#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 -6.75 -3.61 1.61 3.41 -1.26 -5.00 113.62 102.01 2cqw n SER 2 Ca 0.00 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.13 2cqw n SER 2 Cb 0.00 -2.26 -0.01 0.00 -0.26 0.00 0.00 64.21 61.67 2cqw n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqw s SER 3 N -1.17 -0.06 -0.59 4.04 0.15 -1.26 -5.06 113.70 109.76 2cqw s SER 3 Ca 0.03 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.69 2cqw s SER 3 Cb -0.00 0.08 0.38 0.00 -1.71 0.00 0.00 66.02 64.76 2cqw s SER 3 CO 0.21 -0.14 1.26 0.61 1.20 0.00 0.00 173.24 176.38 2cqw n GLY 4 N -0.20 5.84 3.29 9.45 0.00 -1.26 -4.94 105.19 117.37 2cqw n GLY 4 Ca -0.01 -2.72 0.03 0.00 0.00 0.00 0.00 46.02 43.32 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 -2.98 -0.37 -1.21 1.61 0.15 -1.26 -5.08 113.70 104.56 2cqw s SER 5 Ca 0.48 0.48 -0.16 0.00 0.70 0.00 0.00 55.95 57.44 2cqw s SER 5 Cb 0.35 1.41 0.12 0.00 -1.71 0.00 0.00 66.02 66.19 2cqw s SER 5 CO -0.20 -0.07 1.53 -0.94 1.20 0.00 0.00 173.24 174.75 2cqw s SER 6 N 2.35 6.91 0.21 5.45 1.04 -1.26 -4.92 113.70 123.48 2cqw s SER 6 Ca -0.01 -2.61 0.00 0.00 0.48 0.00 0.00 55.95 53.81 2cqw s SER 6 Cb -0.04 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2cqw s SER 6 CO -0.16 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2cqw n GLY 7 N 4.90 -1.13 3.87 7.32 0.00 -1.26 -4.82 105.19 114.06 2cqw n GLY 7 Ca 0.40 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2cqw n GLY 7 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2cqw n ILE 8 N -2.74 -3.52 -1.40 -0.61 3.06 -1.26 -4.71 119.36 108.18 2cqw n ILE 8 Ca -0.00 -0.29 -0.42 0.00 -2.50 0.00 0.00 62.75 59.53 2cqw n ILE 8 Cb 0.59 -2.93 -0.03 0.00 0.54 0.00 0.00 39.64 37.81 2cqw n ILE 8 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2cqw n PRO 9 N -3.58 2.15 -0.19 9.51 -0.04 -1.26 -4.79 135.00 136.80 2cqw n PRO 9 Ca -0.22 -2.18 0.01 0.00 -0.04 0.00 0.00 63.50 61.07 2cqw n PRO 9 Cb 0.63 -3.07 -0.01 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.31 -2.82 3.82 0.55 0.00 -1.26 -4.96 105.19 104.82 2cqw n GLY 10 Ca 0.51 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.57 3.06 -0.65 1.61 0.04 -1.26 -4.96 135.00 129.27 2cqw s PRO 11 Ca 0.00 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 2cqw s PRO 11 Cb 0.00 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2cqw s PRO 11 CO 0.00 -1.00 1.45 0.20 0.04 0.00 0.00 177.00 177.69 2cqw s GLY 12 N -3.54 0.74 -0.14 0.56 0.00 -1.26 -4.94 107.32 98.74 2cqw s GLY 12 Ca 0.59 -0.98 -0.04 0.00 0.00 0.00 0.00 44.72 44.30 2cqw s GLY 12 CO 0.50 2.87 0.23 -0.12 0.00 0.00 0.00 173.10 176.58 2cqw s PHE 13 N 6.57 -0.35 -0.35 1.90 2.19 -1.26 -5.10 117.98 121.59 2cqw s PHE 13 Ca 0.48 0.73 -0.00 0.00 0.33 0.00 0.00 56.93 58.46 2cqw s PHE 13 Cb -0.10 -0.15 0.13 0.00 -1.31 0.00 0.00 43.02 41.59 2cqw s PHE 13 CO 0.20 -0.40 0.20 0.99 1.83 0.00 0.00 175.22 178.04 2cqw s THR 14 N 2.38 0.21 -0.03 0.12 2.01 -1.26 -5.11 115.64 113.95 2cqw s THR 14 Ca 0.03 -1.62 -0.05 0.00 0.31 0.00 0.00 61.69 60.36 2cqw s THR 14 Cb -0.13 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.22 2cqw s THR 14 