#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 -0.10 0.42 1.61 1.04 -1.26 -5.16 113.70 110.26 2cqw s SER 2 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2cqw s SER 2 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2cqw s SER 2 CO 0.00 -0.48 0.00 -0.24 0.98 0.00 0.00 173.24 173.50 2cqw n SER 3 N -0.47 -6.11 0.00 7.02 2.88 -1.26 -5.09 113.62 110.59 2cqw n SER 3 Ca -0.08 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2cqw n SER 3 Cb 0.62 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.75 2cqw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqw n GLY 4 N -2.13 0.70 1.57 0.46 0.00 -1.26 -5.13 105.19 99.40 2cqw n GLY 4 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -8.24 -4.58 1.61 2.88 -1.26 -4.64 113.62 99.40 2cqw n SER 5 Ca 0.00 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.27 2cqw n SER 5 Cb 0.00 -4.08 -0.02 0.00 -0.75 0.00 0.00 64.21 59.37 2cqw n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqw s SER 6 N -1.78 6.45 0.27 -3.46 0.15 -1.26 -4.89 113.70 109.19 2cqw s SER 6 Ca 0.00 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.51 2cqw s SER 6 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2cqw s SER 6 CO 0.00 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 173.47 2cqw n GLY 7 N 5.70 1.98 2.71 9.45 0.00 -1.26 -3.51 105.19 120.26 2cqw n GLY 7 Ca 0.46 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.78 2cqw n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2cqw s ILE 8 N 0.00 -0.26 -0.29 -0.61 1.10 -1.26 -5.11 121.20 114.76 2cqw s ILE 8 Ca 0.00 -1.03 -0.29 0.00 -0.51 0.00 0.00 60.65 58.82 2cqw s ILE 8 Cb 0.00 -0.79 -0.00 0.00 0.15 0.00 0.00 42.46 41.81 2cqw s ILE 8 CO 0.00 -0.63 1.34 -2.16 -2.11 0.00 0.00 174.94 171.38 2cqw s PRO 9 N 1.52 3.89 -0.86 3.50 0.04 -1.23 -4.86 135.00 137.01 2cqw s PRO 9 Ca 0.16 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 2cqw s PRO 9 Cb -0.16 -3.90 -0.21 0.00 0.04 0.00 0.00 34.50 30.27 2cqw s PRO 9 CO -0.08 -1.15 2.24 0.41 0.04 0.00 0.00 177.00 178.46 2cqw n GLY 10 N 4.37 -0.42 3.82 0.56 0.00 -1.26 -4.84 105.19 107.42 2cqw n GLY 10 Ca 0.15 0.81 -0.31 0.00 0.00 0.00 0.00 46.02 46.67 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 7.42 2.99 0.08 1.61 0.04 -1.26 -4.93 135.00 140.95 2cqw s PRO 11 Ca 1.16 0.97 -0.36 0.00 0.04 0.00 0.00 61.00 62.81 2cqw s PRO 11 Cb -1.02 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 31.36 2cqw s PRO 11 CO 0.43 -1.06 1.38 0.41 0.04 0.00 0.00 177.00 178.20 2cqw n GLY 12 N -1.93 0.56 2.94 0.56 0.00 -1.26 -4.97 105.19 101.09 2cqw n GLY 12 Ca 0.08 0.70 -0.14 0.00 0.00 0.00 0.00 46.02 46.66 2cqw n GLY 12 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cqw s PHE 13 N 0.64 0.30 0.56 1.61 -0.12 -1.26 -5.15 117.98 114.55 2cqw s PHE 13 Ca 0.84 -0.12 -0.18 0.00 -0.05 0.00 0.00 56.93 57.42 2cqw s PHE 13 Cb -0.92 -0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 41.22 2cqw s PHE 13 CO 0.46 -0.02 1.09 -0.08 -0.05 0.00 0.00 175.22 176.62 2cqw s THR 14 N -0.27 3.44 0.25 -4.49 -1.32 -1.26 -5.01 115.64 106.98 2cqw s THR 14 Ca -0.01 0.82 -0.25 0.00 -1.21 0.00 0.00 61.69 61.04 