#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcv s LEU 2 N 0.00 1.17 0.51 4.03 1.43 -1.26 -5.12 118.68 119.43 2wcv s LEU 2 Ca 0.00 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 2wcv s LEU 2 Cb 0.00 0.90 -0.06 0.00 0.03 0.00 0.00 46.19 47.06 2wcv s LEU 2 CO 0.00 -0.28 1.24 -0.54 0.23 0.00 0.00 176.35 176.99 2wcv s LYS 3 N -0.80 3.44 0.00 1.70 1.02 -1.26 -2.91 119.74 120.93 2wcv s LYS 3 Ca -0.09 1.94 0.00 0.00 0.02 0.00 0.00 55.97 57.85 2wcv s LYS 3 Cb -0.05 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2wcv s LYS 3 CO 0.02 -0.86 0.00 0.25 -0.92 0.00 0.00 175.35 173.83 2wcv n THR 4 N -0.83 0.00 -4.50 2.17 -2.24 -1.26 -4.96 114.28 102.66 2wcv n THR 4 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 2wcv n THR 4 Cb 0.47 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 2wcv n THR 4 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wcv s ILE 5 N -1.77 3.84 0.11 2.28 1.01 -1.15 -5.06 121.20 120.46 2wcv s ILE 5 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 60.65 59.91 2wcv s ILE 5 Cb 0.00 -2.63 -0.13 0.00 0.01 0.00 0.00 42.46 39.71 2wcv s ILE 5 CO 0.00 0.55 1.68 -0.24 0.00 0.00 0.00 174.94 176.93 2wcv n SER 6 N 2.82 3.32 0.00 3.58 2.88 -1.26 -4.54 113.62 120.41 2wcv n SER 6 Ca -0.18 1.05 0.06 0.00 -1.33 0.00 0.00 58.87 58.47 2wcv n SER 6 Cb 0.53 -1.43 0.29 0.00 -0.75 0.00 0.00 64.21 62.84 2wcv n SER 6 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wcv n PRO 7 N 4.38 0.08 0.26 -1.46 -0.04 -1.26 -2.37 135.00 134.58 2wcv n PRO 7 Ca 0.18 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 64.02 2wcv n PRO 7 Cb 0.30 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.82 2wcv n PRO 7 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wcv h LEU 8 N 0.00 0.00 -8.99 1.53 4.07 -1.97 -3.42 115.31 106.53 2wcv h LEU 8 Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 2wcv h LEU 8 Cb 0.17 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.82 2wcv h LEU 8 CO 0.00 0.06 0.45 -0.63 -1.08 0.00 0.00 178.44 177.24 2wcv s ILE 9 N -3.60 4.81 0.69 1.22 1.01 -1.00 -5.03 121.20 119.30 2wcv s ILE 9 Ca 0.02 1.42 -0.14 0.00 0.00 0.00 0.00 60.65 61.95 2wcv s ILE 9 Cb 0.09 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2wcv s ILE 9 CO 0.58 -0.15 1.11 -0.94 0.00 0.00 0.00 174.94 175.54 2wcv s SER 10 N 1.46 4.96 0.30 3.58 1.04 -1.26 -4.78 113.70 118.99 2wcv s SER 10 Ca 0.34 1.97 0.03 0.00 0.48 0.00 0.00 55.95 58.76 2wcv s SER 10 Cb -0.15 -2.54 0.60 0.00 0.10 0.00 0.00 66.02 64.03 2wcv s SER 10 CO 0.10 -1.73 1.84 -0.65 0.98 0.00 0.00 173.24 173.77 2wcv h PRO 11 N -0.24 0.92 -0.52 4.02 0.11 -1.96 0.97 132.00 135.31 2wcv h PRO 11 Ca -0.46 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 2wcv h PRO 11 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2wcv h PRO 11 CO 0.53 0.61 -0.15 1.49 -0.21 0.00 0.00 178.00 180.27 2wcv h GLU 12 N 0.94 1.02 -0.48 1.05 4.57 -1.99 -1.16 114.58 118.53 2wcv h GLU 12 Ca 0.49 -0.40 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 2wcv h GLU 12 Cb 0.53 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2wcv h GLU 12 CO -0.26 1.08 -0.19 1.25 -1.18 0.00 0.00 179.01 179.72 2wcv h LEU 13 N 0.89 0.97 -0.66 1.64 5.85 -1.64 -0.84 115.31 121.53 2wcv h LEU 13 Ca 0.13 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.53 2wcv h LEU 13 Cb 0.73 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2wcv h LEU 13 CO 0.06 1.12 0.40 0.25 -0.34 0.00 0.00 178.44 179.93 2wcv h LEU 14 N 0.83 0.65 -0.22 2.25 5.85 -0.60 0.83 115.31 124.89 2wcv h LEU 14 Ca 0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2wcv h LEU 14 Cb 0.74 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2wcv h LEU 14 CO 0.06 0.44 0.10 0.50 -0.34 0.00 0.00 178.44 179.20 2wcv h LYS 15 N 0.78 0.33 -0.24 1.25 3.64 -0.90 -1.67 116.57 119.76 2wcv h LYS 15 Ca 0.27 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2wcv h LYS 15 Cb 0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2wcv h LYS 15 CO -0.12 0.36 0.14 0.28 -2.27 0.00 0.00 179.45 177.84 2wcv h VAL 16 N 0.22 1.03 -0.90 2.00 2.07 -0.62 0.05 116.25 120.10 2wcv h VAL 16 Ca 0.08 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2wcv h VAL 16 Cb 0.15 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2wcv h VAL 16 CO -0.01 0.05 0.53 -0.07 0.02 0.00 0.00 177.57 178.10 2wcv h LEU 17 N 0.29 1.09 -0.92 2.57 3.38 -0.77 -1.57 115.31 119.37 2wcv h LEU 17 Ca 0.09 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2wcv h LEU 17 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2wcv h LEU 17 CO -0.04 0.84 -0.36 0.00 0.09 0.00 0.00 178.44 178.98 2wcv h ALA 18 N 1.34 1.08 0.00 1.53 0.00 -0.84 -3.03 119.26 119.34 2wcv h ALA 18 Ca 0.32 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2wcv h ALA 18 