#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2w n GLY 1 N 0.00 -0.16 0.36 3.17 0.00 -1.26 -4.95 105.19 102.34 1l2w n GLY 1 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 1l2w n GLY 1 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1l2w h TYR 2 N 0.00 1.22 -0.44 1.61 3.20 -2.04 -1.86 116.97 118.65 1l2w h TYR 2 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1l2w h TYR 2 Cb 0.00 -0.41 -0.04 0.00 1.54 0.00 0.00 36.73 37.82 1l2w h TYR 2 CO 0.00 0.79 0.21 0.77 -1.64 0.00 0.00 178.16 178.28 1l2w h SER 3 N 1.30 0.29 -0.13 -2.11 0.02 -1.99 0.70 113.55 111.63 1l2w h SER 3 Ca 0.35 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1l2w h SER 3 Cb -0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1l2w h SER 3 CO -0.07 0.21 0.05 0.15 -1.14 0.00 0.00 176.83 176.03 1l2w h PHE 4 N 0.42 0.19 -0.62 3.45 3.57 -1.87 -1.28 116.94 120.80 1l2w h PHE 4 Ca 0.19 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1l2w h PHE 4 Cb 0.12 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1l2w h PHE 4 CO -0.11 0.28 0.24 0.93 -2.23 0.00 0.00 178.31 177.41 1l2w h GLU 5 N 0.05 0.41 -0.46 1.11 5.08 -0.87 0.64 114.58 120.53 1l2w h GLU 5 Ca 0.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1l2w h GLU 5 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1l2w h GLU 5 CO -0.00 0.27 -0.06 1.96 -1.00 0.00 0.00 179.01 180.17 1l2w h GLN 6 N 0.42 0.86 -0.50 2.33 1.08 -0.73 -1.10 115.11 117.46 1l2w h GLN 6 Ca 0.31 -0.31 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1l2w h GLN 6 Cb 0.39 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1l2w h GLN 6 CO -0.31 0.94 0.18 0.00 -0.95 0.00 0.00 178.83 178.69 1l2w h ALA 7 N 0.89 0.65 -0.14 3.87 0.00 -0.54 -0.44 119.26 123.56 1l2w h ALA 7 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1l2w h ALA 7 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1l2w h ALA 7 CO 0.04 0.29 0.05 0.82 0.00 0.00 0.00 179.25 180.45 1l2w h ILE 8 N 0.67 1.16 -0.44 0.00 1.08 -0.84 -1.28 117.51 117.87 1l2w h ILE 8 Ca 0.16 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.22 1l2w h ILE 8 Cb 0.24 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 1l2w h ILE 8 CO -0.01 0.15 0.12 0.74 -0.69 0.00 0.00 178.15 178.46 1l2w h THR 9 N 0.07 0.81 -0.30 -0.27 2.02 -1.01 0.17 112.91 114.41 1l2w h THR 9 Ca 0.05 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1l2w h THR 9 Cb 0.18 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1l2w h THR 9 CO -0.00 0.05 0.19 -0.61 0.37 0.00 0.00 175.52 175.51 1l2w h GLN 10 N 0.27 0.37 -0.07 6.66 4.15 -0.97 -1.29 115.11 124.22 1l2w h GLN 10 Ca 0.21 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.63 1l2w h GLN 10 Cb 0.24 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1l2w h GLN 10 CO -0.25 0.25 -0.07 1.25 -1.93 0.00 0.00 178.83 178.08 1l2w h LEU 11 N 0.38 -0.22 -1.23 -2.39 5.85 -0.35 -1.97 115.31 115.39 1l2w h LEU 11 Ca 0.11 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1l2w h LEU 11 Cb -0.03 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1l2w h LEU 11 CO -0.04 -0.10 0.55 -0.26 -0.34 0.00 0.00 178.44 178.25 1l2w h PHE 12 N -0.09 0.95 -0.80 1.25 -1.00 -0.43 -1.06 116.94 115.77 1l2w h PHE 12 Ca 0.05 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 1l2w h PHE 12 Cb 0.17 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.37 1l2w h PHE 12 CO -0.17 0.51 0.37 1.96 -1.61 0.00 0.00 178.31 179.37 1l2w h GLN 13 N 0.95 1.16 0.00 1.51 4.20 -0.68 -0.26 115.11 121.99 1l2w h GLN 13 Ca 0.35 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1l2w h GLN 13 Cb 0.17 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1l2w h GLN 13 CO -0.12 0.91 0.00 1.04 -0.67 0.00 0.00 178.83 179.99 1l2w n GLN 14 N -4.33 0.10 -0.11 1.46 6.02 -0.49 -2.55 117.38 117.48 1l2w n GLN 14 Ca 0.07 0.27 0.06 0.00 -0.01 0.00 0.00 57.00 57.39 1l2w n GLN 14 Cb 0.15 -1.67 0.12 0.00 1.02 0.00 0.00 30.24 29.86 1l2w n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1l2w n LEU 15 N -1.86 2.61 -2.95 1.08 4.77 -0.53 -4.98 117.00 115.13 1l2w n LEU 15 Ca 0.04 -1.57 -0.22 0.00 -0.03 0.00 0.00 56.01 54.23 1l2w n LEU 15 Cb 0.25 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1l2w