#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqw s SER 2 N 0.00 4.23 -0.16 1.61 0.01 -1.26 -5.08 113.70 113.05 2cqw s SER 2 Ca 0.00 -1.34 -0.03 0.00 1.31 0.00 0.00 55.95 55.89 2cqw s SER 2 Cb 0.00 -1.40 0.05 0.00 0.21 0.00 0.00 66.02 64.88 2cqw s SER 2 CO 0.00 -0.22 0.05 -0.44 0.41 0.00 0.00 173.24 173.04 2cqw s SER 3 N 1.21 2.46 0.00 2.44 0.01 -1.26 -4.96 113.70 113.60 2cqw s SER 3 Ca -0.07 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2cqw s SER 3 Cb -0.20 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2cqw s SER 3 CO -0.06 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2cqw n GLY 4 N 5.15 -1.49 3.58 3.44 0.00 -1.26 -5.14 105.19 109.46 2cqw n GLY 4 Ca -0.08 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 2cqw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqw s SER 5 N -4.00 -0.24 -0.00 1.61 0.15 -1.26 -5.08 113.70 104.88 2cqw s SER 5 Ca 0.00 -0.56 -0.24 0.00 0.70 0.00 0.00 55.95 55.86 2cqw s SER 5 Cb 0.00 0.60 -0.13 0.00 -1.71 0.00 0.00 66.02 64.78 2cqw s SER 5 CO 0.00 -1.11 0.99 -1.28 1.20 0.00 0.00 173.24 173.04 2cqw h SER 6 N 2.17 -0.68 -4.50 5.45 0.87 -2.01 -3.47 113.55 111.39 2cqw h SER 6 Ca -0.27 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.21 2cqw h SER 6 Cb 1.26 0.18 -0.21 0.00 -0.44 0.00 0.00 62.40 63.19 2cqw h SER 6 CO 0.35 -0.29 -0.06 -0.83 -0.53 0.00 0.00 176.83 175.48 2cqw s GLY 7 N -2.61 -0.39 -0.37 5.77 0.00 -1.26 -5.12 107.32 103.34 2cqw s GLY 7 Ca -0.13 1.16 0.03 0.00 0.00 0.00 0.00 44.72 45.79 2cqw s GLY 7 CO 0.39 0.91 0.36 -0.26 0.00 0.00 0.00 173.10 174.49 2cqw s ILE 8 N -0.53 -0.24 0.22 0.90 -4.36 -1.26 -5.13 121.20 110.79 2cqw s ILE 8 Ca -0.07 -1.18 -0.30 0.00 -0.26 0.00 0.00 60.65 58.85 2cqw s ILE 8 Cb -0.03 -0.74 -0.08 0.00 1.25 0.00 0.00 42.46 42.85 2cqw s ILE 8 CO 0.04 -0.67 1.10 -2.16 0.24 0.00 0.00 174.94 173.50 2cqw s PRO 9 N 1.29 4.61 0.29 0.37 0.04 -1.26 -5.03 135.00 135.31 2cqw s PRO 9 Ca 0.18 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 2cqw s PRO 9 Cb -0.16 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.15 2cqw s PRO 9 CO -0.02 0.13 0.61 0.20 0.04 0.00 0.00 177.00 177.96 2cqw s GLY 10 N -0.42 0.38 0.07 0.56 0.00 -1.26 -5.06 107.32 101.59 2cqw s GLY 10 Ca 0.48 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 2cqw s GLY 10 CO 0.37 -0.42 1.21 -0.56 0.00 0.00 0.00 173.10 173.70 2cqw h PRO 11 N 2.11 0.66 -6.60 2.90 0.13 -2.10 -3.44 132.00 125.67 2cqw h PRO 11 Ca -0.25 -0.64 -0.52 0.00 -0.87 0.00 0.00 66.00 63.72 2cqw h PRO 11 Cb 1.25 0.17 0.05 0.00 0.13 0.00 0.00 31.00 32.59 2cqw h PRO 11 CO 0.32 1.25 0.98 0.20 -0.23 0.00 0.00 178.00 180.51 2cqw s GLY 12 N -4.17 1.38 0.27 1.56 0.00 -1.26 -4.97 107.32 100.12 2cqw s GLY 12 Ca -0.11 1.46 -0.16 0.00 0.00 0.00 0.00 44.72 45.91 2cqw s GLY 12 CO 0.89 2.83 0.59 -1.36 0.00 0.00 0.00 173.10 176.05 2cqw s