#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 2.54 0.09 1.61 1.04 -1.26 -5.16 113.70 112.56 2cqw s SER 2 Ca 0.00 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 54.90 2cqw s SER 2 Cb 0.00 -0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.08 2cqw s SER 2 CO 0.00 -0.46 0.97 -0.44 0.98 0.00 0.00 173.24 174.29 2cqw s SER 3 N -3.45 -0.22 0.38 7.02 0.01 -1.26 -5.15 113.70 111.04 2cqw s SER 3 Ca 0.32 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 57.04 2cqw s SER 3 Cb 0.06 0.43 -0.11 0.00 0.21 0.00 0.00 66.02 66.61 2cqw s SER 3 CO 0.13 -0.77 1.40 0.61 0.41 0.00 0.00 173.24 175.02 2cqw n GLY 4 N -0.40 0.91 3.56 3.44 0.00 -1.26 -4.82 105.19 106.62 2cqw n GLY 4 Ca -0.07 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.28 4.77 1.16 1.61 0.15 -1.26 -4.93 113.70 114.92 2cqw s SER 5 Ca 0.56 -0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.69 2cqw s SER 5 Cb -0.50 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 61.53 2cqw s SER 5 CO 0.62 -3.06 1.03 -0.44 1.20 0.00 0.00 173.24 172.59 2cqw s SER 6 N 8.94 1.01 0.00 5.45 0.01 -1.26 -4.95 113.70 122.89 2cqw s SER 6 Ca 0.77 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2cqw s SER 6 Cb -0.09 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2cqw s SER 6 CO 0.03 -4.18 0.00 0.61 0.41 0.00 0.00 173.24 170.11 2cqw n GLY 7 N 0.71 1.21 2.71 3.44 0.00 -1.26 -5.11 105.19 106.89 2cqw n GLY 7 Ca 0.03 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2cqw n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cqw s ILE 8 N 0.00 1.85 0.91 -0.61 -4.36 -1.26 -5.11 121.20 112.62 2cqw s ILE 8 Ca 0.00 -3.50 -0.12 0.00 -0.26 0.00 0.00 60.65 56.76 2cqw s ILE 8 Cb 0.00 -2.24 0.13 0.00 1.25 0.00 0.00 42.46 41.61 2cqw s ILE 8 CO 0.00 -1.07 1.14 -2.16 0.24 0.00 0.00 174.94 173.09 2cqw s PRO 9 N -0.70 1.18 0.00 0.37 0.04 -1.26 -5.02 135.00 129.62 2cqw s PRO 9 Ca 0.26 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2cqw s PRO 9 Cb -0.05 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2cqw s PRO 9 CO -0.15 -2.17 0.36 0.41 0.04 0.00 0.00 177.00 175.49 2cqw n GLY 10 N -2.21 -2.75 3.81 0.56 0.00 -1.26 -4.71 105.19 98.63 2cqw n GLY 10 Ca 0.07 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 2cqw n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqw s PRO 11 N -0.73 2.20 0.42 1.61 0.04 -1.26 -5.04 135.00 132.25 2cqw s PRO 11 Ca 0.00 0.68 -0.16 0.00 0.04 0.00 0.00 61.00 61.56 2cqw s PRO 11 Cb 0.00 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2cqw s PRO 11 CO 0.00 -1.55 0.87 0.20 0.04 0.00 0.00 177.00 176.57 2cqw s GLY 12 N -3.89 2.21 -0.27 0.56 0.00 -1.26 -5.05 107.32 99.61 2cqw s GLY 12 Ca 0.60 0.14 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 2cqw s GLY 12 CO 0.54 0.39 0.16 -0.12 0.00 0.00 0.00 173.10 174.07 2cqw s PHE 13 N -2.28 3.19 0.06 1.90 2.19 -1.26 -5.07 117.98 116.70 2cqw s PHE 13 Ca 0.57 -0.00 0.02 0.00 0.33 0.00 0.00 56.93 57.85 2cqw s PHE 13 Cb -0.10 -2.34 -0.03 0.00 -1.31 0.00 0.00 43.02 39.24 2cqw s PHE 13 CO 0.22 -0.20 -0.07 0.99 1.83 0.00 0.00 175.22 177.99 2cqw s THR 14 N 1.71 0.55 0.04 0.12 2.01 -1.26 -5.16 115.64 113.64 2cqw s THR 14 Ca 0.07 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 