n LEU 15 CO 0.20 0.60 0.01 -1.20 -1.33 0.00 0.00 177.39 175.67 1l2w n SER 16 N 0.66 -6.03 -4.74 -1.43 7.64 -0.40 -4.99 113.62 104.33 1l2w n SER 16 Ca 0.11 -0.29 -0.36 0.00 1.01 0.00 0.00 58.87 59.34 1l2w n SER 16 Cb 0.39 -4.83 -0.08 0.00 -1.01 0.00 0.00 64.21 58.67 1l2w n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1l2w s LEU 17 N -6.51 3.90 0.45 -3.43 1.43 -0.25 -5.04 118.68 109.23 1l2w s LEU 17 Ca 0.31 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.40 1l2w s LEU 17 Cb -0.14 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 1l2w s LEU 17 CO 0.38 0.35 1.38 -0.94 0.23 0.00 0.00 176.35 177.75 1l2w s SER 18 N -0.71 5.94 -0.35 2.29 1.04 -1.26 -4.44 113.70 116.22 1l2w s SER 18 Ca 0.12 2.81 -0.26 0.00 0.48 0.00 0.00 55.95 59.10 1l2w s SER 18 Cb -0.12 -2.65 0.01 0.00 0.10 0.00 0.00 66.02 63.37 1l2w s SER 18 CO 0.02 -1.12 0.91 -0.63 0.98 0.00 0.00 173.24 173.40 1l2w s ILE 19 N -1.24 4.63 0.70 -1.02 1.01 -1.26 -5.02 121.20 119.00 1l2w s ILE 19 Ca 0.61 1.25 -0.16 0.00 0.00 0.00 0.00 60.65 62.34 1l2w s ILE 19 Cb -0.41 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.77 1l2w s ILE 19 CO 0.53 -0.46 1.11 -2.65 0.00 0.00 0.00 174.94 173.47 1l2w n PRO 20 N 6.63 0.68 0.16 2.79 -0.02 -1.26 -4.89 135.00 139.09 1l2w n PRO 20 Ca 0.07 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1l2w n PRO 20 Cb 0.48 -2.35 0.24 0.00 -0.02 0.00 0.00 33.50 31.84 1l2w n PRO 20 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1l2w h ASP 21 N -0.05 0.00 -3.36 2.55 3.32 -2.06 -3.41 116.42 113.41 1l2w h ASP 21 Ca -0.48 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.04 1l2w h ASP 21 Cb 1.33 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.54 1l2w h ASP 21 CO 0.49 0.53 -0.81 -0.89 -1.72 0.00 0.00 179.24 176.83 1l2w s THR 22 N -3.79 1.14 -0.43 0.35 2.01 -1.26 -5.10 115.64 108.55 1l2w s THR 22 Ca -0.02 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1l2w s THR 22 Cb 0.13 -1.06 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1l2w s THR 22 CO 0.75 0.36 0.39 -0.63 -0.69 0.00 0.00 174.62 174.80 1l2w s ILE 23 N 0.90 5.17 0.70 1.82 1.01 -1.26 -5.07 121.20 124.47 1l2w s ILE 23 Ca -0.10 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1l2w s ILE 23 Cb -0.15 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.30 1l2w s ILE 23 CO 0.01 -0.44 1.09 -1.83 0.00 0.00 0.00 174.94 173.76 1l2w s GLU 24 N 1.89 2.69 0.47 2.79 -1.05 -1.26 -4.94 118.70 119.28 1l2w s GLU 24 Ca 0.08 1.20 0.13 0.00 -0.15 0.00 0.00 54.97 56.23 1l2w s GLU 24 Cb -0.20 -1.95 1.09 0.00 -0.44 0.00 0.00 34.13 32.63 1l2w s GLU 24 CO 0.11 -1.31 2.08 -1.35 0.95 0.00 0.00 175.26 175.73 1l2w h PRO 25 N -0.49 0.27 -4.46 -4.83 0.11 -1.97 -3.35 132.00 117.28 1l2w h PRO 25 Ca -0.45 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1l2w h PRO 25 Cb 1.23 -0.06 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 1l2w h PRO 25 CO 0.54 0.18 -0.72 0.08 -0.21 0.00 0.00 178.00 177.87 1l2w s VAL 26 N -5.28 2.08 0.08 3.15 1.01 -1.26 -4.31 120.40 115.87 1l2w s VAL 26 Ca -0.07 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 59.36 1l2w s VAL 26 Cb 0.18 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1l2w s VAL 26 CO 0.71 -0.62 0.94 -0.63 0.00 0.00 0.00 175.10 175.50 1l2w s ILE 27 N 0.95 4.61 -0.20 2.22 -1.09 0.09 -4.86 121.20 122.92 1l2w s ILE 27 Ca 0.11 2.01 -0.07 0.00 -2.23 0.00 0.00 60.65 60.48 1l2w s ILE 27 Cb -0.19 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1l2w s ILE 27 CO -0.10 0.29 0.05 -0.83 -1.23 0.00 0.00 174.94 173.12 1l2w s GLY 28 N 0.22 1.85 -0.10 6.18 0.00 -1.26 -0.84 107.32 113.37 1l2w s GLY 28 Ca 0.47 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 1l2w s GLY 28 CO 0.29 0.17 -0.01 0.14 0.00 0.00 0.00 173.10 173.68 1l2w s VAL 29 N 0.71 0.56 -0.40 1.40 1.01 0.60 -4.99 120.40 119.30 1l2w s VAL 29 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1l2w s VAL 29 Cb -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1l2w s VAL 29 CO 0.02 0.23 0.61 -0.75 0.00 0.00 0.00 175.10 175.21 1l2w s LYS 30 N 1.89 3.46 -0.52 2.72 2.47 -1.26 -0.18 119.74 128.31 1l2w s LYS 30 Ca 0.04 -0.21 -0.04 0.00 -1.56 