2cqw s THR 14 Cb -0.02 -3.31 -0.09 0.00 -1.51 0.00 0.00 72.50 67.56 2cqw s THR 14 CO -0.00 -0.27 0.85 0.00 -2.21 0.00 0.00 174.62 172.99 2cqw s ALA 15 N -2.03 3.33 -0.05 11.08 0.00 -1.26 -4.83 121.76 128.00 2cqw s ALA 15 Ca 0.69 0.42 0.05 0.00 0.00 0.00 0.00 51.96 53.12 2cqw s ALA 15 Cb -0.20 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2cqw s ALA 15 CO 0.29 0.24 -0.21 0.20 0.00 0.00 0.00 175.76 176.29 2cqw s GLY 16 N -1.45 1.08 0.58 0.00 0.00 -1.26 -5.02 107.32 101.26 2cqw s GLY 16 Ca 0.44 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 2cqw s GLY 16 CO 0.25 -0.48 0.99 0.00 0.00 0.00 0.00 173.10 173.86 2cqw s ALA 17 N -0.05 3.14 0.26 3.20 0.00 -1.26 -4.15 121.76 122.89 2cqw s ALA 17 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2cqw s ALA 17 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2cqw s ALA 17 CO 0.03 -0.57 0.00 1.04 0.00 0.00 0.00 175.76 176.26 2cqw n GLN 18 N -2.49 -1.75 -2.66 0.00 6.02 -1.26 -4.97 117.38 110.27 2cqw n GLN 18 Ca 0.05 1.27 -0.03 0.00 -0.01 0.00 0.00 57.00 58.28 2cqw n GLN 18 Cb 0.54 -2.10 0.11 0.00 1.02 0.00 0.00 30.24 29.81 2cqw n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cqw n GLY 19 N -3.36 -1.63 3.46 1.08 0.00 -1.26 -4.45 105.19 99.03 2cqw n GLY 19 Ca -0.02 0.93 -0.29 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.17 3.69 -0.48 1.61 0.01 -1.26 -4.79 113.70 112.32 2cqw s SER 20 Ca 0.22 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.91 2cqw s SER 20 Cb 0.27 -0.43 0.39 0.00 0.21 0.00 0.00 66.02 66.46 2cqw s SER 20 CO -0.17 0.17 1.00 0.00 0.41 0.00 0.00 173.24 174.65 2cqw h SER 22 N 2.82 -0.63 0.00 0.00 0.87 -1.96 -3.40 113.55 111.25 2cqw h SER 22 Ca 0.18 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2cqw h SER 22 Cb 0.79 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2cqw h SER 22 CO 0.77 -0.36 -1.53 0.00 -0.53 0.00 0.00 176.83 175.18 2cqw n LEU 23 N -4.47 0.00 0.00 2.23 -0.00 -1.26 -4.84 117.00 108.66 2cqw n LEU 23 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2cqw n LEU 23 Cb 0.29 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2cqw n LEU 23 CO 0.22 0.07 0.00 0.54 -0.00 0.00 0.00 177.39 178.22 2cqw n ARG 24 N -2.01 0.00 -3.64 1.47 1.74 -1.26 -4.80 116.66 108.16 2cqw n ARG 24 Ca -0.06 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.77 2cqw n ARG 24 Cb 0.43 -0.28 0.07 0.00 -1.02 0.00 0.00 32.46 31.66 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 -1.97 -0.86 3.52 0.00 0.00 0.48 -4.87 105.19 101.48 2cqw n GLY 26 Ca 0.01 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.70 -0.09 4.61 0.00 -0.95 -4.88 121.76 119.74 2cqw s ALA 27 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2cqw s ALA 27 Cb 0.00 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.01 2cqw s ALA 27 CO 0.00 -0.80 -0.15 -0.65 0.00 0.00 0.00 175.76 174.17 2cqw s GLN 28 N -3.91 2.09 0.41 0.00 -0.21 -1.26 0.19 119.66 116.96 2cqw s GLN 28 Ca 0.12 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.01 2cqw s GLN 28 Cb -0.00 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.22 2cqw s GLN 28 CO -0.00 -0.02 0.10 0.34 -2.12 0.00 0.00 