#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 3.86 0.19 7.72 1.04 -1.26 -4.89 113.70 120.36 1l2w s SER 3 Ca 0.00 -1.25 -0.11 0.00 0.48 0.00 0.00 55.95 55.06 1l2w s SER 3 Cb 0.00 -0.39 0.19 0.00 0.10 0.00 0.00 66.02 65.92 1l2w s SER 3 CO 0.00 -0.33 1.79 0.15 0.98 0.00 0.00 173.24 175.83 1l2w h PHE 4 N 1.87 0.56 -0.68 5.02 3.57 -2.00 -2.25 116.94 123.03 1l2w h PHE 4 Ca -0.43 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1l2w h PHE 4 Cb 1.25 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1l2w h PHE 4 CO 0.74 0.26 0.43 0.93 -2.23 0.00 0.00 178.31 178.45 1l2w h GLU 5 N 0.58 0.83 -0.36 1.11 3.07 -1.96 -1.56 114.58 116.29 1l2w h GLU 5 Ca 0.26 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1l2w h GLU 5 Cb 0.17 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1l2w h GLU 5 CO -0.18 0.55 -0.28 1.96 -1.40 0.00 0.00 179.01 179.66 1l2w h GLN 6 N 0.85 0.76 0.06 2.33 4.20 -1.89 -1.54 115.11 119.89 1l2w h GLN 6 Ca 0.27 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1l2w h GLN 6 Cb -0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1l2w h GLN 6 CO -0.09 0.96 -0.03 0.00 -0.67 0.00 0.00 178.83 178.99 1l2w h ALA 7 N 1.03 -0.08 -0.62 3.87 0.00 -1.12 -1.41 119.26 120.92 1l2w h ALA 7 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1l2w h ALA 7 Cb 0.81 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1l2w h ALA 7 CO 0.07 -0.44 0.41 0.82 0.00 0.00 0.00 179.25 180.11 1l2w h ILE 8 N -0.30 1.15 -0.65 0.00 1.08 -1.28 -0.35 117.51 117.16 1l2w h ILE 8 Ca -0.01 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1l2w h ILE 8 Cb 0.26 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1l2w h ILE 8 CO 0.01 0.15 0.40 0.74 -0.69 0.00 0.00 178.15 178.77 1l2w h THR 9 N 0.83 1.19 -0.67 -0.27 2.02 -1.17 -0.06 112.91 114.77 1l2w h THR 9 Ca 0.23 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1l2w h THR 9 Cb -0.08 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1l2w h THR 9 CO -0.06 0.19 0.12 -0.61 0.37 0.00 0.00 175.52 175.54 1l2w h GLN 10 N 0.89 1.09 0.09 6.66 4.15 -0.86 -2.13 115.11 125.00 1l2w h GLN 10 Ca 0.24 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1l2w h GLN 10 Cb -0.04 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 1l2w h GLN 10 CO -0.05 0.99 -0.07 1.25 -1.93 0.00 0.00 178.83 179.03 1l2w h LEU 11 N 1.02 -0.18 -1.41 -2.39 5.85 -0.43 -1.46 115.31 116.31 1l2w h LEU 11 Ca 0.20 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1l2w h LEU 11 Cb 0.42 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1l2w h LEU 11 CO 0.01 -0.11 0.43 -0.26 -0.34 0.00 0.00 178.44 178.16 1l2w h PHE 12 N -0.17 0.75 -0.25 1.25 -1.00 -0.94 -0.55 116.94 116.03 1l2w h PHE 12 Ca -0.00 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.67 1l2w h PHE 12 Cb 0.15 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1l2w h PHE 12 CO -0.09 0.44 -0.36 1.96 -1.61 0.00 0.00 178.31 178.65 1l2w h GLN 13 N 0.78 0.55 0.00 1.51 4.20 -1.04 0.35 115.11 121.45 1l2w h GLN 13 Ca 0.26 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1l2w h GLN 13 Cb 0.06 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1l2w h GLN 13 CO -0.07 0.83 -0.52 1.96 -0.67 0.00 0.00 178.83 180.35 1l2w h GLN 14 N 0.46 0.00 -0.14 1.46 4.20 -0.19 -2.72 115.11 118.18 1l2w h GLN 14 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1l2w h GLN 14 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1l2w h GLN 14 CO 0.07 0.52 0.00 1.28 -0.67 0.00 0.00 178.83 180.03 1l2w n LEU 15 N -3.76 1.75 -3.38 1.46 4.77 -0.32 -4.93 117.00 112.59 1l2w n LEU 15 Ca -0.01 -0.70 -0.23 0.00 -0.03 0.00 0.00 56.01 55.04 1l2w n LEU 15 Cb 0.56 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1l2w n LEU 15 CO 0.40 0.35 0.17 -1.20 -1.33 0.00 0.00 177.39 175.78 1l2w n SER 16 N 0.37 -6.30 -4.79 -1.43 7.64 -0.48 -4.99 113.62 103.65 1l2w n SER 16 Ca 0.17 -0.45 -0.34 0.00 1.01 0.00 