#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2w s SER 3 N 0.00 4.89 0.19 7.72 1.04 -1.26 -4.85 113.70 121.43 1l2w s SER 3 Ca 0.00 -0.62 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 1l2w s SER 3 Cb 0.00 -0.89 0.19 0.00 0.10 0.00 0.00 66.02 65.42 1l2w s SER 3 CO 0.00 -0.21 1.71 0.15 0.98 0.00 0.00 173.24 175.87 1l2w h PHE 4 N 1.55 0.13 -0.83 5.02 3.57 -2.00 -2.04 116.94 122.34 1l2w h PHE 4 Ca -0.45 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.15 1l2w h PHE 4 Cb 1.25 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 1l2w h PHE 4 CO 0.61 -0.03 0.51 0.93 -2.23 0.00 0.00 178.31 178.10 1l2w h GLU 5 N 0.21 0.89 -0.17 1.11 3.07 -1.95 -1.44 114.58 116.31 1l2w h GLU 5 Ca 0.25 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.89 1l2w h GLU 5 Cb 0.34 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1l2w h GLU 5 CO -0.34 0.59 -0.57 1.96 -1.40 0.00 0.00 179.01 179.25 1l2w h GLN 6 N 0.92 0.53 -0.02 2.33 4.20 -1.85 -1.84 115.11 119.38 1l2w h GLN 6 Ca 0.37 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1l2w h GLN 6 Cb 0.19 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1l2w h GLN 6 CO -0.18 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 178.94 1l2w h ALA 7 N 0.97 0.02 -0.39 3.87 0.00 -0.91 -1.53 119.26 121.29 1l2w h ALA 7 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1l2w h ALA 7 Cb 1.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1l2w h ALA 7 CO 0.11 -0.36 0.22 0.82 0.00 0.00 0.00 179.25 180.04 1l2w h ILE 8 N -0.20 1.03 -0.61 0.00 1.08 -1.29 -0.59 117.51 116.92 1l2w h ILE 8 Ca 0.01 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1l2w h ILE 8 Cb 0.24 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 1l2w h ILE 8 CO 0.00 0.08 0.38 0.74 -0.69 0.00 0.00 178.15 178.67 1l2w h THR 9 N 0.45 1.10 -0.64 -0.27 2.02 -1.23 0.35 112.91 114.69 1l2w h THR 9 Ca 0.16 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1l2w h THR 9 Cb 0.02 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1l2w h THR 9 CO -0.08 0.14 0.14 -0.61 0.37 0.00 0.00 175.52 175.48 1l2w h GLN 10 N 0.76 1.04 0.30 6.66 4.15 -0.94 -2.23 115.11 124.85 1l2w h GLN 10 Ca 0.24 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1l2w h GLN 10 Cb -0.02 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1l2w h GLN 10 CO -0.08 0.94 -0.17 1.25 -1.93 0.00 0.00 178.83 178.84 1l2w h LEU 11 N 0.96 -0.41 -1.12 -2.39 5.85 -0.45 -1.26 115.31 116.49 1l2w h LEU 11 Ca 0.20 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.06 1l2w h LEU 11 Cb 0.39 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1l2w h LEU 11 CO 0.01 -0.27 0.61 -0.26 -0.34 0.00 0.00 178.44 178.18 1l2w h PHE 12 N -0.44 1.03 -0.40 1.25 -1.00 -0.87 -0.50 116.94 116.02 1l2w h PHE 12 Ca -0.03 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 1l2w h PHE 12 Cb 0.35 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 1l2w h PHE 12 CO -0.08 0.41 -0.19 1.96 -1.61 0.00 0.00 178.31 178.80 1l2w h GLN 13 N 0.90 0.76 0.00 1.51 4.20 -1.06 0.34 115.11 121.76 1l2w h GLN 13 Ca 0.47 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1l2w h GLN 13 Cb 0.53 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1l2w h GLN 13 CO -0.23 0.90 -0.39 1.96 -0.67 0.00 0.00 178.83 180.40 1l2w h GLN 14 N 0.67 0.00 -0.15 1.46 4.20 0.02 -2.58 115.11 118.74 1l2w h GLN 14 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1l2w h GLN 14 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1l2w h GLN 14 CO 0.05 0.39 0.00 1.28 -0.67 0.00 0.00 178.83 179.88 1l2w n LEU 15 N -3.78 1.91 -3.54 1.46 4.77 -0.33 -4.94 117.00 112.56 1l2w n LEU 15 Ca -0.01 -0.76 -0.23 0.00 -0.03 0.00 0.00 56.01 54.98 1l2w n LEU 15 Cb 0.46 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1l2w n LEU 15 CO 0.38 0.38 0.24 -1.20 -1.33 0.00 0.00 177.39 175.86 1l2w n SER 16 N 0.48 -6.30 -4.74 -1.43 7.64 -0.42 -4.99 113.62 103.86 1l2w n SER 16 Ca 0.17 -0.53 -0.35 0.00 1.01 0.00 0.00 58.87 59.17 1l2w n SER 16 Cb 0.38 -4.95 -0.08 0.00 -1.01 