#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 0.94 0.31 3.17 1.43 -1.26 -5.12 118.68 118.15 2wcv s LEU 2 Ca 0.00 -1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 51.71 2wcv s LEU 2 Cb 0.00 1.00 -0.06 0.00 0.03 0.00 0.00 46.19 47.16 2wcv s LEU 2 CO 0.00 -1.03 0.63 -0.54 0.23 0.00 0.00 176.35 175.63 2wcv s LYS 3 N -3.85 3.73 0.00 1.70 1.02 -1.26 -4.32 119.74 116.76 2wcv s LYS 3 Ca 0.33 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2wcv s LYS 3 Cb 0.03 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 2wcv s LYS 3 CO 0.14 0.16 0.00 0.25 -0.92 0.00 0.00 175.35 174.98 2wcv n THR 4 N -0.85 0.00 -2.72 2.17 -2.24 -1.26 -4.91 114.28 104.48 2wcv n THR 4 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2wcv n THR 4 Cb 0.54 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 4.81 0.07 2.28 1.01 -1.26 -4.98 121.20 123.13 2wcv s ILE 5 Ca 0.00 2.06 -0.34 0.00 0.00 0.00 0.00 60.65 62.36 2wcv s ILE 5 Cb 0.00 -4.32 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 2wcv s ILE 5 CO 0.00 0.19 1.68 -0.24 0.00 0.00 0.00 174.94 176.56 2wcv n SER 6 N 3.71 3.16 0.00 3.58 2.88 -1.26 -4.50 113.62 121.19 2wcv n SER 6 Ca 0.05 1.05 0.07 0.00 -1.33 0.00 0.00 58.87 58.71 2wcv n SER 6 Cb 0.51 -1.40 0.36 0.00 -0.75 0.00 0.00 64.21 62.93 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 4.53 0.25 0.10 -1.46 -0.04 -1.26 -1.93 135.00 135.18 2wcv n PRO 7 Ca 0.19 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 2wcv n PRO 7 Cb 0.29 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.69 2wcv n PRO 7 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wcv n LEU 8 N -1.22 0.68 -4.57 1.53 4.77 -1.26 -4.64 117.00 112.30 2wcv n LEU 8 Ca 0.07 0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 56.22 2wcv n LEU 8 Cb 0.09 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2wcv n LEU 8 CO 0.10 -0.25 0.48 -0.63 -1.33 0.00 0.00 177.39 175.76 2wcv s ILE 9 N -3.14 4.78 0.66 -0.08 1.01 -0.81 -5.01 121.20 118.61 2wcv s ILE 9 Ca 0.09 0.62 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 2wcv s ILE 9 Cb 0.12 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2wcv s ILE 9 CO 0.53 -0.46 1.17 -0.94 0.00 0.00 0.00 174.94 175.25 2wcv s SER 10 N 1.89 4.80 0.29 3.58 1.04 -1.26 -4.76 113.70 119.28 2wcv s SER 10 Ca 0.28 2.25 0.03 0.00 0.48 0.00 0.00 55.95 58.98 2wcv s SER 10 Cb -0.14 -2.58 0.62 0.00 0.10 0.00 0.00 66.02 64.03 2wcv s SER 10 CO 0.17 -1.85 1.81 -0.65 0.98 0.00 0.00 173.24 173.70 2wcv h PRO 11 N 0.18 0.87 -0.37 4.02 0.11 -1.96 -0.03 132.00 134.82 2wcv h PRO 11 Ca -0.48 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 2wcv h PRO 11 Cb 1.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2wcv h PRO 11 CO 0.53 0.57 -0.23 1.49 -0.21 0.00 0.00 178.00 180.15 2wcv h GLU 12 N 0.89 0.73 -0.32 1.05 4.57 -2.00 -1.84 114.58 117.67 2wcv h GLU 12 Ca 0.53 -0.29 -0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2wcv h GLU 12 Cb 0.65 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2wcv h GLU 12 CO -0.31 0.90 -0.33 1.25 -1.18 0.00 0.00 179.01 179.33 2wcv h LEU 13 N 0.64 0.72 -0.27 1.64 5.85 -1.57 -1.12 115.31 121.21 2wcv h LEU 13 Ca 0.09 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2wcv h LEU 13 Cb 0.73 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2wcv h LEU 13 CO 0.06 0.99 0.13 0.25 -0.34 0.00 0.00 178.44 179.53 2wcv h LEU 14 N 0.59 0.35 -0.27 2.25 5.85 -0.79 0.29 115.31 123.58 2wcv h LEU 14 Ca 0.06 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2wcv h LEU 14 Cb 0.84 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2wcv h LEU 14 CO 0.07 0.38 0.06 0.50 -0.34 0.00 0.00 178.44 179.11 2wcv h LYS 15 N 0.30 0.16 -0.50 1.25 3.64 -1.16 -1.52 116.57 118.73 2wcv h LYS 15 Ca 0.09 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2wcv h LYS 15 Cb 0.12 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2wcv h LYS 15 CO -0.01 0.10 0.27 0.28 -2.27 0.00 0.00 179.45 177.82 2wcv h VAL 16 N 0.16 0.98 -0.73 2.00 2.07 -0.84 -0.82 116.25 119.08 2wcv h VAL 16 Ca 0.13 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2wcv h VAL 16 Cb 0.13 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2wcv h VAL 16 CO -0.16 0.10 0.38 -0.07 0.02 0.00 0.00 177.57 177.83 2wcv h LEU 17 N 0.52 0.92 -0.94 2.57 3.38 -0.54 -2.08 115.31 119.15 2wcv h LEU 17 Ca 0.21 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2wcv h LEU 17 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2wcv h LEU 17 CO -0.14 0.77 -0.45 0.00 0.09 0.00 0.00 178.44 178.71 2wcv h ALA 18 N 1.19 1.11 0.00 1.53 0.00 -0.86 -3.02 119.26 119.21 2wcv h ALA 18 Ca 0.25 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2wcv