0.00 0.00 55.97 54.19 1l2w s LYS 30 Cb -0.13 -3.88 0.14 0.00 -1.46 0.00 0.00 37.83 32.50 1l2w s LYS 30 CO -0.06 -0.85 0.35 0.08 0.16 0.00 0.00 175.35 175.02 1l2w s VAL 31 N 2.69 3.72 0.00 4.02 1.01 0.27 -4.94 120.40 127.16 1l2w s VAL 31 Ca 0.22 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 59.82 1l2w s VAL 31 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1l2w s VAL 31 CO 0.16 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1l2w n GLY 32 N 4.19 2.26 1.13 4.51 0.00 -1.26 -2.50 105.19 113.53 1l2w n GLY 32 Ca 0.01 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1l2w n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l2w n GLU 33 N 12.16 2.61 -3.77 1.61 1.02 -1.26 -4.90 120.64 128.11 1l2w n GLU 33 Ca 0.00 -2.39 -0.37 0.00 -0.02 0.00 0.00 57.16 54.38 1l2w n GLU 33 Cb 0.00 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 1l2w n GLU 33 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1l2w s PHE 34 N -1.13 3.10 -0.32 -0.32 0.40 -1.04 -5.06 117.98 113.61 1l2w s PHE 34 Ca 0.40 -0.72 -0.26 0.00 -0.60 0.00 0.00 56.93 55.75 1l2w s PHE 34 Cb 0.22 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.52 1l2w s PHE 34 CO 0.29 -0.48 0.92 0.00 0.70 0.00 0.00 175.22 176.65 1l2w s ALA 35 N 1.55 3.50 0.14 5.36 0.00 -1.26 -0.57 121.76 130.49 1l2w s ALA 35 Ca 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1l2w s ALA 35 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1l2w s ALA 35 CO 0.02 -1.36 -0.12 0.00 0.00 0.00 0.00 175.76 174.31 1l2w s HIS 37 N -1.41 1.86 -0.09 0.00 3.76 0.03 -0.29 115.29 119.15 1l2w s HIS 37 Ca 0.22 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1l2w s HIS 37 Cb -0.10 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.38 1l2w s HIS 37 CO 0.14 -0.12 -0.16 0.42 -0.85 0.00 0.00 174.74 174.17 1l2w s ILE 38 N -0.21 1.46 0.19 0.60 1.01 -0.02 -1.27 121.20 122.97 1l2w s ILE 38 Ca 0.01 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 1l2w s ILE 38 Cb -0.10 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1l2w s ILE 38 CO 0.01 0.43 0.45 0.28 0.00 0.00 0.00 174.94 176.11 1l2w s THR 39 N 0.67 0.03 -0.42 2.92 -1.32 -0.32 -0.74 115.64 116.47 1l2w s THR 39 Ca -0.14 -1.03 -0.16 0.00 -1.21 0.00 0.00 61.69 59.16 1l2w s THR 39 Cb -0.16 -1.73 0.02 0.00 -1.51 0.00 0.00 72.50 69.12 1l2w s THR 39 CO 0.04 -0.16 0.36 -0.70 -2.21 0.00 0.00 174.62 171.95 1l2w s GLU 40 N -3.92 3.02 -0.30 7.08 2.12 -1.26 -0.06 118.70 125.38 1l2w s GLU 40 Ca 0.13 -0.93 -0.09 0.00 0.36 0.00 0.00 54.97 54.44 1l2w s GLU 40 Cb 0.00 -3.98 0.16 0.00 0.26 0.00 0.00 34.13 30.57 1l2w s GLU 40 CO -0.01 -0.80 0.74 -1.58 -0.54 0.00 0.00 175.26 173.08 1l2w s HIS 41 N 1.86 -1.21 0.27 5.30 2.46 -0.43 -4.59 115.29 118.95 1l2w s HIS 41 Ca 0.08 1.73 -0.05 0.00 0.47 0.00 0.00 55.06 57.29 1l2w s HIS 41 Cb -0.18 0.59 0.06 0.00 -0.13 0.00 0.00 32.58 32.92 1l2w s HIS 41 CO 0.11 -0.63 0.32 -0.35 -2.47 0.00 0.00 174.74 171.72 1l2w n PRO 42 N 5.35 -0.75 -1.65 2.88 -0.04 -1.26 -4.52 135.00 135.01 1l2w n PRO 42 Ca -0.07 -0.50 -0.45 0.00 -0.04 0.00 0.00 63.50 62.44 1l2w n PRO 42 Cb 0.51 -0.37 -0.02 0.00 -0.04 0.00 0.00 33.50 33.57 1l2w n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1l2w n VAL 43 N -2.69 1.45 -0.76 0.52 0.31 -1.26 -1.62 118.33 114.28 1l2w n VAL 43 Ca 0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1l2w n VAL 43 Cb 0.15 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1l2w n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l2w n GLY 44 N 1.56 0.85 3.12 2.92 0.00 -1.26 -5.03 105.19 107.35 1l2w n GLY 44 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1l2w n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1l2w s GLN 45 N -0.24 1.50 -0.32 1.61 -1.52 -0.64 -0.45 119.66 119.59 1l2w s GLN 45 Ca 0.00 -0.55 -0.13 0.00 -1.95 0.00 0.00 55.36 52.73 1l2w s GLN 45 Cb 0.00 -1.36 -0.03 0.00 -0.22 0.00 0.00 33.01 31.40 1l2w s GLN 45 CO 0.00 0.26 0.24 0.42 -0.25 0.00 0.00 175.29 175.95 1l2w s ILE 46 N -0.07 5.29 -0.12 1.08 -1.09 0.37 -1.31 121.20 125.34 1l2w s ILE 46 Ca -0.00 -0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 1l2w s ILE 46 Cb -0.09 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1l2w