2cqw s THR 14 Cb -0.16 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2cqw s THR 14 CO 0.09 -0.54 0.02 0.00 -0.69 0.00 0.00 174.62 173.50 2cqw s ALA 15 N -2.05 0.23 0.00 7.40 0.00 -1.26 -5.00 121.76 121.07 2cqw s ALA 15 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2cqw s ALA 15 Cb -0.05 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2cqw s ALA 15 CO -0.01 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2cqw n GLY 16 N 0.57 0.00 2.77 0.00 0.00 -1.26 -4.94 105.19 102.33 2cqw n GLY 16 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.74 2.76 0.22 4.61 0.00 -1.26 -5.08 121.76 122.27 2cqw s ALA 17 Ca 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 51.96 48.90 2cqw s ALA 17 Cb 0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.13 2cqw s ALA 17 CO 0.00 -2.05 0.04 0.00 0.00 0.00 0.00 175.76 173.75 2cqw n GLN 18 N 2.90 1.05 -1.33 0.00 10.64 -1.26 -5.01 117.38 124.37 2cqw n GLN 18 Ca 0.14 -1.71 -0.35 0.00 -1.83 0.00 0.00 57.00 53.25 2cqw n GLN 18 Cb 0.36 0.72 -0.14 0.00 -0.86 0.00 0.00 30.24 30.31 2cqw n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2cqw n GLY 19 N 1.39 -0.44 3.36 2.61 0.00 -1.26 -4.86 105.19 105.99 2cqw n GLY 19 Ca -0.06 0.94 -0.26 0.00 0.00 0.00 0.00 46.02 46.64 2cqw n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqw s SER 20 N 7.30 3.04 -0.39 1.61 0.15 -1.26 -4.84 113.70 119.31 2cqw s SER 20 Ca 1.21 -0.76 0.10 0.00 0.70 0.00 0.00 55.95 57.20 2cqw s SER 20 Cb -1.09 -0.19 0.44 0.00 -1.71 0.00 0.00 66.02 63.46 2cqw s SER 20 CO 0.44 0.11 1.06 0.00 1.20 0.00 0.00 173.24 176.06 2cqw h SER 22 N 2.69 0.00 -0.41 0.00 0.02 -1.93 -3.38 113.55 110.55 2cqw h SER 22 Ca 0.17 -0.69 -0.22 0.00 -0.84 0.00 0.00 61.79 60.20 2cqw h SER 22 Cb 1.04 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 2cqw h SER 22 CO 0.72 1.11 -0.08 0.00 -1.14 0.00 0.00 176.83 177.44 2cqw n LEU 23 N -4.56 4.35 0.00 5.07 -0.00 -1.26 -4.81 117.00 115.79 2cqw n LEU 23 Ca -0.17 -3.86 0.00 0.00 -0.00 0.00 0.00 56.01 51.99 2cqw n LEU 23 Cb 0.50 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 2cqw n LEU 23 CO 0.25 1.32 0.00 0.54 -0.00 0.00 0.00 177.39 179.50 2cqw n ARG 24 N -1.11 0.00 -3.61 1.47 1.74 -1.26 -5.00 116.66 108.89 2cqw n ARG 24 Ca 0.36 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.19 2cqw n ARG 24 Cb 1.04 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.56 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 -1.98 -1.33 3.63 0.00 0.00 0.86 -4.83 105.19 101.53 2cqw n GLY 26 Ca 0.01 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.89 -0.09 4.61 0.00 -1.22 -4.77 121.76 119.39 2cqw s ALA 27 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2cqw s ALA 27 Cb 0.00 0.90 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2cqw s ALA 27 CO 0.00 -0.88 -0.14 -0.65 0.00 0.00 0.00 175.76 174.08 2cqw s GLN 28 N -3.91 2.07 0.38 0.00 -0.21 -1.26 0.19 119.66 116.91 2cqw s GLN 28 Ca 0.12 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 55.02 2cqw s GLN 28 Cb -0.02 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.20 2cqw s GLN 28 CO 0.02 -0.03 0.09 0.34 -2.12 0.00 0.00 175.29 173.60 2cqw s ASP 29 N 0.87 2.73 -0.10 5.90 2.15 0.89 -4.95 116.67 124.16 2cqw s ASP 29 Ca -0.10 -1.55 -0.24 0.00 0.43 0.00 0.00 52.55 51.10 2cqw s ASP 29 Cb -0.15 0.26 -0.28 0.00 -0.30 0.00 0.00 42.92 42.44 2cqw s ASP 29 CO 0.01 -0.79 0.78 1.23 -0.17 0.00 0.00 175.17 176.22 2cqw h GLY 30 N 1.89 0.18 1.80 2.66 0.00 -2.00 -3.31 103.07 104.28 2cqw h GLY 30 Ca -0.38 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 2cqw h GLY 30 CO 0.64 0.41 -0.23 1.41 0.00 0.00 0.00 176.54 178.77 2cqw h LEU 31 N -0.65 0.24 0.00 3.11 3.38 -1.98 -3.47 115.31 115.94 2cqw h LEU 31 Ca -0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2cqw h LEU 31 Cb 1.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2cqw h LEU 31 CO 0.06 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.07 2cqw s SER 33 N -0.65 -0.33 0.00 0.00 0.15 -0.73 -0.08 113.70 112.06 2cqw s SER 33 Ca 0.00 0.64 0.23 0.00 0.70 0.00 0.00 55.95 57.52 2cqw s SER 33 Cb 0.00 0.61 0.38 0.00 -1.71 0.00 0.00 66.02 65.31 2cqw s SER 33 CO 0.00 -0.12 1.37 0.00 1.20 0.00 0.00 173.24 175.69 2cqw s HIS 35 N -1.57 3.03 -1.84 0.00 2.46 0.38 -0.10 115.29 117.66 2cqw s HIS 35 Ca 0.37 1.58 0.24 0.00 0.47 0.00 0.00 55.06 57.72 2cqw s HIS 35 Cb 0.22 -3.08 1.36 0.00 -0.13 0.00 0.00 32.58 30.95 2cqw s HIS 35 CO 0.31 -0.81 1.79 -0.35 -2.47 0.00 0.00 174.74 173.20 2cqw n PRO 36 N -0.85 0.63 0.00 2.88 -0.04 -1.26 -2.02 135.00 134.34 2cqw n PRO 36 Ca 0.09 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2cqw n PRO 36 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.08 0.00 0.27 0.52 -2.24 -1.26 -4.06 114.28 106.43 2cqw n THR 37 Ca 0.16 -0.34 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 2cqw n THR 37 Cb 0.11 1.33 0.69 0.00 -2.10 0.00 0.00 70.33 70.36 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 0.90 0.87 0.00 4.64 -1.78 1.31 113.55 119.50 2cqw h SER 39 Ca -0.00 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 2cqw h SER 39 Cb 0.51 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2cqw h SER 39 CO 0.00 0.84 -0.52 1.23 -0.87 0.00 0.00 176.83 177.51 2cqw h GLY 40 N 0.91 0.00 0.00 -0.77 0.00 -1.74 -3.35 103.07 98.12 2cqw h GLY 40 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2cqw h GLY 40 CO -0.01 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.89 2cqw h LEU 41 N 0.00 0.00 0.00 3.11 -0.00 -1.22 -3.50 115.31 113.70 2cqw h LEU 41 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2cqw h LEU 41 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2cqw h LEU 41 CO 0.07 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.26 2cqw n GLY 42 N 1.86 1.04 0.03 0.83 0.00 0.45 -5.03 105.19 104.36 2cqw n GLY 42 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.40 2.61 -2.24 -1.17 -5.05 114.28 107.02 2cqw n THR 43 Ca 0.00 -0.49 -0.44 0.00 -2.27 0.00 0.00 64.05 60.85 2cqw n THR 43 Cb 0.00 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.97 0.00 -0.21 0.00 5.08 -1.90 -2.25 114.58 114.34 2cqw h GLU 46 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2cqw h GLU 46 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2cqw h GLU 46 CO 0.55 0.15 0.00 -0.40 -1.00 0.00 0.00 179.01 178.31 2cqw n ASP 47 N -3.37 3.54 -0.04 1.42 5.68 -1.26 -4.64 116.55 