h ALA 18 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2wcv h ALA 18 CO -0.04 0.61 -0.61 0.93 0.00 0.00 0.00 179.25 180.14 2wcv h GLU 19 N 0.14 0.00 -6.84 0.00 5.08 -0.87 -3.45 114.58 108.64 2wcv h GLU 19 Ca 0.01 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.82 2wcv h GLU 19 Cb 0.86 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.21 2wcv h GLU 19 CO 0.07 0.61 0.70 -1.33 -1.00 0.00 0.00 179.01 178.06 2wcv n MET 20 N -3.57 2.48 -3.13 2.33 2.81 -0.81 -5.01 117.12 112.22 2wcv n MET 20 Ca -0.00 0.87 -0.17 0.00 -1.81 0.00 0.00 57.70 56.59 2wcv n MET 20 Cb 0.66 -2.56 -0.01 0.00 -0.71 0.00 0.00 33.22 30.60 2wcv n MET 20 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wcv n GLY 21 N 0.94 3.11 3.63 3.03 0.00 -1.26 -5.00 105.19 109.64 2wcv n GLY 21 Ca 0.04 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2wcv n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wcv s HIS 22 N -1.80 1.28 0.00 1.61 2.46 -1.26 -1.55 115.29 116.03 2wcv s HIS 22 Ca 0.14 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.71 2wcv s HIS 22 Cb -0.01 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 2wcv s HIS 22 CO 0.09 -4.76 0.00 0.41 -2.47 0.00 0.00 174.74 168.01 2wcv n GLY 23 N 5.09 3.12 3.77 1.59 0.00 0.08 -5.01 105.19 113.83 2wcv n GLY 23 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.28 6.57 -0.04 1.61 1.01 -0.59 -4.65 116.67 119.29 2wcv s ASP 24 Ca 0.00 2.84 0.04 0.00 0.71 0.00 0.00 52.55 56.14 2wcv s ASP 24 Cb 0.00 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2wcv s ASP 24 CO 0.00 -0.69 -0.15 -1.61 0.21 0.00 0.00 175.17 172.92 2wcv s GLU 25 N -1.95 2.46 -0.01 8.23 2.02 -1.26 -1.00 118.70 127.19 2wcv s GLU 25 Ca 0.51 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.82 2wcv s GLU 25 Cb -0.42 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 2wcv s GLU 25 CO 0.57 0.62 -0.13 -1.50 0.02 0.00 0.00 175.26 174.83 2wcv s ILE 26 N -0.73 1.04 -0.10 -1.63 2.07 -0.20 0.04 121.20 121.69 2wcv s ILE 26 Ca 0.11 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 58.80 2wcv s ILE 26 Cb -0.11 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2wcv s ILE 26 CO 0.00 0.29 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.58 2wcv s ILE 27 N -0.29 3.22 -0.36 2.00 1.01 -0.78 -0.84 121.20 125.17 2wcv s ILE 27 Ca 0.05 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2wcv s ILE 27 Cb -0.05 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2wcv s ILE 27 CO -0.00 0.55 0.15 -0.36 0.00 0.00 0.00 174.94 175.27 2wcv s PHE 28 N -0.07 3.26 0.39 3.97 0.40 -0.09 -0.12 117.98 125.72 2wcv s PHE 28 Ca -0.02 -1.28 0.05 0.00 -0.60 0.00 0.00 56.93 55.09 2wcv s PHE 28 Cb -0.14 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.01 2wcv s PHE 28 CO 0.04 -0.71 0.55 -1.54 0.70 0.00 0.00 175.22 174.26 2wcv s SER 29 N 1.50 5.81 0.75 1.36 1.04 0.08 -1.33 113.70 122.91 2wcv s SER 29 Ca -0.00 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 2wcv s SER 29 Cb -0.20 -1.12 0.09 0.00 0.10 0.00 0.00 66.02 64.90 2wcv s SER 29 CO 0.04 -0.62 1.07 1.51 0.98 0.00 0.00 173.24 176.23 2wcv s ASP 30 N -4.24 4.45 0.12 7.02 1.47 -1.26 -1.79 116.67 122.44 2wcv s ASP 30 Ca 0.49 0.33 0.11 0.00 1.18 0.00 0.00 52.55 54.65 2wcv s ASP 30 Cb -0.10 -0.83 0.54 0.00 -0.34 0.00 0.00 42.92 42.18 2wcv s ASP 30 CO 0.33 -1.84 1.33 0.00 0.68 0.00 0.00 175.17 175.68 2wcv n ALA 31 N -3.07 1.16 0.89 2.11 0.00 0.94 -2.57 120.51 119.98 2wcv n ALA 31 Ca 0.10 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2wcv n ALA 31 Cb 0.60 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.80 0.00 -2.30 0.00 8.25 -1.26 -5.00 115.22 113.11 2wcv n HIS 32 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2wcv n HIS 32 Cb 0.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.09 3.29 -1.57 4.41 5.36 -1.06 -4.92 117.98 121.39 2wcv s PHE 33 Ca 0.20 1.56 -0.10 0.00 -0.96 0.00 0.00 56.93 57.63 2wcv s PHE 33 Cb 0.17 -3.47 -0.09 0.00 -0.34 0.00 0.00 43.02 39.29 2wcv s PHE 33 CO 0.42 -1.21 2.98 -0.35 -1.46 0.00 0.00 175.22 175.61 2wcv n PRO 34 N 0.88 3.66 -0.29 10.12 -0.04 -1.26 -4.69 135.00 143.37 2wcv n PRO 34 Ca 0.00 -2.18 0.04 0.00 -0.04 0.00 0.00 63.50 61.32 2wcv n PRO 34 Cb 0.44 -2.77 0.18 0.00 -0.04 0.00 0.00 33.50 31.30 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 4.93 1.20 0.00 0.55 0.00 -1.95 -3.04 119.26 120.95 2wcv h ALA 35 Ca 0.85 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.80 2wcv h ALA 35 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wcv h ALA 35 CO 1.73 0.08 0.00 0.72 0.00 0.00 0.00 179.25 181.78 2wcv n HIS 36 N -4.75 0.01 0.39 0.00 8.25 -1.26 -3.29 115.22 114.57 2wcv n HIS 36 Ca 0.14 