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wcv h ALA 18 CO -0.06 0.58 -0.49 0.93 0.00 0.00 0.00 179.25 180.21 2wcv h GLU 19 N 0.30 0.00 -6.99 0.00 5.08 -0.47 -3.45 114.58 109.05 2wcv h GLU 19 Ca 0.03 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.86 2wcv h GLU 19 Cb 0.77 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.14 2wcv h GLU 19 CO 0.06 0.49 0.67 -1.64 -1.00 0.00 0.00 179.01 177.59 2wcv s MET 20 N -3.20 3.68 0.35 2.33 -1.94 -0.64 -5.02 119.30 114.86 2wcv s MET 20 Ca 0.02 2.33 0.00 0.00 -1.71 0.00 0.00 55.69 56.33 2wcv s MET 20 Cb 0.09 -2.62 -0.00 0.00 2.01 0.00 0.00 34.83 34.31 2wcv s MET 20 CO 0.73 -0.79 0.01 0.41 -0.01 0.00 0.00 175.02 175.36 2wcv n GLY 21 N 0.61 3.74 3.68 -0.03 0.00 -1.26 -5.02 105.19 106.91 2wcv n GLY 21 Ca 0.05 -2.31 -0.48 0.00 0.00 0.00 0.00 46.02 43.29 2wcv n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wcv n HIS 22 N -0.87 2.32 0.00 1.61 -0.00 -1.25 -1.69 115.22 115.33 2wcv n HIS 22 Ca -0.14 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.08 2wcv n HIS 22 Cb 0.45 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 2wcv n HIS 22 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wcv n GLY 23 N 4.23 3.45 3.76 1.57 0.00 0.23 -5.00 105.19 113.43 2wcv n GLY 23 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2wcv n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wcv s ASP 24 N -0.96 5.49 -0.05 1.61 1.01 -0.68 -4.70 116.67 118.38 2wcv s ASP 24 Ca 0.00 2.51 0.06 0.00 0.71 0.00 0.00 52.55 55.83 2wcv s ASP 24 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2wcv s ASP 24 CO 0.00 -1.40 -0.24 -1.61 0.21 0.00 0.00 175.17 172.13 2wcv s GLU 25 N -2.99 2.52 0.01 8.23 2.02 -1.26 -1.43 118.70 125.80 2wcv s GLU 25 Ca 0.71 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.89 2wcv s GLU 25 Cb -0.34 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 2wcv s GLU 25 CO 0.39 0.42 -0.20 -1.50 0.02 0.00 0.00 175.26 174.39 2wcv s ILE 26 N -0.25 1.57 -0.11 -1.63 2.07 0.07 -0.57 121.20 122.35 2wcv s ILE 26 Ca -0.01 -0.98 0.01 0.00 -1.41 0.00 0.00 60.65 58.26 2wcv s ILE 26 Cb -0.13 -1.33 -0.02 0.00 0.13 0.00 0.00 42.46 41.11 2wcv s ILE 26 CO 0.03 0.33 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.63 2wcv s ILE 27 N -0.60 3.09 -0.38 2.00 1.01 -0.98 -0.27 121.20 125.06 2wcv s ILE 27 Ca 0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 2wcv s ILE 27 Cb -0.08 -2.28 0.09 0.00 0.01 0.00 0.00 42.46 40.20 2wcv s ILE 27 CO 0.00 0.54 0.16 -0.36 0.00 0.00 0.00 174.94 175.29 2wcv s PHE 28 N 0.06 3.47 0.42 3.97 0.40 -0.20 -0.14 117.98 125.95 2wcv s PHE 28 Ca -0.05 -2.14 0.02 0.00 -0.60 0.00 0.00 56.93 54.17 2wcv s PHE 28 Cb -0.14 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 2wcv s PHE 28 CO 0.04 -0.91 0.61 -1.54 0.70 0.00 0.00 175.22 174.12 2wcv s SER 29 N 1.73 5.88 0.80 1.36 1.04 -0.08 -1.99 113.70 122.43 2wcv s SER 29 Ca 0.04 0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 2wcv s SER 29 Cb -0.22 -1.46 0.10 0.00 0.10 0.00 0.00 66.02 64.54 2wcv s SER 29 CO -0.02 -0.62 1.14 1.51 0.98 0.00 0.00 173.24 176.23 2wcv s ASP 30 N -4.20 4.35 0.52 7.02 1.47 -1.26 -1.50 116.67 123.07 2wcv s ASP 30 Ca 0.47 0.52 0.35 0.00 1.18 0.00 0.00 52.55 55.07 2wcv s ASP 30 Cb -0.10 -0.98 1.85 0.00 -0.34 0.00 0.00 42.92 43.35 2wcv s ASP 30 CO 0.36 -1.95 2.06 0.00 0.68 0.00 0.00 175.17 176.32 2wcv h ALA 31 N -0.98 1.00 -0.00 2.11 0.00 -0.65 -2.68 119.26 118.05 2wcv h ALA 31 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wcv h ALA 31 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wcv h ALA 31 CO 0.58 0.00 -0.57 0.72 0.00 0.00 0.00 179.25 179.97 2wcv n HIS 32 N -2.75 0.00 -2.05 0.00 8.25 -1.26 -4.94 115.22 112.47 2wcv n HIS 32 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2wcv n HIS 32 Cb 0.08 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2wcv n HIS 32 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wcv s PHE 33 N -2.84 3.10 -0.47 4.41 5.36 -1.01 -4.88 117.98 121.65 2wcv s PHE 33 Ca 0.14 0.96 -0.06 0.00 -0.96 0.00 0.00 56.93 57.01 2wcv s PHE 33 Cb 0.18 -3.79 -0.17 0.00 -0.34 0.00 0.00 43.02 38.90 2wcv s PHE 33 CO 0.69 -2.66 2.93 -0.35 -1.46 0.00 0.00 175.22 174.37 2wcv n PRO 34 N 2.98 2.15 -0.20 10.12 -0.04 -1.26 -4.72 135.00 144.03 2wcv n PRO 34 Ca 0.09 -1.20 -0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2wcv n PRO 34 Cb 0.41 -2.17 0.07 0.00 -0.04 0.00 0.00 33.50 31.76 2wcv n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wcv h ALA 35 N 4.21 0.47 0.00 0.55 0.00 -1.95 -1.91 119.26 120.63 2wcv h ALA 35 Ca 0.36 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2wcv h ALA 35 Cb 0.90 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wcv h ALA 35 CO 0.76 -0.42 0.00 0.72 0.00 0.00 0.00 179.25 180.30 2wcv n HIS 36 N -5.37 0.28 0.40 0.00 8.25 -1.26 -2.53 115.22 114.99 2wcv n HIS 36 Ca 0.07 0.12 0.11 0.00 -0.26 0.00 0.00 57.72 57.76 2wcv n HIS 36 Cb 0.33 -0.69 -0.02 0.00 1.12 0.00 0.00 29.99 30.73 2wcv n HIS 36 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wcv n SER 37 N -1.76 0.56 -0.10 0.41 7.64 -0.72 -4.47 113.62 115.17 2wcv n SER 37 Ca 0.02 -0.