0.00 0.00 64.21 58.55 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 -7.19 3.79 0.26 -3.43 1.43 0.11 -5.02 118.68 108.64 1l2w s LEU 17 Ca 0.58 0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 53.56 1l2w s LEU 17 Cb -0.25 -1.97 -0.11 0.00 0.03 0.00 0.00 46.19 43.88 1l2w s LEU 17 CO 0.72 0.36 1.63 -0.94 0.23 0.00 0.00 176.35 178.35 1l2w s SER 18 N -1.14 6.38 -0.20 2.29 1.04 -1.26 -4.43 113.70 116.38 1l2w s SER 18 Ca 0.16 2.92 -0.28 0.00 0.48 0.00 0.00 55.95 59.23 1l2w s SER 18 Cb -0.12 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.38 1l2w s SER 18 CO 0.06 -0.93 0.97 -0.63 0.98 0.00 0.00 173.24 173.68 1l2w s ILE 19 N 0.39 4.75 0.34 -1.02 1.01 -1.26 -5.00 121.20 120.41 1l2w s ILE 19 Ca 0.67 1.91 -0.28 0.00 0.00 0.00 0.00 60.65 62.95 1l2w s ILE 19 Cb -0.48 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.61 1l2w s ILE 19 CO 0.43 -0.09 1.30 -2.65 0.00 0.00 0.00 174.94 173.93 1l2w n PRO 20 N 5.83 2.17 -0.27 2.79 -0.02 -1.26 -4.89 135.00 139.35 1l2w n PRO 20 Ca 0.09 0.76 0.01 0.00 -2.02 0.00 0.00 63.50 62.35 1l2w n PRO 20 Cb 0.47 -2.35 0.22 0.00 -0.02 0.00 0.00 33.50 31.82 1l2w n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1l2w h ASP 21 N 2.58 0.92 -3.29 2.55 1.82 -2.05 -3.39 116.42 115.55 1l2w h ASP 21 Ca -0.46 -0.02 -0.52 0.00 -0.39 0.00 0.00 57.03 55.64 1l2w h ASP 21 Cb 1.28 -0.22 -0.35 0.00 0.68 0.00 0.00 39.33 40.72 1l2w h ASP 21 CO 0.63 0.64 -0.81 -0.89 -1.61 0.00 0.00 179.24 177.20 1l2w s THR 22 N -5.91 1.07 -0.64 2.25 2.01 -1.26 -5.10 115.64 108.07 1l2w s THR 22 Ca -0.11 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 1l2w s THR 22 Cb 0.18 -1.04 0.06 0.00 0.01 0.00 0.00 72.50 71.72 1l2w s THR 22 CO 0.79 0.36 0.97 -0.63 -0.69 0.00 0.00 174.62 175.42 1l2w s ILE 23 N 1.23 4.32 0.82 1.82 1.01 -1.26 -5.03 121.20 124.10 1l2w s ILE 23 Ca -0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 1l2w s ILE 23 Cb -0.14 -4.66 0.09 0.00 0.01 0.00 0.00 42.46 37.76 1l2w s ILE 23 CO -0.03 -1.39 1.12 -1.61 0.00 0.00 0.00 174.94 173.03 1l2w s GLU 24 N 4.10 1.79 0.62 2.79 0.41 -1.26 -4.92 118.70 122.24 1l2w s GLU 24 Ca 0.24 1.36 0.39 0.00 -0.41 0.00 0.00 54.97 56.56 1l2w s GLU 24 Cb -0.16 -1.83 2.06 0.00 -1.78 0.00 0.00 34.13 32.43 1l2w s GLU 24 CO 0.12 -2.02 2.26 -1.00 -0.49 0.00 0.00 175.26 174.13 1l2w h PRO 25 N -1.31 0.00 -4.01 0.39 0.13 -1.96 -3.37 132.00 121.87 1l2w h PRO 25 Ca -0.44 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 1l2w h PRO 25 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1l2w h PRO 25 CO 0.48 0.01 -0.78 0.08 -0.23 0.00 0.00 178.00 177.56 1l2w s VAL 26 N -4.13 1.07 -0.06 1.56 1.01 -1.26 -4.22 120.40 114.37 1l2w s VAL 26 Ca -0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 1l2w s VAL 26 Cb 0.13 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1l2w s VAL 26 CO 0.47 -0.11 0.21 -0.63 0.00 0.00 0.00 175.10 175.04 1l2w s ILE 27 N 1.61 5.38 -0.10 2.22 -1.09 0.40 -4.92 121.20 124.71 1l2w s ILE 27 Ca -0.03 0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.69 1l2w s ILE 27 Cb -0.18 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1l2w s ILE 27 CO -0.07 0.53 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.11 1l2w s GLY 28 N -1.27 1.30 0.03 6.18 0.00 -1.26 0.01 107.32 112.31 1l2w s GLY 28 Ca 0.20 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.03 1l2w s GLY 28 CO 0.09 -0.32 -0.16 0.14 0.00 0.00 0.00 173.10 172.86 1l2w s VAL 29 N 0.34 1.25 -0.27 1.40 1.01 0.30 -4.98 120.40 119.45 1l2w s VAL 29 Ca -0.18 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1l2w s VAL 29 Cb -0.18 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1l2w s VAL 29 CO 0.09 0.14 0.01 -0.75 0.00 0.00 0.00 175.10 174.58 1l2w s LYS 30 N -0.93 3.01 -0.29 2.72 2.47 -1.26 0.89 119.74 126.35 1l2w s LYS 30 Ca 0.04 -0.89 -0.00 0.00 -1.56 0.00 0.00 55.97 53.56 1l2w s LYS 30 Cb -0.07 -3.18 0.05 0.00 -1.46 0.00 0.00 37.83 33.17 1l2w s LYS 30 CO 0.01 -0.40 -0.03 0.08 0.16 0.00 0.00 175.35 175.17 1l2w s VAL 31 N 