#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 -0.16 0.01 1.61 1.04 -1.26 -5.19 113.70 109.76 2cqw s SER 2 Ca 0.00 -0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 2cqw s SER 2 Cb 0.00 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2cqw s SER 2 CO 0.00 -0.54 0.51 -0.55 0.98 0.00 0.00 173.24 173.64 2cqw s SER 3 N -2.77 -0.44 0.00 7.02 0.15 -1.26 -5.06 113.70 111.36 2cqw s SER 3 Ca 0.11 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2cqw s SER 3 Cb 0.01 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2cqw s SER 3 CO -0.03 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2cqw n GLY 4 N 0.67 -0.46 2.59 9.45 0.00 -1.26 -5.09 105.19 111.09 2cqw n GLY 4 Ca -0.19 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2cqw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqw n SER 5 N 0.00 -3.88 -3.97 1.61 2.88 -1.26 -4.98 113.62 104.01 2cqw n SER 5 Ca 0.00 1.35 -0.31 0.00 -1.33 0.00 0.00 58.87 58.59 2cqw n SER 5 Cb 0.00 -4.10 -0.15 0.00 -0.75 0.00 0.00 64.21 59.21 2cqw n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqw s SER 6 N -0.44 4.12 0.00 -3.46 1.04 -1.26 -5.09 113.70 108.61 2cqw s SER 6 Ca -0.14 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 54.93 2cqw s SER 6 Cb 0.01 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.81 2cqw s SER 6 CO 0.37 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2cqw n GLY 7 N 4.57 0.84 3.27 7.32 0.00 -1.26 -5.10 105.19 114.84 2cqw n GLY 7 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 0.33 1.46 -1.21 -0.61 -4.36 -1.26 -5.05 121.20 110.49 2cqw s ILE 8 Ca 0.00 -1.87 -0.20 0.00 -0.26 0.00 0.00 60.65 58.33 2cqw s ILE 8 Cb 0.00 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 2cqw s ILE 8 CO 0.00 -0.46 1.89 -0.81 0.24 0.00 0.00 174.94 175.79 2cqw n PRO 9 N 0.27 2.36 0.00 0.37 -0.04 -1.26 -4.47 135.00 132.23 2cqw n PRO 9 Ca -0.13 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.59 2cqw n PRO 9 Cb 0.58 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 2cqw n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqw n GLY 10 N 5.31 0.37 3.79 0.55 0.00 -1.26 -5.10 105.19 108.85 2cqw n GLY 10 Ca 0.48 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.89 -0.10 1.61 0.04 -1.26 -5.06 135.00 134.12 2cqw s PRO 11 Ca 0.00 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 2cqw s PRO 11 Cb 0.00 -2.21 0.05 0.00 0.04 0.00 0.00 34.50 32.38 2cqw s PRO 11 CO 0.00 -0.36 0.20 0.20 0.04 0.00 0.00 177.00 177.08 2cqw s GLY 12 N -1.86 -0.02 0.06 0.56 0.00 -1.26 -5.07 107.32 99.73 2cqw s GLY 12 Ca 0.65 0.72 -0.09 0.00 0.00 0.00 0.00 44.72 46.00 2cqw s GLY 12 CO 0.22 1.67 0.19 -0.11 0.00 0.00 0.00 173.10 175.07 2cqw s PHE 13 N 2.14 0.11 0.56 1.90 -0.71 -1.26 -5.11 117.98 115.61 2cqw s PHE 13 Ca 0.00 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 2cqw s PHE 13 Cb -0.12 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 2cqw s PHE 13 CO -0.07 -0.49 0.00 2.41 -1.34 0.00 0.00 175.22 175.73 2cqw n THR 14 N 0.31 -4.69 -4.00 -4.49 -1.04 -1.26 -5.07 114.28 94.03 2cqw n THR 14 Ca -0.17 2.18 -0.10 0.00 -2.04 0.00 0.00 64.05 63.92 2cqw n THR 14 Cb 0.61 -3.13 -0.04 0.00 -1.82 