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 2wcv n SER 37 Cb 0.15 0.96 -0.04 0.00 -1.01 0.00 0.00 64.21 64.27 2wcv n SER 37 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2wcv h MET 38 N 0.00 0.63 0.00 1.43 2.86 -1.48 -3.49 114.93 114.88 2wcv h MET 38 Ca 0.00 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2wcv h MET 38 Cb 0.82 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2wcv h MET 38 CO 0.00 0.84 0.00 0.41 1.06 0.00 0.00 176.91 179.22 2wcv n GLY 39 N -0.08 3.75 3.60 8.32 0.00 -1.26 -4.52 105.19 114.99 2wcv n GLY 39 Ca -0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2wcv n GLY 39 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wcv s PRO 40 N 0.00 0.10 0.49 1.61 0.02 -1.26 -4.95 135.00 131.01 2wcv s PRO 40 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 61.00 61.77 2wcv s PRO 40 Cb 0.00 -1.66 -0.06 0.00 0.02 0.00 0.00 34.50 32.79 2wcv s PRO 40 CO 0.00 -3.08 1.25 1.14 -0.33 0.00 0.00 177.00 175.99 2wcv s GLN 41 N -4.65 3.51 -0.07 5.54 -2.07 -1.26 -4.76 119.66 115.90 2wcv s GLN 41 Ca 0.67 1.99 0.05 0.00 -1.82 0.00 0.00 55.36 56.24 2wcv s GLN 41 Cb -0.22 -2.36 -0.01 0.00 -1.09 0.00 0.00 33.01 29.32 2wcv s GLN 41 CO 0.61 -0.82 -0.21 0.08 -1.32 0.00 0.00 175.29 173.63 2wcv s VAL 42 N -1.43 2.39 -0.20 3.63 1.01 -1.26 -0.99 120.40 123.55 2wcv s VAL 42 Ca 0.67 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2wcv s VAL 42 Cb -0.34 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2wcv s VAL 42 CO 0.41 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 175.34 2wcv s ILE 43 N -0.14 2.85 0.15 2.22 1.01 0.24 -4.97 121.20 122.55 2wcv s ILE 43 Ca -0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 2wcv s ILE 43 Cb -0.14 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 2wcv s ILE 43 CO 0.04 0.47 1.02 -0.13 0.00 0.00 0.00 174.94 176.34 2wcv s ARG 44 N 1.33 4.66 -0.28 2.79 1.81 -1.26 -1.64 118.95 126.35 2wcv s ARG 44 Ca 0.04 1.57 0.20 0.00 -1.72 0.00 0.00 55.73 55.82 2wcv s ARG 44 Cb -0.14 -3.33 0.49 0.00 -0.45 0.00 0.00 34.95 31.52 2wcv s ARG 44 CO -0.06 0.17 1.07 0.00 -0.68 0.00 0.00 175.30 175.80 2wcv n ALA 45 N 2.55 3.03 -1.66 2.13 0.00 0.88 -4.91 120.51 122.53 2wcv n ALA 45 Ca 0.02 -2.96 -0.42 0.00 0.00 0.00 0.00 53.44 50.07 2wcv n ALA 45 Cb 0.48 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 2wcv n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wcv n ASP 46 N -0.45 2.19 0.00 0.00 8.00 -1.24 -2.13 116.55 122.92 2wcv n ASP 46 Ca 0.11 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2wcv n ASP 46 Cb 0.81 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2wcv n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wcv n GLY 47 N 0.93 2.85 3.88 0.44 0.00 -1.26 -4.73 105.19 107.30 2wcv n GLY 47 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2wcv n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wcv s LEU 48 N 0.00 4.34 0.36 0.99 1.43 -0.91 -4.77 118.68 120.13 2wcv s LEU 48 Ca 0.00 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 2wcv s LEU 48 Cb 0.00 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 2wcv s LEU 48 CO 0.00 0.18 0.79 -0.76 0.23 0.00 0.00 176.35 176.80 2wcv s LEU 49 N -2.02 4.00 0.18 1.79 1.02 -1.26 0.37 118.68 122.75 2wcv s LEU 49 Ca 0.32 1.36 -0.13 0.00 0.02 0.00 0.00 54.13 55.71 2wcv s LEU 49 Cb -0.13 -4.19 0.13 0.00 0.02 0.00 0.00 46.19 42.02 2wcv s LEU 49 CO 0.19 -0.27 1.79 0.58 0.02 0.00 0.00 176.35 178.65 2wcv h VAL 50 N 1.83 0.96 -0.42 -1.59 2.07 -1.92 -1.70 116.25 115.48 2wcv h VAL 50 Ca -0.48 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 66.97 2wcv h VAL 50 Cb 1.18 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2wcv h VAL 50 CO 0.64 0.09 0.30 0.77 0.02 0.00 0.00 177.57 179.39 2wcv h SER 51 N 0.50 0.10 -0.26 0.57 4.64 -1.93 -1.29 113.55 115.87 2wcv h SER 51 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 2wcv h SER 51 Cb 0.12 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2wcv h SER 51 CO -0.15 0.06 0.04 0.44 -0.87 0.00 0.00 176.83 176.34 2wcv h ASP 52 N 0.11 0.43 -0.13 4.97 3.32 -1.69 -2.29 116.42 121.13 2wcv h ASP 52 Ca 0.20 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2wcv h ASP 52 Cb 0.65 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2wcv h ASP 52 CO -0.02 0.59 0.01 -0.07 -1.72 0.00 0.00 179.24 178.02 2wcv h LEU 53 N 0.25 0.21 -0.87 1.55 -0.00 -1.23 -2.01 115.31 113.21 