CO -0.09 -0.94 0.11 0.00 -0.69 0.00 0.00 174.62 173.02 2cqw s ALA 15 N 1.18 -0.28 0.00 7.40 0.00 -1.26 -5.09 121.76 123.71 2cqw s ALA 15 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2cqw s ALA 15 Cb -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2cqw s ALA 15 CO -0.05 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2cqw n GLY 16 N 2.62 0.21 2.94 0.00 0.00 -1.26 -5.07 105.19 104.63 2cqw n GLY 16 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.26 1.49 0.38 4.61 0.00 -1.26 -5.13 121.76 119.58 2cqw s ALA 17 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2cqw s ALA 17 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2cqw s ALA 17 CO 0.00 -0.45 0.08 -0.65 0.00 0.00 0.00 175.76 174.75 2cqw s GLN 18 N 1.64 2.13 0.00 0.00 1.11 -1.26 -4.97 119.66 118.32 2cqw s GLN 18 Ca 0.05 -1.83 0.00 0.00 0.01 0.00 0.00 55.36 53.59 2cqw s GLN 18 Cb -0.13 -1.92 0.00 0.00 -1.01 0.00 0.00 33.01 29.95 2cqw s GLN 18 CO -0.09 0.01 0.00 0.41 0.01 0.00 0.00 175.29 175.63 2cqw n GLY 19 N -1.08 0.52 3.32 3.09 0.00 -1.26 -4.81 105.19 104.98 2cqw n GLY 19 Ca -0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 2cqw n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqw s SER 20 N -0.13 2.78 -0.38 1.61 1.04 -1.26 -4.77 113.70 112.59 2cqw s SER 20 Ca 0.00 -0.73 0.10 0.00 0.48 0.00 0.00 55.95 55.80 2cqw s SER 20 Cb 0.00 -0.17 0.44 0.00 0.10 0.00 0.00 66.02 66.39 2cqw s SER 20 CO 0.00 0.08 1.07 0.00 0.98 0.00 0.00 173.24 175.36 2cqw h SER 22 N 2.68 -0.09 -0.53 0.00 4.64 -1.95 -3.37 113.55 114.94 2cqw h SER 22 Ca 0.16 -0.48 -0.37 0.00 -0.47 0.00 0.00 61.79 60.63 2cqw h SER 22 Cb 1.06 0.02 -0.27 0.00 -0.31 0.00 0.00 62.40 62.90 2cqw h SER 22 CO 0.71 0.57 -0.55 0.00 -0.87 0.00 0.00 176.83 176.69 2cqw n LEU 23 N -4.81 4.44 0.00 5.97 -0.00 -1.26 -4.86 117.00 116.48 2cqw n LEU 23 Ca -0.07 -4.40 0.00 0.00 -0.00 0.00 0.00 56.01 51.54 2cqw n LEU 23 Cb 0.28 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2cqw n LEU 23 CO 0.24 1.79 0.00 0.54 -0.00 0.00 0.00 177.39 179.97 2cqw n ARG 24 N -0.88 0.00 -3.61 1.47 1.74 -1.26 -5.00 116.66 109.13 2cqw n ARG 24 Ca 0.38 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.21 2cqw n ARG 24 Cb 0.88 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.40 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 -2.01 -0.98 3.51 0.00 0.00 0.35 -4.86 105.19 101.19 2cqw n GLY 26 Ca 0.01 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.65 -0.09 4.61 0.00 -1.10 -4.86 121.76 119.67 2cqw s ALA 27 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2cqw s ALA 27 Cb 0.00 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2cqw s ALA 27 CO 0.00 -0.79 -0.14 -0.65 0.00 0.00 0.00 175.76 174.17 2cqw s GLN 28 N -3.92 2.07 0.42 0.00 -0.21 -1.26 0.17 119.66 116.94 2cqw s GLN 28 Ca 0.13 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.02 2cqw s GLN 28 Cb -0.00 -1.74 -0.02 0.00 1.00 0.00 0.00 33.01 32.24 2cqw s GLN 28 CO -0.00 -0.02 0.11 0.34 -2.12 0.00 0.00 175.29 173.59 2cqw s ASP 29 N 0.87 2.97 -0.15 5.90 2.15 -0.11 -4.95 116.67 123.34 2cqw s ASP 29 Ca -0.10 -1.66 -0.21 0.00 0.43 0.00 0.00 52.55 51.02 2cqw