#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 -0.17 0.11 1.61 0.01 -1.26 -5.19 113.70 108.81 2cqw s SER 2 Ca 0.00 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 56.71 2cqw s SER 2 Cb 0.00 0.40 0.08 0.00 0.21 0.00 0.00 66.02 66.71 2cqw s SER 2 CO 0.00 -0.73 1.05 -0.55 0.41 0.00 0.00 173.24 173.42 2cqw s SER 3 N -2.87 -0.13 -0.11 2.44 0.15 -1.26 -4.96 113.70 106.95 2cqw s SER 3 Ca 0.12 -0.35 -0.31 0.00 0.70 0.00 0.00 55.95 56.10 2cqw s SER 3 Cb -0.00 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.84 2cqw s SER 3 CO -0.01 -0.75 1.03 -0.83 1.20 0.00 0.00 173.24 173.88 2cqw s GLY 4 N -2.99 -0.34 -0.16 9.45 0.00 -1.26 -5.02 107.32 107.00 2cqw s GLY 4 Ca 0.13 1.53 -0.30 0.00 0.00 0.00 0.00 44.72 46.08 2cqw s GLY 4 CO 0.01 0.61 0.99 -1.35 0.00 0.00 0.00 173.10 173.35 2cqw s SER 5 N -1.98 -0.38 0.00 1.64 1.04 -1.26 -4.84 113.70 107.93 2cqw s SER 5 Ca 0.05 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2cqw s SER 5 Cb -0.01 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2cqw s SER 5 CO -0.05 -0.34 0.00 -1.54 0.98 0.00 0.00 173.24 172.29 2cqw n SER 6 N 0.78 0.00 0.00 7.02 3.41 -1.26 -5.18 113.62 118.40 2cqw n SER 6 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2cqw n SER 6 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2cqw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqw n GLY 7 N -0.05 3.82 2.54 5.00 0.00 -1.26 -5.11 105.19 110.13 2cqw n GLY 7 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2cqw n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cqw s ILE 8 N -0.25 0.01 1.07 -0.61 1.09 -1.26 -5.14 121.20 116.10 2cqw s ILE 8 Ca 0.00 -1.59 -0.17 0.00 -1.10 0.00 0.00 60.65 57.79 2cqw s ILE 8 Cb 0.00 -0.98 0.23 0.00 -1.06 0.00 0.00 42.46 40.65 2cqw s ILE 8 CO 0.00 -0.89 1.21 -2.16 -0.10 0.00 0.00 174.94 173.01 2cqw s PRO 9 N 1.07 -0.15 0.11 2.79 0.04 -1.26 -5.10 135.00 132.49 2cqw s PRO 9 Ca 0.19 -0.20 -0.22 0.00 0.04 0.00 0.00 61.00 60.81 2cqw s PRO 9 Cb -0.18 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.69 2cqw s PRO 9 CO -0.02 -2.98 0.54 0.20 0.04 0.00 0.00 177.00 174.79 2cqw s GLY 10 N -4.38 -0.50 1.09 0.56 0.00 -1.26 -5.18 107.32 97.66 2cqw s GLY 10 Ca 0.72 0.46 -0.18 0.00 0.00 0.00 0.00 44.72 45.71 2cqw s GLY 10 CO 0.54 0.15 1.23 2.56 0.00 0.00 0.00 173.10 177.58 2cqw s PRO 11 N -3.29 -0.38 0.00 2.90 0.04 -1.26 -5.09 135.00 127.92 2cqw s PRO 11 Ca -0.01 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.74 2cqw s PRO 11 Cb -0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2cqw s PRO 11 CO -0.09 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.25 2cqw n GLY 12 N -2.42 1.72 3.54 0.56 0.00 -1.26 -5.19 105.19 102.14 2cqw n GLY 12 Ca 0.15 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 0.51 0.00 1.61 5.36 -1.26 -5.06 117.98 119.15 2cqw s PHE 13 Ca 0.00 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 2cqw s PHE 13 Cb 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 2cqw s PHE 13 CO 0.00 -0.98 0.00 -2.37 -1.46 0.00 0.00 175.22 170.41 2cqw n THR 14 N -0.39 0.00 -0.96 0.12 5.66 -1.26 -5.17 114.28 112.28 2cqw n THR 14 Ca -0.01 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.11 