PHE 13 N 1.50 0.12 0.05 1.90 0.08 -1.26 -5.14 117.98 115.23 2cqw s PHE 13 Ca 0.74 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 57.30 2cqw s PHE 13 Cb -0.46 0.43 -0.02 0.00 -0.57 0.00 0.00 43.02 42.40 2cqw s PHE 13 CO 0.32 -1.12 -0.12 0.99 -0.10 0.00 0.00 175.22 175.19 2cqw s THR 14 N -3.92 0.96 -0.48 0.64 2.01 -1.26 -5.10 115.64 108.49 2cqw s THR 14 Ca 0.17 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 61.08 2cqw s THR 14 Cb -0.03 -0.92 0.15 0.00 0.01 0.00 0.00 72.50 71.70 2cqw s THR 14 CO 0.08 -0.18 0.30 0.00 -0.69 0.00 0.00 174.62 174.14 2cqw s ALA 15 N -1.12 2.29 0.00 7.40 0.00 -1.26 -4.98 121.76 124.09 2cqw s ALA 15 Ca -0.02 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 49.16 2cqw s ALA 15 Cb -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2cqw s ALA 15 CO 0.01 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.13 2cqw n GLY 16 N 3.14 2.90 3.60 0.00 0.00 -1.26 -5.19 105.19 108.38 2cqw n GLY 16 Ca 0.15 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 2cqw n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw s ALA 17 N 0.00 -2.05 0.56 4.61 0.00 -1.26 -5.16 121.76 118.46 2cqw s ALA 17 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2cqw s ALA 17 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2cqw s ALA 17 CO 0.00 -0.49 0.00 1.04 0.00 0.00 0.00 175.76 176.31 2cqw n GLN 18 N 0.13 -3.28 0.00 0.00 1.13 -1.26 -5.03 117.38 109.07 2cqw n GLN 18 Ca -0.01 2.56 0.00 0.00 -1.94 0.00 0.00 57.00 57.61 2cqw n GLN 18 Cb 0.58 -3.88 0.00 0.00 0.11 0.00 0.00 30.24 27.06 2cqw n GLN 18 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2cqw n GLY 19 N -4.36 0.67 3.41 1.08 0.00 -1.26 -4.93 105.19 99.80 2cqw n GLY 19 Ca -0.07 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2cqw n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqw s SER 20 N 0.00 3.39 -0.39 1.61 0.01 -1.26 -4.74 113.70 112.32 2cqw s SER 20 Ca 0.00 -0.76 0.09 0.00 1.31 0.00 0.00 55.95 56.58 2cqw s SER 20 Cb 0.00 -0.25 0.44 0.00 0.21 0.00 0.00 66.02 66.42 2cqw s SER 20 CO 0.00 0.17 1.08 0.00 0.41 0.00 0.00 173.24 174.90 2cqw h SER 22 N 2.63 0.00 -1.05 0.00 0.02 -1.91 -3.37 113.55 109.87 2cqw h SER 22 Ca 0.20 -0.86 -0.63 0.00 -0.84 0.00 0.00 61.79 59.67 2cqw h SER 22 Cb 1.07 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.25 2cqw h SER 22 CO 0.73 1.12 0.07 0.00 -1.14 0.00 0.00 176.83 177.62 2cqw n LEU 23 N -4.56 6.31 0.00 5.07 -0.00 -1.26 -4.79 117.00 117.76 2cqw n LEU 23 Ca -0.16 -4.61 0.00 0.00 -0.00 0.00 0.00 56.01 51.24 2cqw n LEU 23 Cb 0.53 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2cqw n LEU 23 CO 0.30 1.83 0.00 0.54 -0.00 0.00 0.00 177.39 180.05 2cqw n ARG 24 N -0.76 0.00 -3.62 1.47 1.74 -1.26 -5.01 116.66 109.22 2cqw n ARG 24 Ca 0.52 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.36 2cqw n ARG 24 Cb 0.74 