175.29 173.58 2cqw s ASP 29 N 0.87 2.89 -0.16 5.90 2.15 -0.22 -4.95 116.67 123.15 2cqw s ASP 29 Ca -0.10 -1.62 -0.23 0.00 0.43 0.00 0.00 52.55 51.03 2cqw s ASP 29 Cb -0.15 0.40 -0.21 0.00 -0.30 0.00 0.00 42.92 42.65 2cqw s ASP 29 CO 0.01 -0.86 0.51 1.23 -0.17 0.00 0.00 175.17 175.89 2cqw h GLY 30 N 1.79 0.00 1.19 2.66 0.00 -1.88 -3.35 103.07 103.48 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 0.61 0.00 0.33 -2.00 0.00 0.00 0.00 176.54 175.48 2cqw h LEU 31 N -1.00 0.95 0.00 3.11 5.85 -1.78 -3.47 115.31 118.98 2cqw h LEU 31 Ca -0.10 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2cqw h LEU 31 Cb 0.97 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2cqw h LEU 31 CO -0.06 0.82 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 2cqw s SER 33 N 1.17 -0.75 -0.39 0.00 0.15 0.49 -1.06 113.70 113.31 2cqw s SER 33 Ca 0.00 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.09 2cqw s SER 33 Cb 0.00 1.38 0.65 0.00 -1.71 0.00 0.00 66.02 66.34 2cqw s SER 33 CO 0.00 -0.23 1.81 0.00 1.20 0.00 0.00 173.24 176.02 2cqw s HIS 35 N -3.22 2.92 -1.67 0.00 5.04 -0.14 0.18 115.29 118.40 2cqw s HIS 35 Ca 0.54 -0.09 0.23 0.00 -1.54 0.00 0.00 55.06 54.21 2cqw s HIS 35 Cb 0.46 -1.45 1.26 0.00 0.04 0.00 0.00 32.58 32.89 2cqw s HIS 35 CO 0.09 0.50 1.76 -0.35 -2.34 0.00 0.00 174.74 174.40 2cqw n PRO 36 N 0.16 0.50 -0.02 2.88 -0.04 -1.26 -2.18 135.00 135.04 2cqw n PRO 36 Ca -0.10 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.53 2cqw n PRO 36 Cb 0.54 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.17 0.05 0.55 0.52 -2.24 -1.26 -3.73 114.28 107.00 2cqw n THR 37 Ca 0.14 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2cqw n THR 37 Cb 0.14 0.77 0.45 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.77 0.47 0.00 0.87 -1.80 1.49 113.55 115.35 2cqw h SER 39 Ca 0.00 -0.52 -0.21 0.00 -1.23 0.00 0.00 61.79 59.83 2cqw h SER 39 Cb 0.49 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2cqw h SER 39 CO 0.00 1.14 -0.90 1.23 -0.53 0.00 0.00 176.83 177.77 2cqw h GLY 40 N 0.42 0.32 0.00 5.77 0.00 -1.78 -3.35 103.07 104.45 2cqw h GLY 40 Ca 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2cqw h GLY 40 CO 0.09 0.50 -0.12 1.41 0.00 0.00 0.00 176.54 178.42 2cqw h LEU 41 N 0.16 0.00 0.00 3.11 3.38 -1.47 -3.49 115.31 117.00 2cqw h LEU 41 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2cqw h LEU 41 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2cqw h LEU 41 CO 0.15 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2cqw n GLY 42 N 1.74 1.75 0.98 0.83 0.00 0.51 -5.02 105.19 105.98 2cqw n GLY 42 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.34 2.36 -1.94 2.61 -2.24 -1.04 -5.02 114.28 108.67 2cqw n THR 43 Ca 0.00 -1.96 -0.38 0.00 -2.27 0.00 0.00 64.05 59.44 2cqw n THR 43 Cb 0.00 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.53 0.00 -0.24 0.00 4.81 -1.95 -3.11 114.58 113.57 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 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2cqw h GLU 46 CO 0.61 0.49 0.00 -0.40 -0.73 0.00 0.00 179.01 178.99 2cqw n ASP 47 N -3.32 3.14 -0.03 1.04 5.68 -1.26 -4.60 116.55 117.20 2cqw n ASP 47 Ca 0.01 -2.52 -0.13 0.00 -0.50 0.00 0.00 54.79 51.65 2cqw n ASP 47 Cb 0.68 -0.35 -0.08 0.00 -1.14 0.00 0.00 41.12 40.22 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 1.49 0.21 -0.08 2.11 3.57 -1.87 -1.44 116.94 120.92 2cqw h PHE 48 Ca 0.00 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.25 2cqw h PHE 48 Cb 1.02 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 2cqw h PHE 48 CO 0.29 0.58 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.12 2cqw h LEU 49 N -0.23 0.56 -0.94 0.59 3.38 -1.77 1.59 115.31 118.49 2cqw h LEU 49 Ca 0.02 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2cqw h LEU 49 Cb 0.54 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2cqw h LEU 49 CO 0.02 1.13 0.61 0.44 0.09 0.00 0.00 178.44 180.72 2cqw h ASP 50 N 0.31 1.02 0.51 -0.43 5.19 -1.80 0.75 116.42 121.97 2cqw h ASP 50 Ca -0.04 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 2cqw h ASP 50 Cb 1.34 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 2cqw h ASP 50 CO 0.13 0.70 -1.57 -1.22 -3.12 0.00 0.00 179.24 174.17 2cqw n TYR 51 N -4.49 0.59 -3.18 4.55 4.01 -0.55 -4.44 117.16 113.66 2cqw n TYR 51 Ca 0.12 0.18 -0.24 0.00 -0.16 0.00 0.00 57.90 57.80 2cqw n TYR 51 Cb 0.09 -0.87 -0.05 0.00 -0.31 0.00 0.00 39.34 38.19 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 0.50 3.97 -2.60 0.00 4.77 0.26 -4.22 117.00 119.68 2cqw n LEU 53 Ca 0.27 -2.00 -0.04 0.00 -0.03 0.00 0.00 56.01 54.21 2cqw n LEU 53 Cb 0.48 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 2cqw n LEU 53 CO 0.30 0.79 0.55 1.21 -1.33 0.00 0.00 177.39 178.91 2cqw n GLU 54 N 1.17 1.06 -0.04 3.23 2.13 -1.26 -4.95 120.64 121.98 2cqw n GLU 54 Ca 0.23 -1.35 -0.05 0.00 0.66 0.00 0.00 57.16 56.65 2cqw n GLU 54 Cb 0.70 0.13 -0.06 0.00 0.27 0.00 0.00 31.44 32.48 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 -0.88 0.58 -1.41 6.31 -5.35 -1.26 -4.96 119.36 112.38 2cqw n ILE 55 Ca -0.11 -0.34 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 2cqw n ILE 55 Cb 0.81 -0.79 -0.15 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.38 0.16 -3.61 7.28 4.32 -1.26 -4.69 117.00 116.82 2cqw n LEU 56 Ca -0.14 0.12 -0.41 0.00 -0.02 0.00 0.00 56.01 55.56 2cqw n LEU 56 Cb 0.76 -0.84 -0.03 0.00 -1.62 0.00 0.00 43.42 41.69 2cqw n LEU 56 CO 0.17 -0.72 2.44 -0.81 -1.22 0.00 0.00 177.39 177.25 2cqw n PRO 57 N 7.82 2.22 0.05 3.23 -0.04 -1.26 -4.10 135.00 142.92 2cqw n PRO 57 Ca 0.62 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2cqw n PRO 57 Cb 0.04 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 2cqw n PRO 57 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cqw n SER 58 N 6.45 0.53 -4.65 3.54 3.41 -1.26 -5.02 113.62 116.62 2cqw n SER 58 Ca 0.52 0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.85 2cqw n SER 58 Cb 0.37 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2cqw n SER 58 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cqw n SER 59 N -3.15 4.00 -2.20 4.04 2.88 -1.26 -4.96 113.62 112.98 2cqw n SER 59 Ca 0.00 0.80 -0.02 0.00 -1.33 0.00 0.00 58.87 58.32 2cqw n SER 59 Cb 0.00 -1.52 -0.00 0.00 -0.75 