#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 1.39 0.44 3.17 1.43 -1.26 -5.12 118.68 118.72 2wcv s LEU 2 Ca 0.00 -1.40 -0.00 0.00 -1.03 0.00 0.00 54.13 51.70 2wcv s LEU 2 Cb 0.00 0.22 -0.01 0.00 0.03 0.00 0.00 46.19 46.43 2wcv s LEU 2 CO 0.00 -0.80 0.66 -0.54 0.23 0.00 0.00 176.35 175.91 2wcv s LYS 3 N -4.08 3.20 0.00 1.70 1.02 -1.26 -4.40 119.74 115.92 2wcv s LYS 3 Ca 0.38 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.01 2wcv s LYS 3 Cb 0.07 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2wcv s LYS 3 CO 0.13 -0.19 0.00 2.41 -0.92 0.00 0.00 175.35 176.79 2wcv n THR 4 N -2.05 0.00 -3.32 2.17 -1.04 -1.26 -4.88 114.28 103.90 2wcv n THR 4 Ca -0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2wcv n THR 4 Cb 0.57 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.02 2wcv n THR 4 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wcv s ILE 5 N 0.00 5.12 0.15 12.58 1.01 -1.26 -5.02 121.20 133.78 2wcv s ILE 5 Ca 0.00 0.98 -0.34 0.00 0.00 0.00 0.00 60.65 61.30 2wcv s ILE 5 Cb 0.00 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.52 2wcv s ILE 5 CO 0.00 0.38 1.61 -0.24 0.00 0.00 0.00 174.94 176.69 2wcv n SER 6 N 3.27 3.22 0.00 3.58 2.88 -1.26 -4.52 113.62 120.79 2wcv n SER 6 Ca -0.08 1.07 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 2wcv n SER 6 Cb 0.52 -1.44 0.43 0.00 -0.75 0.00 0.00 64.21 62.96 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 3.70 0.32 0.16 -1.46 -0.04 -1.26 -2.45 135.00 133.98 2wcv n PRO 7 Ca 0.17 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2wcv n PRO 7 Cb 0.30 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.66 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 -8.75 1.53 4.07 -1.97 -3.42 115.31 106.77 2wcv h LEU 8 Ca 0.00 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.34 2wcv h LEU 8 Cb 0.10 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.71 2wcv h LEU 8 CO 0.00 0.00 0.29 -0.63 -1.08 0.00 0.00 178.44 177.02 2wcv s ILE 9 N -3.26 4.77 0.60 1.22 1.01 -1.03 -5.01 121.20 119.50 2wcv s ILE 9 Ca 0.07 0.65 -0.18 0.00 0.00 0.00 0.00 60.65 61.19 2wcv s ILE 9 Cb 0.09 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2wcv s ILE 9 CO 0.56 -0.47 1.19 -0.94 0.00 0.00 0.00 174.94 175.29 2wcv s SER 10 N 1.90 5.19 0.42 3.58 1.04 -1.26 -4.76 113.70 119.81 2wcv s SER 10 Ca 0.28 2.34 0.18 0.00 0.48 0.00 0.00 55.95 59.23 2wcv s SER 10 Cb -0.13 -2.59 1.09 0.00 0.10 0.00 0.00 66.02 64.48 2wcv s SER 10 CO 0.18 -1.59 1.84 1.55 0.98 0.00 0.00 173.24 176.20 2wcv h PRO 11 N 0.82 0.39 -0.42 4.02 0.13 -1.96 0.16 132.00 135.14 2wcv h PRO 11 Ca -0.50 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 2wcv h PRO 11 Cb 1.29 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wcv h PRO 11 CO 0.55 0.26 -0.25 1.49 -0.23 0.00 0.00 178.00 179.82 2wcv h GLU 12 N 0.40 0.87 -0.38 0.86 4.57 -2.00 -2.32 114.58 116.58 2wcv h GLU 12 Ca 0.49 -0.37 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 2wcv h GLU 12 Cb 1.24 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2wcv h GLU 12 CO -0.19 1.02 -0.22 1.25 -1.18 0.00 0.00 179.01 179.68 2wcv h LEU 13 N 0.74 0.75 -0.28 1.64 5.85 -1.36 -1.47 115.31 121.19 2wcv h LEU 13 Ca 0.09 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2wcv h LEU 13 Cb 0.80 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2wcv h LEU 13 CO 0.07 0.96 0.16 0.25 -0.34 0.00 0.00 178.44 179.53 2wcv h LEU 14 N 0.65 0.34 -0.42 2.25 5.85 -1.06 0.12 115.31 123.04 2wcv h LEU 14 Ca 0.09 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2wcv h LEU 14 Cb 0.72 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2wcv h LEU 14 CO 0.06 0.31 0.24 0.50 -0.34 0.00 0.00 178.44 179.20 2wcv h LYS 15 N 0.34 0.47 -0.13 1.25 3.64 -1.25 -1.88 116.57 119.02 2wcv h LYS 15 Ca 0.10 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2wcv h LYS 15 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2wcv h LYS 15 CO -0.02 0.31 0.07 0.28 -2.27 0.00 0.00 179.45 177.82 2wcv h VAL 16 N 0.49 1.01 -0.98 2.00 2.07 -0.81 -1.40 116.25 118.62 2wcv h VAL 16 Ca 0.17 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2wcv h VAL 16 Cb 0.02 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2wcv h VAL 16 CO -0.08 0.03 0.62 -0.07 0.02 0.00 0.00 177.57 178.08 2wcv h LEU 17 N 0.15 0.94 -0.58 2.57 3.38 -0.50 -2.07 115.31 119.19 2wcv h LEU 17 Ca 0.05 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2wcv h LEU 17 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2wcv h LEU 17 CO -0.03 0.54 -0.69 0.00 0.09 0.00 0.00 178.44 178.35 2wcv h ALA 18 N 1.50 0.81 0.00 1.53 0.00 -1.01 -3.20 119.26 118.89 2wcv h ALA 18 Ca 0.46 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2wcv h ALA 