s ASP 29 Cb -0.15 0.47 -0.19 0.00 -0.30 0.00 0.00 42.92 42.75 2cqw s ASP 29 CO 0.01 -0.90 0.44 1.23 -0.17 0.00 0.00 175.17 175.78 2cqw h GLY 30 N 1.74 0.00 0.94 2.66 0.00 -2.00 -3.37 103.07 103.04 2cqw h GLY 30 Ca -0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2cqw h GLY 30 CO 0.60 0.00 0.13 1.41 0.00 0.00 0.00 176.54 178.68 2cqw h LEU 31 N -1.00 0.58 0.00 3.11 3.38 -1.93 -3.47 115.31 115.99 2cqw h LEU 31 Ca -0.09 -0.20 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 2cqw h LEU 31 Cb 0.89 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2cqw h LEU 31 CO -0.05 0.63 -0.12 0.00 0.09 0.00 0.00 178.44 178.99 2cqw s SER 33 N -3.20 -0.16 -0.25 0.00 0.15 0.47 -0.94 113.70 109.78 2cqw s SER 33 Ca 0.29 0.30 0.14 0.00 0.70 0.00 0.00 55.95 57.37 2cqw s SER 33 Cb -0.01 0.33 0.70 0.00 -1.71 0.00 0.00 66.02 65.33 2cqw s SER 33 CO 0.21 -0.08 1.65 0.00 1.20 0.00 0.00 173.24 176.21 2cqw s HIS 35 N -2.88 3.50 -1.78 0.00 2.46 0.42 0.13 115.29 117.14 2cqw s HIS 35 Ca 0.50 0.30 0.23 0.00 0.47 0.00 0.00 55.06 56.57 2cqw s HIS 35 Cb 0.40 -1.81 1.32 0.00 -0.13 0.00 0.00 32.58 32.36 2cqw s HIS 35 CO 0.12 0.52 1.77 -0.35 -2.47 0.00 0.00 174.74 174.33 2cqw n PRO 36 N -0.03 0.58 0.00 2.88 -0.04 -1.26 -2.10 135.00 135.03 2cqw n PRO 36 Ca -0.05 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2cqw n PRO 36 Cb 0.52 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.11 0.00 0.32 0.52 -2.24 -1.26 -3.91 114.28 106.60 2cqw n THR 37 Ca 0.15 -0.05 0.20 0.00 -2.27 0.00 0.00 64.05 62.07 2cqw n THR 37 Cb 0.12 0.64 1.05 0.00 -2.10 0.00 0.00 70.33 70.04 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 0.84 0.76 0.00 0.87 -1.79 1.46 113.55 115.70 2cqw h SER 39 Ca -0.00 -0.33 -0.17 0.00 -1.23 0.00 0.00 61.79 60.06 2cqw h SER 39 Cb 0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2cqw h SER 39 CO 0.00 0.97 -0.79 1.23 -0.53 0.00 0.00 176.83 177.71 2cqw h GLY 40 N 0.69 0.03 0.00 5.77 0.00 -1.41 -3.37 103.07 104.78 2cqw h GLY 40 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2cqw h GLY 40 CO 0.03 0.04 -0.03 1.41 0.00 0.00 0.00 176.54 177.99 2cqw h LEU 41 N 0.01 0.00 0.00 3.11 3.38 -1.12 -3.50 115.31 117.19 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 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2cqw h LEU 41 CO 0.11 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.34 2cqw n GLY 42 N 1.86 0.98 0.43 0.83 0.00 0.50 -5.04 105.19 104.76 2cqw n GLY 42 Ca -0.00 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 1.54 -2.03 2.61 -2.24 -1.12 -5.06 114.28 107.97 2cqw n THR 43 Ca 0.00 -2.14 -0.38 0.00 -2.27 0.00 0.00 64.05 59.26 2cqw n THR 43 Cb 0.00 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.38 0.00 -0.20 0.00 4.81 -1.94 -2.65 114.58 114.22 2cqw h GLU 46 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2cqw h GLU 46 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2cqw h GLU 46 CO 0.62 0.34 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 2cqw n ASP 47 N -3.60 3.39 -0.03 1.04 5.68 -1.26 -4.63 116.55 117.14 2cqw n ASP 47 Ca -0.01 -2.92 -0.13 0.00 -0.50 0.00 0.00 54.79 51.23 2cqw n ASP 47 Cb 0.46 -0.48 