#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 0.00 -4.28 1.61 2.88 -1.26 -5.19 113.62 107.39 2cqw n SER 2 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 2cqw n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2cqw n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqw s SER 3 N 0.00 1.83 0.31 -3.46 0.01 -1.26 -5.18 113.70 105.95 2cqw s SER 3 Ca 0.00 -1.45 0.06 0.00 1.31 0.00 0.00 55.95 55.87 2cqw s SER 3 Cb 0.00 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2cqw s SER 3 CO 0.00 -0.75 0.26 -0.83 0.41 0.00 0.00 173.24 172.33 2cqw s GLY 4 N -3.42 2.17 0.24 3.44 0.00 -1.26 -5.18 107.32 103.32 2cqw s GLY 4 Ca 0.35 -2.01 -0.16 0.00 0.00 0.00 0.00 44.72 42.91 2cqw s GLY 4 CO 0.15 -1.45 0.55 -0.45 0.00 0.00 0.00 173.10 171.90 2cqw s SER 5 N -3.34 -0.17 0.39 1.64 0.15 -1.26 -5.18 113.70 105.94 2cqw s SER 5 Ca 0.40 -0.75 0.08 0.00 0.70 0.00 0.00 55.95 56.38 2cqw s SER 5 Cb 0.03 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2cqw s SER 5 CO 0.25 -1.18 0.23 -0.55 1.20 0.00 0.00 173.24 173.19 2cqw s SER 6 N -2.96 4.70 0.00 5.45 0.15 -1.26 -5.08 113.70 114.70 2cqw s SER 6 Ca 0.17 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2cqw s SER 6 Cb -0.02 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2cqw s SER 6 CO 0.06 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2cqw n GLY 7 N -1.30 0.92 2.49 9.45 0.00 -1.26 -5.12 105.19 110.37 2cqw n GLY 7 Ca -0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.12 2cqw n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cqw n ILE 8 N 8.15-10.19 -0.02 -0.61 5.41 -1.26 -4.96 119.36 115.88 2cqw n ILE 8 Ca 0.00 1.50 -0.16 0.00 1.00 0.00 0.00 62.75 65.09 2cqw n ILE 8 Cb 0.00 -6.40 -0.11 0.00 -0.71 0.00 0.00 39.64 32.42 2cqw n ILE 8 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2cqw h PRO 9 N 2.47 0.30 0.00 0.38 0.13 -2.07 -3.50 132.00 129.71 2cqw h PRO 9 Ca 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2cqw h PRO 9 Cb 0.01 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2cqw h PRO 9 CO 0.08 0.98 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 2cqw n GLY 10 N 0.94 2.40 0.00 1.56 0.00 -1.26 -5.08 105.19 103.75 2cqw n GLY 10 Ca -0.09 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 1.02 -0.11 -3.44 1.61 -0.04 -1.26 -4.98 135.00 127.79 2cqw n PRO 11 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2cqw n PRO 11 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2cqw n PRO 11 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2cqw s GLY 12 N -2.30 3.09 -0.23 0.55 0.00 -1.26 -4.97 107.32 102.20 2cqw s GLY 12 Ca 0.00 -3.76 -0.29 0.00 0.00 0.00 0.00 44.72 40.67 2cqw s GLY 12 CO 0.00 1.27 1.20 -0.12 0.00 0.00 0.00 173.10 175.45 2cqw s PHE 13 N -1.06 -0.19 0.24 1.90 2.19 -1.26 -5.10 117.98 114.69 2cqw s PHE 13 Ca 0.28 0.35 0.00 0.00 0.33 0.00 0.00 56.93 57.89 2cqw s PHE 13 Cb -0.10 0.47 0.00 0.00 -1.31 0.00 0.00 43.02 42.08 2cqw s PHE 13 CO -0.09 -0.17 0.00 2.41 1.83 0.00 0.00 175.22 179.20 2cqw n THR 14 N 0.75 0.00 -3.87 0.12 -1.04 -1.26 -5.07 114.28 103.91 2cqw n THR 14 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 