#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqw n SER 2 N 0.00 -7.99 0.21 1.61 2.88 -1.26 -5.05 113.62 104.02 2cqw n SER 2 Ca 0.00 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 2cqw n SER 2 Cb 0.00 -4.58 0.00 0.00 -0.75 0.00 0.00 64.21 58.88 2cqw n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cqw n SER 3 N -1.88 -3.02 0.00 -3.46 7.64 -1.26 -5.13 113.62 106.51 2cqw n SER 3 Ca 0.00 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2cqw n SER 3 Cb 0.27 2.88 0.00 0.00 -1.01 0.00 0.00 64.21 66.35 2cqw n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqw n GLY 4 N -0.62 2.88 2.72 0.23 0.00 -1.26 -4.98 105.19 104.16 2cqw n GLY 4 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 2cqw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqw n SER 5 N 6.71 -2.55 -3.38 1.61 7.64 -1.26 -5.06 113.62 117.33 2cqw n SER 5 Ca 0.00 1.27 0.02 0.00 1.01 0.00 0.00 58.87 61.16 2cqw n SER 5 Cb 0.00 -4.51 -0.04 0.00 -1.01 0.00 0.00 64.21 58.65 2cqw n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqw s SER 6 N -0.65 -0.39 -0.35 6.43 1.04 -1.26 -5.13 113.70 113.39 2cqw s SER 6 Ca -0.21 0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 2cqw s SER 6 Cb 0.01 1.40 0.19 0.00 0.10 0.00 0.00 66.02 67.72 2cqw s SER 6 CO 0.63 -0.08 0.88 -0.83 0.98 0.00 0.00 173.24 174.83 2cqw s GLY 7 N 2.12 -1.41 -0.45 7.32 0.00 -1.26 -5.10 107.32 108.54 2cqw s GLY 7 Ca -0.03 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.64 2cqw s GLY 7 CO -0.16 4.05 0.25 -0.42 0.00 0.00 0.00 173.10 176.82 2cqw s ILE 8 N 1.98 1.48 -0.01 0.90 1.01 -1.26 -4.96 121.20 120.35 2cqw s ILE 8 Ca 0.15 -2.66 -0.21 0.00 0.00 0.00 0.00 60.65 57.93 2cqw s ILE 8 Cb -0.00 -2.03 -0.22 0.00 0.01 0.00 0.00 42.46 40.22 2cqw s ILE 8 CO -0.13 -0.91 1.11 1.55 0.00 0.00 0.00 174.94 176.57 2cqw h PRO 9 N 6.63 0.34 -5.46 2.79 0.13 -2.05 -3.49 132.00 130.89 2cqw h PRO 9 Ca 0.00 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2cqw h PRO 9 Cb 0.92 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2cqw h PRO 9 CO 0.50 1.01 -0.96 0.41 -0.23 0.00 0.00 178.00 178.73 2cqw n GLY 10 N 0.94 -2.99 3.16 1.56 0.00 -1.26 -4.75 105.19 101.85 2cqw n GLY 10 Ca -0.09 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 2cqw n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqw n PRO 11 N 0.71 2.23 0.00 1.61 -0.04 -1.26 -4.27 135.00 133.98 2cqw n PRO 11 Ca 0.01 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 2cqw n PRO 11 Cb 0.17 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 2cqw n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqw n GLY 12 N 4.78 -1.86 3.78 0.55 0.00 -1.26 -5.16 105.19 106.02 2cqw n GLY 12 Ca 0.49 0.85 -0.36 0.00 0.00 0.00 0.00 46.02 47.01 2cqw n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cqw s PHE 13 N 0.00 3.51 -0.58 1.61 2.19 -1.26 -5.02 117.98 118.43 2cqw s PHE 13 Ca 0.00 0.52 0.05 0.00 0.33 0.00 0.00 56.93 57.84 2cqw s PHE 13 Cb 0.00 -2.16 0.33 0.00 -1.31 0.00 0.00 43.02 39.88 2cqw s PHE 13 CO 0.00 0.43 0.92 0.25 1.83 0.00 0.00 175.22 178.65 2cqw n THR 14 N 2.96 2.87 -1.48 0.12 -2.24 -1.26 -5.07 114.28 110.19 2cqw n THR 14 Ca -0.16 -5.51 0.18 0.00 -2.27 