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 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 1.35 0.20 -0.07 2.11 3.57 -1.83 -1.83 116.94 120.44 2cqw h PHE 48 Ca 0.00 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.26 2cqw h PHE 48 Cb 1.25 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 2cqw h PHE 48 CO 0.34 0.59 -0.75 -0.07 -2.23 0.00 0.00 178.31 176.20 2cqw h LEU 49 N -0.24 0.48 -1.11 0.59 3.38 -1.76 1.52 115.31 118.17 2cqw h LEU 49 Ca 0.01 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.70 2cqw h LEU 49 Cb 0.55 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2cqw h LEU 49 CO 0.02 1.07 0.60 -0.78 0.09 0.00 0.00 178.44 179.44 2cqw h ASP 50 N 0.27 0.99 0.29 -0.43 3.58 -1.81 0.47 116.42 119.77 2cqw h ASP 50 Ca -0.03 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2cqw h ASP 50 Cb 1.33 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 2cqw h ASP 50 CO 0.13 0.67 -1.74 -1.22 -2.88 0.00 0.00 179.24 174.20 2cqw n TYR 51 N -4.45 0.29 -3.16 0.28 4.01 -0.69 -4.48 117.16 108.97 2cqw n TYR 51 Ca 0.12 0.09 -0.25 0.00 -0.16 0.00 0.00 57.90 57.71 2cqw n TYR 51 Cb 0.11 -0.67 -0.05 0.00 -0.31 0.00 0.00 39.34 38.42 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 0.41 6.50 -1.49 0.00 4.77 0.16 -4.23 117.00 123.12 2cqw n LEU 53 Ca 0.28 -3.71 -0.01 0.00 -0.03 0.00 0.00 56.01 52.54 2cqw n LEU 53 Cb 0.48 -0.82 0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2cqw n LEU 53 CO 0.30 1.13 0.27 1.21 -1.33 0.00 0.00 177.39 178.98 2cqw n GLU 54 N -1.12 0.21 -0.02 3.23 2.13 -1.26 -4.97 120.64 118.82 2cqw n GLU 54 Ca 0.57 -0.22 0.01 0.00 0.66 0.00 0.00 57.16 58.17 2cqw n GLU 54 Cb 1.49 0.17 -0.08 0.00 0.27 0.00 0.00 31.44 33.29 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 -0.23 0.31 -1.18 6.31 -5.35 -1.26 -5.03 119.36 112.93 2cqw n ILE 55 Ca -0.04 -0.32 -0.36 0.00 -0.27 0.00 0.00 62.75 61.77 2cqw n ILE 55 Cb 0.52 -0.20 0.07 0.00 -1.74 0.00 0.00 39.64 38.29 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 -2.09 -0.18 0.03 7.28 4.77 -1.26 -4.94 117.00 120.62 2cqw n LEU 56 Ca -0.08 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2cqw n LEU 56 Cb 0.52 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.39 2cqw n LEU 56 CO 0.21 -3.54 0.31 1.55 -1.33 0.00 0.00 177.39 174.60 2cqw h PRO 57 N -0.55 -0.18 -1.32 3.23 0.13 -1.98 -3.49 132.00 127.84 2cqw h PRO 57 Ca -0.45 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 64.99 2cqw h PRO 57 Cb 1.34 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.33 2cqw h PRO 57 CO 0.40 0.23 0.87 0.45 -0.23 0.00 0.00 178.00 179.72 2cqw s SER 58 N -5.53 -0.08 -0.91 1.44 0.15 -1.26 -5.09 113.70 102.42 2cqw s SER 58 Ca -0.11 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 2cqw s SER 58 Cb -0.00 0.10 0.23 0.00 -1.71 0.00 0.00 66.02 64.64 2cqw s SER 58 CO 0.40 -0.17 0.81 -0.44 1.20 0.00 0.00 173.24 175.04 2cqw s SER 59 N -2.29 6.19 0.77 5.45 0.01 -1.26 -5.05 113.70 117.52 2cqw s SER 59 Ca 0.11 -3.61 -0.03 0.00 1.31 0.00 0.00 55.95 53.73 2cqw s SER 59 Cb 0.00 -1.96 0.06 0.00 0.21 0.00 0.00 66.02 64.33 2cqw s SER 59 CO -0.04 -0.23 0.35 0.61 0.41 0.00 0.00 