.00 0.00 43.42 43.21 2k9x n LEU 44 CO 0.43 0.61 0.37 0.07 -0.00 0.00 0.00 177.39 178.87 2k9x h LYS 45 N -0.51 -0.31 -0.65 1.47 2.10 -1.14 -1.39 116.57 116.14 2k9x h LYS 45 Ca -0.46 0.02 0.19 0.00 -2.00 0.00 0.00 60.65 58.40 2k9x h LYS 45 Cb 1.68 0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 33.05 2k9x h LYS 45 CO -0.13 0.04 0.54 1.15 -2.00 0.00 0.00 179.45 179.05 2k9x h THR 46 N -0.92 0.50 0.07 0.07 2.02 -1.73 0.39 112.91 113.31 2k9x h THR 46 Ca -0.03 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.88 2k9x h THR 46 Cb 0.50 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2k9x h THR 46 CO 0.05 0.00 -1.29 0.78 0.37 0.00 0.00 175.52 175.44 2k9x h ASN 47 N 0.00 0.23 0.00 4.18 2.35 -1.67 -3.45 115.58 117.22 2k9x h ASN 47 Ca 0.31 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2k9x h ASN 47 Cb 1.39 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2k9x h ASN 47 CO -0.00 1.22 0.00 0.00 -1.65 0.00 0.00 177.43 177.00 2k9x n TYR 48 N -3.40 0.00 -3.93 1.19 4.19 0.73 -5.03 117.16 110.92 2k9x n TYR 48 Ca -0.09 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.82 2k9x n TYR 48 Cb 1.00 0.04 -0.00 0.00 0.49 0.00 0.00 39.34 40.87 2k9x n TYR 48 CO 0.00 0.00 0.00 1.55 0.91 0.00 0.00 176.86 179.32 2k9x n VAL 49 N -1.63 -1.55 -0.03 2.97 3.14 0.10 -4.79 118.33 116.55 2k9x n VAL 49 Ca 0.00 -0.39 0.09 0.00 -2.96 0.00 0.00 64.34 61.08 2k9x n VAL 49 Cb 0.00 -1.33 0.48 0.00 -1.06 0.00 0.00 33.84 31.93 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 -0.82 0.42 -7.07 1.45 2.10 -1.80 -3.42 116.57 107.42 2k9x h LYS 50 Ca -0.48 -0.03 -0.45 0.00 -2.00 0.00 0.00 60.65 57.70 2k9x h LYS 50 Cb 0.95 -0.09 0.07 0.00 -0.90 0.00 0.00 32.23 32.26 2k9x h LYS 50 CO 0.38 0.28 0.09 -2.00 -2.00 0.00 0.00 179.45 176.19 2k9x s GLU 51 N -5.40 2.16 -0.50 0.07 2.56 -1.26 -4.95 118.70 111.38 2k9x s GLU 51 Ca -0.08 -0.71 -0.35 0.00 0.00 0.00 0.00 54.97 53.84 2k9x s GLU 51 Cb 0.19 -2.34 -0.14 0.00 2.00 0.00 0.00 34.13 33.84 2k9x s GLU 51 CO 0.74 -1.10 2.30 0.54 -0.56 0.00 0.00 175.26 177.18 2k9x n ARG 52 N -2.67 0.73 0.05 4.30 5.12 -1.26 -4.80 116.66 118.13 2k9x n ARG 52 Ca 0.10 0.16 0.19 0.00 -1.93 0.00 0.00 57.85 56.37 2k9x n ARG 52 Cb 0.60 -2.29 0.71 0.00 -1.16 0.00 0.00 32.46 30.33 2k9x n ARG 52 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2k9x h PRO 53 N 12.79 0.00 -0.46 5.56 0.11 -1.93 0.10 132.00 148.18 2k9x h PRO 53 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2k9x h PRO 53 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2k9x h PRO 53 CO 1.11 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.65 2k9x n ASP 54 N -4.24 2.48 0.02 -2.05 9.92 -1.26 -3.96 116.55 117.45 2k9x n ASP 54 Ca 0.08 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.79 52.30 2k9x n ASP 54 Cb 0.54 -0.30 -0.11 0.00 -0.64 0.00 0.00 41.12 40.61 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 2.72 0.00 0.00 0.64 8.10 -1.15 -3.40 115.31 122.22 2k9x h LEU 55 