0.00 0.00 64.05 56.29 2cqw n THR 14 Cb 0.53 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 2cqw n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw n ALA 15 N -0.13 -3.88 -0.53 6.98 0.00 -1.26 -4.86 120.51 116.83 2cqw n ALA 15 Ca 0.31 0.95 -0.27 0.00 0.00 0.00 0.00 53.44 54.42 2cqw n ALA 15 Cb 0.40 -1.61 0.20 0.00 0.00 0.00 0.00 19.45 18.44 2cqw n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqw n GLY 16 N -4.39 -2.69 2.05 0.00 0.00 -1.26 -4.99 105.19 93.91 2cqw n GLY 16 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2cqw n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw n ALA 17 N -4.73 1.43 -3.80 4.61 0.00 -1.26 -5.16 120.51 111.59 2cqw n ALA 17 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2cqw n ALA 17 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2cqw n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqw n GLN 18 N -2.92 0.48 0.00 0.00 10.64 -1.26 -5.01 117.38 119.31 2cqw n GLN 18 Ca 0.00 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.49 2cqw n GLN 18 Cb 0.00 1.14 0.00 0.00 -0.86 0.00 0.00 30.24 30.52 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 0.24 0.63 3.11 2.61 0.00 -1.26 -4.78 105.19 105.72 2cqw n GLY 19 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.06 1.82 -1.18 1.61 0.01 -1.26 -4.70 113.70 108.95 2cqw s SER 20 Ca 0.00 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 56.89 2cqw s SER 20 Cb 0.00 -0.38 0.23 0.00 0.21 0.00 0.00 66.02 66.09 2cqw s SER 20 CO 0.00 0.15 1.55 0.00 0.41 0.00 0.00 173.24 175.35 2cqw h SER 22 N 6.02 0.66 0.00 0.00 0.87 -1.97 -3.40 113.55 115.73 2cqw h SER 22 Ca 0.28 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 2cqw h SER 22 Cb 0.70 -0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.40 2cqw h SER 22 CO 1.36 0.99 -0.17 0.00 -0.53 0.00 0.00 176.83 178.48 2cqw n LEU 23 N -4.03 -0.66 0.00 2.23 -0.00 -1.26 -5.03 117.00 108.24 2cqw n LEU 23 Ca -0.02 -1.45 0.00 0.00 -0.00 0.00 0.00 56.01 54.55 2cqw n LEU 23 Cb 0.52 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 2cqw n LEU 23 CO 0.46 1.17 0.00 0.54 -0.00 0.00 0.00 177.39 179.56 2cqw n ARG 24 N -0.20 0.00 -1.69 1.47 5.12 -1.26 -4.93 116.66 115.17 2cqw n ARG 24 Ca -0.16 0.22 -0.20 0.00 -1.93 0.00 0.00 57.85 55.78 2cqw n ARG 24 Cb 0.57 -0.70 -0.07 0.00 -1.16 0.00 0.00 32.46 31.10 2cqw n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cqw n GLY 26 N -0.45 -2.03 3.49 0.00 0.00 -0.55 -4.72 105.19 100.92 2cqw n GLY 26 Ca -0.20 0.98 -0.16 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.72 -0.12 4.61 0.00 -1.25 -4.83 121.76 118.45 2cqw s ALA 27 Ca 0.00 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.03 2cqw s ALA 27 Cb 0.00 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.42 2cqw s ALA 27 CO 0.00 -0.51 -0.22 -0.65 0.00 0.00 0.00 175.76 174.38 2cqw s GLN 28 N -2.06 2.94 0.43 0.00 -0.21 -1.26 0.16 119.66 119.66 2cqw s GLN 28 Ca -0.07 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.51 2cqw s GLN 28 Cb -0.00 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.66 2cqw s GLN 28 CO 0.02 0.05 0.11 0.34 -2.12 0.00 0.00 175.29 173.69 2cqw s ASP 29 N 0.66 3.02 0.02 5.90 -1.08 