18 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wcv h ALA 18 CO -0.23 0.82 -0.35 0.93 0.00 0.00 0.00 179.25 180.42 2wcv h GLU 19 N 0.07 0.00 -7.02 0.00 5.08 -0.60 -3.45 114.58 108.66 2wcv h GLU 19 Ca -0.01 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.80 2wcv h GLU 19 Cb 1.23 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.61 2wcv h GLU 19 CO 0.10 0.35 0.67 -1.64 -1.00 0.00 0.00 179.01 177.49 2wcv s MET 20 N -3.26 3.41 0.31 2.33 -1.94 -0.89 -5.02 119.30 114.23 2wcv s MET 20 Ca 0.03 2.36 0.00 0.00 -1.71 0.00 0.00 55.69 56.37 2wcv s MET 20 Cb 0.08 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.46 2wcv s MET 20 CO 0.70 -1.02 0.03 0.41 -0.01 0.00 0.00 175.02 175.13 2wcv n GLY 21 N 0.65 3.71 3.69 -0.03 0.00 -1.26 -5.01 105.19 106.94 2wcv n GLY 21 Ca 0.08 -2.30 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.82 2.51 0.00 1.61 -0.00 -1.26 -1.52 115.22 115.73 2wcv n HIS 22 Ca -0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2wcv n HIS 22 Cb 0.39 -2.67 0.00 0.00 -0.00 0.00 0.00 29.99 27.70 2wcv n HIS 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wcv n GLY 23 N 4.05 3.22 3.74 1.57 0.00 0.48 -4.98 105.19 113.27 2wcv n GLY 23 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.34 5.01 0.03 1.61 1.01 -0.58 -4.61 116.67 118.79 2wcv s ASP 24 Ca 0.00 2.68 0.07 0.00 0.71 0.00 0.00 52.55 56.02 2wcv s ASP 24 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2wcv s ASP 24 CO 0.00 -1.74 -0.22 -1.61 0.21 0.00 0.00 175.17 171.81 2wcv s GLU 25 N -3.12 1.55 -0.00 8.23 2.02 -1.26 -1.04 118.70 125.08 2wcv s GLU 25 Ca 0.76 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.85 2wcv s GLU 25 Cb -0.39 -1.63 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 2wcv s GLU 25 CO 0.43 0.43 -0.10 -1.50 0.02 0.00 0.00 175.26 174.54 2wcv s ILE 26 N -0.73 0.77 -0.12 -1.63 2.07 -0.46 0.69 121.20 121.80 2wcv s ILE 26 Ca 0.08 -0.47 -0.03 0.00 -1.41 0.00 0.00 60.65 58.83 2wcv s ILE 26 Cb -0.09 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 2wcv s ILE 26 CO 0.01 0.18 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.57 2wcv s ILE 27 N -0.30 4.06 -0.35 2.00 1.01 -0.91 -1.26 121.20 125.45 2wcv s ILE 27 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 2wcv s ILE 27 Cb -0.04 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.77 2wcv s ILE 27 CO -0.00 0.55 0.08 -0.36 0.00 0.00 0.00 174.94 175.21 2wcv s PHE 28 N -0.26 3.48 0.38 3.97 0.40 -0.43 0.10 117.98 125.62 2wcv s PHE 28 Ca 0.05 -2.30 0.07 0.00 -0.60 0.00 0.00 56.93 54.16 2wcv s PHE 28 Cb -0.13 -2.68 -0.00 0.00 0.51 0.00 0.00 43.02 40.73 2wcv s PHE 28 CO 0.02 -0.90 0.51 -1.54 0.70 0.00 0.00 175.22 174.02 2wcv s SER 29 N 1.41 5.80 0.81 1.36 1.04 0.18 -1.55 113.70 122.75 2wcv s SER 29 Ca 0.03 -0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.05 2wcv s SER 29 Cb -0.21 -0.94 0.12 0.00 0.10 0.00 0.00 66.02 65.10 2wcv s SER 29 CO -0.04 -0.59 1.14 1.51 0.98 0.00 0.00 173.24 176.24 2wcv s ASP 30 N -4.26 4.09 0.25 7.02 1.47 -1.25 -1.85 116.67 122.14 2wcv s ASP 30 Ca 0.50 0.30 0.19 0.00 1.18 0.00 0.00 52.55 54.72 2wcv s ASP 30 Cb -0.10 -0.67 0.95 0.00 -0.34 0.00 0.00 42.92 42.76 2wcv s ASP 30 CO 0.32 -2.09 1.57 0.00 0.68 0.00 0.00 175.17 175.65 2wcv n ALA 31 N -3.26 1.18 1.01 2.11 0.00 0.13 -2.64 120.51 119.03 2wcv n ALA 31 Ca 0.12 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.81 2wcv n ALA 31 Cb 0.60 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.83 2wcv n ALA 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wcv n HIS 32 N -2.12 0.00 -2.34 0.00 8.25 -1.26 -4.98 115.22 112.78 2wcv n HIS 32 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 2wcv n HIS 32 Cb 0.07 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.23 3.38 -0.82 4.41 5.36 -1.08 -4.91 117.98 122.09 2wcv s PHE 33 Ca 0.24 1.58 -0.08 0.00 -0.96 0.00 0.00 56.93 57.71 2wcv s PHE 33 Cb 0.19 -3.44 -0.17 0.00 -0.34 0.00 0.00 43.02 39.26 2wcv s PHE 33 CO 0.43 -1.06 3.23 -0.35 -1.46 0.00 0.00 175.22 176.01 2wcv n PRO 34 N 1.08 2.82 -0.31 10.12 -0.04 -1.26 -4.72 135.00 142.69 2wcv n PRO 34 Ca -0.01 -1.59 0.14 0.00 -0.04 0.00 0.00 63.50 62.00 2wcv n PRO 34 Cb 0.44 -2.40 0.32 0.00 -0.04 0.00 0.00 33.50 31.81 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 4.10 1.46 0.00 0.55 0.00 -1.94 -2.84 119.26 120.58 2wcv h ALA 35 Ca 0.53 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2wcv h ALA 35 Cb 0.86 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wcv h ALA 35 CO 1.03 -0.35 0.00 0.72 0.00 0.00 0.00 179.25 180.65 2wcv n HIS 36 N -5.04 0.79 1.00 0.00 8.25 -1.26 -3.39 115.22 115.56 2wcv n HIS 36 Ca 0.23 0.25 0.10 0.00 -0.26 0.00 0.00 57.72 58.04 2wcv n HIS 36 Cb 0.67 -0.91 -0.08 0.00 1.12 0.00 0.00 29.99 30.79 2wcv n HIS 36 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2wcv n SER 37 N -2.17 1.04 -0.17 0.41 3.41 -1.07 -4.46 113.62 110.61 2wcv n SER 37 Ca 0.05 -0.98 -0.08 0.00 -0.26 0.00 0.00 58.87 57.59 2wcv n SER 37 Cb 0.36 0.90 0.01 0.00 -0.26 0.00 0.00 64.21 65.22 2wcv n SER 37 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2wcv h MET 38 N 0.19 0.72 0.00 4.33 2.86 -1.59 -3.48 114.93 117.95 2wcv h MET 38 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2wcv h MET 38 Cb 0.52 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2wcv h MET 38 CO 0.00 0.63 0.00 0.41 1.06 0.00 0.00 176.91 179.01 2wcv n GLY 39 N -0.84 3.95 3.77 8.32 0.00 -1.26 -4.28 105.19 114.85 2wcv n GLY 39 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2wcv n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wcv s PRO 40 N 0.00 1.68 0.38 1.61 0.04 -1.26 -4.97 135.00 132.48 2wcv s PRO 40 Ca 0.00 0.67 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 2wcv s PRO 40 Cb 0.00 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 2wcv s PRO 40 CO 0.00 -1.91 1.40 0.00 0.04 0.00 0.00 177.00 176.53 2wcv n GLN 41 N -3.63 2.38 -4.86 4.56 10.64 -1.26 -4.73 117.38 120.48 2wcv n GLN 41 Ca 0.07 0.84 -0.33 0.00 -1.83 0.00 0.00 57.00 55.75 2wcv n GLN 41 Cb 0.56 -2.53 -0.13 0.00 -0.86 0.00 0.00 30.24 27.28 2wcv n GLN 41 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2wcv s VAL 42 N -1.13 3.11 -0.17 -0.39 1.01 -1.26 -1.11 120.40 120.46 2wcv s VAL 42 Ca 0.56 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2wcv s VAL 42 Cb -0.50 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2wcv s VAL 42 CO 0.62 0.58 -0.20 -0.63 0.00 0.00 0.00 175.10 175.47 2wcv s ILE 43 N -0.58 2.05 0.16 2.22 1.01 0.80 -4.95 121.20 121.91 2wcv s ILE 43 Ca 0.08 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 2wcv s ILE 43 Cb -0.11 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 2wcv s ILE 43 CO 0.01 0.54 0.96 -0.13 0.00 0.00 0.00 174.94 176.32 2wcv s ARG 44 N 1.15 4.76 -0.31 2.79 1.81 -1.26 -2.10 118.95 125.78 2wcv s ARG 44 Ca 0.01 1.48 0.18 0.00 -1.72 0.00 0.00 55.73 55.68 2wcv s ARG 44 Cb -0.14 -3.34 0.47 0.00 -0.45 0.00 0.00 34.95 31.50 2wcv s ARG 44 CO -0.10 0.32 1.01 0.00 -0.68 0.00 0.00 175.30 175.86 2wcv n ALA 45 N 2.28 3.38 -1.70 2.13 0.00 0.12 -4.91 120.51 121.81 2wcv n ALA 45 Ca 0.01 -3.14 -0.40 0.00 0.00 0.00 0.00 53.44 49.90 2wcv n ALA 45 Cb 0.48 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.26 2.42 0.00 0.00 8.00 -1.24 -2.32 116.55 123.15 2wcv n ASP 46 Ca 0.12 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2wcv n ASP 46 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 0.84 2.74 3.85 0.44 0.00 -1.26 -4.75 105.19 107.05 2wcv n GLY 47 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 4.10 0.35 0.99 1.43 -0.98 -4.71 118.68 119.86 2wcv s LEU 48 Ca 0.00 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 2wcv s LEU 48 Cb 0.00 -3.96 -0.08 0.00 0.03 0.00 0.00 46.19 42.18 2wcv s LEU 48 CO 0.00 -0.16 0.73 -0.76 0.23 0.00 0.00 176.35 176.38 2wcv s LEU 49 N -2.87 3.98 0.20 1.79 1.02 -1.26 -0.09 118.68 121.44 2wcv s LEU 49 Ca 0.52 1.17 -0.10 0.00 0.02 0.00 0.00 54.13 55.73 2wcv s LEU 49 Cb -0.11 -4.00 0.13 0.00 0.02 0.00 0.00 46.19 42.23 2wcv s LEU 49 CO 0.18 -0.27 1.79 0.58 0.02 0.00 0.00 176.35 178.65 2wcv h VAL 50 N 1.59 1.23 0.00 -1.59 2.07 -1.91 -1.30 116.25 116.34 2wcv h VAL 50 Ca -0.47 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2wcv h VAL 50 Cb 1.18 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2wcv h VAL 50 CO 0.65 0.27 -0.06 0.77 0.02 0.00 0.00 177.57 179.22 2wcv h SER 51 N 1.00 0.00 -0.20 0.57 4.64 -1.93 -0.52 113.55 117.10 2wcv h SER 51 Ca 0.25 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2wcv h SER 51 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2wcv h SER 51 CO -0.03 0.06 -0.12 0.44 -0.87 0.00 0.00 176.83 176.31 2wcv h ASP 52 N 0.00 0.46 0.21 4.97 3.32 -1.63 -2.86 116.42 120.89 2wcv h ASP 52 Ca -0.00 -0.43 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 2wcv h ASP 52 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2wcv h ASP 52 CO 0.01 0.79 -0.52 -0.07 -1.72 0.00 0.00 179.24 177.72 2wcv h LEU 53 N 0.13 0.39 -0.43 1.55 3.38 -1.01 -2.76 115.31 116.56 2wcv h LEU 53 Ca 0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2wcv h LEU 53 Cb 0.62 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2wcv h LEU 53 CO 0.03 0.84 0.07 -0.07 0.09 0.00 0.00 178.44 179.40 2wcv h LEU 54 N 0.27 0.68 -0.95 1.67 3.38 -1.15 -1.71 115.31 117.50 2wcv h LEU 54 Ca 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2wcv h LEU 54 Cb 1.