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.82 2k9x h LEU 55 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.82 2k9x h LEU 55 CO 0.00 0.81 -1.27 0.00 -4.11 0.00 0.00 178.44 173.88 2k9x n LEU 56 N -3.04 1.88 -4.57 0.17 -0.00 -1.26 -4.90 117.00 105.29 2k9x n LEU 56 Ca -0.11 0.45 -0.37 0.00 -0.00 0.00 0.00 56.01 55.99 2k9x n LEU 56 Cb 0.94 -0.87 0.06 0.00 -0.00 0.00 0.00 43.42 43.55 2k9x n LEU 56 CO 0.44 0.03 0.38 1.33 -0.00 0.00 0.00 177.39 179.57 2k9x n VAL 57 N -4.45 2.95 0.31 1.47 0.24 -1.25 0.13 118.33 117.72 2k9x n VAL 57 Ca -0.26 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.34 61.44 2k9x n VAL 57 Cb 0.58 -0.99 -0.08 0.00 -1.47 0.00 0.00 33.84 31.88 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 0.06 -0.69 0.00 -1.34 3.58 0.01 -3.38 116.42 114.67 2k9x h ASP 58 Ca -0.47 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k9x h ASP 58 Cb 1.36 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2k9x h ASP 58 CO 0.48 -0.34 0.00 1.67 -2.88 0.00 0.00 179.24 178.17 2k9x n GLN 59 N -5.35 0.00 -0.09 0.28 -0.06 -1.26 -4.93 117.38 105.97 2k9x n GLN 59 Ca -0.12 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 54.91 2k9x n GLN 59 Cb 0.35 0.00 0.07 0.00 -4.06 0.00 0.00 30.24 26.60 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k9x n THR 60 N -1.58 0.23 -2.22 1.69 -2.24 -1.26 -4.87 114.28 104.02 2k9x n THR 60 Ca 0.00 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2k9x n THR 60 Cb 0.00 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.70 -0.08 0.14 3.38 0.00 -1.26 -4.78 105.19 103.28 2k9x n GLY 61 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.72 0.06 -4.94 1.61 7.27 -1.26 -5.00 117.38 112.40 2k9x n GLN 62 Ca -0.18 0.01 -0.32 0.00 0.07 0.00 0.00 57.00 56.58 2k9x n GLN 62 Cb 0.62 -0.98 -0.16 0.00 2.41 0.00 0.00 30.24 32.13 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 -2.05 2.40 0.72 1.69 -1.32 -1.26 -4.84 115.64 110.98 2k9x s THR 63 Ca -0.03 -0.89 -0.14 0.00 -1.21 0.00 0.00 61.69 59.42 2k9x s THR 63 Cb 0.01 -1.96 0.03 0.00 -1.51 0.00 0.00 72.50 69.07 2k9x s THR 63 CO 0.05 0.54 1.13 -0.76 -2.21 0.00 0.00 174.62 173.37 2k9x s LEU 64 N 0.47 3.26 0.73 9.08 1.43 -1.26 0.65 118.68 133.04 2k9x s LEU 64 Ca -0.13 2.06 -0.16 0.00 -1.03 0.00 0.00 54.13 54.86 2k9x s LEU 64 Cb -0.17 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.47 2k9x s LEU 64 CO 0.05 -1.97 0.63 -2.11 0.23 0.00 0.00 176.35 173.18 2k9x n ARG 65 N -2.85 0.32 -0.28 1.70 1.85 0.34 -4.35 116.66 113.39 2k9x n ARG 65 Ca 0.11 0.15 -0.01 0.00 -1.00 0.00 0.00 57.85 57.10 2k9x n ARG 65 Cb 0.52 -1.92 0.18 0.00 -1.05 0.00 0.00 32.46 30.19 2k9x n ARG 65 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2k9x h PRO 66 N -0.39 1.13 -1.07 2.89 0.13 -1.93 -2.70 132.00 130.05 2k9x h PRO 66 Ca -0.46 -0.08 0.28 0.00 -0.87 0.00 0.00 66.00 64.87 2k9x h PRO 66 Cb 1.34 -0.25 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 2k9x h PRO 66 CO 0.43 0.77 0.69 