2cqw n THR 14 Cb 0.62 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 2cqw n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cqw n ALA 15 N -1.57 -2.52 0.00 1.79 0.00 -1.26 -5.08 120.51 111.86 2cqw n ALA 15 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2cqw n ALA 15 Cb 0.00 -1.01 0.00 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 -3.63 0.87 3.59 0.00 0.00 -1.26 -5.02 105.19 99.73 2cqw n GLY 16 Ca -0.05 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.20 2.85 0.17 4.61 0.00 -1.26 -4.89 121.76 122.03 2cqw s ALA 17 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 2cqw s ALA 17 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 23.12 19.11 2cqw s ALA 17 CO 0.00 -2.74 0.37 0.00 0.00 0.00 0.00 175.76 173.40 2cqw n GLN 18 N 8.42 0.50 0.00 0.00 10.64 -1.26 -5.07 117.38 130.62 2cqw n GLN 18 Ca 0.18 -0.99 0.00 0.00 -1.83 0.00 0.00 57.00 54.36 2cqw n GLN 18 Cb 0.48 1.25 0.00 0.00 -0.86 0.00 0.00 30.24 31.11 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 -0.25 0.71 3.28 2.61 0.00 -1.26 -4.94 105.19 105.34 2cqw n GLY 19 Ca -0.04 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.55 2.48 -0.28 1.61 0.01 -1.26 -4.70 113.70 111.00 2cqw s SER 20 Ca 0.00 -0.71 0.14 0.00 1.31 0.00 0.00 55.95 56.68 2cqw s SER 20 Cb 0.00 -0.13 0.48 0.00 0.21 0.00 0.00 66.02 66.58 2cqw s SER 20 CO 0.00 0.03 1.15 0.00 0.41 0.00 0.00 173.24 174.82 2cqw h SER 22 N 2.39 -0.14 -1.06 0.00 4.64 -1.93 -3.33 113.55 114.11 2cqw h SER 22 Ca 0.15 -0.42 -0.62 0.00 -0.47 0.00 0.00 61.79 60.43 2cqw h SER 22 Cb 1.40 0.04 -0.37 0.00 -0.31 0.00 0.00 62.40 63.16 2cqw h SER 22 CO 0.52 0.44 -0.04 0.00 -0.87 0.00 0.00 176.83 176.88 2cqw n LEU 23 N -4.88 6.11 0.00 5.97 -0.00 -1.26 -4.80 117.00 118.13 2cqw n LEU 23 Ca -0.08 -4.66 0.00 0.00 -0.00 0.00 0.00 56.01 51.27 2cqw n LEU 23 Cb 0.28 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 2cqw n LEU 23 CO 0.27 1.87 0.00 0.54 -0.00 0.00 0.00 177.39 180.07 2cqw n ARG 24 N -0.73 0.00 -3.64 1.47 1.74 -1.25 -5.01 116.66 109.24 2cqw n ARG 24 Ca 0.51 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.34 2cqw n ARG 24 Cb 0.75 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.26 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 -0.98 3.56 0.00 0.00 0.24 -4.89 105.19 101.14 2cqw n GLY 26 Ca 0.01 0.37 -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 -1.00 -0.09 4.61 0.00 -1.07 -4.88 121.76 119.33 2cqw s ALA 27 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2cqw s ALA 27 Cb 0.00 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2cqw s ALA 27 CO 0.00 -0.83 -0.15 -0.65 0.00 0.00 0.00 175.76 174.13 2cqw s GLN 28 N -3.88 2.08 0.42 0.00 -0.21 -1.26 0.19 119.66 117.00 2cqw s GLN 28 Ca 0.09 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 54.99 2cqw s GLN 28 Cb -0.02 -1.75 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 2cqw s GLN 28 CO -0.02 -0.02 0.11 0.34 -2.12 0.00 0.00 175.29 173.57 2cqw s ASP 29 N 0.87 2.97 -0.12 5.90 2.15 -0.26 -4.95 116.67 123.23 2cqw s ASP 29 Ca -0.10 -1.66 -0.11 0.00 0.43 0.00 0.00 52.55 51.12 2cqw s ASP 29 Cb -0.15 0.47 -0.09 0.00 -0.30 0.00 0.00 42.92 42.85 2cqw s ASP 