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2wcv h LEU 54 CO 0.09 0.77 0.51 -0.61 0.09 0.00 0.00 178.44 179.29 2wcv h GLN 55 N 0.56 1.25 -0.74 1.13 4.15 -1.49 -1.08 115.11 118.90 2wcv h GLN 55 Ca 0.13 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 2wcv h GLN 55 Cb 0.38 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 2wcv h GLN 55 CO 0.01 0.90 0.26 0.00 -1.93 0.00 0.00 178.83 178.06 2wcv h ALA 56 N 1.30 0.96 0.00 3.38 0.00 -1.18 -3.31 119.26 120.42 2wcv h ALA 56 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wcv h ALA 56 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2wcv h ALA 56 CO -0.05 0.62 -1.38 0.44 0.00 0.00 0.00 179.25 178.88 2wcv n ILE 57 N -4.29 0.59 -0.28 0.00 -5.35 -0.67 -4.45 119.36 104.90 2wcv n ILE 57 Ca 0.06 -0.57 0.15 0.00 -0.27 0.00 0.00 62.75 62.12 2wcv n ILE 57 Cb 0.21 -0.32 0.42 0.00 -1.74 0.00 0.00 39.64 38.21 2wcv n ILE 57 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 2wcv h ILE 58 N 0.00 0.74 0.00 7.28 6.09 -1.28 -0.05 117.51 130.28 2wcv h ILE 58 Ca -0.05 -0.20 -0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2wcv h ILE 58 Cb 1.15 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 38.53 2wcv h ILE 58 CO 0.01 0.11 -0.01 -0.65 -3.07 0.00 0.00 178.15 174.54 2wcv h PRO 59 N 0.60 0.00 0.00 2.19 0.11 -1.78 -2.95 132.00 130.17 2wcv h PRO 59 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2wcv h PRO 59 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wcv h PRO 59 CO -0.24 0.01 -0.97 1.28 -0.21 0.00 0.00 178.00 177.87 2wcv n LEU 60 N -3.11 0.35 -4.20 2.35 4.32 -0.19 -4.94 117.00 111.57 2wcv n LEU 60 Ca -0.01 -0.30 -0.38 0.00 -0.02 0.00 0.00 56.01 55.30 2wcv n LEU 60 Cb 0.20 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.89 2wcv n LEU 60 CO 0.24 0.09 -0.18 0.12 -1.22 0.00 0.00 177.39 176.44 2wcv s PHE 61 N -2.44 3.40 0.09 -1.77 5.36 -0.30 -5.08 117.98 117.25 2wcv s PHE 61 Ca 0.01 -1.89 -0.30 0.00 -0.96 0.00 0.00 56.93 53.78 2wcv s PHE 61 Cb 0.09 -2.84 -0.06 0.00 -0.34 0.00 0.00 43.02 39.86 2wcv s PHE 61 CO 0.51 -0.88 1.15 -2.00 -1.46 0.00 0.00 175.22 172.55 2wcv s GLU 62 N 1.29 4.49 0.38 10.12 2.56 -1.26 -4.80 118.70 131.47 2wcv s GLU 62 Ca 0.03 1.73 -0.20 0.00 0.00 0.00 0.00 54.97 56.54 2wcv s GLU 62 Cb -0.22 -3.33 -0.10 0.00 2.00 0.00 0.00 34.13 32.47 2wcv s GLU 62 CO -0.01 -0.15 0.87 -0.51 -0.56 0.00 0.00 175.26 174.91 2wcv s LEU 63 N 0.63 4.04 0.29 2.70 1.43 -1.26 -0.83 118.68 125.67 2wcv s LEU 63 Ca 0.55 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 54.92 2wcv s LEU 63 Cb -0.29 -4.30 -0.10 0.00 0.03 0.00 0.00 46.19 41.53 2wcv s LEU 63 CO 0.31 -0.26 1.35 -0.62 0.23 0.00 0.00 176.35 177.36 2wcv s ASP 64 N -2.13 6.75 0.00 2.29 -1.08 0.34 -3.89 116.67 118.95 2wcv s ASP 64 Ca 0.57 2.65 0.08 0.00 -0.52 0.00 0.00 52.55 55.33 2wcv s ASP 64 Cb -0.11 -2.64 0.12 0.00 -1.46 0.00 0.00 42.92 38.83 2wcv s ASP 64 CO 0.16 -0.59 0.90 -1.54 0.52 0.00 0.00 175.17 174.61 2wcv n SER 65 N 1.52 2.00 -0.43 -0.34 3.41 -1.26 -4.19 113.62 114.33 2wcv n SER 65 Ca 0.03 -1.55 0.12 0.00 -0.26 0.00 0.00 58.87 57.21 2wcv n SER 65 Cb 0.41 -0.05 0.26 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.39 0.00 -3.56 7.33 4.02 -1.26 -4.96 117.16 119.13 2wcv n TYR 66 Ca 0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.89 2wcv n TYR 66 Cb 0.26 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 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 -2.36 -1.96 -0.27 -0.72 0.00 -1.26 -5.10 121.76 110.09 2wcv s ALA 67 Ca 0.25 1.35 -0.34 0.00 0.00 0.00 0.00 51.96 53.22 2wcv s ALA 67 Cb 0.19 0.07 -0.11 0.00 0.00 0.00 0.00 23.12 23.27 2wcv s ALA 67 CO 0.48 -0.62 2.09 -0.35 0.00 0.00 0.00 175.76 177.37 2wcv n PRO 68 N -0.11 1.43 0.00 0.00 -0.04 -1.26 -4.71 135.00 130.31 2wcv n PRO 68 Ca -0.04 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 2wcv n PRO 68 Cb 0.60 -2.58 0.43 0.00 -0.04 0.00 0.00 33.50 31.91 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 7.70 0.03 -4.12 0.54 -0.04 -1.26 -4.82 135.00 133.03 2wcv n PRO 69 Ca 0.34 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.50 2wcv n PRO 69 Cb 0.26 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.98 1.59 -0.04 1.53 1.43 -1.26 -1.09 118.68 117.87 2wcv s LEU 70 Ca 0.13 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2wcv s LEU 70 Cb 0.18 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.35 2wcv s LEU 70 CO 0.62 -0.05 -0.03 -0.69 0.23 0.00 0.00 176.35 176.42 2wcv s VAL 71 N 1.39 0.43 0.51 -1.59 1.01 -0.54 -1.55 120.40 120.06 2wcv s VAL 71 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2wcv s VAL 71 Cb -0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 2wcv s VAL 71 CO -0.08 0.20 0.01 -0.04 0.00 0.00 0.00 