0.00 58.87 59.25 1l2w n SER 16 Cb 0.35 -4.98 -0.07 0.00 -1.01 0.00 0.00 64.21 58.50 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 -7.06 3.96 0.25 -3.43 1.43 0.11 -5.02 118.68 108.91 1l2w s LEU 17 Ca 0.49 0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 53.51 1l2w s LEU 17 Cb -0.22 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.73 1l2w s LEU 17 CO 0.61 0.32 1.60 -0.94 0.23 0.00 0.00 176.35 178.17 1l2w s SER 18 N -1.44 6.45 -0.18 2.29 1.04 -1.26 -4.45 113.70 116.14 1l2w s SER 18 Ca 0.20 2.84 -0.29 0.00 0.48 0.00 0.00 55.95 59.18 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 0.10 -0.89 1.00 -0.63 0.98 0.00 0.00 173.24 173.80 1l2w s ILE 19 N 0.48 4.75 0.35 -1.02 1.01 -1.26 -5.00 121.20 120.50 1l2w s ILE 19 Ca 0.67 1.97 -0.28 0.00 0.00 0.00 0.00 60.65 63.01 1l2w s ILE 19 Cb -0.47 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.60 1l2w s ILE 19 CO 0.41 -0.09 1.38 -2.65 0.00 0.00 0.00 174.94 173.99 1l2w n PRO 20 N 5.72 2.36 -0.26 2.79 -0.02 -1.26 -4.88 135.00 139.45 1l2w n PRO 20 Ca 0.10 0.83 0.03 0.00 -2.02 0.00 0.00 63.50 62.44 1l2w n PRO 20 Cb 0.47 -2.48 0.26 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.83 0.86 -3.28 2.55 1.82 -2.06 -3.39 116.42 115.76 1l2w h ASP 21 Ca -0.48 -0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 55.65 1l2w h ASP 21 Cb 1.26 -0.19 -0.36 0.00 0.68 0.00 0.00 39.33 40.72 1l2w h ASP 21 CO 0.64 0.58 -0.80 -0.89 -1.61 0.00 0.00 179.24 177.16 1l2w s THR 22 N -5.86 0.97 -0.62 2.25 2.01 -1.26 -5.10 115.64 108.04 1l2w s THR 22 Ca -0.11 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.35 1l2w s THR 22 Cb 0.19 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.79 1l2w s THR 22 CO 0.79 0.34 0.98 -0.63 -0.69 0.00 0.00 174.62 175.41 1l2w s ILE 23 N 1.35 4.30 0.82 1.82 1.01 -1.26 -5.03 121.20 124.20 1l2w s ILE 23 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1l2w s ILE 23 Cb -0.14 -4.64 0.08 0.00 0.01 0.00 0.00 42.46 37.78 1l2w s ILE 23 CO -0.04 -1.33 1.11 -1.61 0.00 0.00 0.00 174.94 173.07 1l2w s GLU 24 N 4.15 1.87 0.61 2.79 0.41 -1.26 -4.92 118.70 122.35 1l2w s GLU 24 Ca 0.27 1.30 0.37 0.00 -0.41 0.00 0.00 54.97 56.50 1l2w s GLU 24 Cb -0.14 -1.84 1.97 0.00 -1.78 0.00 0.00 34.13 32.34 1l2w s GLU 24 CO 0.15 -1.95 2.23 -1.00 -0.49 0.00 0.00 175.26 174.20 1l2w h PRO 25 N -1.34 0.00 -4.08 0.39 0.13 -1.95 -3.37 132.00 121.77 1l2w h PRO 25 Ca -0.43 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.12 1l2w h PRO 25 Cb 1.24 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1l2w h PRO 25 CO 0.48 0.02 -0.78 0.08 -0.23 0.00 0.00 178.00 177.58 1l2w s VAL 26 N -4.16 1.17 0.04 1.56 1.01 -1.26 -4.22 120.40 114.55 1l2w s VAL 26 Ca -0.04 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1l2w s VAL 26 Cb 0.13 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1l2w s VAL 26 CO 0.49 -0.11 0.31 -0.63 0.00 0.00 0.00 175.10 175.16 1l2w s ILE 27 N 1.56 5.24 -0.10 2.22 -1.09 0.33 -4.92 121.20 124.45 1l2w s ILE 27 Ca -0.04 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1l2w s ILE 27 Cb -0.18 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1l2w s ILE 27 CO -0.07 0.31 -0.18 -0.83 -1.23 0.00 0.00 174.94 172.94 1l2w s GLY 28 N -1.79 1.10 0.01 6.18 0.00 -1.26 -0.24 107.32 111.33 1l2w s GLY 28 Ca 0.30 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.32 1l2w s GLY 28 CO 0.18 -0.03 -0.16 0.14 0.00 0.00 0.00 173.10 173.22 1l2w s VAL 29 N 0.63 1.28 -0.28 1.40 1.01 0.36 -4.98 120.40 119.82 1l2w s VAL 29 Ca -0.14 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1l2w s VAL 29 Cb -0.16 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1l2w s VAL 29 CO 0.04 0.22 0.04 -0.75 0.00 0.00 0.00 175.10 174.65 1l2w s LYS 30 N -0.74 2.99 -0.30 2.72 2.47 -1.26 0.67 119.74 126.29 1l2w s LYS 30 Ca 0.05 -0.91 -0.01 0.00 -1.56 0.00 0.00 55.97 53.54 1l2w s LYS 30 Cb -0.07 -3.27 0.06 0.00 -1.46 0.00 0.00 37.83 33.09 1l2w s LYS 30 CO 0.00 -0.44 -0.01 0.08 0.16 0.00 0.00 175.35 175.14 1l2w s VAL 31 N 1.44 2.80 0.00 4.02 1.01 -0.21 -4.99 120.40 124.47 1l2w s VAL 31 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1l2w s VAL 31 Cb -0.17 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1l2w s VAL 31 CO 0.01 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1l2w n GLY 32 N 4.56 3.76 0.33 4.51 0.00 -1.26 -1.40 105.19 115.70 1l2w n GLY 32 Ca -0.12 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 13.71 0.96 -3.74 1.61 0.28 -1.26 -4.89 120.64 127.32 1l2w n GLU 33 Ca 0.00 -0.66 -0.36 0.00 -0.16 0.00 0.00 57.16 55.98 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 -2.49 3.25 -0.35 -1.84 0.40 -0.49 -5.05 117.98 111.41 1l2w s PHE 34 Ca 0.23 0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.42 1l2w s PHE 34 Cb 0.19 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.48 1l2w s PHE 34 CO 0.54 -0.01 0.64 0.00 0.70 0.00 0.00 175.22 177.08 1l2w s ALA 35 N 1.09 3.47 0.10 5.36 0.00 -1.26 -1.05 121.76 129.47 1l2w s ALA 35 Ca 0.06 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1l2w s ALA 35 Cb -0.14 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1l2w s ALA 35 CO 0.04 -1.30 0.08 0.00 0.00 0.00 0.00 175.76 174.59 1l2w s HIS 37 N -1.47 1.70 -0.03 0.00 3.76 -0.14 -0.48 115.29 118.62 1l2w s HIS 37 Ca 0.29 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1l2w s HIS 37 Cb -0.12 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 1l2w s HIS 37 CO 0.22 -0.14 -0.24 0.42 -0.85 0.00 0.00 174.74 174.15 1l2w s ILE 38 N -0.06 1.92 0.19 0.60 1.01 0.67 -1.07 121.20 124.47 1l2w s ILE 38 Ca -0.02 -1.03 -0.23 0.00 0.00 0.00 0.00 60.65 59.37 1l2w s ILE 38 Cb -0.11 -1.60 0.05 0.00 0.01 0.00 0.00 42.46 40.81 1l2w s ILE 38 CO 0.02 0.54 0.81 0.28 0.00 0.00 0.00 174.94 176.58 1l2w s THR 39 N -0.46 0.00 -0.47 2.92 -1.32 -0.31 -0.51 115.64 115.48 1l2w s THR 39 Ca 0.06 -0.66 -0.14 0.00 -1.21 0.00 0.00 61.69 59.74 1l2w s THR 39 Cb -0.10 -1.78 0.09 0.00 -1.51 0.00 0.00 72.50 69.20 1l2w s THR 39 CO 0.00 0.00 0.39 -0.70 -2.21 0.00 0.00 174.62 172.10 1l2w s GLU 40 N -3.60 2.88 -0.28 7.08 2.12 -1.26 -0.37 118.70 125.27 1l2w s GLU 40 Ca 0.10 -1.46 -0.07 0.00 0.36 0.00 0.00 54.97 53.90 1l2w s GLU 40 Cb -0.03 -4.08 0.14 0.00 0.26 0.00 0.00 34.13 30.42 1l2w s GLU 40 CO 0.01 -1.08 0.59 -1.58 -0.54 0.00 0.00 175.26 172.66 1l2w s HIS 41 N 1.58 -1.33 0.00 5.30 2.46 -0.77 -4.51 115.29 118.02 1l2w s HIS 41 Ca 0.04 1.97 0.00 0.00 0.47 0.00 0.00 55.06 57.54 1l2w s HIS 41 Cb -0.25 0.63 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 1l2w s HIS 41 CO 0.05 -0.71 0.00 -0.35 -2.47 0.00 0.00 174.74 171.25 1l2w n PRO 42 N 5.43 -0.41 -1.89 2.88 -0.04 -1.26 -4.55 135.00 135.15 1l2w n PRO 42 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 1l2w n PRO 42 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.88 2.49 0.00 0.52 1.01 -1.26 -2.01 120.40 120.27 1l2w s VAL 43 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1l2w s VAL 43 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1l2w s VAL 43 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1l2w n GLY 44 N 3.78 0.76 2.98 4.51 0.00 -1.26 -5.05 105.19 110.91 1l2w n GLY 44 Ca 0.14 0.00 -0.22 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 -0.55 1.28 -0.35 1.61 -1.52 -0.85 -0.80 119.66 118.49 1l2w s GLN 45 Ca 0.00 -0.30 -0.16 0.00 -1.95 0.00 0.00 55.36 52.95 1l2w s GLN 45 Cb 0.00 -1.13 -0.01 0.00 -0.22 0.00 0.00 33.01 31.65 1l2w s GLN 45 CO 0.00 0.01 0.43 0.42 -0.25 0.00 0.00 175.29 175.90 1l2w s ILE 46 N 0.65 5.10 -0.12 1.08 -1.09 0.68 -1.84 121.20 125.66 1l2w s ILE 46 Ca -0.12 0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 1l2w s ILE 46 Cb -0.14 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1l2w s ILE 46 CO 0.02 -0.16 0.02 -0.22 -1.23 0.00 0.00 174.94 173.37 