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.68 2wcv n HIS 36 Cb 0.30 -0.51 0.09 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.51 2.43 0.09 0.41 3.41 -1.15 -4.53 113.62 112.76 2wcv n SER 37 Ca 0.06 -1.69 -0.08 0.00 -0.26 0.00 0.00 58.87 56.89 2wcv n SER 37 Cb 0.27 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 2wcv n SER 37 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2wcv h MET 38 N 2.75 0.14 0.00 4.33 4.05 -1.62 -3.49 114.93 121.10 2wcv h MET 38 Ca 0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2wcv h MET 38 Cb 0.64 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2wcv h MET 38 CO 0.00 0.93 0.00 0.41 0.23 0.00 0.00 176.91 178.48 2wcv n GLY 39 N 0.91 3.31 3.70 1.39 0.00 -1.26 -4.39 105.19 108.84 2wcv n GLY 39 Ca -0.03 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 1.57 0.54 1.61 0.04 -1.26 -4.94 135.00 132.56 2wcv s PRO 40 Ca 0.00 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 2wcv s PRO 40 Cb 0.00 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 2wcv s PRO 40 CO 0.00 -2.23 1.16 0.00 0.04 0.00 0.00 177.00 175.97 2wcv n GLN 41 N -3.63 1.36 -5.04 4.56 10.64 -1.26 -4.71 117.38 119.30 2wcv n GLN 41 Ca 0.12 0.50 -0.29 0.00 -1.83 0.00 0.00 57.00 55.50 2wcv n GLN 41 Cb 0.52 -2.33 -0.15 0.00 -0.86 0.00 0.00 30.24 27.41 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 -1.36 1.91 -0.11 -0.39 1.01 -1.26 -1.42 120.40 118.78 2wcv s VAL 42 Ca 0.71 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2wcv s VAL 42 Cb -0.45 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2wcv s VAL 42 CO 0.50 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 175.28 2wcv s ILE 43 N -0.66 1.40 0.32 2.22 1.01 -0.40 -4.97 121.20 120.13 2wcv s ILE 43 Ca 0.10 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 2wcv s ILE 43 Cb -0.09 -1.31 -0.10 0.00 0.01 0.00 0.00 42.46 40.97 2wcv s ILE 43 CO 0.00 0.42 0.98 -0.13 0.00 0.00 0.00 174.94 176.22 2wcv s ARG 44 N 1.17 4.54 -0.29 2.79 1.81 -1.26 -1.46 118.95 126.26 2wcv s ARG 44 Ca -0.03 1.43 0.21 0.00 -1.72 0.00 0.00 55.73 55.61 2wcv s ARG 44 Cb -0.14 -2.84 0.49 0.00 -0.45 0.00 0.00 34.95 32.00 2wcv s ARG 44 CO -0.04 0.22 1.08 0.00 -0.68 0.00 0.00 175.30 175.89 2wcv n ALA 45 N 0.61 2.84 -1.65 2.13 0.00 0.28 -4.85 120.51 119.86 2wcv n ALA 45 Ca 0.02 -2.77 -0.41 0.00 0.00 0.00 0.00 53.44 50.28 2wcv n ALA 45 Cb 0.49 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.47 1.69 0.00 0.00 8.00 -1.22 -2.13 116.55 122.42 2wcv n ASP 46 Ca 0.06 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2wcv n ASP 46 Cb 0.81 -1.42 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 1.05 2.90 3.88 0.44 0.00 -1.26 -4.76 105.19 107.44 2wcv n GLY 47 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 4.27 0.27 0.99 1.43 -0.90 -4.73 118.68 120.00 2wcv s LEU 48 Ca 0.00 0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 53.74 2wcv s LEU 48 Cb 0.00 -3.31 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 2wcv s LEU 48 CO 0.00 0.06 0.66 -0.76 0.23 0.00 0.00 176.35 176.54 2wcv s LEU 49 N -2.42 4.15 0.31 1.79 1.02 -1.26 0.15 118.68 122.43 2wcv s LEU 49 Ca 0.40 1.17 0.02 0.00 0.02 0.00 0.00 54.13 55.74 2wcv s LEU 49 Cb -0.13 -3.82 0.59 0.00 0.02 0.00 0.00 46.19 42.85 2wcv s LEU 49 CO 0.21 -0.11 1.91 0.58 0.02 0.00 0.00 176.35 178.97 2wcv h VAL 50 N 2.15 1.04 -0.14 -1.59 2.07 -1.92 -0.14 116.25 117.72 2wcv h VAL 50 Ca -0.48 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2wcv h VAL 50 Cb 1.18 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2wcv h VAL 50 CO 0.66 0.17 0.03 0.77 0.02 0.00 0.00 177.57 179.23 2wcv h SER 51 N 0.96 0.17 -0.41 0.57 4.64 -1.93 0.48 113.55 118.03 2wcv h SER 51 Ca 0.38 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 2wcv h SER 51 Cb 0.25 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2wcv h SER 51 CO -0.15 0.18 -0.03 0.44 -0.87 0.00 0.00 176.83 176.40 2wcv h ASP 52 N 0.19 0.74 -0.23 4.97 3.32 -1.41 -1.97 116.42 122.03 2wcv h ASP 52 Ca 0.05 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 2wcv h ASP 52 Cb 0.09 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2wcv h ASP 52 CO -0.00 0.89 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.06 2wcv h LEU 53 N 0.57 0.64 -0.48 1.55 -0.00 -0.94 -2.14 115.31 114.50 2wcv h LEU 53 Ca 0.11 -0.50 0.03 0.00 -0.00 0.00 0.00 57.88 57.52 2wcv h LEU 53 Cb 0.53 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2wcv h LEU 53 CO 0.03 1.01 0.28 -0.07 -0.00 0.00 0.00 178.44 179.68 2wcv h LEU 54 N 0.28 0.44 -1.00 1.67 4.07 -0.92 0.31 115.31 120.16 2wcv h LEU 54 Ca 0.03 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.01 2wcv h LEU 54 Cb 0.85 