0.55 -4.98 116.67 120.77 2cqw s ASP 29 Ca -0.11 -1.67 0.12 0.00 -0.52 0.00 0.00 52.55 50.37 2cqw s ASP 29 Cb -0.16 0.50 -0.20 0.00 -1.46 0.00 0.00 42.92 41.60 2cqw s ASP 29 CO 0.02 -0.92 0.87 1.23 0.52 0.00 0.00 175.17 176.89 2cqw h GLY 30 N 1.71 0.00 0.77 2.66 0.00 -1.98 -3.36 103.07 102.87 2cqw h GLY 30 Ca -0.37 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.63 2cqw h GLY 30 CO 0.60 0.00 -1.70 1.41 0.00 0.00 0.00 176.54 176.84 2cqw h LEU 31 N 0.00 0.52 0.00 3.11 3.38 -1.93 -3.49 115.31 116.90 2cqw h LEU 31 Ca -0.19 -0.92 -0.11 0.00 0.09 0.00 0.00 57.88 56.76 2cqw h LEU 31 Cb 1.87 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2cqw h LEU 31 CO 0.09 1.76 0.06 0.00 0.09 0.00 0.00 178.44 180.43 2cqw s SER 33 N -2.51 -0.48 -0.01 0.00 0.15 0.50 -0.33 113.70 111.02 2cqw s SER 33 Ca 0.16 0.89 0.20 0.00 0.70 0.00 0.00 55.95 57.90 2cqw s SER 33 Cb -0.02 0.86 0.58 0.00 -1.71 0.00 0.00 66.02 65.73 2cqw s SER 33 CO 0.11 -0.17 1.49 0.00 1.20 0.00 0.00 173.24 175.87 2cqw s HIS 35 N -1.20 3.46 -1.45 0.00 5.04 -0.58 -1.49 115.29 119.08 2cqw s HIS 35 Ca 0.44 1.41 0.23 0.00 -1.54 0.00 0.00 55.06 55.59 2cqw s HIS 35 Cb 0.23 -2.67 1.15 0.00 0.04 0.00 0.00 32.58 31.34 2cqw s HIS 35 CO 0.29 0.12 1.74 -0.35 -2.34 0.00 0.00 174.74 174.20 2cqw n PRO 36 N -0.05 0.33 0.00 2.88 -0.04 -1.26 -2.11 135.00 134.75 2cqw n PRO 36 Ca 0.03 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2cqw n PRO 36 Cb 0.52 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.28 0.00 0.32 0.52 -2.24 -1.26 -3.82 114.28 106.52 2cqw n THR 37 Ca 0.11 -0.20 0.16 0.00 -2.27 0.00 0.00 64.05 61.84 2cqw n THR 37 Cb 0.18 0.74 0.68 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.97 0.00 0.87 -1.79 1.45 113.55 115.65 2cqw h SER 39 Ca 0.00 -0.31 -0.14 0.00 -1.23 0.00 0.00 61.79 60.11 2cqw h SER 39 Cb 0.37 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2cqw h SER 39 CO 0.00 0.77 -0.65 1.23 -0.53 0.00 0.00 176.83 177.65 2cqw h GLY 40 N 0.41 0.00 0.00 5.77 0.00 -1.71 -3.35 103.07 104.19 2cqw h GLY 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2cqw h GLY 40 CO 0.02 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.90 2cqw h LEU 41 N 0.00 0.00 0.00 3.11 3.38 -1.24 -3.50 115.31 117.06 2cqw h LEU 41 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cqw h LEU 41 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2cqw h LEU 41 CO 0.08 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2cqw n GLY 42 N 1.84 1.00 0.18 0.83 0.00 0.49 -5.04 105.19 104.49 2cqw n GLY 42 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 1.37 -1.90 2.61 -2.24 -1.08 -5.06 114.28 107.98 2cqw n THR 43 Ca 0.00 -1.64 -0.37 0.00 -2.27 0.00 0.00 64.05 59.77 2cqw n THR 43 Cb 0.00 -0.03 0.04 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.30 0.00 -0.24 0.00 4.81 -1.94 -3.17 114.58 113.73 2cqw h GLU 46 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2cqw h GLU 46 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2cqw h GLU 46 CO 0.61 0.25 0.00 -0.40 -0.73 0.00 0.00 179.01 178.74 2cqw n ASP 47 N -3.14 2.95 -0.03 1.04 5.68 -1.26 -4.59 116.55 117.20 2cqw n ASP 47 Ca 0.02 -2.31 -0.12 0.00 -0.50 0.00 