#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 -0.22 -0.00 1.61 0.15 -1.26 -5.18 113.70 108.80 2cqw s SER 2 Ca 0.00 -0.53 -0.28 0.00 0.70 0.00 0.00 55.95 55.84 2cqw s SER 2 Cb 0.00 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 2cqw s SER 2 CO 0.00 -1.03 0.84 -0.94 1.20 0.00 0.00 173.24 173.31 2cqw s SER 3 N -2.88 -0.43 0.00 5.45 1.04 -1.26 -5.19 113.70 110.44 2cqw s SER 3 Ca 0.10 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2cqw s SER 3 Cb -0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2cqw s SER 3 CO -0.03 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2cqw n GLY 4 N -0.02 4.70 3.47 7.32 0.00 -1.26 -5.19 105.19 114.21 2cqw n GLY 4 Ca -0.11 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 2cqw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqw s SER 5 N -0.06 -0.45 0.20 1.61 0.01 -1.26 -5.19 113.70 108.58 2cqw s SER 5 Ca 0.00 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.08 2cqw s SER 5 Cb 0.00 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2cqw s SER 5 CO 0.00 -1.01 0.12 -0.55 0.41 0.00 0.00 173.24 172.21 2cqw s SER 6 N -2.79 0.34 0.50 2.44 0.15 -1.26 -5.18 113.70 107.90 2cqw s SER 6 Ca 0.04 -1.37 0.07 0.00 0.70 0.00 0.00 55.95 55.38 2cqw s SER 6 Cb -0.01 0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2cqw s SER 6 CO -0.09 -0.81 0.48 -0.83 1.20 0.00 0.00 173.24 173.19 2cqw s GLY 7 N -3.18 2.13 0.05 9.45 0.00 -1.26 -5.15 107.32 109.37 2cqw s GLY 7 Ca 0.38 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 2cqw s GLY 7 CO 0.11 -1.78 0.08 -0.26 0.00 0.00 0.00 173.10 171.25 2cqw s ILE 8 N -2.63 0.15 0.31 0.90 -4.36 -1.26 -5.15 121.20 109.17 2cqw s ILE 8 Ca 0.46 -1.25 -0.28 0.00 -0.26 0.00 0.00 60.65 59.32 2cqw s ILE 8 Cb -0.04 -1.08 -0.09 0.00 1.25 0.00 0.00 42.46 42.50 2cqw s ILE 8 CO 0.28 -0.69 1.07 -2.16 0.24 0.00 0.00 174.94 173.68 2cqw s PRO 9 N -3.05 4.54 -0.48 0.37 0.04 -1.26 -5.02 135.00 130.15 2cqw s PRO 9 Ca -0.01 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 2cqw s PRO 9 Cb 0.01 -3.04 0.13 0.00 0.04 0.00 0.00 34.50 31.64 2cqw s PRO 9 CO -0.07 0.15 0.28 0.20 0.04 0.00 0.00 177.00 177.61 2cqw s GLY 10 N -1.07 2.15 1.02 0.56 0.00 -1.26 -5.09 107.32 103.63 2cqw s GLY 10 Ca 0.47 -2.76 -0.16 0.00 0.00 0.00 0.00 44.72 42.28 2cqw s GLY 10 CO 0.37 1.05 1.19 2.56 0.00 0.00 0.00 173.10 178.28 2cqw s PRO 11 N 0.79 0.23 0.00 2.90 0.04 -1.26 -5.09 135.00 132.60 2cqw s PRO 11 Ca 0.11 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2cqw s PRO 11 Cb -0.22 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2cqw s PRO 11 CO -0.04 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 174.66 2cqw n GLY 12 N -2.34 1.12 3.02 0.56 0.00 -1.26 -5.12 105.19 101.17 2cqw n GLY 12 Ca 0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 3.25 -1.15 0.18 1.61 5.36 -1.26 -5.08 117.98 120.89 2cqw s PHE 13 Ca 0.00 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2cqw s PHE 13 Cb 0.00 0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2cqw s PHE 13 CO 0.00 -0.78 0.00 2.41 -1.46 0.00 0.00 175.22 175.39 2cqw n THR 14 N 5.39-12.13 -3.95 0.12 -1.04 -1.26 -5.01 114.28 96.40 2cqw n THR 14 Ca -0.03 2.99 -0.25 0.00 -2.04 0.00 0.00 