s ILE 46 CO 0.01 0.06 0.01 -0.22 -1.23 0.00 0.00 174.94 173.56 1l2w s LEU 47 N 1.75 3.57 -0.01 2.97 2.96 0.91 -2.04 118.68 128.79 1l2w s LEU 47 Ca 0.07 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1l2w s LEU 47 Cb -0.17 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1l2w s LEU 47 CO 0.11 0.29 -0.12 -0.04 -1.32 0.00 0.00 176.35 175.26 1l2w s MET 48 N -0.32 0.95 0.14 1.98 -1.94 -0.57 -1.18 119.30 118.37 1l2w s MET 48 Ca 0.07 -0.44 -0.16 0.00 -1.71 0.00 0.00 55.69 53.45 1l2w s MET 48 Cb -0.12 -0.92 0.03 0.00 2.01 0.00 0.00 34.83 35.83 1l2w s MET 48 CO 0.02 0.25 0.41 -0.59 -0.01 0.00 0.00 175.02 175.10 1l2w s PHE 49 N -0.31 -0.13 0.12 -0.03 -0.12 -0.40 -1.39 117.98 115.71 1l2w s PHE 49 Ca 0.04 -0.20 -0.17 0.00 -0.05 0.00 0.00 56.93 56.55 1l2w s PHE 49 Cb -0.05 0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1l2w s PHE 49 CO -0.00 -0.75 0.43 -0.08 -0.05 0.00 0.00 175.22 174.77 1l2w s THR 50 N -3.83 0.06 -0.43 -4.49 -1.32 -0.50 -0.79 115.64 104.34 1l2w s THR 50 Ca 0.05 -0.49 -0.16 0.00 -1.21 0.00 0.00 61.69 59.88 1l2w s THR 50 Cb 0.01 -1.12 0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1l2w s THR 50 CO -0.09 -0.27 0.39 -0.76 -2.21 0.00 0.00 174.62 171.68 1l2w s LEU 51 N -2.67 5.08 0.63 9.08 1.02 -1.26 -1.46 118.68 129.09 1l2w s LEU 51 Ca 0.01 -0.88 -0.10 0.00 0.02 0.00 0.00 54.13 53.19 1l2w s LEU 51 Cb 0.01 -2.27 -0.02 0.00 0.02 0.00 0.00 46.19 43.93 1l2w s LEU 51 CO -0.11 -0.56 1.01 -2.16 0.02 0.00 0.00 176.35 174.55 1l2w s PRO 52 N 1.92 3.32 -0.36 1.29 0.04 -1.26 -4.95 135.00 134.99 1l2w s PRO 52 Ca 0.08 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.52 1l2w s PRO 52 Cb -0.19 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1l2w s PRO 52 CO 0.11 -0.68 0.34 -1.12 0.04 0.00 0.00 177.00 175.69 1l2w s SER 53 N -4.24 6.14 0.11 6.66 0.01 -1.26 -4.77 113.70 116.35 1l2w s SER 53 Ca 0.55 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 57.31 1l2w s SER 53 Cb -0.11 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 1l2w s SER 53 CO 0.52 -0.36 0.38 -0.76 0.41 0.00 0.00 173.24 173.42 1l2w s LEU 54 N 1.92 4.31 -0.19 2.44 1.43 -1.26 -3.78 118.68 123.56 1l2w s LEU 54 Ca 0.10 0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 53.64 1l2w s LEU 54 Cb -0.17 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1l2w s LEU 54 CO 0.11 0.12 0.75 -0.62 0.23 0.00 0.00 176.35 176.94 1l2w s ASP 55 N -2.08 6.83 0.58 2.29 -1.08 -1.26 -4.94 116.67 117.01 1l2w s ASP 55 Ca 0.37 1.02 0.36 0.00 -0.52 0.00 0.00 52.55 53.78 1l2w s ASP 55 Cb -0.13 -2.41 1.69 0.00 -1.46 0.00 0.00 42.92 40.61 1l2w s ASP 55 CO 0.21 -0.35 2.11 0.78 0.52 0.00 0.00 175.17 178.43 1l2w h ASN 56 N 7.42 0.00 0.40 -0.34 2.35 -1.99 -2.02 115.58 121.40 1l2w h ASN 56 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1l2w h ASN 56 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1l2w h ASN 56 CO 0.81 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 177.20 1l2w n ASN 57 N -3.14 0.00 -4.71 5.81 5.03 -1.26 -4.74 115.26 112.25 1l2w n ASN 57 Ca -0.01 -0.28 -0.39 0.00 0.87 0.00 0.00 54.58 54.78 1l2w n ASN 57 Cb 0.23 -0.22 -0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1l2w n ASN 57 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1l2w s ASP 58 N -2.44 6.78 0.77 6.41 1.01 -0.76 -5.07 116.67 123.36 1l2w s ASP 58 Ca 0.30 0.94 -0.04 0.00 0.71 0.00 0.00 52.55 54.45 1l2w s ASP 58 Cb 0.19 -2.33 0.13 0.00 1.01 0.00 0.00 42.92 41.92 1l2w s ASP 58 CO 0.40 -0.07 1.06 -1.61 0.21 0.00 0.00 175.17 175.16 1l2w s GLU 59 N 0.83 1.53 0.12 8.23 2.02 -1.26 -4.87 118.70 125.30 1l2w s GLU 59 Ca 0.30 -0.88 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 1l2w s GLU 59 Cb -0.16 -2.22 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 1l2w s GLU 59 CO 0.13 -1.61 1.62 1.57 0.02 0.00 0.00 175.26 176.99 1l2w h LYS 60 N -0.75 -0.44 -0.71 1.61 2.10 -1.99 -1.46 116.57 114.93 1l2w h LYS 60 Ca -0.39 0.03 0.12 0.00 -2.00 0.00 0.00 60.65 58.41 1l2w h LYS 60 Cb 1.26 0.10 -0.09 0.00 -0.90 0.00 0.00 32.23 32.61 1l2w h LYS 60 CO 0.42 -0.29 0.29 0.93 -2.00 0.00 0.00 179.45 178.80 1l2w h GLU 61 N -0.45 0.44 -0.60 0.07 3.07 -1.98 0.56 114.58 115.69 1l2w h GLU 61 Ca 0.06 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1l2w h GLU 61 Cb 0.53 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1l2w h GLU 61 CO -0.24 0.29 0.24 1.15 -1.40 0.00 0.00 179.01 179.06 1l2w h THR 62 N 0.46 1.23 -0.27 1.13 2.02 -1.84 -0.98 112.91 114.65 1l2w h THR 62 Ca 0.38 -0.71 -0.14 0.00 0.77 0.00 0.00 66.41 66.70 1l2w h THR 62 Cb 0.53 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1l2w h THR 62 CO -0.36 0.28 -0.40 -0.07 0.37 0.00 0.00 175.52 175.34 1l2w h LEU 63 N 0.84 0.82 -1.31 2.58 3.38 -0.43 -3.09 115.31 118.10 1l2w h LEU 63 Ca 0.20 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1l2w h LEU 63 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1l2w h LEU 63 CO -0.02 1.17 -0.34 -0.07 0.09 0.00 0.00 178.44 179.27 1l2w h LEU 64 N 0.49 0.00 -2.04 1.67 3.38 -0.85 -2.82 115.31 115.14 1l2w h LEU 64 Ca 0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1l2w h LEU 64 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1l2w h LEU 64 CO 0.09 0.34 0.13 0.28 0.09 0.00 0.00 178.44 179.37 1l2w h SER 65 N 0.00 0.00 0.49 -0.43 0.02 -1.09 0.03 113.55 112.57 1l2w h SER 65 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1l2w h SER 65 Cb 0.64 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1l2w h SER 65 CO 0.04 0.00 -0.06 0.45 -1.14 0.00 0.00 176.83 176.13 1l2w h HIS 66 N 0.00 0.00 -0.24 3.45 3.86 -1.58 -3.01 115.15 117.63 1l2w h HIS 66 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1l2w h HIS 66 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1l2w h HIS 66 CO 0.00 0.06 0.00 0.09 0.86 0.00 0.00 177.93 178.94 1l2w n ASN 67 N -3.32 1.94 -4.77 2.45 3.02 -0.00 -4.86 115.26 109.72 1l2w n ASN 67 Ca -0.01 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 1l2w n ASN 67 Cb 0.22 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 1l2w n ASN 67 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1l2w s ILE 68 N -1.69 2.62 0.84 2.41 1.10 -1.14 -4.96 121.20 120.38 1l2w s ILE 68 Ca 0.32 0.62 -0.11 0.00 -0.51 0.00 0.00 60.65 60.96 1l2w s ILE 68 Cb 0.17 -3.40 0.10 0.00 0.15 0.00 0.00 42.46 39.49 1l2w s ILE 68 CO 0.25 0.15 1.15 0.72 -2.11 0.00 0.00 174.94 175.10 1l2w s PHE 69 N -1.12 1.91 0.00 3.50 -0.12 -1.26 -5.05 117.98 115.84 1l2w s PHE 69 Ca 0.50 1.70 0.00 0.00 -0.05 0.00 0.00 56.93 59.08 1l2w s PHE 69 Cb -0.41 -3.32 0.00 0.00 -0.63 0.00 0.00 43.02 38.66 1l2w s PHE 69 CO 0.54 -2.57 0.00 -1.13 -0.05 0.00 0.00 175.22 172.02 1l2w n SER 70 N -3.72 0.00 -0.00 1.98 3.41 -1.26 -5.04 113.62 108.99 1l2w n SER 70 Ca 0.12 -0.90 0.14 0.00 -0.26 0.00 0.00 58.87 57.96 1l2w n SER 70 Cb 0.52 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.08 1l2w n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l2w n GLN 71 N 0.00 0.03 -3.71 4.33 10.64 -1.26 -4.66 117.38 122.75 1l2w n GLN 71 Ca 0.00 -0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 1l2w n GLN 71 Cb 0.00 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.76 1l2w n GLN 71 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1l2w s ASP 72 N -2.97 5.38 0.00 2.61 -1.08 -1.26 -4.97 116.67 114.38 1l2w s ASP 72 Ca 0.15 -0.91 0.14 0.00 -0.52 0.00 0.00 52.55 51.41 1l2w s ASP 72 Cb 0.19 -1.92 0.71 0.00 -1.46 0.00 0.00 42.92 40.44 1l2w s ASP 72 CO 0.54 -0.29 1.41 2.30 0.52 0.00 0.00 175.17 179.65 1l2w n ILE 73 N 4.89 0.68 0.72 4.11 -5.35 -1.26 -2.02 119.36 121.13 1l2w n ILE 73 Ca -0.13 0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 1l2w n ILE 73 Cb 0.46 -0.93 0.26 0.00 -1.74 0.00 0.00 39.64 37.70 1l2w n ILE 73 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1l2w n LEU 74 N -1.33 2.78 -4.70 7.28 4.77 -1.26 -4.69 117.00 119.84 1l2w n LEU 74 Ca 0.06 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.47 1l2w n LEU 74 Cb 0.13 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1l2w n LEU 74 CO 0.12 0.58 1.33 -0.75 -1.33 0.00 0.00 177.39 177.33 1l2w s LYS 75 N -1.66 4.18 0.58 3.23 2.20 -0.86 -4.72 119.74 122.69 1l2w s LYS 75 Ca 0.35 2.43 -0.18 0.00 -0.36 0.00 0.00 55.97 58.21 1l2w s LYS 75 Cb 0.21 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1l2w s LYS 75 CO 0.30 -0.71 