#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 2.17 0.50 3.17 1.43 -1.26 -5.14 118.68 119.54 2wcv s LEU 2 Ca 0.00 -1.10 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 2wcv s LEU 2 Cb 0.00 0.20 -0.08 0.00 0.03 0.00 0.00 46.19 46.35 2wcv s LEU 2 CO 0.00 -0.64 0.96 -0.54 0.23 0.00 0.00 176.35 176.36 2wcv s LYS 3 N -3.97 3.93 0.00 1.70 1.02 -1.26 -3.94 119.74 117.23 2wcv s LYS 3 Ca 0.16 0.90 0.00 0.00 0.02 0.00 0.00 55.97 57.05 2wcv s LYS 3 Cb 0.07 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2wcv s LYS 3 CO -0.04 -0.24 0.00 2.41 -0.92 0.00 0.00 175.35 176.56 2wcv n THR 4 N -1.53 0.00 -4.46 2.17 -1.04 -1.26 -4.94 114.28 103.22 2wcv n THR 4 Ca 0.06 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.73 2wcv n THR 4 Cb 0.54 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.30 4.01 0.10 12.58 1.01 -1.25 -5.06 121.20 132.28 2wcv s ILE 5 Ca 0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 60.65 59.86 2wcv s ILE 5 Cb 0.00 -2.69 -0.15 0.00 0.01 0.00 0.00 42.46 39.63 2wcv s ILE 5 CO 0.00 0.55 1.47 -0.24 0.00 0.00 0.00 174.94 176.72 2wcv n SER 6 N 2.00 2.35 0.00 3.58 2.88 -1.26 -4.64 113.62 118.53 2wcv n SER 6 Ca -0.17 1.10 0.09 0.00 -1.33 0.00 0.00 58.87 58.56 2wcv n SER 6 Cb 0.53 -1.30 0.41 0.00 -0.75 0.00 0.00 64.21 63.11 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 3.10 0.03 0.17 -1.46 -0.04 -1.26 -2.88 135.00 132.65 2wcv n PRO 7 Ca 0.18 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2wcv n PRO 7 Cb 0.23 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.72 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 -8.70 1.53 4.07 -1.98 -3.42 115.31 106.80 2wcv h LEU 8 Ca 0.00 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.32 2wcv h LEU 8 Cb 0.31 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.91 2wcv h LEU 8 CO 0.00 0.00 0.13 -0.63 -1.08 0.00 0.00 178.44 176.86 2wcv s ILE 9 N -3.39 4.87 0.80 1.22 1.01 -1.14 -5.05 121.20 119.52 2wcv s ILE 9 Ca 0.04 0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 2wcv s ILE 9 Cb 0.09 -4.12 0.08 0.00 0.01 0.00 0.00 42.46 38.52 2wcv s ILE 9 CO 0.46 -0.42 1.16 -0.94 0.00 0.00 0.00 174.94 175.19 2wcv s SER 10 N 1.88 3.84 0.28 3.58 1.04 -1.26 -4.78 113.70 118.27 2wcv s SER 10 Ca 0.23 2.18 -0.01 0.00 0.48 0.00 0.00 55.95 58.83 2wcv s SER 10 Cb -0.14 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.86 2wcv s SER 10 CO 0.16 -2.49 1.88 -0.65 0.98 0.00 0.00 173.24 173.12 2wcv h PRO 11 N -1.00 1.09 -0.64 4.02 0.11 -1.96 -1.27 132.00 132.35 2wcv h PRO 11 Ca -0.45 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2wcv h PRO 11 Cb 1.27 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2wcv h PRO 11 CO 0.47 0.72 0.05 1.49 -0.21 0.00 0.00 178.00 180.52 2wcv h GLU 12 N 1.13 1.09 -0.17 1.05 4.57 -2.00 -2.15 114.58 118.10 2wcv h GLU 12 Ca 0.44 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2wcv h GLU 12 Cb 0.22 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2wcv h GLU 12 CO -0.18 1.03 -0.41 1.25 -1.18 0.00 0.00 179.01 179.53 2wcv h LEU 13 N 1.01 0.42 -0.36 1.64 5.85 -1.78 -0.71 115.31 121.38 2wcv h LEU 13 Ca 0.19 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2wcv h LEU 13 Cb 0.51 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2wcv h LEU 13 CO 0.02 0.78 0.18 0.25 -0.34 0.00 0.00 178.44 179.33 2wcv h LEU 14 N 0.33 0.46 -0.24 2.25 5.85 -1.01 -0.70 115.31 122.25 2wcv h LEU 14 Ca 0.03 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2wcv h LEU 14 Cb 0.86 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2wcv h LEU 14 CO 0.07 0.45 0.12 0.50 -0.34 0.00 0.00 178.44 179.24 2wcv h LYS 15 N 0.44 0.35 -0.07 1.25 3.64 -1.10 -1.95 116.57 119.14 2wcv h LYS 15 Ca 0.12 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2wcv h LYS 15 Cb 0.