0.00 0.00 64.21 61.94 2cqw n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqw n GLY 60 N 4.73 3.27 3.56 0.46 0.00 -1.26 -5.06 105.19 110.90 2cqw n GLY 60 Ca 0.22 -2.19 -0.51 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.79 1.07 -4.88 1.61 2.88 -1.26 -4.93 113.62 106.32 2cqw n SER 61 Ca -0.00 1.14 -0.32 0.00 -1.33 0.00 0.00 58.87 58.36 2cqw n SER 61 Cb 0.04 -1.16 -0.05 0.00 -0.75 0.00 0.00 64.21 62.30 2cqw n SER 61 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2cqw s MET 62 N -0.19 3.77 0.45 -1.46 -1.94 -1.26 -5.09 119.30 113.59 2cqw s MET 62 Ca 0.77 0.23 -0.05 0.00 -1.71 0.00 0.00 55.69 54.93 2cqw s MET 62 Cb -0.93 -2.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 2cqw s MET 62 CO 0.52 0.32 0.75 1.41 -0.01 0.00 0.00 175.02 178.01 2cqw s MET 63 N -2.86 3.57 0.00 2.03 1.75 -1.26 -4.78 119.30 117.74 2cqw s MET 63 Ca 0.47 0.18 0.00 0.00 -1.25 0.00 0.00 55.69 55.08 2cqw s MET 63 Cb -0.11 -2.42 0.00 0.00 2.84 0.00 0.00 34.83 35.14 2cqw s MET 63 CO 0.22 -0.13 0.00 0.41 -0.65 0.00 0.00 175.02 174.87 2cqw n GLY 64 N -2.03 0.96 2.87 2.11 0.00 -1.26 -4.91 105.19 102.93 2cqw n GLY 64 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 5.35 3.63 -0.02 0.00 -1.26 -4.88 105.19 108.00 2cqw n GLY 65 Ca 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.62 0.60 -0.43 1.61 1.02 -1.26 -5.12 119.74 113.53 2cqw s LYS 66 Ca 0.35 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.65 2cqw s LYS 66 Cb 0.10 0.54 0.12 0.00 -0.52 0.00 0.00 37.83 38.07 2cqw s LYS 66 CO 0.03 -0.17 0.17 0.34 -0.92 0.00 0.00 175.35 174.81 2cqw s ASP 67 N 2.34 4.79 -0.35 2.83 2.15 -1.26 -4.99 116.67 122.17 2cqw s ASP 67 Ca -0.07 -2.43 -0.12 0.00 0.43 0.00 0.00 52.55 50.35 2cqw s ASP 67 Cb -0.09 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 2cqw s ASP 67 CO -0.19 -0.37 0.22 0.12 -0.17 0.00 0.00 175.17 174.78 2cqw s PHE 68 N 0.53 3.22 0.35 -5.34 2.19 -1.26 -5.07 117.98 112.60 2cqw s PHE 68 Ca 0.13 -0.54 0.06 0.00 0.33 0.00 0.00 56.93 56.91 2cqw s PHE 68 Cb -0.22 -2.46 -0.07 0.00 -1.31 0.00 0.00 43.02 38.96 2cqw s PHE 68 CO -0.05 -0.49 -0.01 0.14 1.83 0.00 0.00 175.22 176.64 2cqw s VAL 69 N 1.65 1.72 -0.01 3.12 -7.23 -1.26 -5.16 120.40 113.23 2cqw s VAL 69 Ca 0.05 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 2cqw s VAL 69 Cb -0.18 -2.77 0.08 0.00 0.56 0.00 0.00 36.38 34.07 2cqw s VAL 69 CO 0.08 -0.09 0.73 0.54 -0.31 0.00 0.00 175.10 176.05 2cqw s VAL 70 N -2.94 0.00 -0.07 1.32 0.11 -1.26 -5.18 120.40 112.39 2cqw s VAL 70 Ca 0.34 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.08 2cqw s VAL 70 Cb 0.07 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.00 2cqw s VAL 70 CO 0.16 0.00 0.73 0.00 -3.33 0.00 0.00 175.10 172.66 2cqw s GLN 71 N -2.03 0.99 0.28 1.54 -2.07 -1.26 -5.18 119.66 111.92 2cqw s GLN 71 Ca -0.05 0.24 -0.16 0.00 -1.82 0.00 0.00 55.36 53.57 2cqw s GLN 71 Cb -0.00 0.47 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2cqw s GLN 71 CO 0.01 -0.31 0.61 -1.58 -1.32 0.00 0.00 175.29 172.70 2cqw s HIS 72 N -1.20 0.14 -0.22 9.60 2.46 -1.26 -5.18 115.29 119.63 2cqw s HIS 72 Ca -0.09 -0.56 -0.29 0.00 0.47 