175.10 175.19 2wcv s MET 72 N 0.89 2.19 -0.16 2.72 -1.94 0.17 0.72 119.30 123.90 2wcv s MET 72 Ca -0.11 -2.41 -0.11 0.00 -1.71 0.00 0.00 55.69 51.35 2wcv s MET 72 Cb -0.14 -1.44 -0.05 0.00 2.01 0.00 0.00 34.83 35.21 2wcv s MET 72 CO -0.00 -0.40 0.20 1.41 -0.01 0.00 0.00 175.02 176.23 2wcv s MET 73 N -3.87 4.08 0.60 2.03 1.75 -1.25 -1.51 119.30 121.12 2wcv s MET 73 Ca 0.05 -0.06 -0.17 0.00 -1.25 0.00 0.00 55.69 54.26 2wcv s MET 73 Cb 0.01 -3.37 -0.03 0.00 2.84 0.00 0.00 34.83 34.27 2wcv s MET 73 CO 0.03 0.37 1.11 0.00 -0.65 0.00 0.00 175.02 175.88 2wcv s ALA 74 N 0.10 2.61 0.30 4.11 0.00 0.10 -4.80 121.76 124.19 2wcv s ALA 74 Ca 0.13 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2wcv s ALA 74 Cb -0.12 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2wcv s ALA 74 CO 0.02 -0.97 1.12 0.00 0.00 0.00 0.00 175.76 175.93 2wcv s ALA 75 N -2.11 3.37 0.49 0.00 0.00 -1.26 -4.46 121.76 117.80 2wcv s ALA 75 Ca 0.69 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 2wcv s ALA 75 Cb -0.21 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 2wcv s ALA 75 CO 0.34 -0.23 1.02 0.08 0.00 0.00 0.00 175.76 176.96 2wcv s VAL 76 N -1.22 4.00 0.00 0.00 1.01 -1.26 -4.88 120.40 118.06 2wcv s VAL 76 Ca 0.47 1.16 -0.38 0.00 0.00 0.00 0.00 61.98 63.24 2wcv s VAL 76 Cb -0.32 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.40 2wcv s VAL 76 CO 0.41 -0.35 1.41 -0.62 0.00 0.00 0.00 175.10 175.95 2wcv n GLU 77 N -1.14 1.07 0.00 2.72 1.02 -1.26 0.08 120.64 123.12 2wcv n GLU 77 Ca 0.08 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2wcv n GLU 77 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2wcv n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wcv n GLY 78 N 2.82 2.62 3.96 0.62 0.00 -1.26 -5.05 105.19 108.88 2wcv n GLY 78 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2wcv n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wcv s ASP 79 N -0.09 5.42 -0.14 1.61 1.01 0.11 -5.14 116.67 119.46 2wcv s ASP 79 Ca 0.00 -0.55 -0.09 0.00 0.71 0.00 0.00 52.55 52.62 2wcv s ASP 79 Cb 0.00 -0.63 0.05 0.00 1.01 0.00 0.00 42.92 43.34 2wcv s ASP 79 CO 0.00 -0.71 0.34 -0.89 0.21 0.00 0.00 175.17 174.12 2wcv s THR 80 N -2.40 -0.02 0.52 -1.27 2.01 -1.26 -4.66 115.64 108.56 2wcv s THR 80 Ca 0.52 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.38 2wcv s THR 80 Cb -0.07 -0.50 -0.06 0.00 0.01 0.00 0.00 72.50 71.88 2wcv s THR 80 CO 0.31 0.03 1.20 -0.76 -0.69 0.00 0.00 174.62 174.71 2wcv s LEU 81 N 0.93 3.86 -0.52 4.42 1.43 -1.26 -4.99 118.68 122.54 2wcv s LEU 81 Ca -0.06 2.37 -0.19 0.00 -1.03 0.00 0.00 54.13 55.22 2wcv s LEU 81 Cb -0.07 -4.39 0.07 0.00 0.03 0.00 0.00 46.19 41.83 2wcv s LEU 81 CO -0.07 -1.23 0.62 -0.62 0.23 0.00 0.00 176.35 175.28 2wcv s ASP 82 N -1.43 6.21 0.64 2.29 -1.08 -1.26 -4.94 116.67 117.10 2wcv s ASP 82 Ca 0.70 -1.09 0.27 0.00 -0.52 0.00 0.00 52.55 51.91 2wcv s ASP 82 Cb -0.30 -2.28 1.45 0.00 -1.46 0.00 0.00 42.92 40.33 2wcv s ASP 82 CO 0.35 -0.92 1.84 1.55 0.52 0.00 0.00 175.17 178.50 2wcv h PRO 83 N 9.02 0.00 0.00 4.34 0.13 -2.01 -0.89 132.00 142.59 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 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2wcv h PRO 83 CO 0.99 0.00 -0.35 1.05 -0.23 0.00 0.00 178.00 179.46 2wcv h GLU 84 N 0.00 0.00 0.04 0.86 -0.00 -1.99 -1.42 114.58 112.08 2wcv h GLU 84 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.44 2wcv h GLU 84 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.74 2wcv h GLU 84 CO -0.00 0.35 -0.02 0.28 -0.00 0.00 0.00 179.01 179.62 2wcv h VAL 85 N 0.00 1.10 -0.55 -1.06 2.07 -1.58 -1.30 116.25 114.93 2wcv h VAL 85 Ca -0.00 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2wcv h VAL 85 Cb 0.72 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2wcv h VAL 85 CO 0.05 0.12 0.28 -0.08 0.02 0.00 0.00 177.57 177.95 2wcv h GLU 86 N -0.26 0.77 0.48 1.57 4.81 -1.59 -0.53 114.58 119.82 2wcv h GLU 86 Ca -0.01 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2wcv h GLU 86 Cb 0.