64.05 64.73 2cqw n THR 14 Cb 0.50 -5.12 -0.03 0.00 -1.82 0.00 0.00 70.33 63.87 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 -0.45 3.95 0.00 2.41 0.00 -1.26 -4.81 121.76 121.60 2cqw s ALA 15 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2cqw s ALA 15 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2cqw s ALA 15 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2cqw n GLY 16 N -0.78 0.75 2.92 0.00 0.00 -1.26 -5.07 105.19 101.75 2cqw n GLY 16 Ca -0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.15 -0.34 0.27 4.61 0.00 -1.26 -5.15 121.76 119.74 2cqw s ALA 17 Ca 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 2cqw s ALA 17 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2cqw s ALA 17 CO 0.00 -0.56 0.53 -0.65 0.00 0.00 0.00 175.76 175.09 2cqw s GLN 18 N 2.24 1.68 0.00 0.00 -0.21 -1.26 -5.08 119.66 117.03 2cqw s GLN 18 Ca 0.01 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.10 2cqw s GLN 18 Cb -0.12 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.39 2cqw s GLN 18 CO -0.07 -0.72 0.00 0.41 -2.12 0.00 0.00 175.29 172.79 2cqw n GLY 19 N -0.43 0.75 3.23 3.09 0.00 -1.26 -4.83 105.19 105.75 2cqw n GLY 19 Ca -0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.36 2.11 -0.51 1.61 1.04 -1.26 -4.70 113.70 111.64 2cqw s SER 20 Ca 0.00 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 55.81 2cqw s SER 20 Cb 0.00 -0.09 0.36 0.00 0.10 0.00 0.00 66.02 66.39 2cqw s SER 20 CO 0.00 -0.03 0.94 0.00 0.98 0.00 0.00 173.24 175.13 2cqw h SER 22 N 2.91 -0.00 0.00 0.00 0.87 -1.96 -3.37 113.55 112.00 2cqw h SER 22 Ca 0.14 -0.86 -0.02 0.00 -1.23 0.00 0.00 61.79 59.83 2cqw h SER 22 Cb 0.68 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 2cqw h SER 22 CO 0.76 0.87 -0.47 0.00 -0.53 0.00 0.00 176.83 177.45 2cqw n LEU 23 N -4.67 2.37 0.00 2.23 -0.00 -1.26 -4.90 117.00 110.77 2cqw n LEU 23 Ca -0.09 -3.46 0.00 0.00 -0.00 0.00 0.00 56.01 52.45 2cqw n LEU 23 Cb 0.42 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2cqw n LEU 23 CO 0.33 1.15 0.00 0.54 -0.00 0.00 0.00 177.39 179.41 2cqw n ARG 24 N -0.96 0.00 -3.49 1.47 1.74 -1.26 -4.98 116.66 109.18 2cqw n ARG 24 Ca 0.16 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.00 2cqw n ARG 24 Cb 0.73 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.24 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 -1.86 -0.98 3.51 0.00 0.00 0.50 -4.87 105.19 101.49 2cqw n GLY 26 Ca -0.02 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.32 -0.09 4.61 0.00 -1.01 -4.88 121.76 120.07 2cqw s ALA 27 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2cqw s ALA 27 Cb 0.00 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.11 2cqw s ALA 27 CO 0.00 -0.79 -0.15 -0.65 0.00 0.00 0.00 175.76 174.17 2cqw s GLN 28 N -3.98 2.08 0.41 0.00 -0.21 -1.26 0.96 119.66 117.67 2cqw s GLN 28 Ca 0.18 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.08 2cqw s GLN 28 Cb 0.00 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 2cqw s GLN 28 CO 0.04 -0.03 0.11 0.34 -2.12 0.00 0.00 175.29 173.63 2cqw s ASP 29 N 0.88 2.93 -0.16 5.90 2.15 -0.56 -4.96 116.67 122.85 2cqw s ASP 29 Ca -0.09 -1.65 -0.22 0.00 0.43 0.00 0.00 52.55 51.01 2cqw s