1.12 -1.25 -0.36 0.00 0.00 175.35 174.44 1l2w s PRO 76 N 1.92 3.18 -0.14 4.03 0.04 -1.26 -4.86 135.00 137.91 1l2w s PRO 76 Ca 0.74 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 1l2w s PRO 76 Cb -0.44 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1l2w s PRO 76 CO 0.33 -0.97 0.04 0.42 0.04 0.00 0.00 177.00 176.86 1l2w s ILE 77 N -2.00 4.64 -0.20 0.56 -1.09 0.10 -4.82 121.20 118.39 1l2w s ILE 77 Ca 0.70 -0.10 -0.14 0.00 -2.23 0.00 0.00 60.65 58.88 1l2w s ILE 77 Cb -0.22 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1l2w s ILE 77 CO 0.32 0.53 0.33 -0.22 -1.23 0.00 0.00 174.94 174.67 1l2w s LEU 78 N -0.23 4.16 0.00 2.97 2.96 -1.26 -1.38 118.68 125.90 1l2w s LEU 78 Ca 0.07 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1l2w s LEU 78 Cb -0.12 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1l2w s LEU 78 CO 0.02 -0.02 0.13 -1.54 -1.32 0.00 0.00 176.35 173.62 1l2w n SER 79 N 4.29 -0.34 -3.92 3.68 3.41 0.98 -4.96 113.62 116.77 1l2w n SER 79 Ca -0.10 -1.94 -0.14 0.00 -0.26 0.00 0.00 58.87 56.43 1l2w n SER 79 Cb 0.51 0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 65.08 1l2w n SER 79 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1l2w s TRP 80 N -2.73 0.27 -0.47 7.33 -0.11 -1.26 -0.27 118.94 121.69 1l2w s TRP 80 Ca 0.17 -0.05 -0.11 0.00 1.22 0.00 0.00 56.10 57.33 1l2w s TRP 80 Cb 0.01 -0.18 0.11 0.00 -1.50 0.00 0.00 33.47 31.91 1l2w s TRP 80 CO 0.12 -0.01 0.36 0.34 -4.62 0.00 0.00 176.95 173.15 1l2w s ASP 81 N -0.05 5.84 0.30 5.86 2.15 0.29 -4.88 116.67 126.18 1l2w s ASP 81 Ca 0.01 -1.72 -0.02 0.00 0.43 0.00 0.00 52.55 51.25 1l2w s ASP 81 Cb -0.01 -2.07 0.44 0.00 -0.30 0.00 0.00 42.92 40.98 1l2w s ASP 81 CO -0.00 -0.69 1.94 -0.33 -0.17 0.00 0.00 175.17 175.93 1l2w h GLU 82 N 8.57 1.04 -0.20 4.34 4.39 -1.97 0.24 114.58 130.99 1l2w h GLU 82 Ca -0.24 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 1l2w h GLU 82 Cb 1.09 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1l2w h GLU 82 CO 0.88 0.72 0.11 0.28 -1.16 0.00 0.00 179.01 179.84 1l2w h VAL 83 N 1.06 1.10 -0.00 3.13 2.07 -1.97 -3.18 116.25 118.46 1l2w h VAL 83 Ca 0.28 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1l2w h VAL 83 Cb -0.06 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1l2w h VAL 83 CO -0.05 0.10 -0.67 0.61 0.02 0.00 0.00 177.57 177.57 1l2w n GLY 84 N -0.96 -0.91 2.94 2.17 0.00 -1.16 -5.00 105.19 102.28 1l2w n GLY 84 Ca -0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1l2w n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l2w n GLY 85 N 1.47 -0.34 3.02 -0.02 0.00 0.84 -5.05 105.19 105.11 1l2w n GLY 85 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1l2w n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l2w s HIS 86 N -3.30 0.14 0.39 1.61 3.76 -1.11 -5.00 115.29 111.79 1l2w s HIS 86 Ca 0.09 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 1l2w s HIS 86 Cb -0.01 -0.11 -0.10 0.00 1.11 0.00 0.00 32.58 33.46 1l2w s HIS 86 CO 0.59 -0.21 0.86 -1.25 -0.85 0.00 0.00 174.74 173.89 1l2w s PRO 87 N -1.26 4.11 -0.04 8.40 0.04 -1.26 -0.55 135.00 144.44 1l2w s PRO 87 Ca -0.14 0.92 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1l2w s PRO 87 Cb -0.08 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1l2w s PRO 87 CO 0.00 0.03 -0.05 0.08 0.04 0.00 0.00 177.00 177.10 1l2w s VAL 88 N -2.14 0.56 -0.18 -0.36 1.01 0.62 -4.14 120.40 115.78 1l2w s VAL 88 Ca 0.58 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1l2w s VAL 88 Cb -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1l2w s VAL 88 CO 0.16 0.23 -0.05 -0.22 0.00 0.00 0.00 175.10 175.22 1l2w s LEU 89 N 0.86 3.02 0.06 3.92 2.96 -0.54 -0.01 118.68 128.95 1l2w s LEU 89 Ca -0.12 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 1l2w s LEU 89 Cb -0.14 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1l2w s LEU 89 CO 0.01 0.08 0.18 -1.66 -1.32 0.00 0.00 176.35 173.64 1l2w s TRP 90 N 0.86 0.11 0.12 5.38 1.48 -0.48 -1.41 118.94 124.99 1l2w s TRP 90 Ca -0.01 -0.41 -0.01 0.00 -1.06 0.00 0.00 56.10 54.60 1l2w s TRP 90 Cb -0.15 -0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.07 1l2w s TRP 90 CO 0.01 -0.47 0.05 