0.00 54.79 51.88 2cqw n ASP 47 Cb 0.64 -0.28 -0.08 0.00 -1.14 0.00 0.00 41.12 40.27 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 1.48 0.19 -0.05 2.11 3.57 -1.90 -1.30 116.94 121.02 2cqw h PHE 48 Ca 0.00 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.27 2cqw h PHE 48 Cb 0.87 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2cqw h PHE 48 CO 0.24 0.50 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.99 2cqw h LEU 49 N -0.18 0.41 -1.75 0.59 3.38 -1.78 1.53 115.31 117.50 2cqw h LEU 49 Ca 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2cqw h LEU 49 Cb 0.45 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2cqw h LEU 49 CO 0.01 1.02 -0.09 -0.78 0.09 0.00 0.00 178.44 178.69 2cqw h ASP 50 N 0.22 0.04 0.00 -0.43 3.58 -1.79 0.14 116.42 118.18 2cqw h ASP 50 Ca -0.03 -0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.08 2cqw h ASP 50 Cb 1.33 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.30 2cqw h ASP 50 CO 0.12 0.14 -2.33 -1.22 -2.88 0.00 0.00 179.24 173.08 2cqw n TYR 51 N -4.41 0.00 -3.38 0.28 4.02 -0.50 -4.64 117.16 108.53 2cqw n TYR 51 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2cqw n TYR 51 Cb 0.18 -0.94 -0.08 0.00 -0.02 0.00 0.00 39.34 38.48 2cqw n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cqw n LEU 53 N 1.18 6.57 -1.69 0.00 4.77 0.46 -4.22 117.00 124.07 2cqw n LEU 53 Ca 0.26 -3.82 -0.01 0.00 -0.03 0.00 0.00 56.01 52.41 2cqw n LEU 53 Cb 0.45 -0.83 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2cqw n LEU 53 CO 0.31 1.21 0.34 -0.62 -1.33 0.00 0.00 177.39 177.30 2cqw n GLU 54 N -1.08 0.41 -0.04 3.23 -0.58 -1.26 -4.97 120.64 116.35 2cqw n GLU 54 Ca 0.57 -0.44 -0.04 0.00 -0.42 0.00 0.00 57.16 56.82 2cqw n GLU 54 Cb 1.34 0.23 -0.06 0.00 -0.57 0.00 0.00 31.44 32.38 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2cqw n ILE 55 N -0.47 0.56 -1.13 -3.67 -5.35 -1.26 -5.03 119.36 103.01 2cqw n ILE 55 Ca -0.08 -0.33 -0.36 0.00 -0.27 0.00 0.00 62.75 61.71 2cqw n ILE 55 Cb 0.60 -0.79 0.07 0.00 -1.74 0.00 0.00 39.64 37.78 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 -2.36 -0.59 -4.58 7.28 4.77 -1.26 -4.76 117.00 115.51 2cqw n LEU 56 Ca -0.14 0.49 -0.36 0.00 -0.03 0.00 0.00 56.01 55.98 2cqw n LEU 56 Cb 0.76 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2cqw n LEU 56 CO 0.17 -3.71 1.72 -2.16 -1.33 0.00 0.00 177.39 172.07 2cqw s PRO 57 N -2.70 3.24 -0.86 3.23 0.04 -1.26 -4.90 135.00 131.79 2cqw s PRO 57 Ca 0.60 -1.52 -0.23 0.00 0.04 0.00 0.00 61.00 59.88 2cqw s PRO 57 Cb -0.31 -5.38 0.06 0.00 0.04 0.00 0.00 34.50 28.91 2cqw s PRO 57 CO 0.64 -3.09 1.26 -1.54 0.04 0.00 0.00 177.00 174.31 2cqw s SER 58 N 5.43 6.36 -0.07 6.66 1.04 -1.26 -4.73 113.70 127.13 2cqw s SER 58 Ca 0.61 -1.16 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 2cqw s SER 58 Cb 0.01 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2cqw s SER 58 CO 0.09 -1.53 -0.19 -1.20 0.98 0.00 0.00 173.24 171.40 2cqw n SER 59 N 8.45 1.40 0.00 7.02 7.64 -1.26 -5.13 113.62 131.74 2cqw n SER 59 Ca 0.16 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2cqw n SER 59 Cb 0.49 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 