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.46 2wcv h LEU 54 CO 0.07 0.31 0.65 -0.61 -1.08 0.00 0.00 178.44 177.78 2wcv h GLN 55 N 0.55 1.32 -0.48 1.13 4.15 -1.35 0.06 115.11 120.49 2wcv h GLN 55 Ca 0.20 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 2wcv h GLN 55 Cb 0.04 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 2wcv h GLN 55 CO -0.10 0.88 -0.21 0.00 -1.93 0.00 0.00 178.83 177.47 2wcv h ALA 56 N 1.36 0.72 0.00 3.38 0.00 -0.61 -3.32 119.26 120.79 2wcv h ALA 56 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wcv h ALA 56 Cb -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2wcv h ALA 56 CO -0.08 0.67 -1.25 0.44 0.00 0.00 0.00 179.25 179.04 2wcv n ILE 57 N -4.11 0.40 -0.27 0.00 -6.64 0.01 -4.46 119.36 104.28 2wcv n ILE 57 Ca 0.00 -0.49 0.06 0.00 -1.77 0.00 0.00 62.75 60.55 2wcv n ILE 57 Cb 0.45 -0.18 0.20 0.00 -1.44 0.00 0.00 39.64 38.68 2wcv n ILE 57 CO 0.00 0.00 0.00 -0.29 -1.77 0.00 0.00 176.55 174.49 2wcv h ILE 58 N 0.00 0.70 0.00 7.28 -0.00 -1.08 0.17 117.51 124.58 2wcv h ILE 58 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 2wcv h ILE 58 Cb 0.96 0.12 0.00 0.00 -0.00 0.00 0.00 36.82 37.90 2wcv h ILE 58 CO 0.00 0.10 0.00 1.55 -0.00 0.00 0.00 178.15 179.80 2wcv h PRO 59 N 0.54 0.00 0.00 2.19 0.13 -1.78 -3.14 132.00 129.94 2wcv h PRO 59 Ca 0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.29 2wcv h PRO 59 Cb 0.63 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 2wcv h PRO 59 CO -0.38 0.00 -2.17 1.28 -0.23 0.00 0.00 178.00 176.50 2wcv n LEU 60 N -2.98 0.14 -4.49 1.56 4.77 -0.02 -4.92 117.00 111.07 2wcv n LEU 60 Ca -0.00 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 2wcv n LEU 60 Cb 0.24 0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 2wcv n LEU 60 CO 0.24 0.36 0.08 0.12 -1.33 0.00 0.00 177.39 176.86 2wcv s PHE 61 N -2.74 3.18 -0.14 -1.77 5.36 0.40 -5.06 117.98 117.20 2wcv s PHE 61 Ca -0.09 -0.37 -0.28 0.00 -0.96 0.00 0.00 56.93 55.23 2wcv s PHE 61 Cb 0.08 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.92 2wcv s PHE 61 CO 0.84 -0.66 0.94 -2.00 -1.46 0.00 0.00 175.22 172.88 2wcv s GLU 62 N 2.06 4.36 0.33 10.12 2.56 -1.26 -4.81 118.70 132.07 2wcv s GLU 62 Ca 0.11 1.24 -0.26 0.00 0.00 0.00 0.00 54.97 56.06 2wcv s GLU 62 Cb -0.17 -3.56 -0.09 0.00 2.00 0.00 0.00 34.13 32.30 2wcv s GLU 62 CO 0.13 -0.35 1.01 -0.51 -0.56 0.00 0.00 175.26 174.99 2wcv s LEU 63 N 2.17 4.35 0.25 2.70 1.43 -1.26 0.11 118.68 128.42 2wcv s LEU 63 Ca 0.44 2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 55.25 2wcv s LEU 63 Cb -0.17 -3.95 -0.10 0.00 0.03 0.00 0.00 46.19 42.00 2wcv s LEU 63 CO 0.15 -0.21 1.47 -0.62 0.23 0.00 0.00 176.35 177.36 2wcv s ASP 64 N -1.39 6.61 0.00 2.29 -1.08 -0.56 -4.07 116.67 118.46 2wcv s ASP 64 Ca 0.51 2.70 0.15 0.00 -0.52 0.00 0.00 52.55 55.38 2wcv s ASP 64 Cb -0.23 -2.62 -0.09 0.00 -1.46 0.00 0.00 42.92 38.51 2wcv s ASP 64 CO 0.30 -0.74 0.70 -1.54 0.52 0.00 0.00 175.17 174.41 2wcv n SER 65 N 2.41 1.07 0.10 -0.34 3.41 -1.26 -4.16 113.62 114.84 2wcv n SER 65 Ca 0.07 -1.03 0.12 0.00 -0.26 0.00 0.00 58.87 57.77 2wcv n SER 65 Cb 0.40 0.76 0.20 0.00 -0.26 0.00 0.00 64.21 65.31 2wcv n SER 65 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2wcv h TYR 66 N 0.75 0.00 -3.20 7.33 -1.99 -1.96 -3.47 116.97 114.42 2wcv h TYR 66 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 2wcv h TYR 66 Cb 0.41 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.03 2wcv h TYR 66 CO 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 178.16 178.24 2wcv s ALA 67 N -3.19 -1.18 -0.01 3.88 0.00 -1.26 -5.11 121.76 114.89 2wcv s ALA 67 Ca 0.06 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 2wcv s ALA 67 Cb 0.11 0.82 -0.10 0.00 0.00 0.00 0.00 23.12 23.96 2wcv s ALA 67 CO 0.70 -0.76 1.95 -0.35 0.00 0.00 0.00 175.76 177.29 2wcv n PRO 68 N -0.33 2.63 0.00 0.00 -0.04 -1.26 -4.72 135.00 131.28 2wcv n PRO 68 Ca -0.14 0.96 0.13 0.00 -0.04 0.00 0.00 63.50 64.42 2wcv n PRO 68 Cb 0.63 -2.89 0.50 0.00 -0.04 0.00 0.00 33.50 31.70 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 7.26 0.20 -3.94 0.54 -0.04 -1.26 -4.80 135.00 132.95 2wcv n PRO 69 Ca 0.21 -0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 2wcv n PRO 69 Cb 0.37 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.85 1.47 -0.04 1.53 1.43 -1.26 -1.72 118.68 117.25 2wcv s LEU 70 Ca 0.17 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2wcv s LEU 70 Cb 0.19 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.44 2wcv s LEU 70 CO 0.57 -0.11 -0.08 -0.69 0.23 0.00 0.00 176.35 176.26 2wcv s VAL 71 N 1.61 0.80 0.34 -1.59 1.01 -0.66 -1.63 120.40 120.29 2wcv s VAL 71 Ca 0.04 