2wcv h LEU 53 Ca 0.08 -0.29 0.16 0.00 -0.00 0.00 0.00 57.88 57.83 2wcv h LEU 53 Cb 0.35 -0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 40.85 2wcv h LEU 53 CO 0.01 0.45 0.45 -0.07 -0.00 0.00 0.00 178.44 179.28 2wcv h LEU 54 N -0.03 0.54 -0.46 1.67 4.07 -1.25 0.67 115.31 120.53 2wcv h LEU 54 Ca 0.04 0.10 -0.12 0.00 0.08 0.00 0.00 57.88 57.97 2wcv h LEU 54 Cb 0.33 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 2wcv h LEU 54 CO 0.00 0.21 -0.18 -0.61 -1.08 0.00 0.00 178.44 176.78 2wcv h GLN 55 N 0.62 0.93 -0.23 1.13 4.15 -1.32 -0.42 115.11 119.97 2wcv h GLN 55 Ca 0.48 -0.39 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 2wcv h GLN 55 Cb 0.71 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2wcv h GLN 55 CO -0.38 1.05 -0.38 0.00 -1.93 0.00 0.00 178.83 177.19 2wcv h ALA 56 N 0.85 0.92 0.20 3.38 0.00 -0.23 -3.34 119.26 121.05 2wcv h ALA 56 Ca 0.11 -0.42 -0.35 0.00 0.00 0.00 0.00 54.91 54.25 2wcv h ALA 56 Cb 0.75 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.45 2wcv h ALA 56 CO 0.06 0.63 -1.70 0.82 0.00 0.00 0.00 179.25 179.06 2wcv h ILE 57 N 0.43 1.01 -0.96 0.00 5.03 0.34 -3.40 117.51 119.96 2wcv h ILE 57 Ca 0.04 -2.55 0.25 0.00 -0.12 0.00 0.00 64.86 62.48 2wcv h ILE 57 Cb 0.85 2.83 -0.06 0.00 -3.03 0.00 0.00 36.82 37.41 2wcv h ILE 57 CO 0.07 0.85 0.66 -0.29 -0.68 0.00 0.00 178.15 178.76 2wcv h ILE 58 N 0.11 0.57 0.00 -0.67 6.09 -1.19 -0.68 117.51 121.74 2wcv h ILE 58 Ca -0.33 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 2wcv h ILE 58 Cb 2.12 0.35 0.00 0.00 0.47 0.00 0.00 36.82 39.75 2wcv h ILE 58 CO 0.20 0.04 0.00 1.55 -3.07 0.00 0.00 178.15 176.87 2wcv h PRO 59 N 0.21 0.00 0.00 2.19 0.13 -1.77 -3.13 132.00 129.63 2wcv h PRO 59 Ca 0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.57 2wcv h PRO 59 Cb 1.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.67 2wcv h PRO 59 CO -0.12 0.00 -1.77 1.28 -0.23 0.00 0.00 178.00 177.16 2wcv n LEU 60 N -2.78 0.00 -4.46 1.56 4.77 -0.33 -4.94 117.00 110.81 2wcv n LEU 60 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2wcv n LEU 60 Cb 0.26 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2wcv n LEU 60 CO 0.24 0.07 -0.10 0.12 -1.33 0.00 0.00 177.39 176.39 2wcv s PHE 61 N -2.95 3.23 0.04 -1.77 5.36 -0.77 -5.07 117.98 116.05 2wcv s PHE 61 Ca -0.06 -0.55 -0.28 0.00 -0.96 0.00 0.00 56.93 55.08 2wcv s PHE 61 Cb 0.09 -2.53 -0.05 0.00 -0.34 0.00 0.00 43.02 40.20 2wcv s PHE 61 CO 0.64 -0.53 0.88 -2.00 -1.46 0.00 0.00 175.22 172.75 2wcv s GLU 62 N 1.67 4.57 0.24 10.12 2.56 -1.26 -4.77 118.70 131.83 2wcv s GLU 62 Ca 0.05 1.27 -0.19 0.00 0.00 0.00 0.00 54.97 56.10 2wcv s GLU 62 Cb -0.19 -3.41 -0.08 0.00 2.00 0.00 0.00 34.13 32.45 2wcv s GLU 62 CO 0.09 0.13 0.74 -0.51 -0.56 0.00 0.00 175.26 175.15 2wcv s LEU 63 N 0.39 4.30 0.31 2.70 1.43 -1.26 -0.73 118.68 125.83 2wcv s LEU 63 Ca 0.45 1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 2wcv s LEU 63 Cb -0.21 -3.68 -0.11 0.00 0.03 0.00 0.00 46.19 42.22 2wcv s LEU 63 CO 0.26 -0.01 1.53 -0.62 0.23 0.00 0.00 176.35 177.75 2wcv s ASP 64 N -1.74 6.42 0.00 2.29 -1.08 -0.15 -4.05 116.67 118.36 2wcv s ASP 64 Ca 0.45 2.93 0.09 0.00 -0.52 0.00 0.00 52.55 55.50 2wcv s ASP 64 Cb -0.16 -2.64 0.03 0.00 -1.46 0.00 0.00 42.92 38.69 2wcv s ASP 64 CO 0.21 -0.86 0.69 -1.54 0.52 0.00 0.00 175.17 174.18 2wcv n SER 65 N 1.70 1.44 0.02 -0.34 3.41 -1.26 -4.25 113.62 114.33 2wcv n SER 65 Ca 0.06 -1.22 0.12 0.00 -0.26 0.00 0.00 58.87 57.56 2wcv n SER 65 Cb 0.38 0.26 0.12 0.00 -0.26 0.00 0.00 64.21 64.71 2wcv n SER 65 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wcv n TYR 66 N 0.09 0.18 -3.48 7.33 4.02 -1.26 -4.95 117.16 119.09 2wcv n TYR 66 Ca 0.05 0.05 -0.12 0.00 -0.01 0.00 0.00 57.90 57.87 2wcv n TYR 66 Cb 0.21 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.15 2wcv n TYR 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wcv s ALA 67 N -3.09 -1.43 -0.03 -0.72 0.00 -1.26 -5.11 121.76 110.11 2wcv s ALA 67 Ca 0.07 0.40 -0.36 0.00 0.00 0.00 0.00 51.96 52.07 2wcv s ALA 67 Cb 0.16 0.79 -0.14 0.00 0.00 0.00 0.00 23.12 23.93 2wcv s ALA 67 CO 0.76 -0.71 1.70 -0.35 0.00 0.00 0.00 175.76 177.15 2wcv n PRO 68 N -0.26 1.84 0.00 0.00 -0.04 -1.26 -4.72 135.00 130.56 2wcv n PRO 68 Ca -0.17 0.67 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2wcv n PRO 68 Cb 0.64 -2.44 0.33 0.00 -0.04 0.00 0.00 33.50 31.99 2wcv n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2wcv n PRO 69 N 4.95 0.42 -4.00 0.54 -0.04 -1.26 -4.82 135.00 130.79 2wcv n PRO 69 Ca 0.21 -0.24 -0.23 0.00 -0.04 0.00 0.00 63.50 63.21 2wcv n PRO 69 Cb 0.25 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.04 2wcv n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wcv s LEU 70 N -2.75 1.05 -0.02 1.53 