1l2w s LEU 47 N 2.17 3.63 -0.01 2.97 2.96 0.50 -2.16 118.68 128.74 1l2w s LEU 47 Ca 0.14 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1l2w s LEU 47 Cb -0.16 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1l2w s LEU 47 CO 0.12 0.30 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.25 1l2w s MET 48 N -0.39 1.26 0.12 1.98 -1.94 -0.71 -1.16 119.30 118.47 1l2w s MET 48 Ca 0.08 -0.58 -0.17 0.00 -1.71 0.00 0.00 55.69 53.30 1l2w s MET 48 Cb -0.12 -1.23 0.04 0.00 2.01 0.00 0.00 34.83 35.53 1l2w s MET 48 CO 0.02 0.33 0.44 -0.59 -0.01 0.00 0.00 175.02 175.21 1l2w s PHE 49 N -0.41 -0.27 0.15 -0.03 -0.12 -0.23 -1.71 117.98 115.36 1l2w s PHE 49 Ca 0.06 -0.01 -0.15 0.00 -0.05 0.00 0.00 56.93 56.78 1l2w s PHE 49 Cb -0.06 0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.66 1l2w s PHE 49 CO -0.00 -0.72 0.40 -0.08 -0.05 0.00 0.00 175.22 174.76 1l2w s THR 50 N -3.70 0.06 -0.47 -4.49 -1.32 -0.17 -0.97 115.64 104.60 1l2w s THR 50 Ca 0.02 -0.82 -0.10 0.00 -1.21 0.00 0.00 61.69 59.58 1l2w s THR 50 Cb 0.01 -1.40 0.11 0.00 -1.51 0.00 0.00 72.50 69.71 1l2w s THR 50 CO -0.11 -0.29 0.34 -0.76 -2.21 0.00 0.00 174.62 171.59 1l2w s LEU 51 N -2.85 5.61 0.90 9.08 1.02 -1.26 -1.18 118.68 129.99 1l2w s LEU 51 Ca 0.07 -1.76 -0.13 0.00 0.02 0.00 0.00 54.13 52.33 1l2w s LEU 51 Cb 0.02 -2.04 0.17 0.00 0.02 0.00 0.00 46.19 44.36 1l2w s LEU 51 CO -0.07 -0.67 1.25 -2.16 0.02 0.00 0.00 176.35 174.72 1l2w s PRO 52 N 1.42 0.99 -0.32 1.29 0.04 -1.26 -4.96 135.00 132.21 1l2w s PRO 52 Ca 0.05 -0.44 -0.05 0.00 0.04 0.00 0.00 61.00 60.59 1l2w s PRO 52 Cb -0.26 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1l2w s PRO 52 CO 0.01 -2.15 0.07 -1.12 0.04 0.00 0.00 177.00 173.85 1l2w s SER 53 N -4.82 5.12 0.51 6.66 0.01 -1.26 -4.77 113.70 115.15 1l2w s SER 53 Ca 0.71 -1.07 -0.08 0.00 1.31 0.00 0.00 55.95 56.82 1l2w s SER 53 Cb -0.05 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 1l2w s SER 53 CO 0.51 -0.27 0.86 -0.76 0.41 0.00 0.00 173.24 173.99 1l2w s LEU 54 N 1.38 3.54 -0.19 2.44 1.43 -1.26 -4.71 118.68 121.31 1l2w s LEU 54 Ca -0.02 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.11 1l2w s LEU 54 Cb -0.19 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 1l2w s LEU 54 CO 0.01 -0.64 0.10 -0.62 0.23 0.00 0.00 176.35 175.43 1l2w s ASP 55 N -3.98 5.95 0.14 2.29 -1.08 -1.26 -5.01 116.67 113.72 1l2w s ASP 55 Ca 0.50 0.17 -0.17 0.00 -0.52 0.00 0.00 52.55 52.53 1l2w s ASP 55 Cb -0.10 -2.03 0.01 0.00 -1.46 0.00 0.00 42.92 39.34 1l2w s ASP 55 CO 0.45 0.18 1.77 0.78 0.52 0.00 0.00 175.17 178.87 1l2w h ASN 56 N 6.63 0.20 -1.11 -0.34 2.35 -2.01 -2.35 115.58 118.95 1l2w h ASN 56 Ca -0.39 0.02 0.32 0.00 -0.55 0.00 0.00 56.30 55.69 1l2w h ASN 56 Cb 1.16 -0.02 -0.11 0.00 0.05 0.00 0.00 38.32 39.41 1l2w h ASN 56 CO 0.73 0.15 0.71 0.78 -1.65 0.00 0.00 177.43 178.15 1l2w h ASN 57 N 0.30 0.40 -2.56 5.81 -0.26 -2.06 -3.39 115.58 113.82 1l2w h ASN 57 Ca 0.13 0.11 -0.53 0.00 -0.56 0.00 0.00 56.30 55.45 1l2w h ASN 57 Cb 0.06 0.05 0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1l2w h ASN 57 CO -0.10 -0.01 1.10 -1.81 -1.06 0.00 0.00 177.43 175.55 1l2w s ASP 58 N -5.02 6.55 0.75 5.81 1.01 -0.89 -4.99 116.67 119.89 1l2w s ASP 58 Ca -0.09 2.52 -0.05 0.00 0.71 0.00 0.00 52.55 55.64 1l2w s ASP 58 Cb 0.27 -2.55 0.12 0.00 1.01 0.00 0.00 42.92 41.77 1l2w s ASP 58 CO 0.80 -0.96 1.05 -1.61 0.21 0.00 0.00 175.17 174.67 1l2w s GLU 59 N 3.45 1.63 0.24 8.23 2.02 -1.26 -4.83 118.70 128.18 1l2w s GLU 59 Ca 0.79 -0.76 -0.05 0.00 0.02 0.00 0.00 54.97 54.97 1l2w s GLU 59 Cb -0.40 -2.21 0.39 0.00 0.10 0.00 0.00 34.13 32.01 1l2w s GLU 59 CO 0.35 -1.55 1.80 1.57 0.02 0.00 0.00 175.26 177.45 1l2w h LYS 60 N -0.73 0.73 -0.36 1.61 2.10 -1.96 -0.94 116.57 117.02 1l2w h LYS 60 Ca -0.40 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1l2w h LYS 60 Cb 1.27 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 1l2w h LYS 60 CO 0.45 0.48 0.22 0.93 -2.00 0.00 0.00 179.45 179.53 1l2w h GLU 61 N 0.75 0.49 -0.49 0.07 3.07 -1.98 0.35 114.58 116.84 1l2w h GLU 61 Ca 0.39 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.13 1l2w h GLU 61 Cb 0.37 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1l2w h GLU 61 CO -0.25 0.36 0.01 1.15 -1.40 0.00 0.00 179.01 178.88 1l2w h THR 62 N 0.47 1.24 -0.24 1.13 2.02 -1.79 -1.34 112.91 114.40 1l2w h THR 62 Ca 0.13 -1.