117.89 2cqw n ASP 47 Ca -0.00 -2.99 -0.12 0.00 -0.50 0.00 0.00 54.79 51.17 2cqw n ASP 47 Cb 0.36 -0.51 -0.07 0.00 -1.14 0.00 0.00 41.12 39.76 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 1.44 0.23 -0.01 2.11 3.57 -1.74 -2.45 116.94 120.09 2cqw h PHE 48 Ca 0.00 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 2cqw h PHE 48 Cb 1.33 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 2cqw h PHE 48 CO 0.39 0.48 -0.68 -0.07 -2.23 0.00 0.00 178.31 176.20 2cqw h LEU 49 N -0.10 0.06 -1.64 0.59 3.38 -1.77 1.59 115.31 117.42 2cqw h LEU 49 Ca 0.03 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2cqw h LEU 49 Cb 0.40 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2cqw h LEU 49 CO 0.01 0.73 0.30 -0.78 0.09 0.00 0.00 178.44 178.78 2cqw h ASP 50 N 0.04 0.40 0.00 -0.43 1.82 -1.80 -0.12 116.42 116.33 2cqw h ASP 50 Ca -0.01 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2cqw h ASP 50 Cb 1.21 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2cqw h ASP 50 CO 0.09 0.27 -1.39 -1.22 -1.61 0.00 0.00 179.24 175.38 2cqw n TYR 51 N -4.48 0.00 -3.24 0.28 4.01 -0.93 -4.66 117.16 108.14 2cqw n TYR 51 Ca 0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 2cqw n TYR 51 Cb 0.17 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 38.90 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 0.70 5.32 -1.51 0.00 4.77 -0.10 -4.19 117.00 121.98 2cqw n LEU 53 Ca 0.27 -3.70 -0.00 0.00 -0.03 0.00 0.00 56.01 52.55 2cqw n LEU 53 Cb 0.46 -0.73 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2cqw n LEU 53 CO 0.32 1.17 0.26 1.21 -1.33 0.00 0.00 177.39 179.02 2cqw n GLU 54 N -1.12 0.13 -0.03 3.23 2.13 -1.26 -4.98 120.64 118.74 2cqw n GLU 54 Ca 0.45 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2cqw n GLU 54 Cb 1.33 0.09 -0.08 0.00 0.27 0.00 0.00 31.44 33.05 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 -0.15 0.33 -1.08 6.31 -5.35 -1.26 -5.03 119.36 113.13 2cqw n ILE 55 Ca -0.02 -0.33 -0.36 0.00 -0.27 0.00 0.00 62.75 61.77 2cqw n ILE 55 Cb 0.51 -0.22 0.07 0.00 -1.74 0.00 0.00 39.64 38.26 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 -2.12 -1.46 -4.77 7.28 4.77 -1.26 -4.95 117.00 114.49 2cqw n LEU 56 Ca -0.09 0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 56.04 2cqw n LEU 56 Cb 0.55 -1.07 0.18 0.00 -2.33 0.00 0.00 43.42 40.74 2cqw n LEU 56 CO 0.22 -4.08 0.74 -2.16 -1.33 0.00 0.00 177.39 170.78 2cqw s PRO 57 N -2.61 0.30 0.10 3.23 0.04 -1.26 -5.04 135.00 129.76 2cqw s PRO 57 Ca 0.57 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2cqw s PRO 57 Cb -0.29 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2cqw s PRO 57 CO 0.67 -2.70 0.00 0.45 0.04 0.00 0.00 177.00 175.45 2cqw n SER 58 N -4.06 0.71 0.00 6.66 2.88 -1.26 -5.01 113.62 113.54 2cqw n SER 58 Ca 0.11 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2cqw n SER 58 Cb 0.59 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2cqw n SER 58 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cqw n SER 59 N -3.37 0.00 0.00 -3.46 7.64 -1.26 -4.78 113.62 108.39 2cqw n SER 59 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2cqw n SER 59 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2cqw