0.78 -0.23 0.00 0.00 178.00 180.44 2k9x h GLY 67 N 1.16 1.16 -5.12 1.56 0.00 -1.93 -3.38 103.07 96.52 2k9x h GLY 67 Ca 0.31 -0.19 -0.57 0.00 0.00 0.00 0.00 47.33 46.88 2k9x h GLY 67 CO -0.06 -0.15 0.30 -0.42 0.00 0.00 0.00 176.54 176.20 2k9x s ILE 68 N -5.45 4.93 -0.57 2.60 1.01 -1.02 0.96 121.20 123.66 2k9x s ILE 68 Ca -0.08 1.65 -0.19 0.00 0.00 0.00 0.00 60.65 62.02 2k9x s ILE 68 Cb 0.26 -4.14 0.09 0.00 0.01 0.00 0.00 42.46 38.68 2k9x s ILE 68 CO 0.80 0.11 0.68 -0.76 0.00 0.00 0.00 174.94 175.77 2k9x s LEU 69 N 1.58 5.28 0.06 2.97 1.43 0.15 -4.82 118.68 125.32 2k9x s LEU 69 Ca 0.40 -1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 2k9x s LEU 69 Cb -0.18 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2k9x s LEU 69 CO 0.16 -1.05 0.99 0.68 0.23 0.00 0.00 176.35 177.36 2k9x s VAL 70 N 2.67 4.62 -0.01 -1.59 -7.23 -1.26 -3.40 120.40 114.21 2k9x s VAL 70 Ca 0.12 2.02 0.01 0.00 -1.81 0.00 0.00 61.98 62.32 2k9x s VAL 70 Cb -0.23 -4.29 0.00 0.00 0.56 0.00 0.00 36.38 32.42 2k9x s VAL 70 CO 0.08 0.23 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.31 2k9x s LEU 71 N 0.50 1.91 -0.19 1.32 1.43 -1.14 -1.16 118.68 121.35 2k9x s LEU 71 Ca 0.50 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2k9x s LEU 71 Cb -0.23 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 45.82 2k9x s LEU 71 CO 0.29 0.03 -0.18 -0.69 0.23 0.00 0.00 176.35 176.03 2k9x s VAL 72 N 0.05 2.22 -1.07 -1.59 1.01 0.30 -2.35 120.40 118.97 2k9x s VAL 72 Ca -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2k9x s VAL 72 Cb -0.03 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2k9x s VAL 72 CO -0.00 0.51 0.91 0.59 0.00 0.00 0.00 175.10 177.11 2k9x n ASN 73 N 4.64 -3.80 -3.71 3.32 3.02 -1.18 -2.70 115.26 114.85 2k9x n ASN 73 Ca -0.20 -0.62 -0.28 0.00 -0.03 0.00 0.00 54.58 53.45 2k9x n ASN 73 Cb 0.50 -4.87 0.02 0.00 -0.61 0.00 0.00 39.78 34.82 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2k9x n SER 74 N -3.05 -4.67 -3.60 6.41 7.64 -1.26 -4.95 113.62 110.14 2k9x n SER 74 Ca -0.19 -0.64 -0.13 0.00 1.01 0.00 0.00 58.87 58.91 2k9x n SER 74 Cb 0.64 -3.76 -0.05 0.00 -1.01 0.00 0.00 64.21 60.02 2k9x n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9x n ASP 76 N 0.39 1.95 0.25 0.00 9.92 -1.26 0.11 116.55 127.91 2k9x n ASP 76 Ca -0.18 1.10 0.13 0.00 -0.53 0.00 0.00 54.79 55.30 2k9x n ASP 76 Cb 0.60 -1.13 0.60 0.00 -0.64 0.00 0.00 41.12 40.55 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 5.98 1.07 0.00 2.24 0.00 -1.42 -2.67 119.26 124.46 2k9x h ALA 77 Ca -0.47 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 2k9x h ALA 77 Cb 1.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2k9x h ALA 77 CO 0.89 0.18 -0.65 0.93 0.00 0.00 0.00 179.25 180.60 2k9x h GLU 78 N 0.00 0.00 -0.13 0.00 4.39 -1.89 0.55 114.58 117.50 2k9x h GLU 78 Ca -0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2k9x h GLU 78 Cb 0.