2.21 -0.62 2.97 0.23 0.00 -1.26 -5.14 105.19 103.58 2cqw n GLY 60 Ca -0.08 0.61 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 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 2.00 1.33 -0.74 1.61 0.15 -1.26 -5.09 113.70 111.70 2cqw s SER 61 Ca 0.00 -0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.40 2cqw s SER 61 Cb 0.00 -0.55 0.19 0.00 -1.71 0.00 0.00 66.02 63.95 2cqw s SER 61 CO 0.00 0.02 0.60 -0.04 1.20 0.00 0.00 173.24 175.01 2cqw s MET 62 N 0.60 2.95 0.36 5.44 1.00 -1.26 -5.07 119.30 123.32 2cqw s MET 62 Ca -0.10 -2.76 -0.27 0.00 0.00 0.00 0.00 55.69 52.56 2cqw s MET 62 Cb -0.13 -3.91 -0.09 0.00 0.00 0.00 0.00 34.83 30.70 2cqw s MET 62 CO 0.02 -1.22 1.15 1.41 0.00 0.00 0.00 175.02 176.38 2cqw s MET 63 N -0.44 4.26 0.13 2.03 1.75 -1.26 -5.05 119.30 120.72 2cqw s MET 63 Ca 0.20 1.83 0.11 0.00 -1.25 0.00 0.00 55.69 56.58 2cqw s MET 63 Cb -0.15 -2.84 -0.04 0.00 2.84 0.00 0.00 34.83 34.64 2cqw s MET 63 CO -0.07 -0.14 -0.27 0.20 -0.65 0.00 0.00 175.02 174.09 2cqw s GLY 64 N -1.05 1.58 -0.02 2.11 0.00 -1.26 -5.14 107.32 103.54 2cqw s GLY 64 Ca 0.53 -1.47 -0.10 0.00 0.00 0.00 0.00 44.72 43.68 2cqw s GLY 64 CO 0.39 -1.45 0.21 -0.32 0.00 0.00 0.00 173.10 171.93 2cqw s GLY 65 N -2.07 -0.05 0.06 0.20 0.00 -1.26 -5.17 107.32 99.03 2cqw s GLY 65 Ca 0.14 0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.96 2cqw s GLY 65 CO 0.06 0.00 0.10 1.25 0.00 0.00 0.00 173.10 174.52 2cqw s LYS 66 N -1.08 0.69 0.12 2.90 2.20 -1.26 -5.17 119.74 118.14 2cqw s LYS 66 Ca -0.12 -0.94 0.08 0.00 -0.36 0.00 0.00 55.97 54.63 2cqw s LYS 66 Cb -0.06 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2cqw s LYS 66 CO 0.02 -0.19 -0.20 0.34 -0.36 0.00 0.00 175.35 174.97 2cqw s ASP 67 N -2.60 2.57 0.06 1.43 2.15 -1.26 -5.15 116.67 113.87 2cqw s ASP 67 Ca 0.02 -0.73 -0.02 0.00 0.43 0.00 0.00 52.55 52.24 2cqw s ASP 67 Cb 0.03 -0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.48 2cqw s ASP 67 CO -0.08 0.03 0.01 0.12 -0.17 0.00 0.00 175.17 175.08 2cqw s PHE 68 N -1.41 0.45 -0.05 -5.34 5.36 -1.26 -5.17 117.98 110.57 2cqw s PHE 68 Ca 0.09 -0.98 -0.26 0.00 -0.96 0.00 0.00 56.93 54.82 2cqw s PHE 68 Cb -0.09 -0.33 0.06 0.00 -0.34 0.00 0.00 43.02 42.32 2cqw s PHE 68 CO 0.05 -0.41 0.58 0.54 -1.46 0.00 0.00 175.22 174.51 2cqw s VAL 69 N -3.91 0.02 0.03 3.12 0.11 -1.26 -5.18 120.40 113.33 2cqw s VAL 69 Ca 0.07 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.78 2cqw s VAL 69 Cb 0.07 -0.89 0.05 0.00 -1.53 0.00 0.00 36.38 34.08 2cqw s VAL 69 CO -0.10 -0.07 0.49 0.54 -3.33 0.00 0.00 175.10 172.63 2cqw s VAL 70 N -1.14 0.04 0.06 2.04 0.11 -1.26 -5.18 120.40 115.06 2cqw s VAL 70 Ca -0.11 -0.30 -0.28 0.00 -2.93 0.00 0.00 61.98 58.36 2cqw s VAL 70 Cb -0.02 -0.94 0.09 0.00 -1.53 0.00 0.00 36.38 33.99 2cqw s VAL 70 CO 0.08 -0.16 1.11 0.00 -3.33 0.00 0.00 175.10 172.79 2cqw s GLN 71 N -2.23 0.79 -0.25 1.54 -2.07 -1.26 -5.19 119.66 111.00 2cqw s GLN 71 Ca -0.07 -0.43 -0.31 0.00 -1.82 0.00 0.00 55.36 52.74 2cqw s GLN 71 Cb -0.01 0.28 0.17 0.00 -1.09 0.00 0.00 33.01 32.36 2cqw s GLN 71 CO -0.00 -0.36 1.28 -1.58 -1.32 0.00 0.00 175.29 173.31 2cqw s HIS 72 N -2.87 -0.10 0.08 9.60 