0.00 0.00 70.33 65.94 2cqw n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cqw s ALA 15 N -4.09 -0.11 0.00 2.41 0.00 -1.26 -5.17 121.76 113.53 2cqw s ALA 15 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2cqw s ALA 15 Cb 0.00 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.17 2cqw s ALA 15 CO 0.00 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.31 2cqw n GLY 16 N -0.43 0.91 2.71 0.00 0.00 -1.26 -5.08 105.19 102.04 2cqw n GLY 16 Ca -0.02 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.95 0.31 -0.08 4.61 0.00 -1.26 -5.13 121.76 116.27 2cqw s ALA 17 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 2cqw s ALA 17 Cb 0.00 -0.60 0.13 0.00 0.00 0.00 0.00 23.12 22.66 2cqw s ALA 17 CO 0.00 -0.43 1.40 -0.65 0.00 0.00 0.00 175.76 176.08 2cqw s GLN 18 N 1.98 0.10 -0.32 0.00 -0.21 -1.26 -5.11 119.66 114.83 2cqw s GLN 18 Ca 0.03 -0.06 -0.01 0.00 0.02 0.00 0.00 55.36 55.34 2cqw s GLN 18 Cb -0.12 0.03 0.29 0.00 1.00 0.00 0.00 33.01 34.21 2cqw s GLN 18 CO -0.03 -0.04 1.28 0.41 -2.12 0.00 0.00 175.29 174.78 2cqw n GLY 19 N -0.60 -1.74 3.63 3.09 0.00 -1.26 -4.71 105.19 103.61 2cqw n GLY 19 Ca -0.06 0.99 -0.29 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.22 4.66 -0.35 1.61 0.15 -1.26 -4.79 113.70 113.50 2cqw s SER 20 Ca 0.25 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.67 2cqw s SER 20 Cb 0.23 -0.98 0.45 0.00 -1.71 0.00 0.00 66.02 64.01 2cqw s SER 20 CO -0.11 0.15 1.10 0.00 1.20 0.00 0.00 173.24 175.59 2cqw h SER 22 N 2.54 0.00 -0.63 0.00 4.64 -1.93 -3.35 113.55 114.82 2cqw h SER 22 Ca 0.18 -0.77 -0.37 0.00 -0.47 0.00 0.00 61.79 60.37 2cqw h SER 22 Cb 1.20 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 2cqw h SER 22 CO 0.66 0.98 0.12 0.00 -0.87 0.00 0.00 176.83 177.72 2cqw n LEU 23 N -4.61 5.28 0.00 5.97 -0.00 -1.26 -4.79 117.00 117.59 2cqw n LEU 23 Ca -0.11 -3.94 0.00 0.00 -0.00 0.00 0.00 56.01 51.96 2cqw n LEU 23 Cb 0.43 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 2cqw n LEU 23 CO 0.27 1.35 0.00 0.54 -0.00 0.00 0.00 177.39 179.55 2cqw n ARG 24 N -1.06 0.00 -3.62 1.47 1.74 -1.26 -5.00 116.66 108.93 2cqw n ARG 24 Ca 0.44 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.28 2cqw n ARG 24 Cb 1.12 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.63 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 -1.09 3.60 0.00 0.00 0.43 -4.88 105.19 101.28 2cqw n GLY 26 Ca 0.01 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.68 -0.09 4.61 0.00 -0.98 -4.87 121.76 119.74 2cqw s ALA 27 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2cqw s ALA 27 Cb 0.00 0.93 0.01 0.00 0.00 0.00 0.00 23.12 24.07 2cqw s ALA 27 CO 0.00 -0.86 -0.14 -0.65 0.00 0.00 0.00 175.76 174.10 2cqw s GLN 28 N -3.94 2.06 0.41 0.00 -0.21 -1.26 0.11 119.66 116.83 2cqw s GLN 28 Ca 0.15 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.05 2cqw s GLN 28 Cb -0.02 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 2cqw s GLN 28 CO 0.04 -0.03 0.10 0.34 -2.12 0.00 0.00 175.29 173.62 2cqw s ASP 29 N 0.88 2.93 -0.14 5.90 2.15 -0.55 -4.95 116.67 122.89 2cqw s ASP 29 Ca -0.09 -1.64 -0.14 0.00 0.43 0.00 0.00 52.55 51.11 2cqw s ASP 29 Cb -0.15 0.44 -0.12 0.00 -0.30 0.00 0.00 42.92 42.79 2cqw s ASP 29 CO 0.01 -0.88 0.22 1.23 -0.17 0.00 0.00 175.17 175.58 2cqw h GLY 30 N 1.77 0.00 0.90 2.66 0.00 -1.96 -3.37 103.07 103.07 2cqw h GLY 30 Ca -0.37 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.99 2cqw h GLY 30 CO 0.61 0.00 0.56 1.41 0.00 0.00 0.00 176.54 179.11 2cqw h LEU 31 N -1.00 0.93 0.00 3.11 4.07 -1.93 -3.46 115.31 117.02 2cqw h LEU 31 Ca -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2cqw h LEU 31 Cb 0.63 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2cqw h LEU 31 CO -0.04 0.64 0.00 0.00 -1.08 0.00 0.00 178.44 177.97 2cqw s SER 33 N 1.08 -0.76 -0.32 0.00 0.15 0.50 -1.49 113.70 112.86 2cqw s SER 33 Ca 0.00 1.41 0.10 0.00 0.70 0.00 0.00 55.95 58.15 2cqw s SER 33 Cb 0.00 1.40 0.68 0.00 -1.71 0.00 0.00 66.02 66.39 2cqw s SER 33 CO 0.00 -0.24 1.73 0.00 1.20 0.00 0.00 173.24 175.93 2cqw s HIS 35 N -3.06 3.41 -1.90 0.00 5.04 0.32 0.16 115.29 119.26 2cqw s HIS 35 Ca 0.53 0.13 0.24 0.00 -1.54 0.00 0.00 55.06 54.42 2cqw s HIS 35 Cb 0.43 -1.67 1.38 0.00 0.04 0.00 0.00 32.58 32.77 2cqw s HIS 35 CO 0.11 0.54 1.79 -0.35 -2.34 0.00 0.00 174.74 174.49 2cqw n PRO 36 N -0.13 0.68 -0.20 2.88 -0.04 -1.26 -2.08 135.00 134.84 2cqw n PRO 36 Ca -0.07 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 2cqw n PRO 36 Cb 0.53 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.05 0.61 0.29 0.52 -2.24 -1.26 -4.20 114.28 106.94 2cqw n THR 37 Ca 0.17 -0.80 0.18 0.00 -2.27 0.00 0.00 64.05 61.32 2cqw n THR 37 Cb 0.10 0.87 0.78 0.00 -2.10 0.00 0.00 70.33 69.98 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 0.60 0.32 0.00 0.02 -1.81 1.47 113.55 114.15 2cqw h SER 39 Ca -0.00 -0.49 -0.12 0.00 -0.84 0.00 0.00 61.79 60.34 2cqw h SER 39 Cb 0.42 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2cqw h SER 39 CO 0.00 0.97 -0.49 1.23 -1.14 0.00 0.00 176.83 177.40 2cqw h GLY 40 N 0.25 0.22 0.00 -3.77 0.00 -1.73 -3.33 103.07 94.71 2cqw h GLY 40 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2cqw h GLY 40 CO 0.06 0.21 -0.15 1.41 0.00 0.00 0.00 176.54 178.08 2cqw h LEU 41 N 0.16 0.00 0.00 3.11 3.38 -1.33 -3.50 115.31 117.14 2cqw h LEU 41 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2cqw h LEU 41 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2cqw h LEU 41 CO 0.07 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2cqw n GLY 42 N 1.77 1.23 0.59 0.83 0.00 0.50 -5.04 105.19 105.08 2cqw n GLY 42 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.06 1.76 -2.06 2.61 -2.24 -1.02 -5.05 114.28 108.22 2cqw n THR 43 Ca 0.00 -2.60 -0.38 0.00 -2.27 0.00 0.00 64.05 58.80 2cqw n THR 43 Cb 0.00 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.19 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 2.12 0.00 -0.22 0.00 9.09 -1.95 -1.17 114.58 122.46 2cqw h GLU 46 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 2cqw h GLU 46 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2cqw h GLU 46 CO 0.67 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 179.33 2cqw n ASP 47 N -2.85 3.36 -0.03 3.06 5.68 -1.26 -4.62 116.55 119.89 2cqw n ASP 47 Ca 0.00 -2.79 -0.13 0.00 -0.50 0.00 