0.00 0.00 55.06 54.58 2cqw s HIS 72 Cb -0.00 0.45 0.16 0.00 -0.13 0.00 0.00 32.58 33.06 2cqw s HIS 72 CO 0.08 -1.15 1.18 -1.17 -2.47 0.00 0.00 174.74 171.21 2cqw s LEU 73 N -2.99 -0.21 -0.22 8.88 2.96 -1.26 -5.18 118.68 120.66 2cqw s LEU 73 Ca 0.17 0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 54.05 2cqw s LEU 73 Cb -0.03 1.48 0.09 0.00 0.50 0.00 0.00 46.19 48.23 2cqw s LEU 73 CO 0.09 -0.19 0.82 -0.75 -1.32 0.00 0.00 176.35 175.00 2cqw s LYS 74 N -1.03 0.78 -0.13 1.98 2.20 -1.26 -5.17 119.74 117.11 2cqw s LYS 74 Ca 0.03 0.67 -0.27 0.00 -0.36 0.00 0.00 55.97 56.04 2cqw s LYS 74 Cb -0.01 0.37 0.07 0.00 -1.51 0.00 0.00 37.83 36.75 2cqw s LYS 74 CO -0.03 -0.14 0.66 -1.58 -0.36 0.00 0.00 175.35 173.90 2cqw s TRP 75 N -0.11 -0.67 0.24 4.03 0.23 -1.26 -5.18 118.94 116.22 2cqw s TRP 75 Ca -0.02 1.36 -0.18 0.00 -2.03 0.00 0.00 56.10 55.24 2cqw s TRP 75 Cb -0.04 0.33 0.02 0.00 0.03 0.00 0.00 33.47 33.82 2cqw s TRP 75 CO 0.01 -0.50 0.58 -0.08 0.96 0.00 0.00 176.95 177.91 2cqw s THR 76 N -0.60 0.01 -0.30 2.01 -1.32 -1.26 -5.15 115.64 109.04 2cqw s THR 76 Ca -0.07 -0.99 -0.09 0.00 -1.21 0.00 0.00 61.69 59.32 2cqw s THR 76 Cb -0.02 -1.86 0.19 0.00 -1.51 0.00 0.00 72.50 69.29 2cqw s THR 76 CO 0.06 -0.04 0.99 1.51 -2.21 0.00 0.00 174.62 174.93 2cqw s ASP 77 N -2.92 -0.56 1.00 8.08 -4.77 -1.26 -5.17 116.67 111.07 2cqw s ASP 77 Ca 0.13 0.06 -0.15 0.00 -3.30 0.00 0.00 52.55 49.29 2cqw s ASP 77 Cb -0.03 1.35 0.19 0.00 -1.09 0.00 0.00 42.92 43.34 2cqw s ASP 77 CO 0.03 -0.10 1.18 -2.16 0.70 0.00 0.00 175.17 174.82 2cqw s PRO 78 N 2.93 0.41 0.26 2.11 0.04 -1.26 -5.10 135.00 134.40 2cqw s PRO 78 Ca 0.26 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 2cqw s PRO 78 Cb -0.03 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2cqw s PRO 78 CO -0.23 -2.64 0.51 -1.12 0.04 0.00 0.00 177.00 173.56 2cqw s SER 79 N -4.23 -0.04 0.00 6.66 0.01 -1.26 -5.15 113.70 109.70 2cqw s SER 79 Ca 0.68 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2cqw s SER 79 Cb -0.11 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2cqw s SER 79 CO 0.54 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.61 2cqw n GLY 80 N -0.41 -0.89 3.72 3.44 0.00 -1.26 -5.18 105.19 104.63 2cqw n GLY 80 Ca -0.02 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.23 0.04 1.61 -0.04 -1.26 -5.04 135.00 128.08 2cqw n PRO 81 Ca 0.00 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 2cqw n PRO 81 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 2cqw n PRO 81 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqw n SER 82 N -4.37 0.09 -1.48 3.54 7.64 -1.26 -5.16 113.62 112.61 2cqw n SER 82 Ca 0.16 0.14 0.16 0.00 1.01 0.00 0.00 58.87 60.35 2cqw n SER 82 Cb 0.59 0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 2cqw n SER 82 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cqw n SER 83 N -2.97 -8.03 0.00 6.43 2.88 -1.26 -5.40 113.62 105.28 2cqw n SER 83 Ca 0.00 1.53 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 2cqw n SER 83 Cb 0.10 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.48 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42