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.13 1l2w h THR 62 Cb 0.00 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1l2w h THR 62 CO -0.02 0.36 -0.54 -0.07 0.37 0.00 0.00 175.52 175.61 1l2w h LEU 63 N 0.76 0.90 -1.30 2.58 3.38 -0.90 -3.11 115.31 117.62 1l2w h LEU 63 Ca 0.15 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1l2w h LEU 63 Cb 0.45 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1l2w h LEU 63 CO 0.02 1.29 -0.06 -0.07 0.09 0.00 0.00 178.44 179.71 1l2w h LEU 64 N 0.55 0.00 -1.84 1.67 3.38 -0.77 -3.00 115.31 115.30 1l2w h LEU 64 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1l2w h LEU 64 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1l2w h LEU 64 CO 0.12 0.06 -0.14 0.28 0.09 0.00 0.00 178.44 178.85 1l2w h SER 65 N 0.00 0.00 0.74 -0.43 0.02 -1.17 -2.16 113.55 110.56 1l2w h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1l2w h SER 65 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1l2w h SER 65 CO 0.01 0.14 0.00 0.45 -1.14 0.00 0.00 176.83 176.29 1l2w h HIS 66 N 0.00 0.00 -0.02 3.45 3.86 -1.65 -3.10 115.15 117.70 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 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1l2w h HIS 66 CO 0.00 0.00 -0.01 0.09 0.86 0.00 0.00 177.93 178.87 1l2w n ASN 67 N -2.99 1.78 -4.77 2.45 5.03 -0.81 -4.81 115.26 111.15 1l2w n ASN 67 Ca -0.00 -1.58 -0.39 0.00 0.87 0.00 0.00 54.58 53.47 1l2w n ASN 67 Cb 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 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 -2.01 2.52 0.73 2.41 1.10 -1.17 -4.97 121.20 119.80 1l2w s ILE 68 Ca 0.36 0.46 -0.12 0.00 -0.51 0.00 0.00 60.65 60.83 1l2w s ILE 68 Cb 0.21 -3.27 0.03 0.00 0.15 0.00 0.00 42.46 39.59 1l2w s ILE 68 CO 0.33 0.06 1.10 0.72 -2.11 0.00 0.00 174.94 175.04 1l2w s PHE 69 N -1.27 2.61 0.00 3.50 -0.12 -1.26 -5.07 117.98 116.38 1l2w s PHE 69 Ca 0.59 1.55 0.00 0.00 -0.05 0.00 0.00 56.93 59.02 1l2w s PHE 69 Cb -0.39 -3.09 0.00 0.00 -0.63 0.00 0.00 43.02 38.92 1l2w s PHE 69 CO 0.49 -1.74 0.00 -1.13 -0.05 0.00 0.00 175.22 172.80 1l2w n SER 70 N -3.11 0.09 -0.15 1.98 3.41 -1.26 -5.03 113.62 109.56 1l2w n SER 70 Ca 0.09 -0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1l2w n SER 70 Cb 0.53 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 0.55 -3.53 4.33 0.00 -1.26 -4.72 117.38 112.75 1l2w n GLN 71 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 57.00 56.29 1l2w n GLN 71 Cb 0.00 -1.49 -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 -2.65 5.84 0.00 2.61 -1.08 -1.26 -4.96 116.67 115.17 1l2w s ASP 72 Ca 0.21 -1.31 0.11 0.00 -0.52 0.00 0.00 52.55 51.04 1l2w s ASP 72 Cb 0.19 -2.06 0.54 0.00 -1.46 0.00 0.00 42.92 40.12 1l2w s ASP 72 CO 0.56 -0.53 1.30 2.30 0.52 0.00 0.00 175.17 179.32 1l2w n ILE 73 N 5.04 0.92 1.26 4.11 -5.35 -1.26 -1.90 119.36 122.17 1l2w n ILE 73 Ca -0.11 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.73 1l2w n ILE 73 Cb 0.44 -1.04 0.35 0.00 -1.74 0.00 0.00 39.64 37.65 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 -1.37 2.11 -4.71 7.28 4.77 -1.26 -4.75 117.00 119.07 1l2w n LEU 74 Ca 0.04 -0.73 -0.43 0.00 -0.03 0.00 0.00 56.01 54.87 1l2w n LEU 74 Cb 0.11 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1l2w n LEU 74 CO 0.09 0.36 1.36 1.17 -1.33 0.00 0.00 177.39 179.05 1l2w n LYS 75 N 0.65 2.68 -1.42 3.23 4.81 -0.80 -4.67 118.16 122.65 1l2w n LYS 75 