0.00 54.79 51.37 2cqw n ASP 47 Cb 0.22 -0.44 -0.08 0.00 -1.14 0.00 0.00 41.12 39.68 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 0.17 -0.01 2.11 3.57 -1.55 -2.59 116.94 120.09 2cqw h PHE 48 Ca 0.00 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.30 2cqw h PHE 48 Cb 1.19 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2cqw h PHE 48 CO 0.34 0.55 -0.70 -0.07 -2.23 0.00 0.00 178.31 176.20 2cqw h LEU 49 N -0.26 0.04 -1.30 0.59 -0.00 -1.76 1.62 115.31 114.24 2cqw h LEU 49 Ca 0.01 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 2cqw h LEU 49 Cb 0.52 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.12 2cqw h LEU 49 CO 0.01 0.73 0.50 0.44 -0.00 0.00 0.00 178.44 180.13 2cqw h ASP 50 N 0.02 0.76 0.00 -0.43 3.32 -1.80 0.21 116.42 118.50 2cqw h ASP 50 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2cqw h ASP 50 Cb 1.25 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2cqw h ASP 50 CO 0.09 0.50 -1.38 -1.22 -1.72 0.00 0.00 179.24 175.52 2cqw n TYR 51 N -4.47 0.00 -3.23 4.55 4.01 -0.98 -4.65 117.16 112.39 2cqw n TYR 51 Ca 0.11 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.61 2cqw n TYR 51 Cb 0.18 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.92 6.50 -1.63 0.00 4.77 0.69 -4.02 117.00 124.22 2cqw n LEU 53 Ca 0.25 -3.47 -0.00 0.00 -0.03 0.00 0.00 56.01 52.75 2cqw n LEU 53 Cb 0.51 -0.82 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2cqw n LEU 53 CO 0.26 1.03 0.29 1.21 -1.33 0.00 0.00 177.39 178.86 2cqw n GLU 54 N -0.99 0.15 -0.04 3.23 2.13 -1.26 -4.99 120.64 118.88 2cqw n GLU 54 Ca 0.55 -0.14 -0.04 0.00 0.66 0.00 0.00 57.16 58.19 2cqw n GLU 54 Cb 1.51 0.05 -0.06 0.00 0.27 0.00 0.00 31.44 33.22 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 -0.18 0.52 -0.84 6.31 -5.35 -1.26 -5.03 119.36 113.52 2cqw n ILE 55 Ca -0.02 -0.30 -0.33 0.00 -0.27 0.00 0.00 62.75 61.83 2cqw n ILE 55 Cb 0.54 -0.81 0.11 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.35 -0.35 -4.81 7.28 4.77 -1.26 -4.94 117.00 115.35 2cqw n LEU 56 Ca -0.13 0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.87 2cqw n LEU 56 Cb 0.73 -1.19 0.01 0.00 -2.33 0.00 0.00 43.42 40.64 2cqw n LEU 56 CO 0.15 -3.68 0.71 -2.16 -1.33 0.00 0.00 177.39 171.08 2cqw s PRO 57 N -3.51 3.39 -0.40 3.23 0.04 -1.26 -5.04 135.00 131.45 2cqw s PRO 57 Ca 0.57 1.16 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 2cqw s PRO 57 Cb -0.22 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.47 2cqw s PRO 57 CO 0.67 -0.75 0.91 -1.12 0.04 0.00 0.00 177.00 176.75 2cqw s SER 58 N -2.86 -0.83 0.10 6.66 0.01 -1.26 -5.16 113.70 110.36 2cqw s SER 58 Ca 0.63 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 57.12 2cqw s SER 58 Cb -0.15 1.08 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 2cqw s SER 58 CO 0.37 -0.05 -0.09 -0.55 0.41 0.00 0.00 173.24 173.33 2cqw s SER 59 N 1.26 1.36 0.00 2.44 0.15 -1.26 -5.12 113.70 112.53 2cqw s SER 59 Ca 0.23 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2cqw s SER 59 Cb 0.05 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2cqw s SER 59 CO -0.09 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2cqw n GLY 60 N 