1.43 -1.26 -1.37 118.68 117.29 2wcv s LEU 70 Ca 0.18 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2wcv s LEU 70 Cb 0.18 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.86 2wcv s LEU 70 CO 0.60 -0.11 -0.13 -0.69 0.23 0.00 0.00 176.35 176.25 2wcv s VAL 71 N 1.44 1.08 0.32 -1.59 1.01 -0.41 -1.54 120.40 120.70 2wcv s VAL 71 Ca -0.02 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2wcv s VAL 71 Cb -0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2wcv s VAL 71 CO -0.03 0.31 0.10 -0.04 0.00 0.00 0.00 175.10 175.44 2wcv s MET 72 N -0.08 1.62 -0.12 2.72 -1.94 0.25 -0.27 119.30 121.48 2wcv s MET 72 Ca 0.01 -1.92 -0.17 0.00 -1.71 0.00 0.00 55.69 51.89 2wcv s MET 72 Cb -0.08 -0.51 -0.04 0.00 2.01 0.00 0.00 34.83 36.21 2wcv s MET 72 CO 0.00 -0.32 0.44 1.41 -0.01 0.00 0.00 175.02 176.54 2wcv s MET 73 N -3.89 4.31 0.39 2.03 1.75 -1.26 -0.90 119.30 121.75 2wcv s MET 73 Ca 0.34 0.38 -0.24 0.00 -1.25 0.00 0.00 55.69 54.92 2wcv s MET 73 Cb 0.07 -3.43 -0.09 0.00 2.84 0.00 0.00 34.83 34.22 2wcv s MET 73 CO 0.15 0.19 1.06 0.00 -0.65 0.00 0.00 175.02 175.77 2wcv s ALA 74 N 0.55 3.10 0.61 4.11 0.00 0.04 -4.79 121.76 125.39 2wcv s ALA 74 Ca 0.24 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 2wcv s ALA 74 Cb -0.15 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2wcv s ALA 74 CO 0.09 -0.24 1.19 0.00 0.00 0.00 0.00 175.76 176.80 2wcv s ALA 75 N -1.61 2.49 0.30 0.00 0.00 -1.26 -4.21 121.76 117.47 2wcv s ALA 75 Ca 0.57 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 2wcv s ALA 75 Cb -0.23 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.34 2wcv s ALA 75 CO 0.29 -1.24 1.57 0.28 0.00 0.00 0.00 175.76 176.66 2wcv n VAL 76 N -1.81 1.15 -1.48 0.00 0.31 -1.26 -4.81 118.33 110.44 2wcv n VAL 76 Ca 0.13 -0.29 -0.52 0.00 -0.01 0.00 0.00 64.34 63.65 2wcv n VAL 76 Cb 0.50 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 2wcv n VAL 76 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wcv n GLU 77 N 1.92 0.24 0.00 5.55 4.07 -1.26 -0.26 120.64 130.89 2wcv n GLU 77 Ca 0.08 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 2wcv n GLU 77 Cb 0.37 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 2wcv n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wcv n GLY 78 N 1.79 2.68 3.99 8.31 0.00 -1.26 -5.01 105.19 115.69 2wcv n GLY 78 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2wcv n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wcv s ASP 79 N -1.90 5.32 0.07 1.61 2.15 0.63 -5.13 116.67 119.43 2wcv s ASP 79 Ca 0.00 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 52.33 2wcv s ASP 79 Cb 0.00 -0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.31 2wcv s ASP 79 CO 0.00 -0.95 -0.06 0.42 -0.17 0.00 0.00 175.17 174.41 2wcv s THR 80 N -2.50 0.54 0.58 1.71 -4.23 -1.26 -4.74 115.64 105.74 2wcv s THR 80 Ca 0.55 -1.61 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 2wcv s THR 80 Cb -0.07 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 2wcv s THR 80 CO 0.33 -0.73 0.92 -0.76 -0.54 0.00 0.00 174.62 173.85 2wcv s LEU 81 N -2.51 3.29 -0.48 4.79 1.43 -1.26 -4.99 118.68 118.95 2wcv s LEU 81 Ca 0.03 0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 2wcv s LEU 81 Cb 0.00 -3.86 0.06 0.00 0.03 0.00 0.00 46.19 42.43 2wcv s LEU 81 CO -0.04 -0.94 0.50 -0.62 0.23 0.00 0.00 176.35 175.48 2wcv s ASP 82 N -4.24 6.18 0.61 2.29 2.15 -1.26 -4.93 116.67 117.47 2wcv s ASP 82 Ca 0.53 -1.08 0.27 0.00 0.43 0.00 0.00 52.55 52.70 2wcv s ASP 82 Cb -0.11 -2.23 1.31 0.00 -0.30 0.00 0.00 42.92 41.59 2wcv s ASP 82 CO 0.48 -0.75 1.73 1.55 -0.17 0.00 0.00 175.17 178.00 2wcv h PRO 83 N 8.86 0.00 -0.02 4.34 0.13 -2.00 -0.50 132.00 142.81 2wcv h PRO 83 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 2wcv h PRO 83 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2wcv h PRO 83 CO 0.91 0.00 -0.34 0.93 -0.23 0.00 0.00 178.00 179.27 2wcv h GLU 84 N 0.00 0.03 0.66 0.86 4.39 -1.99 -2.59 114.58 115.93 2wcv h GLU 84 Ca 0.24 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 2wcv h GLU 84 Cb 1.54 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.18 2wcv h GLU 84 CO -0.00 0.37 -0.42 0.28 -1.16 0.00 0.00 179.01 178.08 2wcv h VAL 85 N 0.03 0.16 -0.24 3.13 2.07 -1.49 -0.51 116.25 119.40 2wcv h VAL 85 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2wcv h VAL 85 Cb 0.62 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2wcv h VAL 85 CO 0.05 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 177.41 2wcv h GLU 86 N -1.02 0.40 -0.48 1.57 4.81 -1.71 -0.64 114.58 117.51 2wcv h GLU 86 Ca -0.08 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2wcv h GLU 86 Cb 0.83 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2wcv h GLU 86 CO 0.07 0.55 0.10 -0.09 -0.73 