n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqw n GLY 60 N 0.00 2.25 3.08 0.23 0.00 -1.26 -4.91 105.19 104.58 2cqw n GLY 60 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 2cqw n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqw n SER 61 N 4.55 -6.75 -4.56 1.61 2.88 -1.26 -4.75 113.62 105.35 2cqw n SER 61 Ca 0.00 0.67 -0.40 0.00 -1.33 0.00 0.00 58.87 57.80 2cqw n SER 61 Cb 0.00 -2.28 -0.03 0.00 -0.75 0.00 0.00 64.21 61.15 2cqw n SER 61 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2cqw s MET 62 N -0.96 3.07 -0.17 -1.46 1.75 -1.26 -4.41 119.30 115.86 2cqw s MET 62 Ca -0.01 0.12 -0.07 0.00 -1.25 0.00 0.00 55.69 54.49 2cqw s MET 62 Cb 0.00 -4.22 0.03 0.00 2.84 0.00 0.00 34.83 33.48 2cqw s MET 62 CO 0.15 -2.25 0.13 -1.33 -0.65 0.00 0.00 175.02 171.07 2cqw n MET 63 N 9.17 -3.44 0.00 4.11 2.81 -1.26 -5.03 117.12 123.48 2cqw n MET 63 Ca 0.09 2.72 0.00 0.00 -1.81 0.00 0.00 57.70 58.70 2cqw n MET 63 Cb 0.50 -4.08 0.00 0.00 -0.71 0.00 0.00 33.22 28.93 2cqw n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cqw n GLY 64 N 1.60 1.52 3.58 3.03 0.00 -1.26 -5.12 105.19 108.54 2cqw n GLY 64 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2cqw n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cqw s GLY 65 N 0.00 -0.31 -0.20 -0.02 0.00 -1.26 -5.18 107.32 100.34 2cqw s GLY 65 Ca 0.00 1.53 -0.29 0.00 0.00 0.00 0.00 44.72 45.96 2cqw s GLY 65 CO 0.00 0.51 1.07 1.25 0.00 0.00 0.00 173.10 175.93 2cqw s LYS 66 N -2.51 0.49 -0.10 2.90 2.20 -1.26 -5.09 119.74 116.37 2cqw s LYS 66 Ca 0.09 0.19 -0.09 0.00 -0.36 0.00 0.00 55.97 55.80 2cqw s LYS 66 Cb -0.01 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2cqw s LYS 66 CO -0.05 -0.14 -0.18 -0.25 -0.36 0.00 0.00 175.35 174.37 2cqw n ASP 67 N 0.97 1.13 0.00 1.43 9.92 -1.26 -4.94 116.55 123.80 2cqw n ASP 67 Ca -0.09 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2cqw n ASP 67 Cb 0.58 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2cqw n ASP 67 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2cqw n PHE 68 N -3.66 0.00 -1.40 1.24 7.35 -1.26 -4.89 117.46 114.83 2cqw n PHE 68 Ca -0.07 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.22 2cqw n PHE 68 Cb 0.27 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.11 2cqw n PHE 68 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2cqw n VAL 69 N 0.00 1.49 -3.64 -2.13 0.24 -1.26 -4.99 118.33 108.05 2cqw n VAL 69 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 2cqw n VAL 69 Cb 0.00 -0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 31.86 2cqw n VAL 69 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2cqw s VAL 70 N -1.70 0.00 0.38 3.34 0.11 -1.26 -5.06 120.40 116.21 2cqw s VAL 70 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2cqw s VAL 70 Cb -0.52 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 2cqw s VAL 70 CO 0.59 0.00 0.00 1.67 -3.33 0.00 0.00 175.10 174.03 2cqw n GLN 71 N 3.58 0.00 -1.47 1.54 0.00 -1.26 -5.08 117.38 114.69 2cqw n GLN 71 Ca -0.17 0.00 -0.61 0.00 -0.00 0.00 0.00 57.00 56.22 2cqw n GLN 71 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.71 2cqw n GLN 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2cqw