0.54 -4.06 0.00 0.00 176.95 173.02 1l2w s ASN 91 N -2.39 0.34 -0.07 -2.66 2.20 -0.49 0.02 114.94 111.89 1l2w s ASN 91 Ca -0.01 -1.16 -0.20 0.00 -0.94 0.00 0.00 52.86 50.55 1l2w s ASN 91 Cb 0.01 0.28 0.04 0.00 -2.00 0.00 0.00 41.25 39.59 1l2w s ASN 91 CO -0.07 -0.71 0.47 -0.60 -2.94 0.00 0.00 177.10 173.25 1l2w s ARG 92 N -4.02 0.76 0.05 3.55 3.52 -1.26 -1.50 118.95 120.04 1l2w s ARG 92 Ca 0.21 0.16 -0.17 0.00 -0.13 0.00 0.00 55.73 55.80 1l2w s ARG 92 Cb 0.07 0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.85 1l2w s ARG 92 CO -0.01 -0.20 0.39 1.14 -0.81 0.00 0.00 175.30 175.82 1l2w s GLN 93 N -0.89 0.90 0.41 5.12 -2.07 -0.87 -4.80 119.66 117.47 1l2w s GLN 93 Ca -0.09 -0.40 -0.27 0.00 -1.82 0.00 0.00 55.36 52.78 1l2w s GLN 93 Cb -0.03 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 1l2w s GLN 93 CO 0.05 -0.31 1.46 -2.14 -1.32 0.00 0.00 175.29 173.04 1l2w s PRO 94 N -2.53 3.94 0.21 9.60 0.02 -1.26 -0.48 135.00 144.50 1l2w s PRO 94 Ca -0.05 2.52 0.08 0.00 0.02 0.00 0.00 61.00 63.56 1l2w s PRO 94 Cb -0.01 -2.85 0.12 0.00 0.02 0.00 0.00 34.50 31.79 1l2w s PRO 94 CO -0.03 -0.65 1.47 1.25 -0.33 0.00 0.00 177.00 178.71 1l2w h LEU 95 N 2.73 0.07 -0.11 -5.54 5.85 -1.09 -2.94 115.31 114.28 1l2w h LEU 95 Ca -0.51 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1l2w h LEU 95 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1l2w h LEU 95 CO 0.63 0.81 -0.06 -0.46 -0.34 0.00 0.00 178.44 179.02 1l2w n ASN 96 N -3.66 0.24 -3.24 1.25 6.94 -1.26 -4.16 115.26 111.37 1l2w n ASN 96 Ca -0.01 -0.40 -0.25 0.00 -0.02 0.00 0.00 54.58 53.90 1l2w n ASN 96 Cb 0.74 -0.16 -0.07 0.00 -2.36 0.00 0.00 39.78 37.93 1l2w n ASN 96 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1l2w n SER 97 N -1.11 0.61 -4.69 0.53 2.88 -1.11 -5.11 113.62 105.62 1l2w n SER 97 Ca 0.15 -2.77 -0.40 0.00 -1.33 0.00 0.00 58.87 54.52 1l2w n SER 97 Cb 0.25 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.02 1l2w n SER 97 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1l2w s LEU 98 N -1.26 4.25 0.01 2.46 1.43 -1.23 -4.31 118.68 120.03 1l2w s LEU 98 Ca 0.35 1.06 -0.34 0.00 -1.03 0.00 0.00 54.13 54.17 1l2w s LEU 98 Cb 0.15 -3.02 -0.13 0.00 0.03 0.00 0.00 46.19 43.23 1l2w s LEU 98 CO -0.10 -0.19 1.74 -0.67 0.23 0.00 0.00 176.35 177.36 1l2w n ASP 99 N 4.33 3.22 -2.56 2.29 -0.08 -1.25 -0.17 116.55 122.33 1l2w n ASP 99 Ca -0.01 1.02 -0.19 0.00 -1.51 0.00 0.00 54.79 54.10 1l2w n ASP 99 Cb 0.51 -1.38 -0.00 0.00 2.34 0.00 0.00 41.12 42.58 1l2w n ASP 99 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1l2w n ASN 100 N 5.22 -5.32 -4.09 1.67 3.02 -1.26 -2.09 115.26 112.41 1l2w n ASN 100 Ca 0.20 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.43 1l2w n ASN 100 Cb 0.28 -4.42 -0.04 0.00 -0.61 0.00 0.00 39.78 34.99 1l2w n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1l2w n ASN 101 N -2.06 -0.61 -3.61 6.41 3.02 0.77 -4.90 115.26 114.27 1l2w n ASN 101 Ca -0.19 -1.15 -0.00 0.00 -0.03 0.00 0.00 54.58 53.21 1l2w n ASN 101 Cb 0.65 -2.34 -0.01 0.00 -0.61 0.00 0.00 39.78 37.47 1l2w n ASN 101 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1l2w s SER 102 N -4.22 -0.08 0.00 6.41 0.15 -0.89 -5.02 113.70 110.05 1l2w s SER 102 Ca 0.09 -0.09 0.22 0.00 0.70 0.00 0.00 55.95 56.87 1l2w s SER 102 Cb -0.04 0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 64.34 1l2w s SER 102 CO 0.94 -0.28 1.02 0.18 1.20 0.00 0.00 173.24 176.30 1l2w n LEU 103 N -0.36 1.64 -0.12 3.45 4.77 -1.26 -3.95 117.00 121.17 1l2w n LEU 103 Ca -0.06 -0.66 -0.05 0.00 -0.03 0.00 0.00 56.01 55.22 1l2w n LEU 103 Cb 0.61 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1l2w n LEU 103 CO 0.11 0.33 0.76 0.22 -1.33 0.00 0.00 177.39 177.48 1l2w h TYR 104 N 1.51 -0.32 -0.52 -1.77 5.03 -1.94 -1.76 116.97 117.21 1l2w h TYR 104 Ca 0.00 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 1l2w h TYR 104 Cb 0.66 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 1l2w h TYR 104 CO 0.00 -0.22 0.06 1.15 -1.32 0.00 0.00 178.16 177.83 1l2w h THR 105 N -0.05 1.24 -0.56 1.81 2.02 -1.85 -1.18 112.91 114.34 1l2w h THR 105 Ca 0.20 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 