0.00 0.00 179.01 178.91 2wcv h ARG 87 N 0.38 0.79 -0.70 1.92 2.43 -1.32 0.31 114.38 118.19 2wcv h ARG 87 Ca 0.07 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2wcv h ARG 87 Cb 0.48 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2wcv h ARG 87 CO 0.03 0.78 0.28 -0.09 -1.51 0.00 0.00 179.97 179.46 2wcv h ARG 88 N 0.67 1.04 -0.13 0.20 2.43 -0.76 -1.82 114.38 116.02 2wcv h ARG 88 Ca 0.15 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2wcv h ARG 88 Cb 0.36 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2wcv h ARG 88 CO 0.01 0.86 -0.01 1.88 -1.51 0.00 0.00 179.97 181.20 2wcv h TYR 89 N 1.00 0.25 -0.73 2.20 -1.99 -0.72 -1.33 116.97 115.65 2wcv h TYR 89 Ca 0.23 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.96 2wcv h TYR 89 Cb 0.20 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 2wcv h TYR 89 CO 0.01 0.48 0.48 0.00 -0.00 0.00 0.00 178.16 179.14 2wcv h ARG 90 N -0.05 0.82 -0.13 4.88 3.08 -0.28 -0.65 114.38 122.04 2wcv h ARG 90 Ca 0.03 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2wcv h ARG 90 Cb 0.39 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wcv h ARG 90 CO 0.01 0.54 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.32 2wcv h ASN 91 N 0.84 0.43 -0.85 7.04 2.35 -1.20 0.33 115.58 124.53 2wcv h ASN 91 Ca 0.30 -0.54 0.11 0.00 -0.55 0.00 0.00 56.30 55.62 2wcv h ASN 91 Cb 0.12 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 2wcv h ASN 91 CO -0.09 0.88 0.55 0.00 -1.65 0.00 0.00 177.43 177.13 2wcv h ALA 92 N 0.56 1.73 -0.00 -0.83 0.00 -0.61 0.23 119.26 120.33 2wcv h ALA 92 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wcv h ALA 92 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wcv h ALA 92 CO 0.05 0.09 -0.14 1.28 0.00 0.00 0.00 179.25 180.53 2wcv n LEU 93 N -4.53 0.26 -2.84 0.00 4.77 -0.31 -3.82 117.00 110.54 2wcv n LEU 93 Ca 0.15 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 2wcv n LEU 93 Cb 0.35 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2wcv n LEU 93 CO 0.31 0.06 0.11 -1.20 -1.33 0.00 0.00 177.39 175.34 2wcv n SER 94 N -1.29 -3.02 -4.62 -1.43 7.64 0.80 -5.05 113.62 106.66 2wcv n SER 94 Ca 0.10 -0.45 -0.34 0.00 1.01 0.00 0.00 58.87 59.19 2wcv n SER 94 Cb 0.31 -3.98 -0.10 0.00 -1.01 0.00 0.00 64.21 59.43 2wcv n SER 94 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wcv s LEU 95 N -5.44 3.32 0.00 -3.43 1.43 0.11 -5.02 118.68 109.65 2wcv s LEU 95 Ca 0.13 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2wcv s LEU 95 Cb -0.06 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2wcv s LEU 95 CO 0.55 0.35 0.00 -2.65 0.23 0.00 0.00 176.35 174.83 2wcv n PRO 98 N 2.07 0.00 -0.23 1.29 -0.02 -1.26 -4.81 135.00 132.04 2wcv n PRO 98 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2wcv n PRO 98 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2wcv n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wcv s PRO 100 N 0.65 2.98 0.65 0.00 0.04 -1.26 -5.18 135.00 132.88 2wcv s PRO 100 Ca 0.00 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.18 2wcv s PRO 100 Cb 0.00 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.39 2wcv s PRO 100 CO 0.00 -0.75 0.92 0.34 0.04 0.00 0.00 177.00 177.55 2wcv s ASP 101 N -4.30 4.96 -0.31 6.66 2.15 -1.26 -5.05 116.67 119.52 2wcv s ASP 101 Ca 0.55 0.24 -0.09 0.00 0.43 0.00 0.00 52.55 53.68 2wcv s ASP 101 Cb -0.11 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.55 2wcv s ASP 101 CO 0.47 -1.44 0.13 -0.63 -0.17 0.00 0.00 175.17 173.54 2wcv s ILE 102 N -3.06 4.39 0.34 4.11 1.01 -1.26 -4.55 121.20 122.18 2wcv s ILE 102 Ca 0.59 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 2wcv s ILE 102 Cb -0.10 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 2wcv s ILE 102 CO 0.42 0.05 1.06 -0.63 0.00 0.00 0.00 174.94 175.84 2wcv s ILE 103 N 1.57 3.68 -0.17 2.92 1.01 -0.59 -4.85 121.20 124.77 2wcv s ILE 103 Ca 0.04 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.15 2wcv s ILE 103 Cb -0.17 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2wcv s ILE 103 CO 0.05 0.17 -0.19 -0.13 0.00 0.00 0.00 174.94 174.84 2wcv s ARG 104 N -2.03 2.84 0.13 2.79 1.81 -1.26 0.86 118.95 124.10 2wcv s ARG 104 Ca 0.52 -0.77 0.10 0.00 -1.72 0.00 0.00 55.73 53.85 2wcv s ARG 104 Cb -0.26 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.74 2wcv s ARG 104 CO 0.32 -0.21 -0.20 0.96 -0.68 0.00 0.00 175.30 175.49 2wcv s ILE 105 N 1.32 2.66 0.63 1.52 -4.36 -0.07 -4.64 121.20 118.26 2wcv s ILE 105 Ca 0.05 -1.65 -0.18 0.00 -0.26 0.00 0.00 60.65 58.61 2wcv s ILE 105 Cb -0.13 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 2wcv s ILE 105 CO -0.12 0.05 1.15 -0.46 0.24 0.00 0.00 174.94 175.80 2wcv n ASN 106 N 0.70 1.53 -0.29 4.36 0.23 -1.26 -0.78 115.26 119.74 2wcv n ASN 106 Ca -0.15 