2cqw n THR 14 Cb 0.58 -0.30 0.01 0.00 -1.82 0.00 0.00 70.33 68.80 2cqw n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cqw n ALA 15 N -3.21 -2.73 0.05 2.41 0.00 -1.26 -4.88 120.51 110.89 2cqw n ALA 15 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2cqw n ALA 15 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.81 -0.08 2.89 0.00 0.00 -1.26 -5.09 105.19 99.84 2cqw n GLY 16 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.34 -2.68 -4.07 4.61 0.00 -1.26 -5.05 120.51 108.72 2cqw n ALA 17 Ca 0.00 0.46 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 2cqw n ALA 17 Cb 0.10 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 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 -1.15 1.07 0.00 0.00 10.64 -1.26 -5.00 117.38 121.69 2cqw n GLN 18 Ca 0.05 -2.29 0.00 0.00 -1.83 0.00 0.00 57.00 52.93 2cqw n GLN 18 Cb 0.47 0.41 0.00 0.00 -0.86 0.00 0.00 30.24 30.27 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 0.90 0.71 3.23 2.61 0.00 -1.26 -4.94 105.19 106.44 2cqw n GLY 19 Ca -0.07 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.25 2.10 -0.50 1.61 0.01 -1.26 -4.86 113.70 110.54 2cqw s SER 20 Ca 0.00 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 56.65 2cqw s SER 20 Cb 0.00 -0.09 0.37 0.00 0.21 0.00 0.00 66.02 66.51 2cqw s SER 20 CO 0.00 -0.03 0.95 0.00 0.41 0.00 0.00 173.24 174.57 2cqw h SER 22 N 2.89 0.15 0.00 0.00 0.02 -1.95 -3.39 113.55 111.28 2cqw h SER 22 Ca 0.15 -0.77 -0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2cqw h SER 22 Cb 0.71 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2cqw h SER 22 CO 0.76 1.41 -0.31 0.00 -1.14 0.00 0.00 176.83 177.55 2cqw n LEU 23 N -4.28 2.50 0.00 5.07 -0.00 -1.26 -4.87 117.00 114.16 2cqw n LEU 23 Ca -0.23 -3.51 0.00 0.00 -0.00 0.00 0.00 56.01 52.26 2cqw n LEU 23 Cb 0.72 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2cqw n LEU 23 CO 0.32 1.10 0.00 0.54 -0.00 0.00 0.00 177.39 179.34 2cqw n ARG 24 N -1.21 0.00 -3.62 1.47 1.74 -1.26 -4.98 116.66 108.80 2cqw n ARG 24 Ca 0.17 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.01 2cqw n ARG 24 Cb 0.68 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.19 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 -1.99 -0.93 3.53 0.00 0.00 0.19 -4.88 105.19 101.10 2cqw n GLY 26 Ca 0.01 0.38 -0.10 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 -1.03 -0.09 4.61 0.00 -1.11 -4.89 121.76 119.25 2cqw s ALA 27 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2cqw s ALA 27 Cb 0.00 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2cqw s ALA 27 CO 0.00 -0.81 -0.14 -0.65 0.00 0.00 0.00 175.76 174.15 2cqw s GLN 28 N -3.86 2.06 0.39 0.00 -0.21 -1.26 0.19 119.66 116.97 2cqw s GLN 28 Ca 0.08 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 54.98 2cqw s GLN 28 Cb -0.01 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 2cqw s GLN 28 CO -0.03 -0.02 0.09 0.34 -2.12 0.00 0.00 175.29 173.54 2cqw s ASP 29 N 0.87 2.78 -0.11 5.90 2.15 -0.23 -4.94 116.67 123.09 2cqw s ASP 29 Ca -0.10 -1.56 -0.10 0.00 0.43 0.00 0.00 52.55 51.22 2cqw s ASP 29 