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.26 2cqw n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cqw n GLY 26 N -1.97 -1.81 3.45 0.00 0.00 0.28 -4.85 105.19 100.30 2cqw n GLY 26 Ca 0.01 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 2cqw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw s ALA 27 N 0.00 -1.12 -0.09 4.61 0.00 -1.20 -4.78 121.76 119.17 2cqw s ALA 27 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2cqw s ALA 27 Cb 0.00 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.95 2cqw s ALA 27 CO 0.00 -0.76 -0.15 -0.65 0.00 0.00 0.00 175.76 174.20 2cqw s GLN 28 N -3.82 2.08 0.42 0.00 -0.21 -1.26 0.18 119.66 117.04 2cqw s GLN 28 Ca 0.05 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 54.94 2cqw s GLN 28 Cb -0.00 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 2cqw s GLN 28 CO -0.08 -0.01 0.10 0.34 -2.12 0.00 0.00 175.29 173.52 2cqw s ASP 29 N 0.84 2.98 -0.11 5.90 2.15 0.24 -4.96 116.67 123.70 2cqw s ASP 29 Ca -0.10 -1.64 -0.23 0.00 0.43 0.00 0.00 52.55 51.01 2cqw s ASP 29 Cb -0.15 0.45 -0.27 0.00 -0.30 0.00 0.00 42.92 42.64 2cqw s ASP 29 CO 0.01 -0.89 0.69 1.23 -0.17 0.00 0.00 175.17 176.05 2cqw h GLY 30 N 1.75 0.18 0.98 2.66 0.00 -2.00 -3.36 103.07 103.27 2cqw h GLY 30 Ca -0.37 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 2cqw h GLY 30 CO 0.61 0.39 -0.15 1.41 0.00 0.00 0.00 176.54 178.80 2cqw h LEU 31 N -0.64 0.77 0.00 3.11 3.38 -1.95 -3.47 115.31 116.51 2cqw h LEU 31 Ca -0.16 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 2cqw h LEU 31 Cb 1.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2cqw h LEU 31 CO 0.04 0.99 0.14 0.00 0.09 0.00 0.00 178.44 179.70 2cqw s SER 33 N -3.06 0.07 -0.03 0.00 0.15 0.30 -0.59 113.70 110.54 2cqw s SER 33 Ca 0.20 -0.18 0.12 0.00 0.70 0.00 0.00 55.95 56.79 2cqw s SER 33 Cb -0.04 0.13 0.37 0.00 -1.71 0.00 0.00 66.02 64.77 2cqw s SER 33 CO 0.14 -0.19 1.30 0.00 1.20 0.00 0.00 173.24 175.69 2cqw s HIS 35 N -1.29 3.34 -1.92 0.00 2.46 0.19 0.10 115.29 118.17 2cqw s HIS 35 Ca 0.28 1.42 0.24 0.00 0.47 0.00 0.00 55.06 57.46 2cqw s HIS 35 Cb 0.16 -2.69 1.39 0.00 -0.13 0.00 0.00 32.58 31.31 2cqw s HIS 35 CO 0.16 -0.01 1.79 -0.35 -2.47 0.00 0.00 174.74 173.85 2cqw n PRO 36 N -0.50 0.69 0.00 2.88 -0.04 -1.26 -2.01 135.00 134.75 2cqw n PRO 36 Ca 0.05 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2cqw n PRO 36 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2cqw n PRO 36 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2cqw n THR 37 N -1.04 0.00 0.31 0.52 -2.24 -1.26 -4.15 114.28 106.42 2cqw n THR 37 Ca 0.17 -0.20 0.19 0.00 -2.27 0.00 0.00 64.05 61.94 2cqw n THR 37 Cb 0.10 1.17 1.01 0.00 -2.10 0.00 0.00 70.33 70.50 2cqw n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw h SER 39 N 0.00 1.00 1.06 0.00 0.02 -1.78 1.41 113.55 115.26 2cqw h