0.82 0.00 0.00 -0.53 0.00 0.00 54.58 54.72 2wcv n ASN 106 Cb 0.53 -1.49 0.04 0.00 -2.08 0.00 0.00 39.78 36.79 2wcv n ASN 106 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wcv n ARG 107 N -1.50 -0.16 0.08 -3.83 0.63 -1.26 -0.04 116.66 110.59 2wcv n ARG 107 Ca 0.15 1.17 -0.09 0.00 -0.92 0.00 0.00 57.85 58.17 2wcv n ARG 107 Cb 0.48 -1.74 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 2wcv n ARG 107 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 2wcv h PHE 108 N 0.00 0.29 -0.35 -0.14 0.04 -1.97 -2.22 116.94 112.58 2wcv h PHE 108 Ca 0.28 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 2wcv h PHE 108 Cb 0.47 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 2wcv h PHE 108 CO -0.65 0.98 -0.08 0.00 -0.60 0.00 0.00 178.31 177.95 2wcv h ALA 109 N 0.97 1.20 -0.51 2.45 0.00 -1.22 -0.45 119.26 121.70 2wcv h ALA 109 Ca -0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2wcv h ALA 109 Cb 1.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2wcv h ALA 109 CO 0.13 0.52 0.11 0.35 0.00 0.00 0.00 179.25 180.36 2wcv h PHE 110 N 0.55 0.88 -0.66 0.00 3.57 -0.27 -2.46 116.94 118.55 2wcv h PHE 110 Ca 0.10 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2wcv h PHE 110 Cb 0.48 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2wcv h PHE 110 CO 0.02 0.78 0.31 1.88 -2.23 0.00 0.00 178.31 179.07 2wcv h TYR 111 N 0.72 0.95 -0.46 0.41 0.99 -0.77 -0.90 116.97 117.90 2wcv h TYR 111 Ca 0.16 -0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.90 2wcv h TYR 111 Cb 0.36 -0.29 -0.05 0.00 1.00 0.00 0.00 36.73 37.74 2wcv h TYR 111 CO 0.02 0.71 0.17 0.93 -0.00 0.00 0.00 178.16 179.99 2wcv h GLU 112 N 0.91 0.34 0.00 4.88 4.39 -0.85 -1.45 114.58 122.80 2wcv h GLU 112 Ca 0.22 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 2wcv h GLU 112 Cb 0.12 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2wcv h GLU 112 CO -0.03 0.22 -0.46 -0.09 -1.16 0.00 0.00 179.01 177.50 2wcv h ARG 113 N 0.35 0.00 0.00 2.33 2.43 -1.16 -2.85 114.38 115.48 2wcv h ARG 113 Ca 0.21 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2wcv h ARG 113 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2wcv h ARG 113 CO -0.21 0.46 -0.13 0.00 -1.51 0.00 0.00 179.97 178.58 2wcv h ALA 114 N 1.54 1.01 0.00 2.80 0.00 -0.16 -2.72 119.26 121.73 2wcv h ALA 114 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wcv h ALA 114 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2wcv h ALA 114 CO 0.06 0.16 -0.27 1.96 0.00 0.00 0.00 179.25 181.16 2wcv h GLN 115 N 0.00 0.00 -0.56 0.00 4.20 -1.09 -2.95 115.11 114.70 2wcv h GLN 115 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wcv h GLN 115 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2wcv h GLN 115 CO 0.02 0.27 0.00 1.63 -0.67 0.00 0.00 178.83 180.07 2wcv n LYS 116 N -3.59 2.86 -1.60 1.46 4.76 -1.04 -4.34 118.16 116.69 2wcv n LYS 116 Ca -0.01 -2.43 -0.31 0.00 -2.87 0.00 0.00 58.31 52.69 2wcv n LYS 116 Cb 0.40 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 32.17 2wcv n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wcv s ALA 117 N -1.10 2.66 0.21 7.82 0.00 -1.12 -4.91 121.76 125.33 2wcv s ALA 117 Ca 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 2wcv s ALA 117 Cb 0.21 -3.15 0.17 0.00 0.00 0.00 0.00 23.12 20.34 2wcv s ALA 117 CO 0.25 -1.25 1.57 0.35 0.00 0.00 0.00 175.76 176.68 2wcv h PHE 118 N -0.74 0.75 -2.26 0.00 3.04 -1.18 -3.43 116.94 113.12 2wcv h PHE 118 Ca -0.44 -0.22 0.13 0.00 3.98 0.00 0.00 57.97 61.41 2wcv h PHE 118 Cb 1.22 -0.16 -0.14 0.00 2.56 0.00 0.00 35.95 39.42 2wcv h PHE 118 CO 0.60 0.93 0.51 0.00 -2.02 0.00 0.00 178.31 178.32 2wcv s ALA 119 N -4.27 -1.81 -0.08 2.41 0.00 -1.25 -4.30 121.76 112.46 2wcv s ALA 119 Ca -0.08 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2wcv s ALA 119 Cb 0.12 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.69 2wcv s ALA 119 CO 0.83 -0.74 -0.11 0.42 0.00 0.00 0.00 175.76 176.17 2wcv s ILE 120 N -3.12 1.11 -0.34 0.00 1.01 -0.16 -2.32 121.20 117.38 2wcv s ILE 120 Ca 0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 2wcv s ILE 120 Cb -0.01 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.45 2wcv s ILE 120 CO -0.07 0.36 0.12 -0.69 0.00 0.00 0.00 174.94 174.66 2wcv s VAL 121 N 1.02 3.85 -0.29 2.92 1.01 0.80 -0.59 120.40 129.11 2wcv s VAL 121 Ca -0.08 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 2wcv s VAL 121 Cb -0.15 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2wcv s VAL 121 CO -0.01 -0.20 0.66 -0.51 0.00 0.00 0.00 175.10 175.04 2wcv s ILE 122 N 1.41 4.92 0.16 2.22 2.07 -0.65 -0.90 121.20 130.43 2wcv s ILE 122 Ca -0.01 0.98 0.01 0.00 -1.41 0.00 0.00 60.65 60.21 2wcv s ILE 122 Cb -0.20 -4.01 0.03 0.00 0.13 0.00 0.00 42.46 38.41 2wcv s ILE 122 