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2k9x h GLU 78 CO 0.02 0.65 -0.69 0.28 -1.16 0.00 0.00 179.01 178.11 2k9x h VAL 79 N 0.00 1.31 -0.12 3.13 2.07 -1.85 -3.26 116.25 117.52 2k9x h VAL 79 Ca -0.01 -1.93 -0.15 0.00 0.82 0.00 0.00 66.70 65.43 2k9x h VAL 79 Cb 1.25 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2k9x h VAL 79 CO 0.08 0.60 -0.57 -0.37 0.02 0.00 0.00 177.57 177.34 2k9x h VAL 80 N 0.40 1.35 0.00 2.57 -1.51 -1.55 -3.46 116.25 114.05 2k9x h VAL 80 Ca -0.05 -1.87 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 2k9x h VAL 80 Cb 1.33 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 2k9x h VAL 80 CO 0.14 0.56 0.00 0.61 -1.23 0.00 0.00 177.57 177.66 2k9x n GLY 81 N 0.22 -0.16 0.69 5.19 0.00 -0.93 -4.91 105.19 105.29 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 -1.13 0.22 2.36 -0.02 0.00 0.19 -4.52 105.19 102.29 2k9x n GLY 82 Ca 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.38 -1.49 -1.23 1.61 2.81 -1.26 -4.84 117.12 112.33 2k9x n MET 83 Ca 0.00 0.91 -0.02 0.00 -1.81 0.00 0.00 57.70 56.79 2k9x n MET 83 Cb 0.15 -5.45 -0.03 0.00 -0.71 0.00 0.00 33.22 27.19 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 -1.56 -0.02 -4.61 7.83 2.03 -1.26 -3.47 116.55 115.48 2k9x n ASP 84 Ca -0.22 -1.99 -0.41 0.00 0.52 0.00 0.00 54.79 52.69 2k9x n ASP 84 Cb 0.67 0.00 -0.07 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 0.00 3.25 0.73 -0.67 5.04 -1.26 -4.72 117.35 119.72 2k9x s TYR 85 Ca 0.16 0.70 -0.14 0.00 -2.44 0.00 0.00 57.07 55.35 2k9x s TYR 85 Cb 0.19 -2.89 0.04 0.00 0.35 0.00 0.00 41.96 39.65 2k9x s TYR 85 CO -0.08 -0.38 1.14 0.14 -1.34 0.00 0.00 175.55 175.02 2k9x s VAL 86 N 2.52 2.88 0.46 3.14 -7.23 -1.26 -2.18 120.40 118.74 2k9x s VAL 86 Ca 0.25 0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2k9x s VAL 86 Cb -0.15 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 2k9x s VAL 86 CO 0.10 -0.29 0.73 -0.22 -0.31 0.00 0.00 175.10 175.11 2k9x s LEU 87 N -5.33 3.67 -0.23 1.32 2.96 0.23 -4.92 118.68 116.39 2k9x s LEU 87 Ca 0.68 0.71 0.10 0.00 -0.22 0.00 0.00 54.13 55.40 2k9x s LEU 87 Cb -0.22 -3.62 0.30 0.00 0.50 0.00 0.00 46.19 43.14 2k9x s LEU 87 CO 0.47 -0.59 1.36 0.59 -1.32 0.00 0.00 176.35 176.86 2k9x n ASN 88 N -2.17 -1.10 -2.61 3.68 3.02 -1.26 -4.56 115.26 110.26 2k9x n ASN 88 Ca -0.00 -2.14 -0.02 0.00 -0.03 0.00 0.00 54.58 52.39 2k9x n ASN 88 Cb 0.56 0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 40.20 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k9x n ASP 89 N -1.00 -5.38 0.00 6.41 2.03 -1.26 -4.82 116.55 112.52 2k9x n ASP 89 Ca -0.19 1.34 0.00 0.00 0.52 0.00 0.00 54.79 56.46 2k9x n ASP 89 Cb 0.83 -5.10 0.00 0.00 -0.72 0.00 0.00 41.12 36.13 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9x n GLY 90 N 0.97 1.87 3.71 0.27 0.00 -1.26 -4.64 105.19 106.11 2k9x n GLY 90 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 3.18 -0.03 1.61 2.15 -1.26 -4.69 116.67 115.63 2k9x s ASP 91 Ca 0.00 1.35 -0.01 0.00 0.43 0.00 0.00 52.55 