SER 39 Ca -0.00 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2cqw h SER 39 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2cqw h SER 39 CO 0.00 0.92 -0.49 1.23 -1.14 0.00 0.00 176.83 177.35 2cqw h GLY 40 N 1.02 0.00 0.00 -3.77 0.00 -1.47 -3.36 103.07 95.49 2cqw h GLY 40 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2cqw h GLY 40 CO -0.01 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.91 2cqw h LEU 41 N 0.00 0.00 0.00 3.11 3.38 -1.04 -3.50 115.31 117.26 2cqw h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cqw h LEU 41 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2cqw h LEU 41 CO 0.06 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2cqw n GLY 42 N 1.83 1.00 0.10 0.83 0.00 0.48 -5.04 105.19 104.39 2cqw n GLY 42 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2cqw n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqw n THR 43 N 0.00 0.93 -1.64 2.61 -2.24 -1.18 -5.07 114.28 107.69 2cqw n THR 43 Ca 0.00 -1.05 -0.38 0.00 -2.27 0.00 0.00 64.05 60.35 2cqw n THR 43 Cb 0.00 0.37 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2cqw n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw h GLU 46 N 2.21 0.00 -0.27 0.00 5.08 -1.92 0.18 114.58 119.87 2cqw h GLU 46 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2cqw h GLU 46 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2cqw h GLU 46 CO 0.62 0.06 0.00 -0.40 -1.00 0.00 0.00 179.01 178.29 2cqw n ASP 47 N -3.86 3.82 -0.04 1.42 5.68 -1.26 -4.63 116.55 117.69 2cqw n ASP 47 Ca -0.03 -2.95 -0.11 0.00 -0.50 0.00 0.00 54.79 51.21 2cqw n ASP 47 Cb 0.16 -0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 39.56 2cqw n ASP 47 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2cqw h PHE 48 N 1.82 0.23 -0.01 2.11 3.57 -1.30 -2.26 116.94 121.11 2cqw h PHE 48 Ca 0.00 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 2cqw h PHE 48 Cb 1.40 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 2cqw h PHE 48 CO 0.48 0.26 -0.68 -0.07 -2.23 0.00 0.00 178.31 176.07 2cqw h LEU 49 N 0.13 0.06 -2.13 0.59 -0.00 -1.76 1.58 115.31 113.78 2cqw h LEU 49 Ca 0.05 -0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2cqw h LEU 49 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2cqw h LEU 49 CO -0.01 0.72 0.10 -0.78 -0.00 0.00 0.00 178.44 178.48 2cqw h ASP 50 N 0.03 0.00 0.00 -0.43 3.58 -1.75 -0.39 116.42 117.45 2cqw h ASP 50 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2cqw h ASP 50 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2cqw h ASP 50 CO 0.09 0.00 -1.17 -1.22 -2.88 0.00 0.00 179.24 174.06 2cqw n TYR 51 N -4.26 0.00 -3.31 0.28 4.01 -0.88 -4.76 117.16 108.24 2cqw n TYR 51 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2cqw n TYR 51 Cb 0.22 -0.13 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 2cqw