CO 0.03 -0.12 0.22 0.35 -1.91 0.00 0.00 174.94 173.51 2wcv n THR 123 N 5.38 0.00 -0.67 4.00 -2.24 -0.56 -0.09 114.28 120.11 2wcv n THR 123 Ca -0.00 -0.43 0.09 0.00 -2.27 0.00 0.00 64.05 61.45 2wcv n THR 123 Cb 0.49 -1.09 0.37 0.00 -2.10 0.00 0.00 70.33 67.99 2wcv n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wcv n GLY 124 N 3.18 2.79 3.65 3.38 0.00 0.16 -3.13 105.19 115.22 2wcv n GLY 124 Ca 0.04 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2wcv n GLY 124 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wcv s GLU 125 N -1.97 4.09 0.00 1.61 2.56 -1.15 -4.69 118.70 119.16 2wcv s GLU 125 Ca 0.52 2.28 0.23 0.00 0.00 0.00 0.00 54.97 58.01 2wcv s GLU 125 Cb 0.34 -4.07 0.17 0.00 2.00 0.00 0.00 34.13 32.57 2wcv s GLU 125 CO 0.24 -0.97 1.20 0.54 -0.56 0.00 0.00 175.26 175.70 2wcv n ARG 126 N 7.38 1.10 -2.19 4.30 5.12 -1.26 -0.36 116.66 130.75 2wcv n ARG 126 Ca 0.19 -0.86 -0.41 0.00 -1.93 0.00 0.00 57.85 54.84 2wcv n ARG 126 Cb 0.42 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.22 2wcv n ARG 126 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wcv s ALA 127 N -2.50 3.51 0.41 7.54 0.00 -1.26 -4.96 121.76 124.50 2wcv s ALA 127 Ca 0.20 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 2wcv s ALA 127 Cb 0.18 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2wcv s ALA 127 CO 0.57 -0.55 1.43 0.21 0.00 0.00 0.00 175.76 177.41 2wcv s LYS 128 N -1.04 3.93 -1.40 0.00 2.20 -1.26 -2.81 119.74 119.36 2wcv s LYS 128 Ca 0.52 2.43 -0.05 0.00 -0.36 0.00 0.00 55.97 58.52 2wcv s LYS 128 Cb -0.38 -2.82 0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2wcv s LYS 128 CO 0.45 -0.63 0.77 0.66 -0.36 0.00 0.00 175.35 176.24 2wcv n TYR 129 N 0.16 -2.01 0.84 4.03 4.02 -1.26 -4.76 117.16 118.17 2wcv n TYR 129 Ca 0.03 0.85 0.09 0.00 -0.01 0.00 0.00 57.90 58.87 2wcv n TYR 129 Cb 0.41 -4.18 0.28 0.00 -0.02 0.00 0.00 39.34 35.83 2wcv n TYR 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wcv n GLY 130 N -1.65 0.81 3.75 2.72 0.00 -1.12 -4.77 105.19 104.93 2wcv n GLY 130 Ca -0.18 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2wcv n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wcv s ASN 131 N -1.33 7.05 -0.07 1.61 0.01 -1.26 -4.35 114.94 116.60 2wcv s ASN 131 Ca 0.32 2.35 -0.05 0.00 -0.71 0.00 0.00 52.86 54.77 2wcv s ASN 131 Cb 0.17 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.24 2wcv s ASN 131 CO 0.24 -0.36 0.17 -0.51 -1.51 0.00 0.00 177.10 175.14 2wcv s ILE 132 N -0.54 -0.02 -0.14 0.60 2.07 -0.84 -4.05 121.20 118.27 2wcv s ILE 132 Ca 0.50 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.80 2wcv s ILE 132 Cb -0.34 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 41.96 2wcv s ILE 132 CO 0.41 0.03 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.18 2wcv s LEU 133 N 0.61 3.08 -0.05 8.50 0.20 0.63 -1.03 118.68 130.62 2wcv s LEU 133 Ca -0.04 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.62 2wcv s LEU 133 Cb -0.06 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 2wcv s LEU 133 CO -0.03 0.18 -0.13 -0.76 -0.29 0.00 0.00 176.35 175.32 2wcv s LEU 134 N 0.29 2.82 -0.18 -0.68 1.02 0.63 -1.29 118.68 121.30 2wcv s LEU 134 Ca -0.06 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 2wcv s LEU 134 Cb -0.15 -1.58 -0.00 0.00 0.02 0.00 0.00 46.19 44.48 2wcv s LEU 134 CO 0.04 0.35 -0.11 -0.75 0.02 0.00 0.00 176.35 175.89 2wcv s LYS 135 N -0.77 3.29 0.34 1.70 2.20 -0.47 -0.75 119.74 125.27 2wcv s LYS 135 Ca 0.12 -0.70 -0.27 0.00 -0.36 0.00 0.00 55.97 54.76 2wcv s LYS 135 Cb -0.11 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.35 2wcv s LYS 135 CO 0.01 -0.06 1.09 0.21 -0.36 0.00 0.00 175.35 176.24 2wcv s LYS 136 N 1.05 4.39 0.00 4.03 2.20 -0.51 -0.98 119.74 129.92 2wcv s LYS 136 Ca -0.00 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 2wcv s LYS 136 Cb -0.15 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 2wcv s LYS 136 CO -0.02 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 2wcv n GLY 137 N 0.81 2.48 3.50 5.54 0.00 0.09 -0.60 105.19 117.01 2wcv n GLY 137 Ca 0.02 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 2wcv n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wcv s VAL 138 N 2.77 5.14 -0.03 1.61 1.01 -1.26 -3.94 120.40 125.69 2wcv s VAL 138 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2wcv s VAL 138 Cb 0.00 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 2wcv s VAL 138 CO 0.00 -0.05 2.04 0.41 0.00 0.00 0.00 175.10 177.51 2wcv n THR 139 N 5.09 0.66 0.79 3.92 -1.04 -1.26 -4.98 114.28 117.45 2wcv n THR 139 Ca -0.13 -0.23 0.06 0.00 -2.04 0.00 0.00 64.05 61.72 2wcv n THR 139 Cb 0.49 -2.38 0.37 0.00 -1.82 0.00 0.00 70.33 66.99 2wcv n THR 139 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62