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2wcv s VAL 71 Cb -0.13 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 2wcv s VAL 71 CO -0.09 0.27 0.06 -0.04 0.00 0.00 0.00 175.10 175.30 2wcv s MET 72 N 0.54 1.71 -0.15 2.72 -1.94 0.86 0.06 119.30 123.09 2wcv s MET 72 Ca -0.09 -1.96 -0.18 0.00 -1.71 0.00 0.00 55.69 51.75 2wcv s MET 72 Cb -0.12 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.76 2wcv s MET 72 CO 0.01 -0.20 0.49 1.41 -0.01 0.00 0.00 175.02 176.71 2wcv s MET 73 N -3.86 4.28 0.43 2.03 1.75 -1.25 -1.61 119.30 121.06 2wcv s MET 73 Ca 0.35 0.42 -0.23 0.00 -1.25 0.00 0.00 55.69 54.97 2wcv s MET 73 Cb 0.08 -3.48 -0.08 0.00 2.84 0.00 0.00 34.83 34.19 2wcv s MET 73 CO 0.15 0.04 1.10 0.00 -0.65 0.00 0.00 175.02 175.67 2wcv s ALA 74 N 1.00 3.03 0.45 4.11 0.00 -0.19 -4.83 121.76 125.33 2wcv s ALA 74 Ca 0.25 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 2wcv s ALA 74 Cb -0.15 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2wcv s ALA 74 CO 0.10 -0.41 1.28 0.00 0.00 0.00 0.00 175.76 176.73 2wcv s ALA 75 N -1.62 3.08 0.62 0.00 0.00 -1.26 -4.39 121.76 118.19 2wcv s ALA 75 Ca 0.61 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 2wcv s ALA 75 Cb -0.25 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 2wcv s ALA 75 CO 0.30 -0.90 1.02 0.14 0.00 0.00 0.00 175.76 176.32 2wcv s VAL 76 N -1.35 4.53 0.13 0.00 -7.23 -1.26 -4.93 120.40 110.29 2wcv s VAL 76 Ca 0.62 0.75 -0.35 0.00 -1.81 0.00 0.00 61.98 61.20 2wcv s VAL 76 Cb -0.36 -3.81 -0.15 0.00 0.56 0.00 0.00 36.38 32.63 2wcv s VAL 76 CO 0.45 -1.04 1.52 -0.62 -0.31 0.00 0.00 175.10 175.10 2wcv n GLU 77 N -2.74 1.88 0.00 4.82 1.02 -1.26 -1.59 120.64 122.76 2wcv n GLU 77 Ca 0.06 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2wcv n GLU 77 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 3.21 3.11 3.89 0.62 0.00 -1.26 -5.06 105.19 109.70 2wcv n GLY 78 Ca 0.18 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 5.81 -0.13 1.61 1.01 -0.62 -5.08 116.67 119.26 2wcv s ASP 79 Ca 0.00 1.12 -0.02 0.00 0.71 0.00 0.00 52.55 54.36 2wcv s ASP 79 Cb 0.00 -2.09 0.04 0.00 1.01 0.00 0.00 42.92 41.88 2wcv s ASP 79 CO 0.00 -1.06 0.02 -0.89 0.21 0.00 0.00 175.17 173.45 2wcv s THR 80 N -3.17 0.46 0.31 -1.27 2.01 -1.26 -4.72 115.64 108.00 2wcv s THR 80 Ca 0.55 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.06 2wcv s THR 80 Cb -0.11 -0.78 -0.13 0.00 0.01 0.00 0.00 72.50 71.48 2wcv s THR 80 CO 0.50 0.04 1.01 0.18 -0.69 0.00 0.00 174.62 175.67 2wcv n LEU 81 N 5.10 1.96 -4.55 4.42 4.77 -1.26 -4.91 117.00 122.53 2wcv n LEU 81 Ca -0.08 1.16 -0.43 0.00 -0.03 0.00 0.00 56.01 56.63 2wcv n LEU 81 Cb 0.49 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 2wcv n LEU 81 CO 0.12 -1.39 0.64 -0.62 -1.33 0.00 0.00 177.39 174.81 2wcv s ASP 82 N -0.57 6.44 0.53 -1.43 2.15 -1.26 -4.95 116.67 117.58 2wcv s ASP 82 Ca 0.59 -0.05 0.24 0.00 0.43 0.00 0.00 52.55 53.76 2wcv s ASP 82 Cb -0.67 -2.41 1.39 0.00 -0.30 0.00 0.00 42.92 40.93 2wcv s ASP 82 CO 0.60 -0.98 2.03 1.55 -0.17 0.00 0.00 175.17 178.20 2wcv h PRO 83 N 9.04 0.00 -0.33 4.34 0.13 -2.00 -1.98 132.00 141.19 2wcv h PRO 83 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 2wcv h PRO 83 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2wcv h PRO 83 CO 0.99 0.00 -0.10 1.05 -0.23 0.00 0.00 178.00 179.71 2wcv h GLU 84 N 0.00 0.56 0.53 0.86 -0.00 -1.99 -1.72 114.58 112.81 2wcv h GLU 84 Ca 0.19 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.36 59.37 2wcv h GLU 84 Cb 0.77 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.45 2wcv h GLU 84 CO -0.00 0.66 -0.35 0.28 -0.00 0.00 0.00 179.01 179.59 2wcv h VAL 85 N 0.52 0.28 -0.93 -1.06 2.07 -1.78 -1.37 116.25 113.98 2wcv h VAL 85 Ca 0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.83 2wcv h VAL 85 Cb 0.49 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 30.42 2wcv h VAL 85 CO 0.03 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.77 2wcv h GLU 86 N -0.85 0.52 0.82 1.57 4.39 -1.52 -0.40 114.58 119.11 2wcv h GLU 86 Ca -0.06 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2wcv h GLU 86 Cb 0.70 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2wcv h GLU 86 CO 0.05 0.34 -0.40 -0.09 -1.16 0.00 0.00 179.01 177.75 2wcv h ARG 87 N 0.54 -1.07 0.00 2.33 2.43 -0.65 -2.17 114.38 115.79 2wcv h ARG 87 Ca 0.57 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 2wcv h ARG 87 Cb 1.00 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2wcv h ARG 87 CO -0.46 -0.71 0.00 0.07 -1.51 0.00 0.00 179.97 177.35 2wcv h ARG 88 N -1.16 0.00 -0.08 0.20 0.11 -0.98 -2.07 114.38 110.41 2wcv h ARG 88 Ca -0.11 