n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cqw n LEU 53 N 1.32 6.29 -2.67 0.00 0.00 -0.20 -4.05 117.00 117.69 2cqw n LEU 53 Ca 0.25 -3.44 -0.05 0.00 0.00 0.00 0.00 56.01 52.77 2cqw n LEU 53 Cb 0.48 -0.78 0.07 0.00 0.00 0.00 0.00 43.42 43.18 2cqw n LEU 53 CO 0.26 0.95 0.62 1.21 0.00 0.00 0.00 177.39 180.43 2cqw n GLU 54 N -0.70 0.41 0.00 1.96 2.13 -1.26 -5.00 120.64 118.18 2cqw n GLU 54 Ca 0.50 -1.02 0.00 0.00 0.66 0.00 0.00 57.16 57.30 2cqw n GLU 54 Cb 1.51 -0.21 0.00 0.00 0.27 0.00 0.00 31.44 33.00 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2cqw n ILE 55 N -0.01 0.00 -1.04 6.31 -5.35 -1.26 -5.09 119.36 112.93 2cqw n ILE 55 Ca -0.11 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.00 2cqw n ILE 55 Cb 0.72 -0.65 0.04 0.00 -1.74 0.00 0.00 39.64 38.01 2cqw n ILE 55 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2cqw n LEU 56 N -2.40 -5.47 -4.81 7.28 4.77 -1.26 -4.89 117.00 110.22 2cqw n LEU 56 Ca 0.00 0.26 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 2cqw n LEU 56 Cb 0.24 -0.79 0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2cqw n LEU 56 CO 0.00 -5.77 0.71 -2.16 -1.33 0.00 0.00 177.39 168.84 2cqw s PRO 57 N -1.90 3.25 -0.53 3.23 0.04 -1.26 -5.02 135.00 132.81 2cqw s PRO 57 Ca 0.43 1.10 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 2cqw s PRO 57 Cb -0.23 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.42 2cqw s PRO 57 CO 0.80 -0.86 0.38 -1.12 0.04 0.00 0.00 177.00 176.23 2cqw s SER 58 N -3.14 5.60 -0.07 6.66 0.01 -1.26 -5.05 113.70 116.45 2cqw s SER 58 Ca 0.61 -2.23 -0.29 0.00 1.31 0.00 0.00 55.95 55.35 2cqw s SER 58 Cb -0.15 -1.95 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 2cqw s SER 58 CO 0.42 -0.58 2.08 -0.24 0.41 0.00 0.00 173.24 175.34 2cqw n SER 59 N 4.42 3.79 -1.65 2.44 2.88 -1.26 -4.51 113.62 119.73 2cqw n SER 59 Ca -0.01 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2cqw n SER 59 Cb 0.41 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 2cqw n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqw n GLY 60 N 5.06 -4.69 2.58 0.46 0.00 -1.26 -4.94 105.19 102.40 2cqw n GLY 60 Ca 0.24 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 2cqw n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqw s SER 61 N -3.54 2.84 -0.30 1.61 0.15 -1.26 -5.05 113.70 108.16 2cqw s SER 61 Ca 0.00 -3.00 -0.20 0.00 0.70 0.00 0.00 55.95 53.46 2cqw s SER 61 Cb 0.00 -0.81 0.19 0.00 -1.71 0.00 0.00 66.02 63.70 2cqw s SER 61 CO 0.00 -0.20 1.31 -0.32 1.20 0.00 0.00 173.24 175.23 2cqw s MET 62 N -0.03 0.01 0.71 5.44 1.75 -1.26 -5.16 119.30 120.77 2cqw s MET 62 Ca 0.26 0.02 -0.17 0.00 -1.25 0.00 0.00 55.69 54.55 2cqw s MET 62 Cb -0.08 0.01 -0.09 0.00 2.84 0.00 0.00 34.83 37.51 2cqw s MET 62 CO -0.12 -0.00 0.12 -0.12 -0.65 0.00 0.00 175.02 174.25 2cqw n MET 63 N 4.66 0.16 -3.49 4.11 1.56 -1.26 -4.95 117.12 117.90 