1.42 2.75 0.00 4.02 1.01 -0.05 -4.99 120.40 124.56 1l2w s VAL 31 Ca 0.02 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1l2w s VAL 31 Cb -0.17 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1l2w s VAL 31 CO -0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1l2w n GLY 32 N 4.56 3.94 0.33 4.51 0.00 -1.26 -1.28 105.19 115.99 1l2w n GLY 32 Ca -0.13 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1l2w n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1l2w n GLU 33 N 13.84 0.97 -3.77 1.61 0.28 -1.26 -4.89 120.64 127.43 1l2w n GLU 33 Ca 0.00 -0.66 -0.36 0.00 -0.16 0.00 0.00 57.16 55.97 1l2w n GLU 33 Cb 0.00 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.28 1l2w n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1l2w s PHE 34 N -2.48 3.24 -0.38 -1.84 0.40 -0.41 -5.05 117.98 111.45 1l2w s PHE 34 Ca 0.23 0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.39 1l2w s PHE 34 Cb 0.19 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.50 1l2w s PHE 34 CO 0.53 -0.03 0.65 0.00 0.70 0.00 0.00 175.22 177.07 1l2w s ALA 35 N 1.08 3.42 0.11 5.36 0.00 -1.26 -0.87 121.76 129.60 1l2w s ALA 35 Ca 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1l2w s ALA 35 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1l2w s ALA 35 CO 0.04 -1.48 0.18 0.00 0.00 0.00 0.00 175.76 174.50 1l2w s HIS 37 N -1.59 1.48 -0.05 0.00 3.76 -0.15 -0.54 115.29 118.20 1l2w s HIS 37 Ca 0.33 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.90 1l2w s HIS 37 Cb -0.12 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 1l2w s HIS 37 CO 0.26 -0.13 -0.23 0.42 -0.85 0.00 0.00 174.74 174.21 1l2w s ILE 38 N 0.02 1.87 0.27 0.60 1.01 0.10 -1.17 121.20 123.90 1l2w s ILE 38 Ca -0.02 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 1l2w s ILE 38 Cb -0.10 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1l2w s ILE 38 CO 0.01 0.52 0.70 0.28 0.00 0.00 0.00 174.94 176.46 1l2w s THR 39 N -0.18 0.00 -0.44 2.92 -1.32 -0.34 -0.45 115.64 115.83 1l2w s THR 39 Ca -0.02 -0.90 -0.12 0.00 -1.21 0.00 0.00 61.69 59.45 1l2w s THR 39 Cb -0.12 -1.89 0.08 0.00 -1.51 0.00 0.00 72.50 69.05 1l2w s THR 39 CO 0.03 -0.00 0.32 -0.70 -2.21 0.00 0.00 174.62 172.05 1l2w s GLU 40 N -3.90 2.76 -0.30 7.08 2.12 -1.26 -0.69 118.70 124.51 1l2w s GLU 40 Ca 0.10 -1.42 -0.07 0.00 0.36 0.00 0.00 54.97 53.94 1l2w s GLU 40 Cb -0.05 -3.92 0.15 0.00 0.26 0.00 0.00 34.13 30.56 1l2w s GLU 40 CO 0.05 -0.99 0.62 -1.58 -0.54 0.00 0.00 175.26 172.83 1l2w s HIS 41 N 1.51 -1.40 0.03 5.30 2.46 -0.80 -4.53 115.29 117.85 1l2w s HIS 41 Ca 0.03 2.11 -0.01 0.00 0.47 0.00 0.00 55.06 57.67 1l2w s HIS 41 Cb -0.24 0.71 0.01 0.00 -0.13 0.00 0.00 32.58 32.93 1l2w s HIS 41 CO 0.04 -0.73 0.03 -0.35 -2.47 0.00 0.00 174.74 171.26 1l2w n PRO 42 N 5.44 -0.63 -1.84 2.88 -0.04 -1.26 -4.54 135.00 135.00 1l2w n PRO 42 Ca -0.08 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 1l2w n PRO 42 Cb 0.50 -0.04 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 1l2w n PRO 42 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1l2w s VAL 43 N -1.07 2.51 0.00 0.52 1.01 -1.26 -1.99 120.40 120.12 1l2w s VAL 43 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1l2w s VAL 43 Cb -0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1l2w s VAL 43 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1l2w n GLY 44 N 3.93 0.73 3.02 4.51 0.00 -1.26 -5.05 105.19 111.07 1l2w n GLY 44 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.72 1.38 -0.37 1.61 -1.52 -0.84 -0.70 119.66 118.49 1l2w s GLN 45 Ca 0.00 -0.37 -0.16 0.00 -1.95 0.00 0.00 55.36 52.88 1l2w s GLN 45 Cb 0.00 -1.20 0.00 0.00 -0.22 0.00 0.00 33.01 31.59 1l2w s GLN 45 CO 0.00 0.07 0.39 0.42 -0.25 0.00 0.00 175.29 175.92 1l2w s ILE 46 N 0.46 5.14 -0.14 1.08 -1.09 0.58 -1.91 121.20 125.31 1l2w s ILE 46 Ca -0.09 -0.12 -0.05 0.00 -2.23 0.00 0.00 60.65 58.16 1l2w s ILE 46 Cb -0.13 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1l2w s ILE 46 CO 0.02 -0.23 0.05 -0.22 -1.23 0.00 