54.32 2k9x s ASP 91 Cb 0.00 -2.02 0.03 0.00 -0.30 0.00 0.00 42.92 40.63 2k9x s ASP 91 CO 0.00 -2.81 0.04 -0.89 -0.17 0.00 0.00 175.17 171.35 2k9x s THR 92 N -2.97 -0.08 -0.04 1.71 2.01 -1.26 0.16 115.64 115.17 2k9x s THR 92 Ca 0.64 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 2k9x s THR 92 Cb -0.18 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.23 2k9x s THR 92 CO 0.57 0.13 0.12 0.54 -0.69 0.00 0.00 174.62 175.28 2k9x s VAL 93 N 1.56 0.00 0.01 3.82 0.11 0.94 -3.09 120.40 123.75 2k9x s VAL 93 Ca -0.03 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2k9x s VAL 93 Cb -0.13 -0.17 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2k9x s VAL 93 CO -0.03 -0.01 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.08 2k9x s GLU 94 N 0.04 0.30 -0.28 1.54 2.02 -0.99 -3.17 118.70 118.15 2k9x s GLU 94 Ca -0.00 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2k9x s GLU 94 Cb -0.01 -0.15 0.08 0.00 0.10 0.00 0.00 34.13 34.16 2k9x s GLU 94 CO 0.00 0.03 0.01 -0.06 0.02 0.00 0.00 175.26 175.26 2k9x s PHE 95 N -0.70 2.69 -0.25 1.61 0.08 -1.20 -2.90 117.98 117.31 2k9x s PHE 95 Ca -0.06 -2.15 0.02 0.00 0.12 0.00 0.00 56.93 54.86 2k9x s PHE 95 Cb -0.05 -2.02 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 2k9x s PHE 95 CO -0.00 -0.85 -0.11 0.42 -0.10 0.00 0.00 175.22 174.57 2k9x s ILE 96 N 1.29 2.32 -0.15 0.64 1.01 -1.22 -2.49 121.20 122.60 2k9x s ILE 96 Ca 0.02 -1.40 -0.29 0.00 0.00 0.00 0.00 60.65 58.98 2k9x s ILE 96 Cb -0.19 -2.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 2k9x s ILE 96 CO -0.11 0.10 1.02 -0.44 0.00 0.00 0.00 174.94 175.52 2k9x s SER 97 N 1.18 7.19 0.00 3.58 0.01 -1.17 0.30 113.70 124.80 2k9x s SER 97 Ca -0.05 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2k9x s SER 97 Cb -0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2k9x s SER 97 CO -0.06 -0.53 0.79 0.41 0.41 0.00 0.00 173.24 174.26 2k9x n THR 98 N 4.85 0.63 -0.56 1.44 -1.04 0.27 -4.65 114.28 115.22 2k9x n THR 98 Ca 0.10 -0.72 -0.30 0.00 -2.04 0.00 0.00 64.05 61.10 2k9x n THR 98 Cb 0.48 0.73 0.22 0.00 -1.82 0.00 0.00 70.33 69.93 2k9x n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k9x n LEU 99 N -0.31 -0.62 -3.71 -4.42 -0.00 -1.24 -5.01 117.00 101.68 2k9x n LEU 99 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 56.01 55.87 2k9x n LEU 99 Cb 0.25 -1.25 -0.07 0.00 -0.00 0.00 0.00 43.42 42.35 2k9x n LEU 99 CO 0.00 -3.08 0.09 -2.28 -0.00 0.00 0.00 177.39 172.12 2k9x s HIS 100 N -2.42 -0.20 0.00 1.47 2.46 -1.26 -5.09 115.29 110.25 2k9x s HIS 100 Ca 0.66 0.15 0.00 0.00 0.47 0.00 0.00 55.06 56.33 2k9x s HIS 100 Cb -0.23 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.38 2k9x s HIS 100 CO 0.64 -0.52 0.00 0.41 -2.47 0.00 0.00 174.74 172.80 2k9x n GLY 101 N 0.66 0.47 0.03 1.59 0.00 -1.26 -5.20 105.19 101.48 2k9x n GLY 101 Ca -0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.99 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93