n HIS 72 N -3.44 1.49 -3.58 3.69 8.25 -1.26 -4.86 115.22 115.52 2cqw n HIS 72 Ca 0.00 0.80 -0.08 0.00 -0.26 0.00 0.00 57.72 58.18 2cqw n HIS 72 Cb 0.00 -2.32 -0.02 0.00 1.12 0.00 0.00 29.99 28.77 2cqw n HIS 72 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2cqw s LEU 73 N 5.00 -0.34 0.39 2.41 0.20 -1.26 -5.14 118.68 119.94 2cqw s LEU 73 Ca 1.12 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 55.80 2cqw s LEU 73 Cb -1.38 2.18 0.00 0.00 -0.43 0.00 0.00 46.19 46.56 2cqw s LEU 73 CO 0.69 -0.78 0.00 1.17 -0.29 0.00 0.00 176.35 177.13 2cqw n LYS 74 N -0.34 -3.70 -3.58 1.98 4.81 -1.26 -5.09 118.16 110.98 2cqw n LYS 74 Ca -0.09 2.73 -0.05 0.00 -0.87 0.00 0.00 58.31 60.03 2cqw n LYS 74 Cb 0.62 -3.06 -0.02 0.00 0.02 0.00 0.00 35.03 32.59 2cqw n LYS 74 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2cqw s TRP 75 N -2.79 -0.22 0.62 5.64 0.23 -1.26 -5.15 118.94 116.01 2cqw s TRP 75 Ca 0.00 0.09 0.00 0.00 -2.03 0.00 0.00 56.10 54.16 2cqw s TRP 75 Cb 0.00 0.55 0.00 0.00 0.03 0.00 0.00 33.47 34.05 2cqw s TRP 75 CO 0.00 -0.45 0.00 2.41 0.96 0.00 0.00 176.95 179.87 2cqw n THR 76 N -0.25 -1.66 -3.61 2.01 -1.04 -1.26 -5.08 114.28 103.38 2cqw n THR 76 Ca -0.06 1.14 -0.03 0.00 -2.04 0.00 0.00 64.05 63.07 2cqw n THR 76 Cb 0.61 -1.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.30 2cqw n THR 76 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2cqw s ASP 77 N -6.61 -0.08 1.02 8.00 1.01 -1.26 -5.18 116.67 113.57 2cqw s ASP 77 Ca 0.00 -0.00 -0.16 0.00 0.71 0.00 0.00 52.55 53.10 2cqw s ASP 77 Cb 0.00 0.09 0.20 0.00 1.01 0.00 0.00 42.92 44.23 2cqw s ASP 77 CO 0.00 -0.15 1.19 -2.16 0.21 0.00 0.00 175.17 174.26 2cqw s PRO 78 N -2.27 0.23 0.35 8.23 0.04 -1.26 -5.01 135.00 135.32 2cqw s PRO 78 Ca 0.11 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2cqw s PRO 78 Cb -0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2cqw s PRO 78 CO -0.04 -2.75 0.00 0.43 0.04 0.00 0.00 177.00 174.69 2cqw n SER 79 N -4.08 -2.98 0.00 6.66 7.64 -1.26 -5.14 113.62 114.46 2cqw n SER 79 Ca 0.11 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2cqw n SER 79 Cb 0.59 2.89 0.00 0.00 -1.01 0.00 0.00 64.21 66.69 2cqw n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqw n GLY 80 N -1.28 1.65 3.77 0.23 0.00 -1.26 -5.14 105.19 103.16 2cqw n GLY 80 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.39 0.02 0.37 1.61 0.04 -1.26 -5.10 135.00 130.30 2cqw s PRO 81 Ca 0.00 -0.12 -0.07 0.00 0.04 0.00 0.00 61.00 60.85 2cqw s PRO 81 Cb 0.00 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.82 2cqw s PRO 81 CO 0.00 -2.87 0.60 0.45 0.04 0.00 0.00 177.00 175.22 2cqw n SER 82 N -4.15 -1.72 -3.98 6.66 2.88 -1.26 -5.19 113.62 106.86 2cqw n SER 82 Ca 0.13 -2.80 -0.10 0.00 -1.33 0.00 0.00 58.87 54.76 2cqw n SER 82 Cb 0.59 3.04 -0.06 0.00 -0.75 0.00 0.00 64.21 67.03 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 -3.15 -0.01 0.00 -3.46 1.04 -1.26 -5.35 113.70 101.51 2cqw s SER 83 Ca 0.25 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2cqw s SER 83 Cb -0.02 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2cqw s SER 83 CO 0.18 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.89