0.00 174.94 173.33 1l2w s LEU 47 N 2.06 3.78 -0.01 2.97 2.96 0.13 -2.10 118.68 128.48 1l2w s LEU 47 Ca 0.12 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1l2w s LEU 47 Cb -0.17 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1l2w s LEU 47 CO 0.12 0.28 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.23 1l2w s MET 48 N -0.26 1.33 0.12 1.98 -1.94 -0.69 -1.20 119.30 118.63 1l2w s MET 48 Ca 0.08 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.32 1l2w s MET 48 Cb -0.12 -1.29 0.03 0.00 2.01 0.00 0.00 34.83 35.46 1l2w s MET 48 CO 0.02 0.35 0.38 -0.59 -0.01 0.00 0.00 175.02 175.17 1l2w s PHE 49 N -0.38 -0.18 0.14 -0.03 -0.12 -0.31 -1.63 117.98 115.47 1l2w s PHE 49 Ca 0.06 -0.13 -0.15 0.00 -0.05 0.00 0.00 56.93 56.66 1l2w s PHE 49 Cb -0.06 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.58 1l2w s PHE 49 CO -0.01 -0.68 0.39 -0.08 -0.05 0.00 0.00 175.22 174.80 1l2w s THR 50 N -3.70 0.07 -0.49 -4.49 -1.32 -0.18 -0.97 115.64 104.55 1l2w s THR 50 Ca 0.02 -0.74 -0.11 0.00 -1.21 0.00 0.00 61.69 59.66 1l2w s THR 50 Cb 0.02 -1.31 0.12 0.00 -1.51 0.00 0.00 72.50 69.82 1l2w s THR 50 CO -0.11 -0.31 0.39 -0.76 -2.21 0.00 0.00 174.62 171.61 1l2w s LEU 51 N -2.84 5.82 0.93 9.08 1.02 -1.26 -1.00 118.68 130.43 1l2w s LEU 51 Ca 0.05 -1.85 -0.14 0.00 0.02 0.00 0.00 54.13 52.22 1l2w s LEU 51 Cb 0.02 -2.07 0.19 0.00 0.02 0.00 0.00 46.19 44.34 1l2w s LEU 51 CO -0.09 -0.74 1.28 -2.16 0.02 0.00 0.00 176.35 174.66 1l2w s PRO 52 N 1.44 0.81 -0.30 1.29 0.04 -1.26 -4.96 135.00 132.07 1l2w s PRO 52 Ca 0.05 -0.49 -0.04 0.00 0.04 0.00 0.00 61.00 60.56 1l2w s PRO 52 Cb -0.27 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1l2w s PRO 52 CO 0.01 -2.27 0.03 -1.12 0.04 0.00 0.00 177.00 173.69 1l2w s SER 53 N -4.86 4.92 0.51 6.66 0.01 -1.26 -4.78 113.70 114.90 1l2w s SER 53 Ca 0.73 -0.99 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 1l2w s SER 53 Cb -0.04 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1l2w s SER 53 CO 0.52 -0.23 0.85 -0.76 0.41 0.00 0.00 173.24 174.03 1l2w s LEU 54 N 1.37 3.54 -0.19 2.44 1.43 -1.26 -4.63 118.68 121.38 1l2w s LEU 54 Ca -0.01 1.06 -0.08 0.00 -1.03 0.00 0.00 54.13 54.07 1l2w s LEU 54 Cb -0.18 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1l2w s LEU 54 CO 0.00 -0.64 0.09 -0.62 0.23 0.00 0.00 176.35 175.40 1l2w s ASP 55 N -4.08 5.85 0.15 2.29 -1.08 -1.26 -5.01 116.67 113.54 1l2w s ASP 55 Ca 0.49 0.14 -0.16 0.00 -0.52 0.00 0.00 52.55 52.50 1l2w s ASP 55 Cb -0.10 -2.01 0.05 0.00 -1.46 0.00 0.00 42.92 39.39 1l2w s ASP 55 CO 0.47 0.18 1.76 0.78 0.52 0.00 0.00 175.17 178.88 1l2w h ASN 56 N 6.67 0.19 -1.12 -0.34 2.35 -2.01 -2.31 115.58 119.00 1l2w h ASN 56 Ca -0.39 0.03 0.32 0.00 -0.55 0.00 0.00 56.30 55.71 1l2w h ASN 56 Cb 1.16 -0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.43 1l2w h ASN 56 CO 0.73 0.15 0.72 0.78 -1.65 0.00 0.00 177.43 178.15 1l2w h ASN 57 N 0.31 0.38 -2.61 5.81 -0.26 -2.06 -3.39 115.58 113.75 1l2w h ASN 57 Ca 0.15 0.10 -0.53 0.00 -0.56 0.00 0.00 56.30 55.46 1l2w h ASN 57 Cb 0.10 0.05 0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1l2w h ASN 57 CO -0.14 -0.00 1.06 -1.81 -1.06 0.00 0.00 177.43 175.48 1l2w s ASP 58 N -5.03 6.56 0.74 5.81 1.01 -0.87 -4.99 116.67 119.90 1l2w s ASP 58 Ca -0.08 2.53 -0.04 0.00 0.71 0.00 0.00 52.55 55.66 1l2w s ASP 58 Cb 0.27 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.76 1l2w s ASP 58 CO 0.80 -0.93 1.03 -1.61 0.21 0.00 0.00 175.17 174.67 1l2w s GLU 59 N 3.05 1.69 0.22 8.23 2.02 -1.26 -4.84 118.70 127.80 1l2w s GLU 59 Ca 0.77 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.86 1l2w s GLU 59 Cb -0.40 -2.24 0.30 0.00 0.10 0.00 0.00 34.13 31.88 1l2w s GLU 59 CO 0.34 -1.49 1.78 1.57 0.02 0.00 0.00 175.26 177.47 1l2w h LYS 60 N -0.66 0.55 -0.47 1.61 2.10 -1.96 -0.97 116.57 116.77 1l2w h LYS 60 Ca -0.40 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1l2w h LYS 60 Cb 1.27 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 1l2w h LYS 60 CO 