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2wcv h LYS 15 CO -0.02 0.34 -0.11 0.28 -2.27 0.00 0.00 179.45 177.67 2wcv h VAL 16 N 0.27 0.70 -0.94 2.00 2.07 -0.91 0.32 116.25 119.76 2wcv h VAL 16 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 2wcv h VAL 16 Cb 0.10 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2wcv h VAL 16 CO -0.01 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.12 2wcv h LEU 17 N -0.16 1.01 -0.69 2.57 3.38 -1.07 -1.77 115.31 118.58 2wcv h LEU 17 Ca 0.06 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2wcv h LEU 17 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2wcv h LEU 17 CO -0.16 0.69 -0.42 0.00 0.09 0.00 0.00 178.44 178.63 2wcv h ALA 18 N 1.46 0.86 0.00 1.53 0.00 -0.80 -2.98 119.26 119.32 2wcv h ALA 18 Ca 0.37 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2wcv h ALA 18 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wcv h ALA 18 CO -0.12 0.65 -0.36 0.93 0.00 0.00 0.00 179.25 180.35 2wcv h GLU 19 N 0.43 0.00 -6.96 0.00 5.08 -0.24 -3.45 114.58 109.44 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 0.92 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.28 2wcv h GLU 19 CO 0.08 0.36 0.72 -1.64 -1.00 0.00 0.00 179.01 177.53 2wcv s MET 20 N -3.67 3.95 0.17 2.33 -1.94 -0.73 -5.02 119.30 114.38 2wcv s MET 20 Ca -0.00 2.44 0.00 0.00 -1.71 0.00 0.00 55.69 56.42 2wcv s MET 20 Cb 0.11 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 34.12 2wcv s MET 20 CO 0.68 -0.61 0.03 0.41 -0.01 0.00 0.00 175.02 175.52 2wcv n GLY 21 N 0.55 3.73 3.69 -0.03 0.00 -1.26 -5.01 105.19 106.85 2wcv n GLY 21 Ca 0.03 -2.25 -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 1.57 0.00 0.00 0.00 173.32 174.89 2wcv n HIS 22 N -0.54 2.60 0.00 1.61 -0.00 -1.26 -1.54 115.22 116.10 2wcv n HIS 22 Ca -0.05 -0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 2wcv n HIS 22 Cb 0.20 -2.74 0.00 0.00 -0.00 0.00 0.00 29.99 27.45 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 4.29 3.08 3.77 1.57 0.00 -0.47 -4.99 105.19 112.44 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 -1.17 6.02 0.04 1.61 1.01 -0.59 -4.68 116.67 118.92 2wcv s ASP 24 Ca 0.00 2.47 0.08 0.00 0.71 0.00 0.00 52.55 55.81 2wcv s ASP 24 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2wcv s ASP 24 CO 0.00 -1.03 -0.24 -1.61 0.21 0.00 0.00 175.17 172.50 2wcv s GLU 25 N -2.64 1.65 0.01 8.23 2.02 -1.26 -0.74 118.70 125.97 2wcv s GLU 25 Ca 0.64 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 54.64 2wcv s GLU 25 Cb -0.33 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 2wcv s GLU 25 CO 0.40 0.46 -0.11 -1.50 0.02 0.00 0.00 175.26 174.53 2wcv s ILE 26 N -0.78 0.89 -0.09 -1.63 2.07 0.11 -1.04 121.20 120.73 2wcv s ILE 26 Ca 0.10 -0.64 0.01 0.00 -1.41 0.00 0.00 60.65 58.71 2wcv s ILE 26 Cb -0.09 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 2wcv s ILE 26 CO 0.02 0.13 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.44 2wcv s ILE 27 N -0.49 3.37 -0.38 2.00 1.01 -1.00 -0.17 121.20 125.54 2wcv s ILE 27 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2wcv s ILE 27 Cb -0.05 -2.39 0.09 