Ca 0.17 0.97 -0.32 0.00 -0.87 0.00 0.00 58.31 58.26 1l2w n LYS 75 Cb 0.45 -2.81 0.08 0.00 0.02 0.00 0.00 35.03 32.76 1l2w n LYS 75 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1l2w s PRO 76 N 1.38 2.45 -0.15 1.64 0.04 -1.26 -4.84 135.00 134.26 1l2w s PRO 76 Ca 0.77 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1l2w s PRO 76 Cb -0.53 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1l2w s PRO 76 CO 0.34 -1.50 -0.07 0.42 0.04 0.00 0.00 177.00 176.22 1l2w s ILE 77 N -2.76 3.55 -0.12 0.56 -1.09 0.23 -4.77 121.20 116.82 1l2w s ILE 77 Ca 0.63 -0.48 -0.20 0.00 -2.23 0.00 0.00 60.65 58.37 1l2w s ILE 77 Cb -0.18 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1l2w s ILE 77 CO 0.52 0.50 0.54 -0.22 -1.23 0.00 0.00 174.94 175.05 1l2w s LEU 78 N 0.39 4.27 0.00 2.97 2.96 -1.26 -1.45 118.68 126.55 1l2w s LEU 78 Ca -0.07 0.89 0.05 0.00 -0.22 0.00 0.00 54.13 54.79 1l2w s LEU 78 Cb -0.15 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 1l2w s LEU 78 CO 0.04 -0.06 0.20 -1.54 -1.32 0.00 0.00 176.35 173.67 1l2w n SER 79 N 3.87 -0.41 -3.90 3.68 3.41 0.80 -4.96 113.62 116.11 1l2w n SER 79 Ca -0.05 -2.57 -0.15 0.00 -0.26 0.00 0.00 58.87 55.84 1l2w n SER 79 Cb 0.51 1.17 -0.15 0.00 -0.26 0.00 0.00 64.21 65.49 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 -2.95 0.29 -0.76 7.33 -0.11 -1.26 -0.12 118.94 121.36 1l2w s TRP 80 Ca 0.28 -0.04 -0.15 0.00 1.22 0.00 0.00 56.10 57.41 1l2w s TRP 80 Cb 0.01 -0.23 0.20 0.00 -1.50 0.00 0.00 33.47 31.95 1l2w s TRP 80 CO 0.20 -0.03 0.71 0.34 -4.62 0.00 0.00 176.95 173.54 1l2w s ASP 81 N 0.16 6.62 0.19 5.86 2.15 0.21 -4.86 116.67 126.99 1l2w s ASP 81 Ca -0.01 -2.45 -0.14 0.00 0.43 0.00 0.00 52.55 50.38 1l2w s ASP 81 Cb -0.04 -2.21 0.19 0.00 -0.30 0.00 0.00 42.92 40.55 1l2w s ASP 81 CO -0.00 -0.65 1.69 -0.08 -0.17 0.00 0.00 175.17 175.95 1l2w h GLU 82 N 8.08 0.13 -0.44 4.34 4.81 -1.96 0.56 114.58 130.10 1l2w h GLU 82 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1l2w h GLU 82 Cb 1.06 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1l2w h GLU 82 CO 0.83 0.09 0.21 0.28 -0.73 0.00 0.00 179.01 179.69 1l2w h VAL 83 N 0.14 0.96 0.00 0.32 2.07 -1.96 -2.75 116.25 115.02 1l2w h VAL 83 Ca 0.25 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1l2w h VAL 83 Cb 0.37 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1l2w h VAL 83 CO -0.40 0.08 -0.51 0.61 0.02 0.00 0.00 177.57 177.37 1l2w n GLY 84 N -1.23 -1.32 2.61 2.17 0.00 -0.99 -4.97 105.19 101.47 1l2w n GLY 84 Ca 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 1.45 0.01 3.04 -0.02 0.00 0.19 -5.04 105.19 104.82 1l2w n GLY 85 Ca 0.05 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.04 0.72 0.42 1.61 3.76 -1.03 -4.97 115.29 112.76 1l2w s HIS 86 Ca 0.26 -0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 54.64 1l2w s HIS 86 Cb -0.11 -0.44 -0.10 0.00 1.11 0.00 0.00 32.58 33.04 1l2w s HIS 86 CO 0.32 -0.03 0.98 -1.25 -0.85 0.00 0.00 174.74 173.91 1l2w s PRO 87 N -0.90 4.19 -0.08 8.40 0.04 -1.26 0.65 135.00 146.03 1l2w s PRO 87 Ca -0.03 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 1l2w s PRO 87 Cb -0.06 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1l2w s PRO 87 CO 0.00 -0.07 -0.04 0.08 0.04 0.00 0.00 177.00 177.01 1l2w s VAL 88 N -2.01 0.67 -0.21 -0.36 1.01 0.82 -4.24 120.40 116.08 1l2w s VAL 88 Ca 0.61 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 1l2w s VAL 88 Cb -0.13 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1l2w s VAL 88 CO 0.17 0.29 0.07 -0.22 0.00 0.00 0.00 175.10 175.42 1l2w s LEU 89 N 1.59 3.69 0.08 3.92 2.96 -0.33 -0.14 118.68 130.45 1l2w s LEU 89 Ca 0.00 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 1l2w s LEU 89 Cb -0.13 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1l2w s LEU 89 CO -0.05 0.08 0.25 -1.66 -1.32 0.00 0.00 176.35 173.65 1l2w s TRP 90 N 0.92 0.03 0.14 