ASP 29 Cb -0.15 0.46 -0.20 0.00 -0.30 0.00 0.00 42.92 42.73 2cqw s ASP 29 CO 0.01 -0.90 0.45 1.23 -0.17 0.00 0.00 175.17 175.78 2cqw h GLY 30 N 1.76 0.00 0.97 2.66 0.00 -2.00 -3.37 103.07 103.08 2cqw h GLY 30 Ca -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2cqw h GLY 30 CO 0.60 0.00 0.23 1.41 0.00 0.00 0.00 176.54 178.77 2cqw h LEU 31 N -1.00 0.57 0.00 3.11 4.07 -1.93 -3.47 115.31 116.67 2cqw h LEU 31 Ca -0.12 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2cqw h LEU 31 Cb 0.97 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2cqw h LEU 31 CO -0.07 0.53 0.00 0.00 -1.08 0.00 0.00 178.44 177.81 2cqw s SER 33 N 1.36 -0.64 -0.41 0.00 0.15 0.49 -1.50 113.70 113.16 2cqw s SER 33 Ca 0.00 1.18 0.06 0.00 0.70 0.00 0.00 55.95 57.88 2cqw s SER 33 Cb 0.00 1.21 0.67 0.00 -1.71 0.00 0.00 66.02 66.19 2cqw s SER 33 CO 0.00 -0.20 1.86 0.00 1.20 0.00 0.00 173.24 176.10 2cqw s HIS 35 N -3.23 3.03 -1.54 0.00 5.04 -0.40 0.19 115.29 118.38 2cqw s HIS 35 Ca 0.56 -0.02 0.23 0.00 -1.54 0.00 0.00 55.06 54.29 2cqw s HIS 35 Cb 0.46 -1.53 1.21 0.00 0.04 0.00 0.00 32.58 32.76 2cqw s HIS 35 CO 0.11 0.50 1.76 -0.35 -2.34 0.00 0.00 174.74 174.41 2cqw n PRO 36 N 0.35 0.40 0.00 2.88 -0.04 -1.26 -2.16 135.00 135.18 2cqw n PRO 36 Ca -0.10 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2cqw n PRO 36 Cb 0.53 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.23 0.00 0.45 0.52 -2.24 -1.26 -3.72 114.28 106.79 2cqw n THR 37 Ca 0.12 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2cqw n THR 37 Cb 0.16 0.62 0.39 0.00 -2.10 0.00 0.00 70.33 69.40 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 0.57 0.48 0.00 0.87 -1.80 1.49 113.55 115.16 2cqw h SER 39 Ca 0.00 -0.54 -0.21 0.00 -1.23 0.00 0.00 61.79 59.81 2cqw h SER 39 Cb 0.30 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2cqw h SER 39 CO 0.00 1.01 -0.91 1.23 -0.53 0.00 0.00 176.83 177.63 2cqw h GLY 40 N 0.16 0.32 0.00 5.77 0.00 -1.73 -3.34 103.07 104.25 2cqw h GLY 40 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2cqw h GLY 40 CO 0.07 0.50 -0.08 1.41 0.00 0.00 0.00 176.54 178.44 2cqw h LEU 41 N 0.16 0.00 0.00 3.11 3.38 -1.46 -3.49 115.31 117.00 2cqw h LEU 41 Ca -0.06 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2cqw h LEU 41 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2cqw h LEU 41 CO 0.15 0.71 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2cqw n GLY 42 N 1.70 1.15 0.37 0.83 0.00 0.50 -5.02 105.19 104.73 2cqw n GLY 42 Ca -0.05 0.00 0.09 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 -0.11 2.04 -1.92 2.61 -2.24 -0.97 -5.04 114.28 108.65 2cqw n THR 43 Ca 0.00 -2.19 -0.38 0.00 -2.27 0.00 0.00 64.05 59.21 2cqw n THR 43 Cb 0.00 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.54 0.00 -0.22 0.00 4.81 -1.95 -3.08 114.58 113.61 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 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2cqw h GLU 46 CO 0.62 0.63 0.00 -0.40 -0.73 0.00 0.00 179.01 179.14 2cqw n ASP 47 N -3.52 3.27 -0.03 1.04 5.75 -1.26 -4.63 116.55 117.18 2cqw n ASP 47 Ca -0.00 -2.71 -0.13 0.00 -0.01 0.00 0.00 54.79 51.94 2cqw n ASP 47 Cb 0.69 -0.41 -0.08 0.00 -1.03 0.00 0.00 41.12 40.29 2cqw n