0.00 0.01 0.00 0.00 42.46 40.12 2wcv s ILE 27 CO 0.00 0.56 0.15 -0.36 0.00 0.00 0.00 174.94 175.30 2wcv s PHE 28 N -0.33 3.47 0.32 3.97 2.99 -0.37 -0.17 117.98 127.86 2wcv s PHE 28 Ca 0.04 -2.15 0.05 0.00 0.00 0.00 0.00 56.93 54.87 2wcv s PHE 28 Cb -0.13 -2.88 -0.02 0.00 0.00 0.00 0.00 43.02 40.00 2wcv s PHE 28 CO 0.02 -0.91 0.47 -1.54 -0.00 0.00 0.00 175.22 173.26 2wcv s SER 29 N 1.69 6.09 0.89 1.36 1.04 -0.49 -1.85 113.70 122.43 2wcv s SER 29 Ca 0.04 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 2wcv s SER 29 Cb -0.22 -1.54 0.14 0.00 0.10 0.00 0.00 66.02 64.50 2wcv s SER 29 CO -0.02 -0.34 1.23 1.51 0.98 0.00 0.00 173.24 176.60 2wcv s ASP 30 N -4.10 3.75 0.01 7.02 1.47 -1.26 -1.97 116.67 121.59 2wcv s ASP 30 Ca 0.41 0.58 0.09 0.00 1.18 0.00 0.00 52.55 54.82 2wcv s ASP 30 Cb -0.09 -0.89 0.39 0.00 -0.34 0.00 0.00 42.92 41.99 2wcv s ASP 30 CO 0.32 -2.36 1.29 0.00 0.68 0.00 0.00 175.17 175.09 2wcv n ALA 31 N -3.58 1.39 0.79 2.11 0.00 0.21 -2.50 120.51 118.92 2wcv n ALA 31 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.62 2wcv n ALA 31 Cb 0.60 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.53 0.00 -2.13 0.00 8.25 -1.26 -4.99 115.22 113.55 2wcv n HIS 32 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2wcv n HIS 32 Cb 0.10 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.89 3.07 -1.26 4.41 5.36 -1.04 -4.90 117.98 121.73 2wcv s PHE 33 Ca 0.17 1.43 -0.08 0.00 -0.96 0.00 0.00 56.93 57.49 2wcv s PHE 33 Cb 0.15 -3.66 -0.08 0.00 -0.34 0.00 0.00 43.02 39.09 2wcv s PHE 33 CO 0.38 -1.79 2.99 -0.35 -1.46 0.00 0.00 175.22 174.99 2wcv n PRO 34 N 0.79 3.50 -0.33 10.12 -0.04 -1.26 -4.70 135.00 143.08 2wcv n PRO 34 Ca 0.00 -2.19 0.03 0.00 -0.04 0.00 0.00 63.50 61.30 2wcv n PRO 34 Cb 0.42 -2.61 0.17 0.00 -0.04 0.00 0.00 33.50 31.44 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 4.52 1.30 0.00 0.55 0.00 -1.94 -2.94 119.26 120.75 2wcv h ALA 35 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2wcv h ALA 35 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wcv h ALA 35 CO 1.44 0.27 0.00 0.72 0.00 0.00 0.00 179.25 181.68 2wcv n HIS 36 N -4.62 0.53 0.84 0.00 8.25 -1.26 -2.89 115.22 116.07 2wcv n HIS 36 Ca 0.15 0.18 0.09 0.00 -0.26 0.00 0.00 57.72 57.88 2wcv n HIS 36 Cb 0.24 -0.80 -0.03 0.00 1.12 0.00 0.00 29.99 30.52 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 -1.96 1.57 -0.03 0.41 3.41 -1.12 -4.53 113.62 111.37 2wcv n SER 37 Ca 0.04 -1.28 -0.12 0.00 -0.26 0.00 0.00 58.87 57.25 2wcv n SER 37 Cb 0.29 0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 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 1.56 0.18 0.00 4.33 4.05 -1.49 -3.49 114.93 120.07 2wcv h MET 38 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2wcv h MET 38 Cb 0.59 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 2wcv h MET 38 CO 0.00 0.36 0.00 0.41 0.23 0.00 0.00 176.91 177.91 2wcv n GLY 39 N -0.47 2.62 3.56 1.39 0.00 -1.26 -4.40 105.19 106.63 2wcv n GLY 39 Ca -0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2wcv n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wcv n PRO 40 N 0.00 -1.44 -1.61 1.61 -0.04 -1.26 -4.91 135.00 127.35 2wcv n PRO 40 Ca 0.00 -0.37 -0.40 0.00 -0.04 0.00 0.00 63.50 62.69 2wcv n PRO 40 Cb 0.00 -2.26 0.03 0.00 -0.04 0.00 0.00 33.50 31.23 2wcv n PRO 40 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wcv n GLN 41 N -4.51 1.22 -5.26 0.54 7.27 -1.26 -4.69 117.38 110.69 2wcv n GLN 41 