173.24 174.35 2cqw n GLY 60 N 2.53 -0.36 3.93 3.44 0.00 -1.26 -5.09 105.19 108.38 2cqw n GLY 60 Ca 0.21 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.35 4.10 -0.01 1.61 0.01 -1.26 -5.03 113.70 110.77 2cqw s SER 61 Ca 0.21 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2cqw s SER 61 Cb -0.01 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 2cqw s SER 61 CO 0.15 -2.09 -0.01 1.15 0.41 0.00 0.00 173.24 172.85 2cqw n MET 62 N -3.30 1.36 0.14 12.44 0.00 -1.26 -5.01 117.12 121.48 2cqw n MET 62 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 2cqw n MET 62 Cb 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.80 2cqw n MET 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2cqw n MET 63 N -2.36 0.00 0.00 3.17 1.56 -1.26 -5.12 117.12 113.11 2cqw n MET 63 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 2cqw n MET 63 Cb 0.53 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.90 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 -0.38 1.44 0.00 -5.12 0.00 -1.26 -4.90 105.19 94.96 2cqw n GLY 64 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -1.10 3.41 -0.02 0.00 -1.26 -5.17 105.19 101.05 2cqw n GLY 65 Ca 0.00 0.69 -0.20 0.00 0.00 0.00 0.00 46.02 46.51 2cqw n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqw s LYS 66 N 1.55 1.53 -0.10 1.61 -2.85 -1.26 -5.09 119.74 115.13 2cqw s LYS 66 Ca 0.00 -1.81 -0.12 0.00 -1.00 0.00 0.00 55.97 53.04 2cqw s LYS 66 Cb 0.00 -0.84 -0.05 0.00 -2.06 0.00 0.00 37.83 34.89 2cqw s LYS 66 CO 0.00 -0.12 -0.24 -0.25 0.10 0.00 0.00 175.35 174.85 2cqw n ASP 67 N -0.58 1.63 -3.64 0.03 8.00 -1.26 -5.12 116.55 115.61 2cqw n ASP 67 Ca -0.04 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.70 2cqw n ASP 67 Cb 0.65 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 2cqw n ASP 67 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2cqw s PHE 68 N -2.58 -0.14 0.49 1.24 0.08 -1.26 -5.15 117.98 110.66 2cqw s PHE 68 Ca -0.21 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 56.82 2cqw s PHE 68 Cb 0.04 0.57 0.00 0.00 -0.57 0.00 0.00 43.02 43.06 2cqw s PHE 68 CO 0.30 -0.50 0.00 0.28 -0.10 0.00 0.00 175.22 175.20 2cqw n VAL 69 N -0.37 -3.85 -4.50 -0.44 0.31 -1.26 -4.99 118.33 103.22 2cqw n VAL 69 Ca -0.06 1.77 -0.22 0.00 -0.01 0.00 0.00 64.34 65.82 2cqw n VAL 69 Cb 0.61 -2.61 -0.16 0.00 -0.91 0.00 0.00 33.84 30.78 2cqw n VAL 69 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cqw s VAL 70 N -4.18 0.96 1.23 2.52 1.01 -1.26 -5.13 120.40 115.55 2cqw s VAL 70 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 2cqw s VAL 70 Cb 0.00 -0.85 0.30 0.00 0.00 0.00 0.00 36.38 35.83 2cqw s VAL 70 CO 0.00 0.30 0.91 1.67 0.00 0.00 0.00 175.10 177.97 2cqw n GLN 71 N 3.37 -2.82 -1.79 2.72 -0.06 -1.26 -5.00 117.38 112.54 2cqw n GLN 71 Ca -0.19 -0.80 -0.29 0.00 -2.00 0.00 0.00 57.00 53.72 2cqw n GLN 71 Cb 0.53 -2.09 0.11 0.00 -4.06 0.00 0.00 30.24 24.74 2cqw n GLN 71 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2cqw s HIS 72 N -2.34 2.66 0.55 3.69 2.46 -1.26 -5.09 115.29 115.96 2cqw s HIS 72 Ca 0.68 0.73 0.08 0.00 0.47 0.00 0.00 55.06 57.02 2cqw s HIS 72 Cb -0.23 -3.53 0.06 