ASP 47 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2cqw h PHE 48 N 1.43 0.22 -0.09 2.11 3.57 -1.88 -1.19 116.94 121.10 2cqw h PHE 48 Ca 0.00 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.25 2cqw h PHE 48 Cb 1.13 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2cqw h PHE 48 CO 0.32 0.54 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.11 2cqw h LEU 49 N -0.17 0.62 -1.08 0.59 3.38 -1.77 1.57 115.31 118.45 2cqw h LEU 49 Ca 0.02 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2cqw h LEU 49 Cb 0.48 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2cqw h LEU 49 CO 0.01 1.18 0.62 0.44 0.09 0.00 0.00 178.44 180.78 2cqw h ASP 50 N 0.35 1.04 0.45 -0.43 5.19 -1.81 0.61 116.42 121.83 2cqw h ASP 50 Ca -0.04 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.19 2cqw h ASP 50 Cb 1.35 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 2cqw h ASP 50 CO 0.14 0.71 -1.69 -1.22 -3.12 0.00 0.00 179.24 174.06 2cqw n TYR 51 N -4.44 0.62 -3.19 4.55 4.02 -0.46 -4.45 117.16 113.81 2cqw n TYR 51 Ca 0.13 0.20 -0.25 0.00 -0.01 0.00 0.00 57.90 57.97 2cqw n TYR 51 Cb 0.09 -0.96 -0.06 0.00 -0.02 0.00 0.00 39.34 38.39 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 0.49 6.71 -1.80 0.00 4.77 0.21 -4.18 117.00 123.21 2cqw n LEU 53 Ca 0.28 -3.59 -0.01 0.00 -0.03 0.00 0.00 56.01 52.67 2cqw n LEU 53 Cb 0.46 -0.84 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2cqw n LEU 53 CO 0.32 1.05 0.35 1.21 -1.33 0.00 0.00 177.39 178.99 2cqw n GLU 54 N -1.13 0.37 -0.04 3.23 2.13 -1.26 -4.98 120.64 118.96 2cqw n GLU 54 Ca 0.59 -0.33 -0.04 0.00 0.66 0.00 0.00 57.16 58.04 2cqw n GLU 54 Cb 1.66 0.13 -0.07 0.00 0.27 0.00 0.00 31.44 33.43 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 -0.42 0.59 -1.46 6.31 -5.35 -1.26 -4.96 119.36 112.81 2cqw n ILE 55 Ca -0.05 -0.36 -0.44 0.00 -0.27 0.00 0.00 62.75 61.63 2cqw n ILE 55 Cb 0.60 -0.77 -0.13 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.34 0.66 -4.80 7.28 4.77 -1.26 -4.86 117.00 116.44 2cqw n LEU 56 Ca -0.14 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 2cqw n LEU 56 Cb 0.78 -1.00 0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2cqw n LEU 56 CO 0.18 -0.82 0.71 -2.16 -1.33 0.00 0.00 177.39 173.98 2cqw s PRO 57 N 8.34 2.10 -0.37 3.23 0.04 -1.26 -5.05 135.00 142.02 2cqw s PRO 57 Ca 1.28 0.64 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2cqw s PRO 57 Cb -1.17 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 31.60 2cqw s PRO 57 CO 0.49 -1.61 0.28 0.45 0.04 0.00 0.00 177.00 176.66 2cqw s SER 58 N -3.91 2.16 0.12 6.66 0.15 -1.26 -5.02 113.70 112.62 2cqw s SER 58 Ca 0.61 -2.24 -0.33 0.00 0.70 0.00 0.00 55.95 54.68 2cqw s SER 58 Cb -0.14 -0.15 -0.12 0.00 -1.71 0.00 0.00 66.02 63.90 2cqw s SER 58 CO 0.54 -0.26 1.55 0.28 1.20 0.00 0.00 173.24 176.55 2cqw h SER 59 N 6.68 -1.78 0.00 5.45 0.02 -2.01 -3.46 113.55 118.45 2cqw h SER 59 Ca 0.10 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2cqw h SER 59 Cb 0.98 0.71 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2cqw h SER 59 CO 0.26 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.11 2cqw n GLY 60 N -1.41 2.83 0.98 -3.77 0.00 -1.26 -5.09 105.19 97.47 