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2wcv h GLU 86 CO 0.01 0.58 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.55 2wcv h ARG 87 N 0.77 -0.62 -0.47 1.92 2.43 -0.98 0.47 114.38 117.90 2wcv h ARG 87 Ca 0.20 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2wcv h ARG 87 Cb 0.06 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2wcv h ARG 87 CO -0.03 -0.39 0.10 0.00 -1.51 0.00 0.00 179.97 178.13 2wcv h ARG 88 N -0.68 0.23 -0.21 0.20 3.08 -0.88 0.39 114.38 116.50 2wcv h ARG 88 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wcv h ARG 88 Cb 0.51 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2wcv h ARG 88 CO 0.11 0.15 0.12 1.88 -1.07 0.00 0.00 179.97 181.16 2wcv h TYR 89 N 0.23 0.29 -0.91 3.04 -1.99 -0.87 -1.82 116.97 114.94 2wcv h TYR 89 Ca 0.23 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.01 2wcv h TYR 89 Cb 0.30 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.88 2wcv h TYR 89 CO -0.22 0.24 0.58 0.00 -0.00 0.00 0.00 178.16 178.77 2wcv h ARG 90 N 0.25 1.04 -0.42 4.88 3.08 0.63 -0.22 114.38 123.62 2wcv h ARG 90 Ca 0.08 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 2wcv h ARG 90 Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2wcv h ARG 90 CO -0.01 0.69 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.36 2wcv h ASN 91 N 1.08 0.98 -0.54 7.04 2.35 -0.72 -0.61 115.58 125.16 2wcv h ASN 91 Ca 0.39 -0.41 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2wcv h ASN 91 Cb 0.12 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2wcv h ASN 91 CO -0.16 1.20 0.09 0.00 -1.65 0.00 0.00 177.43 176.91 2wcv h ALA 92 N 0.85 0.72 0.00 -0.83 0.00 -0.91 -2.72 119.26 116.37 2wcv h ALA 92 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wcv h ALA 92 Cb 0.89 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wcv h ALA 92 CO 0.08 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.07 2wcv n LEU 93 N -4.37 0.71 -1.49 0.00 4.77 -0.13 -3.17 117.00 113.33 2wcv n LEU 93 Ca 0.02 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 56.69 2wcv n LEU 93 Cb 0.26 -0.44 0.35 0.00 -2.33 0.00 0.00 43.42 41.26 2wcv n LEU 93 CO 0.41 -0.35 0.81 -1.20 -1.33 0.00 0.00 177.39 175.73 2wcv n SER 94 N -2.22 4.97 0.11 -1.43 7.64 -0.25 -4.32 113.62 118.12 2wcv n SER 94 Ca 0.04 -2.93 0.10 0.00 1.01 0.00 0.00 58.87 57.09 2wcv n SER 94 Cb 0.33 -0.62 0.45 0.00 -1.01 0.00 0.00 64.21 63.36 2wcv n SER 94 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wcv n LEU 95 N 0.22 0.50 0.00 -3.43 4.77 -1.17 -3.52 117.00 114.36 2wcv n LEU 95 Ca 0.25 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 2wcv n LEU 95 Cb 1.06 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2wcv n LEU 95 CO 0.25 -0.60 -0.39 0.00 -1.33 0.00 0.00 177.39 175.33 2wcv n GLN 96 N -2.08 1.72 -3.58 3.23 6.02 -1.26 -5.10 117.38 116.33 2wcv n GLN 96 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 2wcv n GLN 96 Cb 0.16 -0.89 -0.02 0.00 1.02 0.00 0.00 30.24 30.51 2wcv n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wcv s ALA 97 N -1.59 -2.01 0.14 -1.58 0.00 -1.23 -5.12 121.76 110.37 2wcv s ALA 97 Ca 0.00 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 2wcv s ALA 97 Cb 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.90 2wcv s ALA 97 CO 0.00 -0.58 1.83 -1.25 0.00 0.00 0.00 175.76 175.76 2wcv s PRO 98 N -2.42 4.13 0.51 0.00 0.04 -1.26 -4.26 135.00 131.74 2wcv s PRO 98 Ca 0.08 2.62 -0.19 0.00 0.04 0.00 0.00 61.00 63.54 2wcv s PRO 98 Cb -0.01 -3.51 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 2wcv s PRO 98 CO -0.05 -0.84 1.03 0.00 0.04 0.00 0.00 177.00 177.18 2wcv n PRO 100 N -1.20 -1.22 -1.85 0.00 -0.02 -1.26 -4.88 135.00 124.56 2wcv n PRO 100 Ca 0.09 -0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 60.85 2wcv n PRO 100 Cb 0.53 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 2wcv n PRO 100 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wcv s ASP 101 N -2.25 6.07 -0.27 2.55 1.11 -1.26 -4.95 116.67 117.67 2wcv s ASP 101 Ca 0.63 2.90 -0.18 0.00 0.18 0.00 0.00 52.55 56.07 2wcv s ASP 101 Cb -0.21 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.10 2wcv s ASP 101 CO 0.64 -1.04 0.54 -0.63 1.18 0.00 0.00 175.17 175.86 2wcv s ILE 102 N -1.19 5.04 0.14 0.77 1.01 -1.26 -4.62 121.20 121.09 2wcv s ILE 102 Ca 0.58 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 2wcv s ILE 102 Cb -0.43 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 2wcv s ILE 102 CO 0.56 0.04 0.51 -0.63 0.00 0.00 0.00 174.94 175.42 2wcv s ILE 103 N 2.37 4.94 -0.13 2.92 1.01 -0.60 -4.92 121.20 126.79 2wcv s ILE 103 Ca 0.22 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.56 2wcv s ILE 103 Cb -0.16 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2wcv s ILE 103 CO 0.10 0.21 -0.21 -0.13 0.00 0.00 0.00 174.94 174.90 2wcv s ARG 104 N -2.07 3.06 0.30 2.79 0.52 -1.26 0.43 118.95 122.72 2wcv s ARG 104 Ca 0.38 -0.84 0.11 0.00 -0.52 0.00 0.00 55.73 54.85 2wcv s ARG 104 Cb -0.14 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 32.85 2wcv s ARG 104 CO 0.19 0.05 -0.15 0.96 0.02 0.00 0.00 175.30 176.37 2wcv s ILE 105 N 0.67 2.49 0.61 1.52 -4.36 -0.57 -4.69 121.20 116.87 2wcv s ILE 105 Ca -0.10 -2.30 -0.19 0.00 -0.26 0.00 0.00 60.65 57.80 2wcv s ILE 105 Cb -0.16 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 2wcv s ILE 105 CO 0.01 -0.34 1.24 -3.20 0.24 0.00 0.00 174.94 172.90 2wcv n ASN 