0.45 0.36 0.31 0.93 -2.00 0.00 0.00 179.45 179.50 1l2w h GLU 61 N 0.57 0.62 -0.67 0.07 3.07 -1.98 0.85 114.58 117.11 1l2w h GLU 61 Ca 0.33 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.07 1l2w h GLU 61 Cb 0.33 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1l2w h GLU 61 CO -0.26 0.41 0.10 1.15 -1.40 0.00 0.00 179.01 179.02 1l2w h THR 62 N 0.64 1.26 -0.36 1.13 2.02 -1.79 -1.16 112.91 114.65 1l2w h THR 62 Ca 0.17 -1.04 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 1l2w h THR 62 Cb -0.07 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1l2w h THR 62 CO -0.04 0.39 -0.20 -0.07 0.37 0.00 0.00 175.52 175.97 1l2w h LEU 63 N 1.03 0.80 -1.37 2.58 3.38 -0.87 -3.00 115.31 117.86 1l2w h LEU 63 Ca 0.20 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1l2w h LEU 63 Cb 0.44 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1l2w h LEU 63 CO 0.01 1.05 -0.01 -0.07 0.09 0.00 0.00 178.44 179.51 1l2w h LEU 64 N 0.56 0.00 -1.72 1.67 3.38 -0.69 -2.98 115.31 115.53 1l2w h LEU 64 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1l2w h LEU 64 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1l2w h LEU 64 CO 0.06 0.01 -0.17 0.28 0.09 0.00 0.00 178.44 178.71 1l2w h SER 65 N 0.00 0.00 0.66 -0.43 0.02 -1.06 -2.33 113.55 110.41 1l2w h SER 65 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1l2w h SER 65 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1l2w h SER 65 CO 0.00 0.17 -0.04 0.45 -1.14 0.00 0.00 176.83 176.28 1l2w h HIS 66 N 0.00 0.00 -0.12 3.45 3.86 -1.63 -3.11 115.15 117.61 1l2w h HIS 66 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1l2w h HIS 66 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1l2w h HIS 66 CO 0.00 0.04 0.00 0.09 0.86 0.00 0.00 177.93 178.92 1l2w n ASN 67 N -3.20 1.74 -4.77 2.45 5.03 -0.88 -4.82 115.26 110.81 1l2w n ASN 67 Ca -0.01 -1.66 -0.40 0.00 0.87 0.00 0.00 54.58 53.38 1l2w n ASN 67 Cb 0.25 -0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 38.91 1l2w n ASN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1l2w s ILE 68 N -1.86 2.79 0.71 2.41 1.10 -1.18 -4.98 121.20 120.19 1l2w s ILE 68 Ca 0.34 0.78 -0.13 0.00 -0.51 0.00 0.00 60.65 61.14 1l2w s ILE 68 Cb 0.19 -3.50 0.03 0.00 0.15 0.00 0.00 42.46 39.33 1l2w s ILE 68 CO 0.29 0.18 1.11 0.72 -2.11 0.00 0.00 174.94 175.13 1l2w s PHE 69 N -1.16 2.53 0.00 3.50 -0.12 -1.26 -5.06 117.98 116.41 1l2w s PHE 69 Ca 0.49 1.56 0.00 0.00 -0.05 0.00 0.00 56.93 58.94 1l2w s PHE 69 Cb -0.39 -3.15 0.00 0.00 -0.63 0.00 0.00 43.02 38.85 1l2w s PHE 69 CO 0.51 -1.82 0.00 -1.13 -0.05 0.00 0.00 175.22 172.73 1l2w n SER 70 N -2.89 0.19 -0.06 1.98 3.41 -1.26 -5.02 113.62 109.98 1l2w n SER 70 Ca 0.10 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1l2w n SER 70 Cb 0.52 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.87 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 0.23 -3.47 4.33 0.00 -1.26 -4.72 117.38 112.49 1l2w n GLN 71 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 57.00 56.46 1l2w n GLN 71 Cb 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.65 1l2w n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1l2w s ASP 72 N -2.84 6.00 0.00 2.61 -1.08 -1.26 -4.94 116.67 115.15 1l2w s ASP 72 Ca 0.16 -1.17 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 1l2w s ASP 72 Cb 0.18 -2.12 0.67 0.00 -1.46 0.00 0.00 42.92 40.19 1l2w s ASP 72 CO 0.61 -0.53 1.39 2.30 0.52 0.00 0.00 175.17 179.46 1l2w n ILE 73 N 5.12 0.75 1.31 4.11 -5.35 -1.26 -2.13 119.36 121.91 1l2w n ILE 73 Ca -0.12 0.19 0.13 0.00 -0.27 0.00 0.00 62.75 62.68 1l2w n ILE 73 Cb 0.45 -0.96 0.36 0.00 -1.74 0.00 0.00 39.64 37.76 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 -1.35 1.85 -4.69 7.28 4.77 -1.26 -4.75 117.00 118.85 1l2w n LEU 74 Ca 0.06 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 1l2w n LEU 74 Cb 0.13 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1l2w n LEU 74 CO 0.11 0.31 1.46 -0.75 -1.33 0.00 0.00 177.39 177.20 1l2w s LYS 75 N -2.10 4.14 0.76 