2cqw n GLY 60 Ca -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2cqw n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqw n SER 61 N 0.00 0.60 -3.62 1.61 3.41 -1.26 -5.04 113.62 109.33 2cqw n SER 61 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2cqw n SER 61 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 2cqw n SER 61 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2cqw s MET 62 N -1.96 0.04 -0.43 4.33 1.00 -1.26 -5.11 119.30 115.91 2cqw s MET 62 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 55.69 55.72 2cqw s MET 62 Cb 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 34.83 33.66 2cqw s MET 62 CO 0.00 -0.54 0.29 1.41 0.00 0.00 0.00 175.02 176.18 2cqw s MET 63 N 2.19 2.74 0.39 2.03 0.00 -1.26 -5.03 119.30 120.36 2cqw s MET 63 Ca 0.04 -1.38 -0.15 0.00 0.00 0.00 0.00 55.69 54.19 2cqw s MET 63 Cb -0.15 -3.88 0.06 0.00 0.00 0.00 0.00 34.83 30.87 2cqw s MET 63 CO -0.08 -0.94 0.81 0.20 0.00 0.00 0.00 175.02 175.01 2cqw s GLY 64 N 2.19 0.40 0.00 2.11 0.00 -1.26 -5.15 107.32 105.61 2cqw s GLY 64 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2cqw s GLY 64 CO 0.04 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.54 2cqw n GLY 65 N -0.55 2.91 2.85 0.20 0.00 -1.26 -5.11 105.19 104.23 2cqw n GLY 65 Ca -0.09 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2cqw n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqw s LYS 66 N -0.70 1.41 -0.14 1.61 2.20 -1.26 -5.09 119.74 117.77 2cqw s LYS 66 Ca 0.00 -1.97 -0.22 0.00 -0.36 0.00 0.00 55.97 53.41 2cqw s LYS 66 Cb 0.00 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 2cqw s LYS 66 CO 0.00 -1.07 0.68 -0.51 -0.36 0.00 0.00 175.35 174.10 2cqw s ASP 67 N 0.53 6.85 -0.15 1.43 1.01 -1.26 -5.04 116.67 120.04 2cqw s ASP 67 Ca 0.15 1.03 -0.08 0.00 0.71 0.00 0.00 52.55 54.36 2cqw s ASP 67 Cb -0.22 -2.39 0.06 0.00 1.01 0.00 0.00 42.92 41.38 2cqw s ASP 67 CO -0.06 -0.21 0.37 0.12 0.21 0.00 0.00 175.17 175.59 2cqw s PHE 68 N 1.43 -0.54 -0.30 4.23 2.19 -1.26 -5.13 117.98 118.59 2cqw s PHE 68 Ca 0.34 1.17 -0.15 0.00 0.33 0.00 0.00 56.93 58.62 2cqw s PHE 68 Cb -0.17 0.21 0.17 0.00 -1.31 0.00 0.00 43.02 41.92 2cqw s PHE 68 CO 0.14 -0.33 1.04 0.54 1.83 0.00 0.00 175.22 178.44 2cqw s VAL 69 N 1.49 -0.41 -0.16 3.12 0.11 -1.26 -5.14 120.40 118.15 2cqw s VAL 69 Ca -0.09 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2cqw s VAL 69 Cb -0.09 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.83 2cqw s VAL 69 CO -0.12 0.00 0.18 0.68 -3.33 0.00 0.00 175.10 172.51 2cqw s VAL 70 N 2.54 -0.26 -0.16 2.04 -7.23 -1.26 -5.13 120.40 110.94 2cqw s VAL 70 Ca -0.01 0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 2cqw s VAL 70 Cb -0.07 -0.54 0.05 0.00 0.56 0.00 0.00 36.38 36.38 2cqw s VAL 70 CO -0.16 -0.11 0.39 0.00 -0.31 0.00 0.00 175.10 174.91 2cqw s GLN 71 N 2.28 0.40 0.00 4.82 -2.07 -1.26 -5.15 119.66 118.68 2cqw s GLN 71 Ca 0.05 0.70 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 2cqw s GLN 71 Cb -0.15 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.82 2cqw s GLN 71 CO -0.10 -0.13 0.00 0.72 -1.32 0.00 0.00 175.29 174.47 2cqw n HIS 72 N 3.84 0.00 -2.90 9.60 8.25 -1.26 -5.12 115.22 127.63 2cqw n HIS 