106 N -0.70 1.98 -0.30 4.36 5.15 -1.26 0.01 115.26 124.49 2wcv n ASN 106 Ca -0.05 0.87 -0.07 0.00 -0.60 0.00 0.00 54.58 54.73 2wcv n ASN 106 Cb 0.61 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.30 2wcv n ASN 106 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2wcv h ARG 107 N 0.79 -0.12 -0.02 1.20 2.43 -1.94 0.64 114.38 117.36 2wcv h ARG 107 Ca -0.50 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 2wcv h ARG 107 Cb 1.33 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2wcv h ARG 107 CO 0.54 -0.08 -0.36 0.74 -1.51 0.00 0.00 179.97 179.30 2wcv h PHE 108 N -0.12 0.04 -0.41 2.20 0.04 -1.98 -1.61 116.94 115.11 2wcv h PHE 108 Ca 0.22 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.86 2wcv h PHE 108 Cb 0.54 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2wcv h PHE 108 CO -0.83 0.39 -0.22 0.00 -0.60 0.00 0.00 178.31 177.06 2wcv h ALA 109 N 1.61 0.85 -0.42 2.45 0.00 -1.42 -1.53 119.26 120.79 2wcv h ALA 109 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2wcv h ALA 109 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2wcv h ALA 109 CO 0.05 0.64 0.17 0.35 0.00 0.00 0.00 179.25 180.46 2wcv h PHE 110 N 0.71 0.64 -0.38 0.00 3.57 -0.33 -2.00 116.94 119.14 2wcv h PHE 110 Ca 0.10 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2wcv h PHE 110 Cb 0.74 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2wcv h PHE 110 CO 0.04 0.55 0.23 1.88 -2.23 0.00 0.00 178.31 178.78 2wcv h TYR 111 N 0.53 0.50 -0.87 0.41 0.99 -1.11 -0.72 116.97 116.71 2wcv h TYR 111 Ca 0.14 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.99 2wcv h TYR 111 Cb 0.18 -0.16 -0.08 0.00 1.00 0.00 0.00 36.73 37.67 2wcv h TYR 111 CO -0.00 0.35 0.49 1.49 -0.00 0.00 0.00 178.16 180.50 2wcv h GLU 112 N 0.49 0.75 -0.11 4.88 4.57 -1.00 -0.38 114.58 123.78 2wcv h GLU 112 Ca 0.13 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.13 2wcv h GLU 112 Cb 0.00 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2wcv h GLU 112 CO -0.03 0.50 -0.55 -0.09 -1.18 0.00 0.00 179.01 177.66 2wcv h ARG 113 N 0.77 0.33 -0.36 1.92 2.43 -0.89 -2.99 114.38 115.60 2wcv h ARG 113 Ca 0.44 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2wcv h ARG 113 Cb 0.49 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2wcv h ARG 113 CO -0.29 0.79 -0.06 0.00 -1.51 0.00 0.00 179.97 178.90 2wcv h ALA 114 N 1.17 1.23 -0.02 2.80 0.00 0.40 -2.01 119.26 122.83 2wcv h ALA 114 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2wcv h ALA 114 Cb 1.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wcv h ALA 114 CO 0.09 0.50 0.02 1.96 0.00 0.00 0.00 179.25 181.83 2wcv h GLN 115 N 0.55 0.00 -0.43 0.00 4.20 -1.08 -1.15 115.11 117.20 2wcv h GLN 115 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2wcv h GLN 115 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2wcv h GLN 115 CO 0.02 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.81 2wcv n LYS 116 N -4.01 2.51 -1.30 1.46 5.02 -0.79 -4.41 118.16 116.64 2wcv n LYS 116 Ca -0.02 -2.19 -0.30 0.00 -2.02 0.00 0.00 58.31 53.78 2wcv n LYS 116 Cb 0.11 -1.40 0.11 0.00 -0.02 0.00 0.00 35.03 33.83 2wcv n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wcv s ALA 117 N -1.10 1.88 0.14 7.82 0.00 -0.43 -4.87 121.76 125.21 2wcv s ALA 117 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2wcv s ALA 117 Cb 0.18 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 2wcv s ALA 117 CO 0.24 -2.06 1.32 0.35 0.00 0.00 0.00 175.76 175.61 2wcv h PHE 118 N -1.33 0.44 -2.32 0.00 3.04 -0.06 -3.43 116.94 113.27 2wcv h PHE 118 Ca -0.47 -0.25 0.16 0.00 3.98 0.00 0.00 57.97 61.39 2wcv h PHE 118 Cb 1.27 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 39.63 2wcv h PHE 118 CO 0.47 1.08 0.49 0.00 -2.02 0.00 0.00 178.31 178.33 2wcv s ALA 119 N -3.17 -1.70 -0.05 2.41 0.00 -1.24 -4.35 121.76 113.65 2wcv s ALA 119 Ca -0.04 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 2wcv s ALA 119 Cb 0.09 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2wcv s ALA 119 CO 0.85 -0.96 -0.01 0.42 0.00 0.00 0.00 175.76 176.05 2wcv s ILE 120 N -3.24 0.36 -0.36 0.00 1.01 -0.27 -2.15 121.20 116.55 2wcv s ILE 120 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2wcv s ILE 120 Cb -0.01 -0.47 0.06 0.00 0.01 0.00 0.00 42.46 42.05 2wcv s ILE 120 CO -0.00 0.22 0.15 -0.69 0.00 0.00 0.00 174.94 174.61 2wcv s VAL 121 N 1.44 3.75 -0.23 2.92 1.01 0.12 -0.14 120.40 129.26 2wcv s VAL 121 Ca -0.03 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.43 2wcv s VAL 121 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2wcv s VAL 121 CO -0.03 -0.32 0.45 -0.51 0.00 0.00 0.00 175.10 174.69 2wcv s ILE 122 N 1.36 5.14 0.04 2.22 2.07 -0.89 -0.65 121.20 130.48 