1l2w h THR 105 Cb 0.35 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1l2w h THR 105 CO -0.45 0.34 0.22 -0.61 0.37 0.00 0.00 175.52 175.39 1l2w h GLN 106 N 0.79 0.84 -0.35 6.66 4.15 -1.68 -0.63 115.11 124.88 1l2w h GLN 106 Ca 0.16 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1l2w h GLN 106 Cb 0.39 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1l2w h GLN 106 CO 0.01 0.73 -0.01 1.25 -1.93 0.00 0.00 178.83 178.88 1l2w h LEU 107 N 0.76 0.61 -1.07 -2.39 5.85 -1.09 -1.87 115.31 116.11 1l2w h LEU 107 Ca 0.19 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1l2w h LEU 107 Cb 0.21 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1l2w h LEU 107 CO -0.01 0.78 0.34 -0.08 -0.34 0.00 0.00 178.44 179.12 1l2w h GLU 108 N 0.42 0.99 -0.11 1.25 4.81 -1.05 -1.39 114.58 119.51 1l2w h GLU 108 Ca 0.10 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1l2w h GLU 108 Cb 0.47 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1l2w h GLU 108 CO 0.02 0.76 -0.41 0.52 -0.73 0.00 0.00 179.01 179.17 1l2w h MET 109 N 0.99 0.24 -0.08 1.92 2.86 -0.89 -1.61 114.93 118.35 1l2w h MET 109 Ca 0.24 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1l2w h MET 109 Cb 0.10 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1l2w h MET 109 CO -0.03 0.61 -0.03 1.25 1.06 0.00 0.00 176.91 179.77 1l2w h LEU 110 N 0.20 0.16 -0.98 1.22 5.85 -0.51 -1.77 115.31 119.48 1l2w h LEU 110 Ca 0.02 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1l2w h LEU 110 Cb 0.81 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1l2w h LEU 110 CO 0.06 0.53 0.07 -0.37 -0.34 0.00 0.00 178.44 178.39 1l2w h VAL 111 N -0.20 1.23 -0.56 1.05 -1.51 -1.24 -1.11 116.25 113.91 1l2w h VAL 111 Ca 0.02 -0.90 -0.07 0.00 -1.23 0.00 0.00 66.70 64.52 1l2w h VAL 111 Cb 0.46 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 1l2w h VAL 111 CO 0.01 0.33 0.08 1.56 -1.23 0.00 0.00 177.57 178.31 1l2w h GLN 112 N 0.78 0.90 -0.63 5.19 4.20 -1.25 -0.06 115.11 124.23 1l2w h GLN 112 Ca 0.16 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1l2w h GLN 112 Cb 0.36 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1l2w h GLN 112 CO 0.01 0.85 0.16 0.78 -0.67 0.00 0.00 178.83 179.95 1l2w h GLY 113 N 1.00 1.07 0.90 3.46 0.00 -0.64 -1.67 103.07 107.19 1l2w h GLY 113 Ca 0.17 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1l2w h GLY 113 CO 0.01 0.60 -0.12 0.00 0.00 0.00 0.00 176.54 177.03 1l2w h ALA 114 N 1.22 0.42 -0.93 3.60 0.00 -0.63 -2.68 119.26 120.26 1l2w h ALA 114 Ca 0.20 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1l2w h ALA 114 Cb 0.33 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1l2w h ALA 114 CO -0.00 0.28 0.60 0.93 0.00 0.00 0.00 179.25 181.06 1l2w h GLU 115 N 0.36 1.12 -0.34 0.00 5.08 -0.85 -0.11 114.58 119.84 1l2w h GLU 115 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l2w h GLU 115 Cb 0.63 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1l2w h GLU 115 CO 0.04 0.74 0.20 -0.09 -1.00 0.00 0.00 179.01 178.90 1l2w h ARG 116 N 1.15 0.46 -0.38 2.33 2.43 -1.16 -0.24 114.38 118.98 1l2w h ARG 116 Ca 0.37 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1l2w h ARG 116 Cb 0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1l2w h ARG 116 CO -0.13 0.35 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.52 1l2w h LEU 117 N 0.44 0.65 -0.45 3.80 3.38 -1.10 -3.01 115.31 119.00 1l2w h LEU 117 Ca 0.12 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1l2w h LEU 117 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1l2w h LEU 117 CO -0.02 0.78 -0.59 -0.61 0.09 0.00 0.00 178.44 178.08 1l2w h GLN 118 N 0.61 0.58 -0.84 1.13 4.15 -0.72 -3.32 115.11 116.70 1l2w h GLN 118 Ca 0.11 -0.39 -0.33 0.00 0.77 0.00 0.00 58.65 58.81 1l2w h GLN 118 Cb 0.52 0.05 -0.20 0.00 0.21 0.00 0.00 27.48 28.07 1l2w h GLN 118 CO 0.03 1.00 0.42 0.25 -1.93 0.00 0.00 178.83 178.60 1l2w n THR 119 N -3.94 3.05 1.98 2.39 -2.24 -0.13 -4.97 114.28 110.42 1l2w n THR 119 Ca -0.04 -1.75 0.16 0.00 -2.27 0.00 0.00 64.05 60.15 1l2w n THR 119 Cb 0.63 -0.40 0.94 0.00 -2.10 0.00 0.00 70.33 69.40 1l2w n THR 119 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96