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.91 2wcv h ARG 88 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 2wcv h ARG 88 CO 0.19 0.00 -0.17 1.88 0.10 0.00 0.00 179.97 181.97 2wcv h TYR 89 N 0.00 0.32 -0.35 4.08 -1.99 -1.04 -2.19 116.97 115.80 2wcv h TYR 89 Ca 0.00 -0.12 -0.10 0.00 2.00 0.00 0.00 58.73 60.52 2wcv h TYR 89 Cb 0.48 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 2wcv h TYR 89 CO 0.00 0.78 -0.18 0.00 -0.00 0.00 0.00 178.16 178.76 2wcv h ARG 90 N -0.23 0.65 -0.29 4.88 3.08 -1.21 -1.52 114.38 119.74 2wcv h ARG 90 Ca 0.00 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2wcv h ARG 90 Cb 0.76 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2wcv h ARG 90 CO 0.04 0.79 0.09 -0.91 -1.07 0.00 0.00 179.97 178.91 2wcv h ASN 91 N 0.58 0.42 -0.82 7.04 4.21 -1.40 0.67 115.58 126.28 2wcv h ASN 91 Ca 0.09 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 2wcv h ASN 91 Cb 0.63 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 2wcv h ASN 91 CO 0.04 0.51 0.47 0.00 -1.29 0.00 0.00 177.43 177.16 2wcv h ALA 92 N 0.93 1.04 0.00 -0.83 0.00 -1.27 -2.16 119.26 116.98 2wcv h ALA 92 Ca 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wcv h ALA 92 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wcv h ALA 92 CO -0.00 0.53 -0.25 -0.07 0.00 0.00 0.00 179.25 179.46 2wcv h LEU 93 N 1.13 0.00 -3.05 0.00 3.38 -0.91 -3.15 115.31 112.70 2wcv h LEU 93 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2wcv h LEU 93 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wcv h LEU 93 CO -0.05 0.25 0.00 -1.20 0.09 0.00 0.00 178.44 177.53 2wcv n SER 94 N -3.54 4.75 0.27 -0.43 7.64 0.20 -4.44 113.62 118.06 2wcv n SER 94 Ca -0.01 -2.54 0.18 0.00 1.01 0.00 0.00 58.87 57.51 2wcv n SER 94 Cb 0.40 -0.59 0.77 0.00 -1.01 0.00 0.00 64.21 63.77 2wcv n SER 94 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wcv h LEU 95 N 3.81 0.00 0.00 -3.43 3.38 -1.48 -3.24 115.31 114.34 2wcv h LEU 95 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2wcv h LEU 95 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 2wcv h LEU 95 CO 0.29 0.00 -1.43 1.67 0.09 0.00 0.00 178.44 179.06 2wcv n GLN 96 N -2.95 2.82 -3.64 1.13 7.27 -1.26 -5.10 117.38 115.65 2wcv n GLN 96 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 2wcv n GLN 96 Cb 0.24 -1.16 -0.01 0.00 2.41 0.00 0.00 30.24 31.72 2wcv n GLN 96 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wcv s ALA 97 N -2.17 -2.06 0.31 1.69 0.00 -1.23 -5.13 121.76 113.17 2wcv s ALA 97 Ca -0.03 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2wcv s ALA 97 Cb 0.02 0.37 -0.11 0.00 0.00 0.00 0.00 23.12 23.41 2wcv s ALA 97 CO 0.26 -0.98 1.48 -1.25 0.00 0.00 0.00 175.76 175.26 2wcv s PRO 98 N -2.66 4.19 0.15 0.00 0.04 -1.26 -4.15 135.00 131.31 2wcv s PRO 98 Ca 0.13 2.44 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 2wcv s PRO 98 Cb 0.02 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 2wcv s PRO 98 CO -0.03 -0.48 0.39 0.00 0.04 0.00 0.00 177.00 176.93 2wcv s PRO 100 N -2.67 -1.42 0.49 0.00 0.02 -1.26 -4.96 135.00 125.21 2wcv s PRO 100 Ca 0.42 0.67 -0.21 0.00 0.02 0.00 0.00 61.00 61.90 2wcv s PRO 100 Cb -0.12 -1.51 -0.07 0.00 0.02 0.00 0.00 34.50 32.82 2wcv s PRO 100 CO 0.24 -4.01 1.09 -0.51 -0.33 0.00 0.00 177.00 173.48 2wcv s ASP 101 N -2.62 6.15 -0.08 2.53 1.11 -1.26 -4.99 116.67 117.50 2wcv s ASP 101 Ca 0.69 2.09 -0.13 0.00 0.18 0.00 0.00 52.55 55.38 2wcv s ASP 101 Cb -0.23 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.13 2wcv s ASP 101 CO 0.64 -0.92 0.31 -0.63 1.18 0.00 0.00 175.17 175.74 2wcv s ILE 102 N -1.80 5.24 0.12 0.77 1.01 -1.26 -4.57 121.20 120.71 2wcv s ILE 102 Ca 0.68 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.96 2wcv s ILE 102 Cb -0.22 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2wcv s ILE 102 CO 0.26 0.52 0.08 0.27 0.00 0.00 0.00 174.94 176.07 2wcv s ILE 103 N -0.53 4.39 -0.07 2.92 -4.36 -0.65 -4.96 121.20 117.95 2wcv s ILE 103 Ca 0.19 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.66 2wcv s ILE 103 Cb -0.14 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.38 2wcv s ILE 103 CO 0.08 0.03 -0.13 -0.13 0.24 0.00 0.00 174.94 175.02 2wcv s ARG 104 N -2.66 2.73 0.08 0.37 3.00 -1.26 -0.10 118.95 121.11 2wcv s ARG 104 Ca 0.29 -0.68 0.03 0.00 0.00 0.00 0.00 55.73 55.38 2wcv s ARG 104 Cb -0.11 -2.46 -0.03 0.00 0.00 0.00 0.00 34.95 32.35 2wcv s ARG 104 CO 0.22 0.53 -0.10 0.96 0.00 0.00 0.00 175.30 176.91 2wcv s ILE 105 N -0.48 0.87 0.68 1.52 -4.36 -0.63 -4.81 121.20 113.98 2wcv s ILE 105 Ca 0.06 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 58.80 2wcv s ILE 105 Cb -0.12 -1.17 -0.02 0.00 1.25 0.00 0.00 42.46 