Cb -0.15 0.28 -0.09 0.00 -0.30 0.00 0.00 42.92 42.66 2cqw s ASP 29 CO 0.01 -0.80 0.28 1.23 -0.17 0.00 0.00 175.17 175.72 2cqw h GLY 30 N 1.86 -0.01 0.77 2.66 0.00 -2.00 -3.35 103.07 103.00 2cqw h GLY 30 Ca -0.38 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.00 2cqw h GLY 30 CO 0.64 -0.00 0.42 -2.00 0.00 0.00 0.00 176.54 175.59 2cqw h LEU 31 N -1.00 0.66 0.00 3.11 5.85 -1.93 -3.46 115.31 118.54 2cqw h LEU 31 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2cqw h LEU 31 Cb 0.35 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2cqw h LEU 31 CO 0.00 0.44 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 2cqw s SER 33 N 0.15 -0.72 -0.30 0.00 0.15 0.49 -1.07 113.70 112.40 2cqw s SER 33 Ca 0.00 1.34 0.11 0.00 0.70 0.00 0.00 55.95 58.10 2cqw s SER 33 Cb 0.00 1.33 0.74 0.00 -1.71 0.00 0.00 66.02 66.38 2cqw s SER 33 CO 0.00 -0.23 1.77 0.00 1.20 0.00 0.00 173.24 175.98 2cqw s HIS 35 N -2.97 3.46 -1.44 0.00 5.04 0.19 0.53 115.29 120.10 2cqw s HIS 35 Ca 0.54 0.17 0.23 0.00 -1.54 0.00 0.00 55.06 54.46 2cqw s HIS 35 Cb 0.43 -1.70 1.15 0.00 0.04 0.00 0.00 32.58 32.51 2cqw s HIS 35 CO 0.13 0.55 1.75 -0.35 -2.34 0.00 0.00 174.74 174.48 2cqw n PRO 36 N -0.04 0.33 0.00 2.88 -0.04 -1.26 -2.13 135.00 134.74 2cqw n PRO 36 Ca -0.06 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2cqw n PRO 36 Cb 0.52 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.28 0.52 -2.24 -1.26 -3.83 114.28 106.47 2cqw n THR 37 Ca 0.11 -0.10 0.17 0.00 -2.27 0.00 0.00 64.05 61.96 2cqw n THR 37 Cb 0.18 0.55 0.86 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 0.92 0.50 0.00 4.64 -1.79 1.45 113.55 119.26 2cqw h SER 39 Ca 0.00 -0.51 -0.21 0.00 -0.47 0.00 0.00 61.79 60.61 2cqw h SER 39 Cb 0.10 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2cqw h SER 39 CO 0.00 1.24 -0.91 1.23 -0.87 0.00 0.00 176.83 177.53 2cqw h GLY 40 N 0.62 0.30 0.00 -0.77 0.00 -1.36 -3.35 103.07 98.51 2cqw h GLY 40 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2cqw h GLY 40 CO 0.10 0.48 -0.13 1.41 0.00 0.00 0.00 176.54 178.40 2cqw h LEU 41 N 0.15 0.00 0.00 3.11 3.38 -1.31 -3.49 115.31 117.15 2cqw h LEU 41 Ca -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.73 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 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2cqw n GLY 42 N 1.71 1.51 0.59 0.83 0.00 0.49 -5.02 105.19 105.30 2cqw n GLY 42 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.26 2.18 -2.06 2.61 -2.24 -0.96 -5.04 114.28 108.52 2cqw n THR 43 Ca 0.00 -2.50 -0.37 0.00 -2.27 0.00 0.00 64.05 58.91 2cqw n THR 43 Cb 0.00 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.25 0.00 -0.22 0.00 5.08 -1.95 -2.98 114.58 114.27 2cqw h GLU 46 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2cqw h GLU 46 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2cqw h GLU 46 CO 0.62 0.41 0.00 -0.25 -1.00 0.00 0.00 179.01 178.78 2cqw n ASP 47 N -3.39 3.33 -0.03 1.42 8.00 -1.26 -4.62 116.55 119.99 2cqw n ASP 47 Ca 0.01 -2.76 -0.13 0.00 0.71 0.00 0.00 54.79 52.62 2cqw n ASP 47 Cb 0.59 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 