0.21 0.71 2.69 9.45 0.00 -1.26 -5.06 105.19 111.92 2cqw n GLY 60 Ca -0.14 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 2cqw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqw s SER 61 N -4.00 1.44 -0.16 1.61 0.01 -1.26 -5.13 113.70 106.22 2cqw s SER 61 Ca 0.00 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.18 2cqw s SER 61 Cb 0.00 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.19 2cqw s SER 61 CO 0.00 -0.28 -0.20 -0.04 0.41 0.00 0.00 173.24 173.12 2cqw s MET 62 N 2.20 2.91 0.40 12.44 1.00 -1.26 -5.12 119.30 131.86 2cqw s MET 62 Ca 0.04 -0.81 0.08 0.00 0.00 0.00 0.00 55.69 55.00 2cqw s MET 62 Cb -0.13 -2.44 -0.07 0.00 0.00 0.00 0.00 34.83 32.19 2cqw s MET 62 CO -0.06 -0.12 0.06 0.00 0.00 0.00 0.00 175.02 174.90 2cqw s MET 63 N 1.07 2.05 0.00 2.03 0.23 -1.26 -5.08 119.30 118.35 2cqw s MET 63 Ca -0.01 -1.96 0.00 0.00 -1.03 0.00 0.00 55.69 52.69 2cqw s MET 63 Cb -0.14 -1.80 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 2cqw s MET 63 CO -0.07 -0.03 0.53 0.41 -2.03 0.00 0.00 175.02 173.83 2cqw n GLY 64 N -1.04 -3.65 0.00 3.16 0.00 -1.26 -4.93 105.19 97.48 2cqw n GLY 64 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.99 2.95 2.87 -0.02 0.00 -1.26 -5.10 105.19 103.64 2cqw n GLY 65 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2cqw n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqw s LYS 66 N -0.66 2.12 -0.17 1.61 1.02 -1.26 -5.05 119.74 117.35 2cqw s LYS 66 Ca 0.00 -2.94 0.01 0.00 0.02 0.00 0.00 55.97 53.05 2cqw s LYS 66 Cb 0.00 -3.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2cqw s LYS 66 CO 0.00 -1.23 -0.14 0.34 -0.92 0.00 0.00 175.35 173.40 2cqw s ASP 67 N -0.86 3.00 -0.61 2.83 2.15 -1.26 -5.08 116.67 116.84 2cqw s ASP 67 Ca 0.22 -0.65 -0.27 0.00 0.43 0.00 0.00 52.55 52.28 2cqw s ASP 67 Cb -0.12 -1.24 0.01 0.00 -0.30 0.00 0.00 42.92 41.27 2cqw s ASP 67 CO -0.10 -0.08 1.46 -0.36 -0.17 0.00 0.00 175.17 175.92 2cqw s PHE 68 N 1.43 2.18 0.26 -5.34 0.08 -1.26 -4.99 117.98 110.34 2cqw s PHE 68 Ca 0.03 0.41 -0.10 0.00 0.12 0.00 0.00 56.93 57.38 2cqw s PHE 68 Cb -0.14 -4.39 -0.07 0.00 -0.57 0.00 0.00 43.02 37.84 2cqw s PHE 68 CO -0.10 -2.06 0.60 0.14 -0.10 0.00 0.00 175.22 173.69 2cqw s VAL 69 N 6.47 4.88 0.13 -0.44 -7.23 -1.26 -5.09 120.40 117.85 2cqw s VAL 69 Ca 0.51 0.55 0.11 0.00 -1.81 0.00 0.00 61.98 61.34 2cqw s VAL 69 Cb -0.11 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 2cqw s VAL 69 CO 0.22 -0.13 -0.26 0.68 -0.31 0.00 0.00 175.10 175.30 2cqw s VAL 70 N -1.89 2.20 -0.40 1.32 -7.23 -1.26 -5.11 120.40 108.03 2cqw s VAL 70 Ca 0.49 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2cqw s VAL 70 Cb -0.11 -1.95 0.12 0.00 0.56 0.00 0.00 36.38 35.00 2cqw s VAL 70 CO 0.21 0.06 0.18 -1.58 -0.31 0.00 0.00 175.10 173.67 2cqw s GLN 71 N -2.07 1.21 1.05 4.82 0.74 -1.26 -5.12 119.66 119.05 2cqw s GLN 71 Ca 0.13 -1.79 -0.12 0.00 0.05 0.00 0.00 55.36 53.63 2cqw s GLN 71 Cb -0.10 -2.43 0.22 0.00 1.10 0.00 0.00 33.01 31.80 2cqw s GLN 71 CO 0.06 -1.08 1.07 -1.58 -0.55 0.00 0.00 175.29 173.20 2cqw s HIS 72 N 0.70 1.67 -0.01 1.67 5.65 -1.26 -5.05 115.29 118.66 2cqw s HIS 72 Ca 0.15 1.27 0.04 0.00 0.25 0.00 