5.38 1.48 -0.53 -0.99 118.94 125.36 1l2w s TRP 90 Ca 0.04 -0.34 -0.01 0.00 -1.06 0.00 0.00 56.10 54.73 1l2w s TRP 90 Cb -0.14 0.03 -0.04 0.00 -1.16 0.00 0.00 33.47 32.16 1l2w s TRP 90 CO 0.03 -0.54 0.05 0.54 -4.06 0.00 0.00 176.95 172.97 1l2w s ASN 91 N -2.55 0.41 -0.03 -2.66 2.20 -0.70 0.75 114.94 112.37 1l2w s ASN 91 Ca 0.01 -1.21 -0.25 0.00 -0.94 0.00 0.00 52.86 50.47 1l2w s ASN 91 Cb 0.02 0.28 0.05 0.00 -2.00 0.00 0.00 41.25 39.60 1l2w s ASN 91 CO -0.08 -0.71 0.55 -0.60 -2.94 0.00 0.00 177.10 173.31 1l2w s ARG 92 N -4.04 0.94 0.07 3.55 3.52 -1.26 -1.73 118.95 120.00 1l2w s ARG 92 Ca 0.25 0.06 -0.17 0.00 -0.13 0.00 0.00 55.73 55.73 1l2w s ARG 92 Cb 0.07 0.44 0.04 0.00 -1.56 0.00 0.00 34.95 33.93 1l2w s ARG 92 CO 0.02 -0.29 0.41 1.14 -0.81 0.00 0.00 175.30 175.77 1l2w s GLN 93 N -1.39 0.96 0.20 5.12 -2.07 -0.92 -4.84 119.66 116.72 1l2w s GLN 93 Ca -0.11 -0.47 -0.30 0.00 -1.82 0.00 0.00 55.36 52.65 1l2w s GLN 93 Cb -0.02 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 32.24 1l2w s GLN 93 CO 0.07 -0.34 1.38 -2.14 -1.32 0.00 0.00 175.29 172.93 1l2w s PRO 94 N -2.88 4.33 0.31 9.60 0.02 -1.26 -0.23 135.00 144.88 1l2w s PRO 94 Ca -0.03 2.16 0.07 0.00 0.02 0.00 0.00 61.00 63.23 1l2w s PRO 94 Cb 0.00 -3.17 0.50 0.00 0.02 0.00 0.00 34.50 31.85 1l2w s PRO 94 CO -0.05 -0.36 1.72 1.25 -0.33 0.00 0.00 177.00 179.23 1l2w h LEU 95 N 5.53 0.22 0.00 -5.54 5.85 -1.30 -3.11 115.31 116.96 1l2w h LEU 95 Ca -0.45 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1l2w h LEU 95 Cb 1.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1l2w h LEU 95 CO 0.79 0.60 0.00 -0.46 -0.34 0.00 0.00 178.44 179.03 1l2w n ASN 96 N -4.04 0.00 -0.05 1.25 0.23 -1.26 -2.92 115.26 108.46 1l2w n ASN 96 Ca -0.01 -0.06 0.05 0.00 -0.53 0.00 0.00 54.58 54.02 1l2w n ASN 96 Cb 0.46 -0.26 0.07 0.00 -2.08 0.00 0.00 39.78 37.97 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 -1.26 2.02 -4.77 0.53 3.41 -1.18 -4.99 113.62 107.39 1l2w n SER 97 Ca 0.10 -2.48 -0.37 0.00 -0.26 0.00 0.00 58.87 55.86 1l2w n SER 97 Cb 0.15 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.82 4.08 0.00 1.04 1.43 -1.15 -5.05 118.68 117.21 1l2w s LEU 98 Ca 0.15 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1l2w s LEU 98 Cb 0.13 -4.18 -0.00 0.00 0.03 0.00 0.00 46.19 42.17 1l2w s LEU 98 CO 0.01 -0.77 0.01 -0.90 0.23 0.00 0.00 176.35 174.93 1l2w n ASP 99 N -0.28 2.31 0.03 2.29 5.68 -1.26 -4.91 116.55 120.41 1l2w n ASP 99 Ca 0.06 -1.73 0.12 0.00 -0.50 0.00 0.00 54.79 52.74 1l2w n ASP 99 Cb 0.48 0.14 0.57 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.42 0.21 -0.29 -1.12 4.21 -2.03 -3.01 115.58 113.96 1l2w h ASN 100 Ca -0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1l2w h ASN 100 Cb 0.42 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1l2w h ASN 100 CO 0.22 0.13 0.00 0.59 -1.29 0.00 0.00 177.43 177.09 1l2w n ASN 101 N -4.47 3.01 0.23 5.81 5.03 -1.26 -4.71 115.26 118.90 1l2w n ASN 101 Ca 0.06 -1.88 -0.15 0.00 0.87 0.00 0.00 54.58 53.48 1l2w n ASN 101 Cb 0.31 -0.19 -0.08 0.00 -1.02 0.00 0.00 39.78 38.81 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 3.45 -0.53 -0.06 6.41 0.02 -1.92 -2.38 113.55 118.55 1l2w h SER 102 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1l2w h SER 102 Cb 0.82 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1l2w h SER 102 CO 0.00 -0.35 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.11 1l2w h LEU 103 N -0.57 0.40 -0.27 5.07 3.38 -1.84 -1.03 115.31 120.46 1l2w h LEU 103 Ca -0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1l2w h LEU 103 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1l2w h LEU 103 CO 0.06 0.59 0.05 0.22 0.09 0.00 0.00 178.44 179.45 1l2w h TYR 104 N 0.38 0.47 -0.61 1.13 5.03 -1.86 -1.53 116.97 119.99 1l2w h TYR 104 Ca 0.07 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1l2w h TYR 104 Cb 0.51 