42.40 2wcv s ILE 105 CO 0.02 -0.49 0.92 -3.20 0.24 0.00 0.00 174.94 172.43 2wcv n ASN 106 N 0.83 0.39 -0.28 4.36 2.85 -1.26 -1.02 115.26 121.13 2wcv n ASN 106 Ca -0.18 0.71 0.07 0.00 -0.11 0.00 0.00 54.58 55.06 2wcv n ASN 106 Cb 0.57 -1.38 0.21 0.00 1.24 0.00 0.00 39.78 40.42 2wcv n ASN 106 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2wcv h ARG 107 N -0.02 0.50 -0.48 1.20 0.11 -1.95 -1.00 114.38 112.75 2wcv h ARG 107 Ca -0.48 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.45 2wcv h ARG 107 Cb 1.35 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2wcv h ARG 107 CO 0.48 0.33 -0.20 0.74 0.10 0.00 0.00 179.97 181.42 2wcv h PHE 108 N 0.52 1.09 -0.16 4.08 0.04 -1.98 -0.35 116.94 120.18 2wcv h PHE 108 Ca 0.45 -0.25 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 2wcv h PHE 108 Cb 0.68 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2wcv h PHE 108 CO -0.13 1.06 -0.18 0.00 -0.60 0.00 0.00 178.31 178.46 2wcv h ALA 109 N 0.93 1.40 -0.15 2.45 0.00 -1.74 -0.10 119.26 122.05 2wcv h ALA 109 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2wcv h ALA 109 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wcv h ALA 109 CO 0.06 0.41 -0.06 0.35 0.00 0.00 0.00 179.25 180.02 2wcv h PHE 110 N 0.26 0.36 -0.26 0.00 3.57 -0.66 -1.58 116.94 118.62 2wcv h PHE 110 Ca 0.05 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.49 2wcv h PHE 110 Cb 0.47 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2wcv h PHE 110 CO 0.01 0.62 0.10 1.88 -2.23 0.00 0.00 178.31 178.69 2wcv h TYR 111 N -0.01 0.19 -0.97 0.41 0.99 -0.65 0.14 116.97 117.08 2wcv h TYR 111 Ca 0.04 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.90 2wcv h TYR 111 Cb 0.51 -0.05 -0.08 0.00 1.00 0.00 0.00 36.73 38.11 2wcv h TYR 111 CO 0.06 0.09 0.59 0.93 -0.00 0.00 0.00 178.16 179.84 2wcv h GLU 112 N 0.23 0.90 -0.12 4.88 5.08 -0.91 -0.00 114.58 124.64 2wcv h GLU 112 Ca 0.11 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2wcv h GLU 112 Cb 0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2wcv h GLU 112 CO -0.10 0.59 -0.66 -0.09 -1.00 0.00 0.00 179.01 177.75 2wcv h ARG 113 N 0.92 0.46 -0.32 2.33 2.43 -0.56 -2.97 114.38 116.68 2wcv h ARG 113 Ca 0.48 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2wcv h ARG 113 Cb 0.50 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2wcv h ARG 113 CO -0.28 0.96 0.11 0.00 -1.51 0.00 0.00 179.97 179.25 2wcv h ALA 114 N 0.95 1.61 0.00 2.80 0.00 0.10 -0.59 119.26 124.13 2wcv h ALA 114 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2wcv h ALA 114 Cb 1.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wcv h ALA 114 CO 0.12 0.31 -0.04 1.96 0.00 0.00 0.00 179.25 181.59 2wcv h GLN 115 N 0.45 0.00 -0.02 0.00 4.20 -0.94 -2.10 115.11 116.70 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 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2wcv h GLN 115 CO -0.01 0.04 -0.16 1.63 -0.67 0.00 0.00 178.83 179.66 2wcv n LYS 116 N -3.65 1.76 -1.11 1.46 5.02 -0.27 -4.47 118.16 116.90 2wcv n LYS 116 Ca -0.02 -1.46 -0.32 0.00 -2.02 0.00 0.00 58.31 54.49 2wcv n LYS 116 Cb 0.14 -1.41 0.12 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.96 1.94 0.18 7.82 0.00 -0.79 -4.87 121.76 124.08 2wcv s ALA 117 Ca 0.22 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 2wcv s ALA 117 Cb 0.17 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2wcv s ALA 117 CO 0.36 -2.14 1.43 0.35 0.00 0.00 0.00 175.76 175.76 2wcv h PHE 118 N -1.20 0.49 -2.53 0.00 3.57 -0.73 -3.42 116.94 113.12 2wcv h PHE 118 Ca -0.44 -0.23 0.07 0.00 3.53 0.00 0.00 57.97 60.90 2wcv h PHE 118 Cb 1.26 -0.07 -0.14 0.00 2.79 0.00 0.00 35.95 39.79 2wcv h PHE 118 CO 0.53 0.99 0.40 0.00 -2.23 0.00 0.00 178.31 177.99 2wcv s ALA 119 N -3.54 -1.73 -0.07 2.41 0.00 -1.25 -4.13 121.76 113.46 2wcv s ALA 119 Ca -0.05 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.69 2wcv s ALA 119 Cb 0.10 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2wcv s ALA 119 CO 0.84 -0.74 -0.08 0.42 0.00 0.00 0.00 175.76 176.19 2wcv s ILE 120 N -3.35 0.91 -0.28 0.00 1.01 -0.51 -1.86 121.20 117.12 2wcv s ILE 120 Ca 0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2wcv s ILE 120 Cb -0.01 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.59 2wcv s ILE 120 CO -0.09 0.32 0.04 -0.69 0.00 0.00 0.00 174.94 174.51 2wcv s VAL 121 N 1.01 3.66 -0.32 2.92 1.01 0.83 -1.27 120.40 128.25 2wcv s VAL 121 Ca -0.09 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2wcv s VAL 121 Cb -0.15 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2wcv s VAL 121 CO -0.00 0.12 0.43 -0.51 0.00 0.00 0.00 175.10 175.14 2wcv s ILE 122 N 1.45 5.11 0.11 2.22 2.07 -0.53 -0.75 121.20 130.89 2wcv s ILE 122 Ca 0.02 0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.63 2wcv s ILE 122 Cb -0.17 -3.83 0.02 0.00 0.13 0.00 0.00 42.46 38.61 2wcv s ILE 122 CO 0.00 -0.04 0.15 0.35 -1.91 0.00 0.00 174.94 173.49 2wcv n THR 123 N 5.26 0.00 -0.08 4.00 -2.24 -0.74 0.99 114.28 121.46 2wcv n THR 123 Ca -0.07 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2wcv n THR 123 Cb 0.50 -1.13 0.29 0.00 -2.10 0.00 0.00 70.33 67.89 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 3.77 2.13 3.68 3.38 0.00 0.39 -2.86 105.19 115.68 2wcv n GLY 124 Ca 0.03 -0.76 -0.48 0.00 0.00 0.00 0.00 46.02 44.81 2wcv n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wcv n GLU 125 N 1.54 2.10 -0.00 1.61 -0.58 -1.22 -4.65 120.64 119.43 2wcv n GLU 125 Ca 0.22 0.77 0.10 0.00 -0.42 0.00 0.00 57.16 57.83 2wcv n GLU 125 Cb 0.60 -2.58 -0.14 0.00 -0.57 0.00 0.00 31.44 28.75 2wcv n GLU 125 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wcv n ARG 126 N 5.44 0.38 -1.47 3.49 1.74 -1.26 -0.04 116.66 124.94 2wcv n ARG 126 Ca 0.21 -0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 2wcv n ARG 126 Cb 0.28 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.17 2.35 0.54 7.54 0.00 -1.26 -4.93 121.76 122.81 2wcv s ALA 127 Ca 0.01 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 2wcv s ALA 127 Cb 0.15 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 2wcv s ALA 127 CO 0.86 -1.56 0.98 0.15 0.00 0.00 0.00 175.76 176.19 2wcv s LYS 128 N -4.56 3.82 -1.40 0.00 1.02 -1.26 -4.01 119.74 113.35 2wcv s LYS 128 Ca 0.64 0.84 -0.09 0.00 0.02 0.00 0.00 55.97 57.37 2wcv s LYS 128 Cb -0.19 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2wcv s LYS 128 CO 0.50 -0.34 1.05 0.66 -0.92 0.00 0.00 175.35 176.30 2wcv n TYR 129 N -1.92 -2.51 0.31 3.18 4.02 -1.26 -4.68 117.16 114.29 2wcv n TYR 129 Ca 0.06 0.95 0.09 0.00 -0.01 0.00 0.00 57.90 59.00 2wcv n TYR 129 Cb 0.54 -4.61 0.25 0.00 -0.02 0.00 0.00 39.34 35.50 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 -1.76 1.52 3.73 2.72 0.00 -1.26 -4.80 105.19 105.34 2wcv n GLY 130 Ca -0.04 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.09 7.24 -0.01 1.61 0.01 -1.26 -4.25 114.94 117.18 2wcv s ASN 131 Ca 0.37 1.98 -0.00 0.00 -0.71 0.00 0.00 52.86 54.50 2wcv s ASN 131 Cb 0.20 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.28 2wcv s ASN 131 CO 0.26 -0.29 0.03 -0.51 -1.51 0.00 0.00 177.10 175.08 2wcv s ILE 132 N 0.35 -0.03 -0.17 0.60 2.07 -0.44 -3.95 121.20 119.62 2wcv s ILE 132 Ca 0.52 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.82 2wcv s ILE 132 Cb -0.28 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 2wcv s ILE 132 CO 0.32 0.04 -0.01 -0.22 -1.91 0.00 0.00 174.94 173.16 2wcv s LEU 133 N 0.51 3.36 -0.11 8.50 0.20 0.11 -0.92 118.68 130.33 2wcv s LEU 133 Ca -0.04 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.68 2wcv s LEU 133 Cb -0.06 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 2wcv s LEU 133 CO -0.02 0.15 -0.13 -0.76 -0.29 0.00 0.00 176.35 175.31 2wcv s LEU 134 N 0.47 2.75 -0.18 -0.68 1.02 -0.02 -1.65 118.68 120.39 2wcv s LEU 134 Ca -0.02 -0.28 -0.06 0.00 0.02 0.00 0.00 54.13 53.78 2wcv s LEU 134 Cb -0.14 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 2wcv s LEU 134 CO 0.02 0.21 0.04 -0.75 0.02 0.00 0.00 176.35 175.89 2wcv s LYS 135 N 0.09 3.86 0.25 1.70 2.20 -0.70 -1.03 119.74 126.11 2wcv s LYS 135 Ca -0.05 -0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 54.90 2wcv s LYS 135 Cb -0.15 -3.14 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2wcv s LYS 135 CO 0.04 0.21 0.86 0.21 -0.36 0.00 0.00 175.35 176.32 2wcv s LYS 136 N 0.50 4.56 0.00 4.03 2.20 -0.17 -1.50 119.74 129.36 2wcv s LYS 136 Ca 0.01 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 2wcv s LYS 136 Cb -0.13 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2wcv s LYS 136 CO 0.01 0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.82 2wcv n GLY 137 N 0.97 3.50 3.59 5.54 0.00 0.12 -0.74 105.19 118.17 2wcv n GLY 137 Ca -0.01 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 0.93 4.39 -0.15 1.61 1.01 -1.26 -4.44 120.40 122.49 2wcv s VAL 138 Ca 0.00 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.74 2wcv s VAL 138 Cb 0.00 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.84 2wcv s VAL 138 CO 0.00 -0.83 2.16 0.41 0.00 0.00 0.00 175.10 176.84 2wcv n THR 139 N 6.48 0.45 0.64 3.92 -1.04 -1.26 -4.98 114.28 118.50 2wcv n THR 139 Ca 0.09 -0.37 0.05 0.00 -2.04 0.00 0.00 64.05 61.77 2wcv n THR 139 Cb 0.49 -2.49 0.31 0.00 -1.82 0.00 0.00 70.33 66.82 2wcv n THR 139 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62