3.23 2.20 -0.91 -4.68 119.74 122.39 1l2w s LYS 75 Ca 0.32 2.58 -0.13 0.00 -0.36 0.00 0.00 55.97 58.39 1l2w s LYS 75 Cb 0.20 -3.60 0.06 0.00 -1.51 0.00 0.00 37.83 32.98 1l2w s LYS 75 CO 0.37 -0.84 1.13 -1.25 -0.36 0.00 0.00 175.35 174.40 1l2w s PRO 76 N 2.74 2.10 -0.15 4.03 0.04 -1.26 -4.87 135.00 137.63 1l2w s PRO 76 Ca 0.80 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 63.25 1l2w s PRO 76 Cb -0.46 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1l2w s PRO 76 CO 0.36 -1.80 -0.05 0.42 0.04 0.00 0.00 177.00 175.97 1l2w s ILE 77 N -2.50 3.79 -0.10 0.56 -1.09 0.23 -4.77 121.20 117.32 1l2w s ILE 77 Ca 0.67 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 58.51 1l2w s ILE 77 Cb -0.22 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1l2w s ILE 77 CO 0.50 0.50 0.51 -0.22 -1.23 0.00 0.00 174.94 175.00 1l2w s LEU 78 N 0.36 4.29 0.00 2.97 2.96 -1.26 -1.34 118.68 126.65 1l2w s LEU 78 Ca -0.05 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 1l2w s LEU 78 Cb -0.14 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.79 1l2w s LEU 78 CO 0.03 -0.00 0.22 -1.54 -1.32 0.00 0.00 176.35 173.74 1l2w n SER 79 N 3.60 -0.57 -3.91 3.68 3.41 0.31 -4.95 113.62 115.19 1l2w n SER 79 Ca -0.07 -2.42 -0.15 0.00 -0.26 0.00 0.00 58.87 55.97 1l2w n SER 79 Cb 0.52 1.24 -0.15 0.00 -0.26 0.00 0.00 64.21 65.56 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 -3.04 0.32 -0.75 7.33 -0.11 -1.26 -0.07 118.94 121.34 1l2w s TRP 80 Ca 0.25 -0.05 -0.15 0.00 1.22 0.00 0.00 56.10 57.37 1l2w s TRP 80 Cb 0.01 -0.24 0.19 0.00 -1.50 0.00 0.00 33.47 31.92 1l2w s TRP 80 CO 0.18 -0.03 0.72 0.34 -4.62 0.00 0.00 176.95 173.54 1l2w s ASP 81 N 0.13 6.59 0.21 5.86 2.15 0.22 -4.86 116.67 126.97 1l2w s ASP 81 Ca -0.01 -2.37 -0.10 0.00 0.43 0.00 0.00 52.55 50.50 1l2w s ASP 81 Cb -0.04 -2.23 0.29 0.00 -0.30 0.00 0.00 42.92 40.65 1l2w s ASP 81 CO -0.00 -0.70 1.71 -0.08 -0.17 0.00 0.00 175.17 175.93 1l2w h GLU 82 N 8.18 0.28 -0.37 4.34 4.81 -1.96 0.48 114.58 130.34 1l2w h GLU 82 Ca -0.01 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1l2w h GLU 82 Cb 1.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1l2w h GLU 82 CO 0.86 0.19 0.24 0.28 -0.73 0.00 0.00 179.01 179.85 1l2w h VAL 83 N 0.29 1.08 0.00 0.32 2.07 -1.96 -2.92 116.25 115.13 1l2w h VAL 83 Ca 0.31 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1l2w h VAL 83 Cb 0.45 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1l2w h VAL 83 CO -0.38 0.09 -0.48 0.61 0.02 0.00 0.00 177.57 177.43 1l2w n GLY 84 N -1.20 -1.29 2.59 2.17 0.00 -0.99 -4.97 105.19 101.51 1l2w n GLY 84 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 1.48 -0.01 3.06 -0.02 0.00 0.17 -5.04 105.19 104.83 1l2w n GLY 85 Ca 0.05 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.01 0.81 0.40 1.61 3.76 -1.06 -4.97 115.29 112.83 1l2w s HIS 86 Ca 0.24 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.60 1l2w s HIS 86 Cb -0.11 -0.49 -0.10 0.00 1.11 0.00 0.00 32.58 32.99 1l2w s HIS 86 CO 0.30 -0.02 0.96 -1.25 -0.85 0.00 0.00 174.74 173.88 1l2w s PRO 87 N -1.01 4.28 -0.08 8.40 0.04 -1.26 0.72 135.00 146.09 1l2w s PRO 87 Ca -0.03 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 1l2w s PRO 87 Cb -0.07 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1l2w s PRO 87 CO 0.01 0.01 -0.05 0.08 0.04 0.00 0.00 177.00 177.08 1l2w s VAL 88 N -1.98 0.76 -0.23 -0.36 1.01 0.90 -4.23 120.40 116.27 1l2w s VAL 88 Ca 0.59 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 1l2w s VAL 88 Cb -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1l2w s VAL 88 CO 0.17 0.31 0.11 -0.22 0.00 0.00 0.00 175.10 175.47 1l2w s LEU 89 N 1.54 3.86 0.07 3.92 2.96 -0.17 -0.53 118.68 130.32 1l2w s LEU 89 Ca 0.00 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1l2w s LEU 89 Cb -0.13 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 1l2w s LEU 89 CO -0.05 0.07 0.18 -1.66 -1.32 0.00 0.00 176.35 173.58 1l2w s TRP 90 N 1.01 0.13 0.17 5.38 1.48 -0.45 -1.02 118.94 125.64 