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 1l2w h TYR 104 CO 0.01 0.54 0.30 1.15 -1.32 0.00 0.00 178.16 178.84 1l2w h THR 105 N 0.26 1.21 -0.74 1.81 2.02 -1.19 -1.14 112.91 115.13 1l2w h THR 105 Ca 0.08 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1l2w h THR 105 Cb 0.33 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1l2w h THR 105 CO 0.00 0.24 0.42 -0.61 0.37 0.00 0.00 175.52 175.94 1l2w h GLN 106 N 0.83 1.02 -0.20 6.66 4.15 -1.04 0.02 115.11 126.55 1l2w h GLN 106 Ca 0.21 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.37 1l2w h GLN 106 Cb 0.11 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1l2w h GLN 106 CO -0.03 0.74 -0.47 1.25 -1.93 0.00 0.00 178.83 178.39 1l2w h LEU 107 N 1.03 0.76 -0.56 -2.39 5.85 -0.95 -1.78 115.31 117.26 1l2w h LEU 107 Ca 0.26 -0.57 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1l2w h LEU 107 Cb 0.01 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1l2w h LEU 107 CO -0.04 1.19 0.35 -0.08 -0.34 0.00 0.00 178.44 179.51 1l2w h GLU 108 N 0.36 0.67 -0.49 1.25 4.81 -0.82 -1.34 114.58 119.02 1l2w h GLU 108 Ca -0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1l2w h GLU 108 Cb 1.09 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1l2w h GLU 108 CO 0.10 0.44 0.04 0.52 -0.73 0.00 0.00 179.01 179.39 1l2w h MET 109 N 0.69 0.79 -0.05 1.92 2.86 -0.94 -1.11 114.93 119.09 1l2w h MET 109 Ca 0.22 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1l2w h MET 109 Cb 0.00 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1l2w h MET 109 CO -0.09 0.77 0.01 1.25 1.06 0.00 0.00 176.91 179.90 1l2w h LEU 110 N 0.74 0.08 -0.61 1.22 5.85 -0.76 -1.81 115.31 120.02 1l2w h LEU 110 Ca 0.15 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1l2w h LEU 110 Cb 0.39 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1l2w h LEU 110 CO 0.01 0.32 0.07 -0.37 -0.34 0.00 0.00 178.44 178.14 1l2w h VAL 111 N -0.18 1.26 -0.18 1.05 -1.51 -1.17 -1.18 116.25 114.35 1l2w h VAL 111 Ca 0.01 -1.05 -0.02 0.00 -1.23 0.00 0.00 66.70 64.41 1l2w h VAL 111 Cb 0.28 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1l2w h VAL 111 CO 0.00 0.39 -0.00 1.56 -1.23 0.00 0.00 177.57 178.29 1l2w h GLN 112 N 0.94 0.26 -0.34 5.19 4.20 -1.18 0.27 115.11 124.44 1l2w h GLN 112 Ca 0.18 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 1l2w h GLN 112 Cb 0.47 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1l2w h GLN 112 CO 0.02 0.29 -0.32 0.78 -0.67 0.00 0.00 178.83 178.92 1l2w h GLY 113 N 0.53 0.90 0.92 3.46 0.00 -0.67 -2.32 103.07 105.88 1l2w h GLY 113 Ca 0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 1l2w h GLY 113 CO 0.00 0.82 0.12 0.00 0.00 0.00 0.00 176.54 177.48 1l2w h ALA 114 N 0.75 0.37 -0.90 3.60 0.00 -0.13 -2.89 119.26 120.06 1l2w h ALA 114 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1l2w h ALA 114 Cb 0.90 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1l2w h ALA 114 CO 0.08 -0.04 0.58 0.93 0.00 0.00 0.00 179.25 180.80 1l2w h GLU 115 N 0.31 1.20 -0.76 0.00 5.08 -0.97 -2.30 114.58 117.14 1l2w h GLU 115 Ca 0.10 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1l2w h GLU 115 Cb 0.17 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1l2w h GLU 115 CO -0.01 0.81 0.50 0.00 -1.00 0.00 0.00 179.01 179.31 1l2w h ARG 116 N 1.23 0.99 -1.50 2.33 3.08 -1.22 -2.54 114.38 116.75 1l2w h ARG 116 Ca 0.33 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1l2w h ARG 116 Cb -0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.72 1l2w h ARG 116 CO -0.07 0.65 0.00 1.28 -1.07 0.00 0.00 179.97 180.77 1l2w n LEU 117 N -4.42 1.05 0.00 3.04 4.77 -0.86 -5.12 117.00 115.45 1l2w n LEU 117 Ca 0.08 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1l2w n LEU 117 Cb 0.04 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1l2w n LEU 117 CO 0.36 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.60