2cqw n ASP 47 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2cqw h PHE 48 N 1.44 0.21 -0.01 1.24 3.57 -1.84 -2.44 116.94 119.11 2cqw h PHE 48 Ca 0.00 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.29 2cqw h PHE 48 Cb 1.17 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2cqw h PHE 48 CO 0.33 0.58 -0.69 -0.07 -2.23 0.00 0.00 178.31 176.23 2cqw h LEU 49 N -0.22 0.09 -1.15 0.59 3.38 -1.77 1.55 115.31 117.78 2cqw h LEU 49 Ca 0.02 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2cqw h LEU 49 Cb 0.53 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2cqw h LEU 49 CO 0.02 0.75 0.58 0.44 0.09 0.00 0.00 178.44 180.32 2cqw h ASP 50 N 0.05 0.94 0.00 -0.43 3.32 -1.80 0.10 116.42 118.61 2cqw h ASP 50 Ca -0.01 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 2cqw h ASP 50 Cb 1.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2cqw h ASP 50 CO 0.10 0.65 -2.05 -1.22 -1.72 0.00 0.00 179.24 174.99 2cqw n TYR 51 N -4.45 0.00 -3.20 4.55 4.01 -0.93 -4.56 117.16 112.60 2cqw n TYR 51 Ca 0.12 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.59 2cqw n TYR 51 Cb 0.11 -0.60 -0.06 0.00 -0.31 0.00 0.00 39.34 38.48 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 5.97 -1.44 0.00 4.77 0.33 -4.22 117.00 122.82 2cqw n LEU 53 Ca 0.29 -3.71 -0.01 0.00 -0.03 0.00 0.00 56.01 52.56 2cqw n LEU 53 Cb 0.43 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2cqw n LEU 53 CO 0.35 1.15 0.27 -0.62 -1.33 0.00 0.00 177.39 177.21 2cqw n GLU 54 N -1.13 0.23 -0.03 3.23 -0.58 -1.26 -4.97 120.64 116.13 2cqw n GLU 54 Ca 0.52 -0.28 -0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2cqw n GLU 54 Cb 1.43 0.22 -0.08 0.00 -0.57 0.00 0.00 31.44 32.45 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 -0.27 0.37 -1.19 -3.67 -5.35 -1.26 -5.02 119.36 102.97 2cqw n ILE 55 Ca -0.05 -0.34 -0.35 0.00 -0.27 0.00 0.00 62.75 61.74 2cqw n ILE 55 Cb 0.52 -0.29 0.08 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.14 1.33 -4.78 7.28 4.77 -1.26 -4.97 117.00 117.23 2cqw n LEU 56 Ca -0.10 0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 2cqw n LEU 56 Cb 0.57 -1.27 0.17 0.00 -2.33 0.00 0.00 43.42 40.57 2cqw n LEU 56 CO 0.22 -2.93 0.73 -2.16 -1.33 0.00 0.00 177.39 171.92 2cqw s PRO 57 N -3.09 0.54 0.53 3.23 0.04 -1.26 -4.99 135.00 130.00 2cqw s PRO 57 Ca 0.66 0.06 -0.22 0.00 0.04 0.00 0.00 61.00 61.54 2cqw s PRO 57 Cb -0.32 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2cqw s PRO 57 CO 0.58 -2.56 1.34 -1.54 0.04 0.00 0.00 177.00 174.86 2cqw s SER 58 N -4.19 5.41 0.03 6.66 1.04 -1.26 -4.96 113.70 116.43 2cqw s SER 58 Ca 0.67 2.72 -0.26 0.00 0.48 0.00 0.00 55.95 59.56 2cqw s SER 58 Cb -0.11 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 2cqw s SER 58 CO 0.54 -1.47 0.82 -0.55 0.98 0.00 0.00 173.24 173.56 2cqw s SER 59 N -0.98 7.25 0.11 7.02 0.15 -1.26 -5.06 113.70 120.93 2cqw s SER 59 Ca 0.70 1.50 0.10 0.00 0.70 0.00 0.00 55.95 58.95 2cqw s SER 59 Cb -0.39 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.39 2cqw s SER 59 CO 0.47 -0.06 -0.25 -0.83 1.20 0.00 0.00 173.24 173.77 2cqw s GLY 