0.00 55.06 56.77 2cqw s HIS 72 Cb -0.22 -3.17 -0.01 0.00 -1.18 0.00 0.00 32.58 28.00 2cqw s HIS 72 CO -0.07 -3.31 -0.13 -1.17 -0.65 0.00 0.00 174.74 169.40 2cqw s LEU 73 N -6.84 2.03 0.26 8.88 2.96 -1.26 -5.15 118.68 119.56 2cqw s LEU 73 Ca 0.67 -0.24 0.11 0.00 -0.22 0.00 0.00 54.13 54.44 2cqw s LEU 73 Cb -0.22 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 2cqw s LEU 73 CO 0.61 0.16 -0.18 -1.59 -1.32 0.00 0.00 176.35 174.03 2cqw s LYS 74 N -0.33 1.60 0.18 1.98 0.00 -1.26 -5.15 119.74 116.75 2cqw s LYS 74 Ca 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 55.97 54.34 2cqw s LYS 74 Cb -0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 37.83 36.13 2cqw s LYS 74 CO -0.00 0.29 -0.08 1.67 0.00 0.00 0.00 175.35 177.22 2cqw s TRP 75 N -2.63 1.42 0.30 1.78 -2.14 -1.26 -5.17 118.94 111.24 2cqw s TRP 75 Ca 0.28 -0.78 0.04 0.00 2.66 0.00 0.00 56.10 58.30 2cqw s TRP 75 Cb -0.04 -0.75 -0.03 0.00 -3.10 0.00 0.00 33.47 29.55 2cqw s TRP 75 CO 0.13 0.09 0.19 0.95 -2.66 0.00 0.00 176.95 175.64 2cqw s THR 76 N -3.30 0.20 0.01 0.66 -4.23 -1.26 -5.17 115.64 102.55 2cqw s THR 76 Ca 0.21 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2cqw s THR 76 Cb 0.03 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 2cqw s THR 76 CO 0.04 0.00 -0.03 1.51 -0.54 0.00 0.00 174.62 175.60 2cqw s ASP 77 N -3.36 0.25 1.11 3.99 -4.77 -1.26 -5.16 116.67 107.46 2cqw s ASP 77 Ca 0.37 -0.30 -0.16 0.00 -3.30 0.00 0.00 52.55 49.16 2cqw s ASP 77 Cb 0.04 0.05 0.23 0.00 -1.09 0.00 0.00 42.92 42.15 2cqw s ASP 77 CO 0.19 -0.16 1.06 -0.81 0.70 0.00 0.00 175.17 176.15 2cqw n PRO 78 N 2.20 -1.99 -3.99 2.11 -0.04 -1.26 -5.10 135.00 126.93 2cqw n PRO 78 Ca -0.19 -1.66 -0.09 0.00 -0.04 0.00 0.00 63.50 61.52 2cqw n PRO 78 Cb 0.57 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.66 -0.08 0.17 3.54 0.01 -1.26 -5.18 113.70 106.23 2cqw s SER 79 Ca 0.64 -0.92 0.06 0.00 1.31 0.00 0.00 55.95 57.04 2cqw s SER 79 Cb -0.04 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2cqw s SER 79 CO 0.47 -1.09 -0.13 -0.83 0.41 0.00 0.00 173.24 172.06 2cqw s GLY 80 N -3.01 1.23 0.34 3.44 0.00 -1.26 -5.16 107.32 102.89 2cqw s GLY 80 Ca 0.22 -1.51 -0.06 0.00 0.00 0.00 0.00 44.72 43.37 2cqw s GLY 80 CO 0.08 -1.60 0.37 -1.55 0.00 0.00 0.00 173.10 170.39 2cqw n PRO 81 N -0.09 -1.03 -3.81 2.90 -0.04 -1.26 -5.11 135.00 126.56 2cqw n PRO 81 Ca -0.11 -0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 62.68 2cqw n PRO 81 Cb 0.60 -0.46 -0.06 0.00 -0.04 0.00 0.00 33.50 33.53 2cqw n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqw s SER 82 N -2.45 0.01 0.63 3.54 0.15 -1.26 -5.17 113.70 109.15 2cqw s SER 82 Ca 0.22 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 2cqw s SER 82 Cb -0.01 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2cqw s SER 82 CO 0.16 -0.79 0.97 -0.55 1.20 0.00 0.00 173.24 174.23 2cqw s SER 83 N -2.86 5.55 0.00 5.45 0.15 -1.26 -5.38 113.70 115.34 2cqw s SER 83 Ca 0.06 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2cqw s SER 83 Cb 0.04 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2cqw s SER 83 CO -0.09 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.80