2wcv s ILE 122 Ca 0.00 0.78 0.01 0.00 -1.41 0.00 0.00 60.65 60.03 2wcv s ILE 122 Cb -0.21 -3.77 0.01 0.00 0.13 0.00 0.00 42.46 38.61 2wcv s ILE 122 CO 0.01 0.17 0.04 0.35 -1.91 0.00 0.00 174.94 173.60 2wcv n THR 123 N 4.78 0.00 0.19 4.00 -2.24 -0.77 0.14 114.28 120.38 2wcv n THR 123 Ca -0.06 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.66 2wcv n THR 123 Cb 0.50 -0.74 0.25 0.00 -2.10 0.00 0.00 70.33 68.24 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 4.53 1.67 3.63 3.38 0.00 0.87 -2.73 105.19 116.54 2wcv n GLY 124 Ca 0.01 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2wcv n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wcv s GLU 125 N -1.39 3.70 0.00 1.61 0.41 -1.23 -4.70 118.70 117.11 2wcv s GLU 125 Ca 0.37 2.14 0.24 0.00 -0.41 0.00 0.00 54.97 57.31 2wcv s GLU 125 Cb 0.20 -4.20 0.22 0.00 -1.78 0.00 0.00 34.13 28.58 2wcv s GLU 125 CO 0.23 -1.44 1.24 0.54 -0.49 0.00 0.00 175.26 175.34 2wcv n ARG 126 N 7.98 1.23 -2.45 1.61 1.74 -1.26 0.17 116.66 125.68 2wcv n ARG 126 Ca 0.23 -0.96 -0.36 0.00 -0.77 0.00 0.00 57.85 55.99 2wcv n ARG 126 Cb 0.44 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 2wcv n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wcv s ALA 127 N -2.43 2.99 0.58 7.54 0.00 -1.26 -4.95 121.76 124.24 2wcv s ALA 127 Ca 0.21 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 2wcv s ALA 127 Cb 0.19 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2wcv s ALA 127 CO 0.53 -0.38 1.12 0.15 0.00 0.00 0.00 175.76 177.18 2wcv s LYS 128 N -2.74 3.17 -1.41 0.00 1.02 -1.26 -3.47 119.74 115.05 2wcv s LYS 128 Ca 0.62 1.51 -0.08 0.00 0.02 0.00 0.00 55.97 58.03 2wcv s LYS 128 Cb -0.23 -1.99 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2wcv s LYS 128 CO 0.28 -0.97 0.98 0.66 -0.92 0.00 0.00 175.35 175.38 2wcv n TYR 129 N -1.71 -2.38 -0.29 3.18 4.02 -1.26 -4.76 117.16 113.95 2wcv n TYR 129 Ca 0.11 0.93 0.08 0.00 -0.01 0.00 0.00 57.90 59.00 2wcv n TYR 129 Cb 0.51 -4.46 0.31 0.00 -0.02 0.00 0.00 39.34 35.68 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 -1.70 2.35 3.78 2.72 0.00 -1.23 -4.79 105.19 106.32 2wcv n GLY 130 Ca -0.07 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.80 7.36 -0.12 1.61 0.01 -1.26 -3.97 114.94 117.77 2wcv s ASN 131 Ca 0.43 1.63 -0.09 0.00 -0.71 0.00 0.00 52.86 54.12 2wcv s ASN 131 Cb 0.29 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.49 2wcv s ASN 131 CO 0.20 0.20 0.31 -0.51 -1.51 0.00 0.00 177.10 175.78 2wcv s ILE 132 N -1.18 -0.02 -0.08 0.60 2.07 -0.60 -3.92 121.20 118.07 2wcv s ILE 132 Ca 0.36 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.66 2wcv s ILE 132 Cb -0.23 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 2wcv s ILE 132 CO 0.26 0.02 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.03 2wcv s LEU 133 N 0.71 3.23 -0.04 8.50 0.20 0.22 -1.32 118.68 130.18 2wcv s LEU 133 Ca -0.04 -0.02 0.07 0.00 0.69 0.00 0.00 54.13 54.83 2wcv s LEU 133 Cb -0.06 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 2wcv s LEU 133 CO -0.05 0.34 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.35 2wcv s LEU 134 N -0.67 2.14 -0.16 -0.68 1.02 -0.39 -1.47 118.68 118.48 2wcv s LEU 134 Ca 0.10 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 2wcv s LEU 134 Cb -0.11 -1.38 -0.02 0.00 0.02 0.00 0.00 46.19 44.69 2wcv s LEU 134 CO 0.02 0.29 -0.06 -0.75 0.02 0.00 0.00 176.35 175.86 2wcv s LYS 135 N -0.41 3.54 0.37 1.70 2.20 -0.25 -1.35 119.74 125.55 2wcv s LYS 135 Ca 0.04 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 54.82 2wcv s LYS 135 Cb -0.12 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.24 2wcv s LYS 135 CO 0.01 0.15 0.95 0.21 -0.36 0.00 0.00 175.35 176.31 2wcv s LYS 136 N 0.57 4.44 0.00 4.03 2.20 -0.20 -0.50 119.74 130.27 2wcv s LYS 136 Ca -0.04 1.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 2wcv s LYS 136 Cb -0.15 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2wcv s LYS 136 CO 0.03 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 2wcv n GLY 137 N 0.08 3.71 3.61 5.54 0.00 -0.01 -0.39 105.19 117.73 2wcv n GLY 137 Ca 0.04 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.53 3.98 0.02 1.61 1.01 -1.26 -4.35 120.40 120.88 2wcv s VAL 138 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 2wcv s VAL 138 Cb 0.00 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2wcv s VAL 138 CO 0.00 -0.62 1.84 -0.89 0.00 0.00 0.00 175.10 175.43 2wcv s THR 139 N 5.00 3.12 -2.00 3.92 2.01 -1.26 -4.96 115.64 121.47 2wcv s THR 139 Ca 0.60 0.26 0.18 0.00 0.31 0.00 0.00 61.69 63.03 2wcv s THR 139 Cb -0.16 -3.17 0.51 0.00 0.01 0.00 0.00 72.50 69.70 2wcv s THR 139 CO 0.29 -0.02 1.46 -0.81 -0.69 0.00 0.00 174.62 174.85