60 N 0.23 1.57 -0.34 9.45 0.00 -1.26 -4.88 107.32 112.09 2cqw s GLY 60 Ca 0.42 -1.41 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 2cqw s GLY 60 CO 0.24 -1.38 0.30 -1.26 0.00 0.00 0.00 173.10 171.00 2cqw n SER 61 N 1.05 -7.65 -4.69 1.64 2.88 -1.26 -4.91 113.62 100.68 2cqw n SER 61 Ca -0.17 0.85 -0.42 0.00 -1.33 0.00 0.00 58.87 57.79 2cqw n SER 61 Cb 0.53 -4.69 -0.03 0.00 -0.75 0.00 0.00 64.21 59.27 2cqw n SER 61 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2cqw s MET 62 N -2.03 4.40 0.00 -1.46 1.75 -1.26 -4.51 119.30 116.19 2cqw s MET 62 Ca 0.13 1.26 0.00 0.00 -1.25 0.00 0.00 55.69 55.83 2cqw s MET 62 Cb -0.03 -3.54 0.00 0.00 2.84 0.00 0.00 34.83 34.10 2cqw s MET 62 CO 0.71 -0.26 0.00 -1.33 -0.65 0.00 0.00 175.02 173.49 2cqw n MET 63 N 4.87 0.00 0.00 4.11 2.81 -1.26 -4.67 117.12 122.98 2cqw n MET 63 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2cqw n MET 63 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 2cqw n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cqw n GLY 64 N 0.00 4.70 3.77 3.03 0.00 -1.26 -5.10 105.19 110.32 2cqw n GLY 64 Ca 0.00 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 2.66 0.05 -0.02 0.00 -1.26 -5.02 107.32 103.74 2cqw s GLY 65 Ca 0.00 1.48 0.09 0.00 0.00 0.00 0.00 44.72 46.28 2cqw s GLY 65 CO 0.00 2.27 -0.24 -1.59 0.00 0.00 0.00 173.10 173.54 2cqw s LYS 66 N -1.40 1.58 -0.24 2.90 -2.85 -1.26 -5.12 119.74 113.35 2cqw s LYS 66 Ca 0.56 -1.05 -0.02 0.00 -1.00 0.00 0.00 55.97 54.46 2cqw s LYS 66 Cb -0.45 -1.76 0.02 0.00 -2.06 0.00 0.00 37.83 33.59 2cqw s LYS 66 CO 0.55 0.45 -0.07 -0.51 0.10 0.00 0.00 175.35 175.87 2cqw s ASP 67 N -1.27 4.25 0.40 0.03 1.11 -1.26 -5.10 116.67 114.82 2cqw s ASP 67 Ca 0.10 -0.84 -0.26 0.00 0.18 0.00 0.00 52.55 51.73 2cqw s ASP 67 Cb -0.09 -1.66 -0.09 0.00 1.07 0.00 0.00 42.92 42.15 2cqw s ASP 67 CO 0.02 -0.11 1.20 0.72 1.18 0.00 0.00 175.17 178.18 2cqw s PHE 68 N 1.33 3.03 0.36 4.23 -0.12 -1.26 -4.99 117.98 120.55 2cqw s PHE 68 Ca 0.01 1.52 -0.25 0.00 -0.05 0.00 0.00 56.93 58.16 2cqw s PHE 68 Cb -0.16 -3.46 -0.09 0.00 -0.63 0.00 0.00 43.02 38.68 2cqw s PHE 68 CO -0.05 -1.47 1.04 0.54 -0.05 0.00 0.00 175.22 175.23 2cqw s VAL 69 N -1.37 3.76 0.08 -2.49 0.11 -1.26 -5.05 120.40 114.18 2cqw s VAL 69 Ca 0.56 1.45 0.01 0.00 -2.93 0.00 0.00 61.98 61.07 2cqw s VAL 69 Cb -0.32 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2cqw s VAL 69 CO 0.41 0.11 -0.06 0.54 -3.33 0.00 0.00 175.10 172.77 2cqw s VAL 70 N -1.55 0.58 0.35 2.04 0.11 -1.26 -5.17 120.40 115.50 2cqw s VAL 70 Ca 0.54 -1.82 0.08 0.00 -2.93 0.00 0.00 61.98 57.85 2cqw s VAL 70 Cb -0.23 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 2cqw s VAL 70 CO 0.30 -0.85 0.18 -1.10 -3.33 0.00 0.00 175.10 170.30 2cqw s GLN 71 N -3.62 2.41 0.28 1.54 -0.21 -1.26 -5.14 119.66 113.66 2cqw s GLN 71 Ca 0.09 -1.55 -0.07 0.00 0.02 0.00 0.00 55.36 53.85 2cqw s GLN 71 Cb 0.04 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.84 2cqw s GLN 71 CO -0.05 0.06 0.42 -1.58 -2.12 0.00 0.00 175.29 172.02 2cqw s HIS 72 N -2.43 0.79 -0.14 0.91 2.46 -1.26 -5.18 115.29 110.44 2cqw s