72 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.24 2cqw n HIS 72 Cb 0.56 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.67 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 0.00 -1.08 -0.29 2.41 0.20 -1.26 -5.14 118.68 113.52 2cqw s LEU 73 Ca 0.00 -0.90 -0.18 0.00 0.69 0.00 0.00 54.13 53.74 2cqw s LEU 73 Cb 0.00 1.40 0.14 0.00 -0.43 0.00 0.00 46.19 47.30 2cqw s LEU 73 CO 0.00 -0.08 1.01 -0.54 -0.29 0.00 0.00 176.35 176.45 2cqw s LYS 74 N 1.42 0.38 -0.30 1.98 1.02 -1.26 -5.15 119.74 117.83 2cqw s LYS 74 Ca 0.21 0.61 -0.17 0.00 0.02 0.00 0.00 55.97 56.64 2cqw s LYS 74 Cb 0.01 0.10 0.18 0.00 -0.52 0.00 0.00 37.83 37.61 2cqw s LYS 74 CO -0.08 -0.07 1.20 -1.58 -0.92 0.00 0.00 175.35 173.89 2cqw s TRP 75 N 1.08 -0.22 -0.29 3.18 0.23 -1.26 -5.17 118.94 116.50 2cqw s TRP 75 Ca -0.06 0.31 -0.23 0.00 -2.03 0.00 0.00 56.10 54.08 2cqw s TRP 75 Cb -0.04 0.10 0.14 0.00 0.03 0.00 0.00 33.47 33.70 2cqw s TRP 75 CO -0.13 -0.11 1.09 -0.08 0.96 0.00 0.00 176.95 178.67 2cqw s THR 76 N 2.54 0.00 0.00 2.01 -1.32 -1.26 -5.14 115.64 112.47 2cqw s THR 76 Ca -0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2cqw s THR 76 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2cqw s THR 76 CO -0.13 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.61 2cqw n ASP 77 N 2.44 0.00 -3.92 8.08 -0.08 -1.26 -5.18 116.55 116.63 2cqw n ASP 77 Ca -0.13 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.85 2cqw n ASP 77 Cb 0.56 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.24 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 -0.39 0.21 -0.67 0.04 -1.26 -5.10 135.00 127.83 2cqw s PRO 78 Ca 0.00 -0.28 -0.19 0.00 0.04 0.00 0.00 61.00 60.57 2cqw s PRO 78 Cb 0.00 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.86 2cqw s PRO 78 CO 0.00 -3.12 0.59 -1.12 0.04 0.00 0.00 177.00 173.39 2cqw s SER 79 N -4.42 -0.32 -0.32 6.66 0.01 -1.26 -5.14 113.70 108.91 2cqw s SER 79 Ca 0.73 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 57.49 2cqw s SER 79 Cb -0.06 0.62 0.19 0.00 0.21 0.00 0.00 66.02 66.98 2cqw s SER 79 CO 0.55 -1.11 0.96 -0.83 0.41 0.00 0.00 173.24 173.21 2cqw s GLY 80 N -2.86 -1.25 1.03 3.44 0.00 -1.26 -5.17 107.32 101.24 2cqw s GLY 80 Ca 0.08 1.47 -0.17 0.00 0.00 0.00 0.00 44.72 46.10 2cqw s GLY 80 CO -0.02 4.10 1.13 -1.55 0.00 0.00 0.00 173.10 176.77 2cqw n PRO 81 N 4.48 -2.09 -3.63 2.90 -0.04 -1.26 -5.10 135.00 130.27 2cqw n PRO 81 Ca 0.08 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 2cqw n PRO 81 Cb 0.60 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2cqw n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqw s SER 82 N -4.91 -0.09 -0.11 3.54 1.04 -1.26 -5.19 113.70 106.73 2cqw s SER 82 Ca 0.68 -0.15 -0.33 0.00 0.48 0.00 0.00 55.95 56.63 2cqw s SER 82 Cb -0.04 0.20 0.14 0.00 0.10 0.00 0.00 66.02 66.42 2cqw s SER 82 CO 0.50 -0.37 1.32 -0.94 0.98 0.00 0.00 173.24 174.73 2cqw s SER 83 N -2.88 -0.06 0.00 7.02 1.04 -1.26 -5.38 113.70 112.19 2cqw s SER 83 Ca 0.13 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2cqw s SER 83 Cb 0.03 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2cqw s SER 83 CO -0.03 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.61