2.46 -1.26 -5.19 115.29 118.01 2cqw s HIS 72 Ca 0.13 0.15 -0.26 0.00 0.47 0.00 0.00 55.06 55.54 2cqw s HIS 72 Cb 0.01 0.49 0.09 0.00 -0.13 0.00 0.00 32.58 33.05 2cqw s HIS 72 CO -0.01 -0.11 1.15 -0.48 -2.47 0.00 0.00 174.74 172.81 2cqw s LEU 73 N -1.31 -0.05 -0.29 8.88 0.05 -1.26 -5.18 118.68 119.52 2cqw s LEU 73 Ca 0.08 -0.37 -0.23 0.00 0.05 0.00 0.00 54.13 53.65 2cqw s LEU 73 Cb -0.01 1.74 0.16 0.00 -2.05 0.00 0.00 46.19 46.03 2cqw s LEU 73 CO -0.05 -0.63 1.19 -0.75 -0.55 0.00 0.00 176.35 175.55 2cqw s LYS 74 N -2.42 0.30 0.00 1.48 2.20 -1.26 -5.17 119.74 114.87 2cqw s LYS 74 Ca 0.20 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2cqw s LYS 74 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 2cqw s LYS 74 CO 0.01 -0.04 0.00 1.87 -0.36 0.00 0.00 175.35 176.83 2cqw n TRP 75 N 2.20 0.00 -4.26 4.03 -0.00 -1.26 -5.19 117.44 112.96 2cqw n TRP 75 Ca -0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.23 2cqw n TRP 75 Cb 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.77 2cqw n TRP 75 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2cqw s THR 76 N -0.16 0.80 0.00 5.87 -4.23 -1.26 -5.13 115.64 111.54 2cqw s THR 76 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2cqw s THR 76 Cb 0.00 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2cqw s THR 76 CO 0.00 -0.48 0.00 -0.67 -0.54 0.00 0.00 174.62 172.93 2cqw n ASP 77 N -0.27 0.00 -4.81 3.99 -0.08 -1.26 -5.17 116.55 108.95 2cqw n ASP 77 Ca -0.07 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.91 2cqw n ASP 77 Cb 0.63 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.16 2cqw n ASP 77 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2cqw s PRO 78 N 0.00 2.51 -0.26 -0.67 0.04 -1.26 -5.07 135.00 130.29 2cqw s PRO 78 Ca 0.00 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.53 2cqw s PRO 78 Cb 0.00 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.76 2cqw s PRO 78 CO 0.00 -1.36 1.30 0.45 0.04 0.00 0.00 177.00 177.43 2cqw s SER 79 N -3.85 -0.09 0.00 6.66 0.15 -1.26 -5.15 113.70 110.16 2cqw s SER 79 Ca 0.59 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2cqw s SER 79 Cb -0.14 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2cqw s SER 79 CO 0.55 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2cqw n GLY 80 N 0.45 -1.06 3.26 9.45 0.00 -1.26 -5.18 105.19 110.85 2cqw n GLY 80 Ca -0.01 0.91 -0.26 0.00 0.00 0.00 0.00 46.02 46.66 2cqw n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqw n PRO 81 N 0.00 -2.01 -3.51 1.61 -0.04 -1.26 -5.10 135.00 124.68 2cqw n PRO 81 Ca 0.00 -1.69 -0.14 0.00 -0.04 0.00 0.00 63.50 61.64 2cqw n PRO 81 Cb 0.00 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 -4.72 -0.51 0.00 3.54 0.15 -1.26 -5.18 113.70 105.72 2cqw s SER 82 Ca 0.65 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2cqw s SER 82 Cb -0.04 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2cqw s SER 82 CO 0.47 -0.81 0.00 -1.20 1.20 0.00 0.00 173.24 172.91 2cqw n SER 83 N 0.14 0.00 0.00 5.45 7.64 -1.26 -5.38 113.62 120.21 2cqw n SER 83 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2cqw n SER 83 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64