2cqw n MET 63 Ca -0.07 0.08 -0.27 0.00 -0.27 0.00 0.00 57.70 57.17 2cqw n MET 63 Cb 0.56 -1.46 -0.09 0.00 2.15 0.00 0.00 33.22 34.38 2cqw n MET 63 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2cqw n GLY 64 N 2.20 3.49 0.15 -5.12 0.00 -1.26 -5.03 105.19 99.62 2cqw n GLY 64 Ca 0.07 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2cqw n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqw n GLY 65 N 1.76 0.93 2.72 -0.02 0.00 -1.26 -4.60 105.19 104.72 2cqw n GLY 65 Ca 0.25 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 2cqw n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cqw n LYS 66 N 0.00 0.46 0.16 1.61 4.81 -1.26 -5.04 118.16 118.90 2cqw n LYS 66 Ca 0.00 -1.48 -0.08 0.00 -0.87 0.00 0.00 58.31 55.88 2cqw n LYS 66 Cb 0.00 -0.96 -0.04 0.00 0.02 0.00 0.00 35.03 34.05 2cqw n LYS 66 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2cqw h ASP 67 N 4.22 -0.40 -0.62 3.14 1.82 -2.02 -3.47 116.42 119.08 2cqw h ASP 67 Ca -0.07 -0.02 0.23 0.00 -0.39 0.00 0.00 57.03 56.78 2cqw h ASP 67 Cb 1.11 0.10 -0.27 0.00 0.68 0.00 0.00 39.33 40.95 2cqw h ASP 67 CO 0.05 0.04 0.49 0.72 -1.61 0.00 0.00 179.24 178.94 2cqw s PHE 68 N -3.21 -0.22 -0.18 0.28 -0.71 -1.26 -5.15 117.98 107.53 2cqw s PHE 68 Ca -0.08 0.38 -0.04 0.00 -1.04 0.00 0.00 56.93 56.16 2cqw s PHE 68 Cb 0.01 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 2cqw s PHE 68 CO 0.24 -0.11 -0.03 0.08 -1.34 0.00 0.00 175.22 174.06 2cqw s VAL 69 N 1.98 3.76 0.31 -2.49 1.01 -1.26 -5.11 120.40 118.61 2cqw s VAL 69 Ca -0.01 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2cqw s VAL 69 Cb -0.02 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2cqw s VAL 69 CO -0.16 0.46 0.46 0.68 0.00 0.00 0.00 175.10 176.55 2cqw s VAL 70 N 0.78 4.73 0.08 2.92 -7.23 -1.26 -5.11 120.40 115.30 2cqw s VAL 70 Ca -0.01 -0.84 0.06 0.00 -1.81 0.00 0.00 61.98 59.38 2cqw s VAL 70 Cb -0.14 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 2cqw s VAL 70 CO 0.02 -0.32 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.30 2cqw s GLN 71 N -4.17 2.25 0.56 4.82 -0.21 -1.26 -5.13 119.66 116.53 2cqw s GLN 71 Ca 0.40 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.80 2cqw s GLN 71 Cb -0.09 -2.36 0.01 0.00 1.00 0.00 0.00 33.01 31.57 2cqw s GLN 71 CO 0.32 0.53 0.84 -1.01 -2.12 0.00 0.00 175.29 173.85 2cqw s HIS 72 N -1.16 3.16 0.34 0.91 3.76 -1.26 -5.11 115.29 115.93 2cqw s HIS 72 Ca 0.21 0.44 0.04 0.00 -0.15 0.00 0.00 55.06 55.59 2cqw s HIS 72 Cb -0.11 -2.69 -0.06 0.00 1.11 0.00 0.00 32.58 30.84 2cqw s HIS 72 CO 0.12 -0.78 0.06 -1.17 -0.85 0.00 0.00 174.74 172.13 2cqw s LEU 73 N -4.88 2.18 0.38 0.89 2.96 -1.26 -5.16 118.68 113.79 2cqw s LEU 73 Ca 0.54 -1.