HIS 72 Ca 0.39 -1.07 -0.23 0.00 0.47 0.00 0.00 55.06 54.62 2cqw s HIS 72 Cb -0.02 -0.05 0.06 0.00 -0.13 0.00 0.00 32.58 32.43 2cqw s HIS 72 CO 0.23 -1.00 0.58 -0.48 -2.47 0.00 0.00 174.74 171.61 2cqw s LEU 73 N -3.13 -0.22 -0.23 8.88 0.05 -1.26 -5.17 118.68 117.60 2cqw s LEU 73 Ca 0.29 0.88 -0.36 0.00 0.05 0.00 0.00 54.13 54.98 2cqw s LEU 73 Cb 0.01 2.07 0.15 0.00 -2.05 0.00 0.00 46.19 46.37 2cqw s LEU 73 CO 0.14 -0.37 1.27 -0.75 -0.55 0.00 0.00 176.35 176.09 2cqw s LYS 74 N -0.41 0.21 0.17 1.48 2.20 -1.26 -5.18 119.74 116.96 2cqw s LYS 74 Ca -0.06 -0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.56 2cqw s LYS 74 Cb -0.03 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 2cqw s LYS 74 CO 0.04 -0.09 -0.17 -1.58 -0.36 0.00 0.00 175.35 173.20 2cqw s TRP 75 N -2.26 1.74 -0.01 4.03 0.51 -1.26 -5.15 118.94 116.54 2cqw s TRP 75 Ca 0.10 -0.51 -0.02 0.00 -2.12 0.00 0.00 56.10 53.55 2cqw s TRP 75 Cb -0.01 -0.85 -0.00 0.00 -0.81 0.00 0.00 33.47 31.80 2cqw s TRP 75 CO -0.04 0.32 0.05 0.99 -0.51 0.00 0.00 176.95 177.76 2cqw s THR 76 N -2.36 0.04 0.05 2.01 2.01 -1.26 -5.16 115.64 110.98 2cqw s THR 76 Ca 0.17 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.94 2cqw s THR 76 Cb -0.04 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 2cqw s THR 76 CO 0.06 -0.17 -0.21 1.51 -0.69 0.00 0.00 174.62 175.13 2cqw s ASP 77 N -0.50 2.47 1.12 3.53 1.47 -1.26 -5.15 116.67 118.35 2cqw s ASP 77 Ca -0.06 -0.55 -0.19 0.00 1.18 0.00 0.00 52.55 52.93 2cqw s ASP 77 Cb -0.04 -0.19 0.27 0.00 -0.34 0.00 0.00 42.92 42.62 2cqw s ASP 77 CO 0.00 0.14 1.24 -2.16 0.68 0.00 0.00 175.17 175.07 2cqw s PRO 78 N -1.31 -0.64 0.25 2.11 0.04 -1.26 -5.10 135.00 129.09 2cqw s PRO 78 Ca 0.07 -0.38 -0.18 0.00 0.04 0.00 0.00 61.00 60.55 2cqw s PRO 78 Cb -0.09 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2cqw s PRO 78 CO 0.02 -3.27 0.62 -1.54 0.04 0.00 0.00 177.00 172.87 2cqw s SER 79 N -4.50 -0.23 0.00 6.66 1.04 -1.26 -5.14 113.70 110.26 2cqw s SER 79 Ca 0.75 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2cqw s SER 79 Cb -0.05 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2cqw s SER 79 CO 0.55 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2cqw n GLY 80 N -0.42 -0.11 0.11 7.32 0.00 -1.26 -5.08 105.19 105.76 2cqw n GLY 80 Ca -0.05 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.15 0.00 1.61 0.13 -2.07 -3.49 132.00 128.03 2cqw h PRO 81 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2cqw h PRO 81 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2cqw h PRO 81 CO 0.00 0.31 0.00 -1.13 -0.23 0.00 0.00 178.00 176.95 2cqw n SER 82 N -4.85 0.00 -0.02 1.44 3.41 -1.26 -5.09 113.62 107.25 2cqw n SER 82 Ca -0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.48 2cqw n SER 82 Cb 0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 2cqw n SER 82 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cqw n SER 83 N 0.00 1.27 0.00 4.04 2.88 -1.26 -5.30 113.62 115.25 2cqw n SER 83 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2cqw n SER 83 Cb 0.00 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42