29 CO 0.01 -0.90 0.23 1.23 -0.17 0.00 0.00 175.17 175.57 2cqw h GLY 30 N 1.74 0.00 0.86 2.66 0.00 -2.00 -3.37 103.07 102.96 2cqw h GLY 30 Ca -0.37 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2cqw h GLY 30 CO 0.60 0.00 0.18 1.41 0.00 0.00 0.00 176.54 178.73 2cqw h LEU 31 N -1.00 0.28 0.00 3.11 4.07 -1.95 -3.46 115.31 116.36 2cqw h LEU 31 Ca -0.02 0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2cqw h LEU 31 Cb 0.43 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 2cqw h LEU 31 CO -0.01 0.21 -0.11 0.00 -1.08 0.00 0.00 178.44 177.44 2cqw s SER 33 N -2.01 -0.36 -0.28 0.00 0.15 0.52 -1.10 113.70 110.63 2cqw s SER 33 Ca 0.15 0.68 0.12 0.00 0.70 0.00 0.00 55.95 57.59 2cqw s SER 33 Cb -0.00 0.65 0.73 0.00 -1.71 0.00 0.00 66.02 65.70 2cqw s SER 33 CO 0.11 -0.13 1.72 0.00 1.20 0.00 0.00 173.24 176.14 2cqw s HIS 35 N -2.92 3.49 -2.00 0.00 5.04 0.49 0.81 115.29 120.20 2cqw s HIS 35 Ca 0.53 0.22 0.24 0.00 -1.54 0.00 0.00 55.06 54.50 2cqw s HIS 35 Cb 0.42 -1.74 1.44 0.00 0.04 0.00 0.00 32.58 32.73 2cqw s HIS 35 CO 0.13 0.51 1.80 -0.35 -2.34 0.00 0.00 174.74 174.49 2cqw n PRO 36 N -0.32 0.75 0.00 2.88 -0.04 -1.26 -2.09 135.00 134.93 2cqw n PRO 36 Ca -0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 2cqw n PRO 36 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2cqw n PRO 36 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2cqw n THR 37 N -1.00 0.00 0.22 0.52 -1.04 -1.26 -4.07 114.28 107.66 2cqw n THR 37 Ca 0.18 -0.01 0.17 0.00 -2.04 0.00 0.00 64.05 62.36 2cqw n THR 37 Cb 0.08 0.70 0.77 0.00 -1.82 0.00 0.00 70.33 70.06 2cqw n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cqw h SER 39 N 0.00 0.55 0.67 0.00 0.02 -1.81 1.47 113.55 114.45 2cqw h SER 39 Ca 0.09 -0.47 -0.19 0.00 -0.84 0.00 0.00 61.79 60.38 2cqw h SER 39 Cb 0.89 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2cqw h SER 39 CO -0.00 0.91 -0.87 1.23 -1.14 0.00 0.00 176.83 176.96 2cqw h GLY 40 N 0.20 0.15 0.00 -3.77 0.00 -0.32 -3.34 103.07 95.99 2cqw h GLY 40 Ca 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2cqw h GLY 40 CO 0.05 0.23 -0.07 1.41 0.00 0.00 0.00 176.54 178.16 2cqw h LEU 41 N 0.07 0.00 0.00 3.11 3.38 -0.66 -3.49 115.31 117.72 2cqw h LEU 41 Ca -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2cqw h LEU 41 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2cqw h LEU 41 CO 0.13 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2cqw n GLY 42 N 1.73 1.86 2.16 0.83 0.00 0.50 -5.03 105.19 107.24 2cqw n GLY 42 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.60 2.55 -2.60 2.61 -2.24 -0.99 -5.03 114.28 107.97 2cqw n THR 43 Ca 0.00 -4.35 -0.35 0.00 -2.27 0.00 0.00 64.05 57.08 2cqw n THR 43 Cb 0.00 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.01 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 1.10 0.00 -0.21 0.00 4.57 -1.96 -2.46 114.58 115.63 2cqw h GLU 46 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2cqw h GLU 46 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2cqw h GLU 46 CO 0.63 0.33 0.00 -0.40 -1.18 0.00 0.00 179.01 178.39 2cqw n ASP 47 N -3.82 3.31 -0.02 1.04 5.68 -1.26 -4.64 116.55 116.84 2cqw n ASP 47 Ca -0.01 -2.79 -0.12 0.00 -0.50 0.00 0.00 54.79 51.37 2cqw n ASP 47 Cb 0.41 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.89 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 1.39 0.16 -0.06 2.11 3.57 -1.79 -0.83 116.94 121.50 2cqw h PHE 48 Ca 0.00 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 2cqw h PHE 48 Cb 1.18 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2cqw h PHE 48 CO 0.33 0.34 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.91 2cqw h LEU 49 N -0.07 0.44 -1.23 0.59 3.38 -1.76 1.57 115.31 118.24 2cqw h LEU 49 Ca 0.03 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2cqw h LEU 49 Cb 0.26 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2cqw h LEU 49 CO 0.00 1.05 0.53 0.44 0.09 0.00 0.00 178.44 180.56 2cqw h ASP 50 N 0.24 0.87 0.12 -0.43 5.19 -1.80 0.39 116.42 120.99 2cqw h ASP 50 Ca -0.04 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 2cqw h ASP 50 Cb 1.35 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2cqw h ASP 50 CO 0.13 0.60 -1.90 -1.22 -3.12 0.00 0.00 179.24 173.73 2cqw n TYR 51 N -4.45 0.12 -3.19 4.55 4.01 -0.33 -4.52 117.16 113.35 2cqw n TYR 51 Ca 0.10 0.03 -0.25 0.00 -0.16 0.00 0.00 57.90 57.63 2cqw n TYR 51 Cb 0.11 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 38.50 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 0.54 6.07 -1.77 0.00 4.77 0.13 -4.24 117.00 122.51 2cqw n LEU 53 Ca 0.27 -3.58 -0.01 0.00 -0.03 0.00 0.00 56.01 52.67 2cqw n LEU 53 Cb 0.48 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2cqw n LEU 53 CO 0.30 1.05 0.34 1.21 -1.33 0.00 0.00 177.39 178.96 2cqw n GLU 54 N -0.98 0.22 -0.04 3.23 2.13 -1.26 -4.98 120.64 118.95 2cqw n GLU 54 Ca 0.51 -0.24 -0.03 0.00 0.66 0.00 0.00 57.16 58.05 2cqw n GLU 54 Cb 1.49 0.06 -0.08 0.00 0.27 0.00 0.00 31.44 33.19 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 -0.28 0.57 -1.13 6.31 -5.35 -1.26 -5.03 119.36 113.20 2cqw n ILE 55 Ca -0.05 -0.38 -0.36 0.00 -0.27 0.00 0.00 62.75 61.69 2cqw n ILE 55 Cb 0.57 -0.61 0.07 0.00 -1.74 0.00 0.00 39.64 37.92 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 -2.29 -1.18 -0.04 7.28 4.77 -1.26 -4.92 117.00 119.36 2cqw n LEU 56 Ca -0.14 0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 2cqw n LEU 56 Cb 0.74 -1.08 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2cqw n LEU 56 CO 0.21 -3.95 0.51 1.55 -1.33 0.00 0.00 177.39 174.37 2cqw h PRO 57 N -0.66 0.00 -6.06 3.23 0.13 -2.00 -3.46 132.00 123.19 2cqw h PRO 57 Ca -0.44 -0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.99 2cqw h PRO 57 Cb 1.34 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.56 2cqw h PRO 57 CO 0.37 0.75 -0.27 -1.13 -0.23 0.00 0.00 178.00 177.49 2cqw n SER 58 N -4.73 -0.56 0.05 1.44 3.41 -1.26 -4.65 113.62 107.32 2cqw n SER 58 Ca -0.09 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2cqw n SER 58 Cb 0.37 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 1.83 -0.94 0.00 4.04 2.88 -1.26 -5.05 113.62 115.11 2cqw n SER 59 Ca 0.18 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 2cqw n SER 59 Cb 0.21 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.91 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 -1.11 0.28 3.49 0.46 0.00 -1.26 -5.17 105.19 101.89 2cqw n GLY 60 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 -0.77 0.22 1.61 0.01 -1.26 -5.17 113.70 108.34 2cqw s SER 61 Ca 0.00 1.30 0.04 0.00 1.31 0.00 0.00 55.95 58.60 2cqw s SER 61 Cb 0.00 1.55 -0.05 0.00 0.21 0.00 0.00 66.02 67.72 2cqw s SER 61 CO 0.00 -0.22 -0.02 -0.04 0.41 0.00 0.00 173.24 173.37 2cqw s MET 62 N 2.20 1.30 -0.09 12.44 -1.94 -1.26 -5.13 119.30 126.81 2cqw s MET 62 Ca -0.07 -1.64 -0.22 0.00 -1.71 0.00 0.00 55.69 52.04 2cqw s MET 62 Cb -0.09 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 36.08 2cqw s MET 62 CO -0.17 -0.06 0.67 1.41 -0.01 0.00 0.00 175.02 176.86 2cqw s MET 63 N -3.84 4.39 0.00 2.03 1.75 -1.26 -4.87 119.30 117.50 2cqw s MET 63 Ca 0.27 0.80 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 2cqw s MET 63 Cb 0.05 -3.47 0.00 0.00 2.84 0.00 0.00 34.83 34.26 2cqw s MET 63 CO 0.07 0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 2cqw n GLY 64 N 3.22 -0.40 3.61 2.11 0.00 -1.26 -5.17 105.19 107.30 2cqw n GLY 64 Ca -0.02 0.47 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 2cqw n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cqw s GLY 65 N -0.00 2.09 0.15 -0.02 0.00 -1.26 -5.15 107.32 103.12 2cqw s GLY 65 Ca 0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 44.72 42.73 2cqw s GLY 65 CO 0.00 -1.93 0.04 0.54 0.00 0.00 0.00 173.10 171.76 2cqw s LYS 66 N -3.69 1.00 0.36 2.90 1.02 -1.26 -5.16 119.74 114.90 2cqw s LYS 66 Ca 0.34 -1.48 0.09 0.00 0.02 0.00 0.00 55.97 54.94 2cqw s LYS 66 Cb 0.00 0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.33 2cqw s LYS 66 CO 0.19 -0.23 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.82 2cqw s ASP 67 N -3.09 3.68 0.33 2.83 1.11 -1.26 -5.15 116.67 115.12 2cqw s ASP 67 Ca 0.25 -1.25 0.02 0.00 0.18 0.00 0.00 52.55 51.75 2cqw s ASP 67 Cb 0.07 -0.35 -0.03 0.00 1.07 0.00 0.00 42.92 43.69 2cqw s ASP 67 CO 0.03 -0.29 0.51 0.12 1.18 0.00 0.00 175.17 176.72 2cqw s PHE 68 N -2.68 3.43 0.15 4.23 5.36 -1.26 -5.12 117.98 122.09 2cqw s PHE 68 Ca 0.33 0.20 0.09 0.00 -0.96 0.00 0.00 56.93 56.59 2cqw s PHE 68 Cb 0.05 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 2cqw s PHE 68 CO 0.17 0.13 -0.21 0.54 -1.46 0.00 0.00 175.22 174.39 2cqw s VAL 69 N -2.25 1.90 0.52 3.12 0.11 -1.26 -5.14 120.40 117.40 2cqw s VAL 69 Ca 0.40 -1.81 -0.04 0.00 -2.93 0.00 0.00 61.98 57.60 2cqw s VAL 69 Cb -0.09 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 2cqw s VAL 69 CO 0.34 -0.17 0.80 0.54 -3.33 0.00 0.00 175.10 173.28 2cqw s VAL 70 N -1.64 4.14 0.38 2.04 0.11 -1.26 -5.11 120.40 119.07 2cqw s VAL 70 Ca 0.13 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 2cqw s VAL 70 Cb -0.08 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 31.11 2cqw s VAL 70 CO 0.06 -0.55 0.02 0.00 -3.33 0.00 0.00 175.10 171.31 2cqw s GLN 71 N -4.79 1.86 0.26 1.54 -2.07 -1.26 -5.16 119.66 110.04 2cqw s GLN 71 Ca 0.50 -2.05 -0.01 0.00 -1.82 0.00 0.00 55.36 51.98 2cqw s GLN 71 Cb -0.10 -1.40 -0.03 0.00 -1.09 0.00 0.00 33.01 30.39 2cqw s GLN 71 CO 0.43 -0.09 0.27 -1.58 -1.32 0.00 0.00 175.29 173.00 2cqw s HIS 72 N -2.89 1.16 0.86 9.60 2.46 -1.26 -5.17 115.29 120.05 2cqw s HIS 72 Ca 0.35 -1.33 -0.11 0.00 0.47 0.00 0.00 55.06 54.44 2cqw s HIS 72 Cb 0.10 -0.41 0.15 0.00 -0.13 0.00 0.00 32.58 32.29 2cqw s HIS 72 CO 0.17 -0.83 1.19 -0.51 -2.47 0.00 0.00 174.74 172.30 2cqw s LEU 73 N -3.20 2.76 0.26 8.88 1.43 -1.26 -4.94 118.68 122.61 2cqw s LEU 73 Ca 0.36 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2cqw s LEU 73 Cb 0.04 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2cqw s LEU 73 CO 0.16 -2.29 0.00 0.29 0.23 0.00 0.00 176.35 174.75 2cqw n LYS 74 N -3.39 -2.12 -1.76 1.70 5.02 -1.26 -5.03 118.16 111.31 2cqw n LYS 74 Ca 0.13 1.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.85 2cqw n LYS 74 Cb 0.60 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 2cqw n LYS 74 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2cqw n TRP 75 N -3.40 -4.20 -4.00 2.13 5.03 -1.26 -5.01 117.44 106.74 2cqw n TRP 75 Ca 0.00 2.44 -0.22 0.00 3.03 0.00 0.00 57.50 62.75 2cqw n TRP 75 Cb 0.48 -3.42 -0.03 0.00 -1.03 0.00 0.00 31.31 27.31 2cqw n TRP 75 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 2cqw s THR 76 N -0.81 5.09 0.36 -0.99 2.01 -1.26 -5.08 115.64 114.97 2cqw s THR 76 Ca 0.00 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 60.71 2cqw s THR 76 Cb 0.00 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 2cqw s THR 76 CO 0.00 -0.29 1.18 -0.62 -0.69 0.00 0.00 174.62 174.20 2cqw s ASP 77 N -3.82 6.72 1.10 3.53 -1.08 -1.26 -5.03 116.67 116.83 2cqw s ASP 77 Ca 0.34 2.40 -0.15 0.00 -0.52 0.00 0.00 52.55 54.62 2cqw s ASP 77 Cb -0.09 -2.62 0.21 0.00 -1.46 0.00 0.00 42.92 38.96 2cqw s ASP 77 CO 0.28 -0.54 0.98 -0.81 0.52 0.00 0.00 175.17 175.60 2cqw n PRO 78 N 0.45 -1.88 -2.90 4.34 -0.04 -1.26 -5.08 135.00 128.62 2cqw n PRO 78 Ca 0.02 -1.54 -0.19 0.00 -0.04 0.00 0.00 63.50 61.76 2cqw n PRO 78 Cb 0.45 -1.21 0.03 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.41 5.46 0.24 3.54 0.01 -1.26 -5.13 113.70 112.16 2cqw s SER 79 Ca 0.59 -0.35 0.10 0.00 1.31 0.00 0.00 55.95 57.60 2cqw s SER 79 Cb -0.04 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2cqw s SER 79 CO 0.43 -0.96 -0.07 -0.83 0.41 0.00 0.00 173.24 172.22 2cqw s GLY 80 N -4.41 1.72 0.64 3.44 0.00 -1.26 -5.14 107.32 102.31 2cqw s GLY 80 Ca 0.57 -1.65 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 2cqw s GLY 80 CO 0.35 -1.71 0.70 -1.55 0.00 0.00 0.00 173.10 170.90 2cqw n PRO 81 N -0.57 -1.49 -4.06 2.90 -0.04 -1.26 -4.50 135.00 125.98 2cqw n PRO 81 Ca -0.07 -1.10 -0.09 0.00 -0.04 0.00 0.00 63.50 62.19 2cqw n PRO 81 Cb 0.58 -0.87 -0.09 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.52 0.24 0.33 3.54 1.04 -1.26 -4.90 113.70 109.16 2cqw s SER 82 Ca 0.42 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2cqw s SER 82 Cb -0.03 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2cqw s SER 82 CO 0.31 -0.76 0.00 -0.24 0.98 0.00 0.00 173.24 173.53 2cqw n SER 83 N -0.09 -4.80 0.00 7.02 2.88 -1.26 -5.14 113.62 112.22 2cqw n SER 83 Ca -0.08 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2cqw n SER 83 Cb 0.63 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 61.27 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42