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.09 2cqw s LEU 73 Cb -0.10 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.21 2cqw s LEU 73 CO 0.42 -0.65 0.53 -0.54 -1.32 0.00 0.00 176.35 174.79 2cqw s LYS 74 N -3.86 2.98 0.18 1.98 1.02 -1.26 -5.11 119.74 115.67 2cqw s LYS 74 Ca 0.34 -1.09 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 2cqw s LYS 74 Cb 0.08 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2cqw s LYS 74 CO 0.15 -0.11 0.41 -0.46 -0.92 0.00 0.00 175.35 174.42 2cqw s TRP 75 N -2.28 3.48 -0.03 3.18 -0.11 -1.26 -5.10 118.94 116.82 2cqw s TRP 75 Ca 0.50 0.51 -0.02 0.00 1.22 0.00 0.00 56.10 58.30 2cqw s TRP 75 Cb -0.10 -1.98 0.01 0.00 -1.50 0.00 0.00 33.47 29.91 2cqw s TRP 75 CO 0.32 0.38 0.07 -0.08 -4.62 0.00 0.00 176.95 173.02 2cqw s THR 76 N -1.79 -0.01 0.20 5.86 -1.32 -1.26 -5.12 115.64 112.20 2cqw s THR 76 Ca 0.41 0.04 -0.33 0.00 -1.21 0.00 0.00 61.69 60.60 2cqw s THR 76 Cb -0.12 -0.12 -0.13 0.00 -1.51 0.00 0.00 72.50 70.63 2cqw s THR 76 CO 0.27 0.01 1.61 -0.90 -2.21 0.00 0.00 174.62 173.40 2cqw n ASP 77 N 3.25 3.43 -3.82 8.08 5.75 -1.26 -4.83 116.55 127.15 2cqw n ASP 77 Ca -0.15 1.09 -0.42 0.00 -0.01 0.00 0.00 54.79 55.31 2cqw n ASP 77 Cb 0.58 -1.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.15 2cqw n ASP 77 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2cqw n PRO 78 N 3.27 2.17 -3.22 0.11 -0.04 -1.26 -4.86 135.00 131.18 2cqw n PRO 78 Ca 0.15 -2.31 -0.46 0.00 -0.04 0.00 0.00 63.50 60.84 2cqw n PRO 78 Cb 0.32 -3.18 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 2cqw n PRO 78 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cqw s SER 79 N 4.37 6.60 0.00 3.54 0.01 -1.26 -4.88 113.70 122.08 2cqw s SER 79 Ca 0.54 -2.30 0.00 0.00 1.31 0.00 0.00 55.95 55.50 2cqw s SER 79 Cb 0.12 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2cqw s SER 79 CO 0.04 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2cqw n GLY 80 N 4.59 -0.04 3.70 3.44 0.00 -1.26 -4.94 105.19 110.68 2cqw n GLY 80 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2cqw n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqw s PRO 81 N -0.15 4.39 -0.59 1.61 0.04 -1.26 -4.88 135.00 134.15 2cqw s PRO 81 Ca 0.00 1.71 -0.40 0.00 0.04 0.00 0.00 61.00 62.35 2cqw s PRO 81 Cb 0.00 -3.48 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 2cqw s PRO 81 CO 0.00 -0.37 2.28 0.45 0.04 0.00 0.00 177.00 179.40 2cqw n SER 82 N 4.70 0.87 -4.25 6.66 2.88 -1.26 -4.89 113.62 118.32 2cqw n SER 82 Ca 0.10 0.51 -0.21 0.00 -1.33 0.00 0.00 58.87 57.94 2cqw n SER 82 Cb 0.46 -0.97 -0.12 0.00 -0.75 0.00 0.00 64.21 62.84 2cqw n SER 82 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqw s SER 83 N 6.98 2.23 0.00 -3.46 1.04 -1.26 -5.26 113.70 113.97 2cqw s SER 83 Ca 1.22 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2cqw s SER 83 Cb -1.33 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 64.68 2cqw s SER 83 CO 0.59 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.39