0.00 -0.13 0.00 0.00 32.58 28.75 2cqw s HIS 72 CO 0.65 -2.05 0.62 -1.17 -2.47 0.00 0.00 174.74 170.32 2cqw s LEU 73 N -5.75 2.99 0.07 8.88 0.20 -1.26 -5.14 118.68 118.67 2cqw s LEU 73 Ca 0.64 -0.98 0.07 0.00 0.69 0.00 0.00 54.13 54.55 2cqw s LEU 73 Cb -0.11 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 2cqw s LEU 73 CO 0.51 -1.20 -0.19 -0.75 -0.29 0.00 0.00 176.35 174.42 2cqw s LYS 74 N -4.49 1.13 0.55 1.98 2.47 -1.26 -5.11 119.74 115.01 2cqw s LYS 74 Ca 0.51 -1.01 -0.19 0.00 -1.56 0.00 0.00 55.97 53.72 2cqw s LYS 74 Cb -0.04 -1.28 -0.08 0.00 -1.46 0.00 0.00 37.83 34.96 2cqw s LYS 74 CO 0.32 0.31 0.77 -2.67 0.16 0.00 0.00 175.35 174.23 2cqw n TRP 75 N 1.47 0.18 -2.25 4.03 4.27 -1.26 -4.39 117.44 119.49 2cqw n TRP 75 Ca -0.19 0.47 0.00 0.00 -3.89 0.00 0.00 57.50 53.89 2cqw n TRP 75 Cb 0.54 -2.07 0.00 0.00 -1.36 0.00 0.00 31.31 28.42 2cqw n TRP 75 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 2cqw n THR 76 N -1.47-13.33 -4.23 -1.67 -1.04 -1.26 -4.99 114.28 86.29 2cqw n THR 76 Ca 0.12 3.26 -0.33 0.00 -2.04 0.00 0.00 64.05 65.05 2cqw n THR 76 Cb 0.46 -5.78 -0.15 0.00 -1.82 0.00 0.00 70.33 63.03 2cqw n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2cqw s ASP 77 N -0.56 3.56 0.82 8.00 -1.08 -1.26 -5.12 116.67 121.04 2cqw s ASP 77 Ca 0.00 -0.53 -0.12 0.00 -0.52 0.00 0.00 52.55 51.38 2cqw s ASP 77 Cb 0.00 -1.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.98 2cqw s ASP 77 CO 0.00 0.03 1.11 -2.16 0.52 0.00 0.00 175.17 174.66 2cqw s PRO 78 N 1.16 1.90 -0.04 4.34 0.04 -1.26 -5.08 135.00 136.05 2cqw s PRO 78 Ca 0.01 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 2cqw s PRO 78 Cb -0.14 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.60 2cqw s PRO 78 CO -0.06 -1.73 0.98 0.45 0.04 0.00 0.00 177.00 176.68 2cqw s SER 79 N -3.94 -0.29 0.00 6.66 0.15 -1.26 -5.15 113.70 109.87 2cqw s SER 79 Ca 0.61 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2cqw s SER 79 Cb -0.14 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2cqw s SER 79 CO 0.54 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2cqw n GLY 80 N -0.22 -0.06 0.10 9.45 0.00 -1.26 -5.08 105.19 108.12 2cqw n GLY 80 Ca -0.06 0.63 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 2cqw n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqw h PRO 81 N 0.00 -0.11 -3.62 1.61 0.13 -2.08 -3.50 132.00 124.43 2cqw h PRO 81 Ca 0.00 0.01 0.25 0.00 -0.87 0.00 0.00 66.00 65.39 2cqw h PRO 81 Cb 0.00 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 31.02 2cqw h PRO 81 CO 0.00 0.42 -1.20 0.43 -0.23 0.00 0.00 178.00 177.42 2cqw n SER 82 N -4.82 -8.02 0.20 1.44 7.64 -1.26 -5.04 113.62 103.75 2cqw n SER 82 Ca -0.08 1.59 0.00 0.00 1.01 0.00 0.00 58.87 61.40 2cqw n SER 82 Cb 0.29 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 2cqw n SER 82 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cqw n SER 83 N -3.88 -3.10 0.00 6.43 7.64 -1.26 -5.35 113.62 114.10 2cqw n SER 83 Ca -0.07 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2cqw n SER 83 Cb 0.63 2.96 0.00 0.00 -1.01 0.00 0.00 64.21 66.79 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64