1l2w s TRP 90 Ca 0.06 -0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 54.59 1l2w s TRP 90 Cb -0.14 -0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.07 1l2w s TRP 90 CO 0.04 -0.50 0.09 0.54 -4.06 0.00 0.00 176.95 173.06 1l2w s ASN 91 N -2.59 0.27 -0.05 -2.66 2.20 -0.65 0.76 114.94 112.22 1l2w s ASN 91 Ca 0.02 -1.30 -0.30 0.00 -0.94 0.00 0.00 52.86 50.33 1l2w s ASN 91 Cb 0.03 0.33 0.07 0.00 -2.00 0.00 0.00 41.25 39.68 1l2w s ASN 91 CO -0.09 -0.78 0.67 -0.60 -2.94 0.00 0.00 177.10 173.36 1l2w s ARG 92 N -4.10 1.04 0.08 3.55 3.52 -1.26 -1.71 118.95 120.07 1l2w s ARG 92 Ca 0.32 0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 56.02 1l2w s ARG 92 Cb 0.07 0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.98 1l2w s ARG 92 CO 0.07 -0.32 0.38 1.14 -0.81 0.00 0.00 175.30 175.77 1l2w s GLN 93 N -1.16 0.96 0.15 5.12 -2.07 -0.89 -4.85 119.66 116.92 1l2w s GLN 93 Ca -0.11 -0.54 -0.31 0.00 -1.82 0.00 0.00 55.36 52.58 1l2w s GLN 93 Cb -0.00 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.26 1l2w s GLN 93 CO 0.10 -0.35 1.36 -2.14 -1.32 0.00 0.00 175.29 172.94 1l2w s PRO 94 N -3.07 4.34 0.32 9.60 0.02 -1.26 -0.31 135.00 144.65 1l2w s PRO 94 Ca -0.02 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1l2w s PRO 94 Cb 0.01 -3.22 0.55 0.00 0.02 0.00 0.00 34.50 31.86 1l2w s PRO 94 CO -0.07 -0.37 1.82 1.25 -0.33 0.00 0.00 177.00 179.31 1l2w h LEU 95 N 6.19 0.44 0.00 -5.54 5.85 -1.25 -3.02 115.31 117.98 1l2w h LEU 95 Ca -0.43 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1l2w h LEU 95 Cb 1.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1l2w h LEU 95 CO 0.83 0.60 0.00 -0.46 -0.34 0.00 0.00 178.44 179.07 1l2w n ASN 96 N -4.21 0.00 -0.06 1.25 0.23 -1.26 -2.80 115.26 108.41 1l2w n ASN 96 Ca 0.00 -0.06 0.05 0.00 -0.53 0.00 0.00 54.58 54.04 1l2w n ASN 96 Cb 0.31 -0.24 0.07 0.00 -2.08 0.00 0.00 39.78 37.83 1l2w n ASN 96 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1l2w n SER 97 N -1.24 1.95 -4.77 0.53 3.41 -1.14 -4.96 113.62 107.39 1l2w n SER 97 Ca 0.09 -2.47 -0.37 0.00 -0.26 0.00 0.00 58.87 55.87 1l2w n SER 97 Cb 0.13 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1l2w n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1l2w s LEU 98 N -1.78 4.06 0.00 1.04 1.43 -1.12 -5.05 118.68 117.26 1l2w s LEU 98 Ca 0.15 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1l2w s LEU 98 Cb 0.13 -4.21 -0.00 0.00 0.03 0.00 0.00 46.19 42.14 1l2w s LEU 98 CO 0.01 -0.77 0.00 -0.90 0.23 0.00 0.00 176.35 174.92 1l2w n ASP 99 N -0.33 2.33 -0.02 2.29 5.68 -1.26 -4.92 116.55 120.32 1l2w n ASP 99 Ca 0.06 -1.63 0.12 0.00 -0.50 0.00 0.00 54.79 52.84 1l2w n ASP 99 Cb 0.48 0.11 0.54 0.00 -1.14 0.00 0.00 41.12 41.12 1l2w n ASP 99 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1l2w h ASN 100 N 0.35 0.27 -0.07 -1.12 4.21 -2.03 -3.08 115.58 114.12 1l2w h ASN 100 Ca -0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1l2w h ASN 100 Cb 0.36 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1l2w h ASN 100 CO 0.20 0.17 0.00 0.59 -1.29 0.00 0.00 177.43 177.10 1l2w n ASN 101 N -4.46 2.73 0.10 5.81 5.03 -1.26 -4.71 115.26 118.49 1l2w n ASN 101 Ca 0.07 -1.84 -0.12 0.00 0.87 0.00 0.00 54.58 53.56 1l2w n ASN 101 Cb 0.34 -0.03 -0.06 0.00 -1.02 0.00 0.00 39.78 39.02 1l2w n ASN 101 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1l2w h SER 102 N 3.88 -0.51 -0.20 6.41 0.02 -1.93 -2.03 113.55 119.18 1l2w h SER 102 Ca 0.00 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1l2w h SER 102 Cb 0.83 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1l2w h SER 102 CO 0.00 -0.26 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.24 1l2w h LEU 103 N -0.35 0.58 -0.26 5.07 3.38 -1.84 -0.28 115.31 121.61 1l2w h LEU 103 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1l2w h LEU 103 Cb 0.37 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1l2w h LEU 103 CO -0.11 0.73 0.09 0.22 0.09 0.00 0.00 178.44 179.46 1l2w h TYR 104 N 0.54 0.41 -0.50 1.13 5.03 -1.85 -0.61 116.97 121.12 1l2w h TYR 104 Ca 0.10 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 1l2w h TYR 104 Cb 0.53 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1l2w h TYR 104 CO 0.02 0.45 0.31 1.15 -1.32 0.00 0.00 178.16 178.77 1l2w h THR 105 N 0.25 1.15 -0.80 1.81 2.02 -1.11 -0.88 112.91 115.36 1l2w h THR 105 Ca 0.08 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1l2w h THR 105 Cb 0.23 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1l2w h THR 105 CO -0.00 0.15 0.53 -0.61 0.37 0.00 0.00 175.52 175.96 1l2w h GLN 106 N 0.67 1.05 -0.49 6.66 4.15 -0.82 -0.40 115.11 125.94 1l2w h GLN 106 Ca 0.18 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.43 1l2w h GLN 106 Cb -0.02 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1l2w h GLN 106 CO -0.03 0.70 -0.09 1.25 -1.93 0.00 0.00 178.83 178.72 1l2w h LEU 107 N 1.08 0.93 -0.40 -2.39 5.85 -0.78 -1.47 115.31 118.13 1l2w h LEU 107 Ca 0.29 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1l2w h LEU 107 Cb -0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1l2w h LEU 107 CO -0.06 1.06 0.26 -0.08 -0.34 0.00 0.00 178.44 179.28 1l2w h GLU 108 N 0.78 0.52 -0.39 1.25 4.81 -0.70 -1.24 114.58 119.60 1l2w h GLU 108 Ca 0.13 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1l2w h GLU 108 Cb 0.64 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1l2w h GLU 108 CO 0.04 0.34 0.08 0.52 -0.73 0.00 0.00 179.01 179.27 1l2w h MET 109 N 0.53 0.59 -0.01 1.92 2.86 -0.93 -0.53 114.93 119.36 1l2w h MET 109 Ca 0.15 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1l2w h MET 109 Cb -0.06 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1l2w h MET 109 CO -0.03 0.55 -0.00 1.25 1.06 0.00 0.00 176.91 179.73 1l2w h LEU 110 N 0.57 0.01 -0.51 1.22 5.85 -0.71 -1.63 115.31 120.12 1l2w h LEU 110 Ca 0.13 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1l2w h LEU 110 Cb 0.24 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1l2w h LEU 110 CO -0.00 0.39 0.13 -0.37 -0.34 0.00 0.00 178.44 178.25 1l2w h VAL 111 N -0.36 1.24 -0.60 1.05 -1.51 -1.09 -0.83 116.25 114.14 1l2w h VAL 111 Ca 0.00 -0.83 0.03 0.00 -1.23 0.00 0.00 66.70 64.67 1l2w h VAL 111 Cb 0.39 0.81 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 1l2w h VAL 111 CO 0.00 0.30 0.40 1.56 -1.23 0.00 0.00 177.57 178.60 1l2w h GLN 112 N 0.70 0.70 -0.43 5.19 4.20 -1.11 0.58 115.11 124.94 1l2w h GLN 112 Ca 0.16 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1l2w h GLN 112 Cb 0.32 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1l2w h GLN 112 CO 0.00 0.46 -0.01 0.78 -0.67 0.00 0.00 178.83 179.39 1l2w h GLY 113 N 0.72 0.83 0.96 3.46 0.00 -0.59 -2.22 103.07 106.24 1l2w h GLY 113 Ca 0.24 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1l2w h GLY 113 CO -0.06 0.57 0.20 0.00 0.00 0.00 0.00 176.54 177.25 1l2w h ALA 114 N 0.89 0.56 -0.91 3.60 0.00 0.14 -2.85 119.26 120.70 1l2w h ALA 114 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1l2w h ALA 114 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1l2w h ALA 114 CO 0.02 0.14 0.50 1.49 0.00 0.00 0.00 179.25 181.40 1l2w h GLU 115 N 0.56 1.26 -1.01 0.00 4.81 -0.87 -2.42 114.58 116.92 1l2w h GLU 115 Ca 0.15 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1l2w h GLU 115 Cb 0.14 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 1l2w h GLU 115 CO -0.02 0.92 0.66 0.00 -0.73 0.00 0.00 179.01 179.84 1l2w h ARG 116 N 1.27 1.22 0.00 1.92 3.08 -1.17 0.40 114.38 121.10 1l2w h ARG 116 Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1l2w h ARG 116 Cb 0.02 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.80 1l2w h ARG 116 CO -0.05 0.81 0.00 1.28 -1.07 0.00 0.00 179.97 180.94 1l2w n LEU 117 N -4.45 0.00 0.00 3.04 4.77 -0.92 -5.13 117.00 114.31 1l2w n LEU 117 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1l2w n LEU 117 Cb 0.11 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1l2w n LEU 117 CO 0.34 -0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40