Ca 0.07 0.45 -0.31 0.00 0.07 0.00 0.00 57.00 57.28 2wcv n GLN 41 Cb 0.53 -2.10 -0.16 0.00 2.41 0.00 0.00 30.24 30.92 2wcv n GLN 41 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wcv s VAL 42 N -1.37 2.09 -0.08 1.69 1.01 -1.26 -0.92 120.40 121.56 2wcv s VAL 42 Ca 0.67 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2wcv s VAL 42 Cb -0.50 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2wcv s VAL 42 CO 0.54 0.57 -0.21 -0.63 0.00 0.00 0.00 175.10 175.37 2wcv s ILE 43 N -0.29 2.38 -0.04 2.22 1.01 0.24 -4.96 121.20 121.76 2wcv s ILE 43 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 2wcv s ILE 43 Cb -0.13 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2wcv s ILE 43 CO 0.02 0.56 0.46 -0.13 0.00 0.00 0.00 174.94 175.86 2wcv s ARG 44 N 0.01 4.16 -0.39 2.79 1.81 -1.26 -1.59 118.95 124.49 2wcv s ARG 44 Ca -0.07 0.48 0.11 0.00 -1.72 0.00 0.00 55.73 54.52 2wcv s ARG 44 Cb -0.15 -3.33 0.34 0.00 -0.45 0.00 0.00 34.95 31.36 2wcv s ARG 44 CO 0.05 0.43 0.78 0.00 -0.68 0.00 0.00 175.30 175.89 2wcv n ALA 45 N 2.68 1.54 0.33 2.13 0.00 0.07 -4.95 120.51 122.31 2wcv n ALA 45 Ca -0.10 -3.07 0.14 0.00 0.00 0.00 0.00 53.44 50.41 2wcv n ALA 45 Cb 0.52 -0.97 0.61 0.00 0.00 0.00 0.00 19.45 19.61 2wcv n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wcv h ASP 46 N 3.06 0.00 -0.58 0.00 3.32 -1.85 -2.89 116.42 117.47 2wcv h ASP 46 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wcv h ASP 46 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2wcv h ASP 46 CO 0.44 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2wcv n GLY 47 N -0.26 2.86 3.29 2.75 0.00 -1.26 -3.88 105.19 108.70 2wcv n GLY 47 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.75 2.38 0.37 0.99 1.43 -1.14 -4.95 118.68 116.00 2wcv s LEU 48 Ca 0.46 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2wcv s LEU 48 Cb 0.30 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 2wcv s LEU 48 CO 0.23 -0.03 0.55 -0.76 0.23 0.00 0.00 176.35 176.57 2wcv s LEU 49 N -2.35 3.93 0.28 1.79 1.02 -1.26 -0.21 118.68 121.88 2wcv s LEU 49 Ca 0.11 0.25 -0.03 0.00 0.02 0.00 0.00 54.13 54.48 2wcv s LEU 49 Cb -0.07 -3.12 0.38 0.00 0.02 0.00 0.00 46.19 43.39 2wcv s LEU 49 CO 0.05 -0.42 1.92 0.58 0.02 0.00 0.00 176.35 178.51 2wcv h VAL 50 N 0.71 1.23 -0.43 -1.59 2.07 -1.92 -1.34 116.25 114.99 2wcv h VAL 50 Ca -0.48 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2wcv h VAL 50 Cb 1.24 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2wcv h VAL 50 CO 0.59 0.24 0.28 0.77 0.02 0.00 0.00 177.57 179.47 2wcv h SER 51 N 1.12 0.37 -0.25 0.57 4.64 -1.94 -1.01 113.55 117.05 2wcv h SER 51 Ca 0.29 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 2wcv h SER 51 Cb -0.04 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2wcv h SER 51 CO -0.05 0.25 0.10 0.44 -0.87 0.00 0.00 176.83 176.70 2wcv h ASP 52 N 0.43 0.35 -0.08 4.97 3.32 -1.63 -1.76 116.42 122.02 2wcv h ASP 52 Ca 0.18 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2wcv h ASP 52 Cb 0.16 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2wcv h ASP 52 CO -0.04 0.43 0.03 -0.07 -1.72 0.00 0.00 179.24 177.86 2wcv h LEU 53 N 0.25 0.11 0.01 1.55 4.07 -1.20 -1.63 115.31 118.47 2wcv h LEU 53 Ca 0.08 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.88 2wcv h LEU 53 Cb 0.19 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 2wcv h LEU 53 CO -0.01 0.27 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.20 2wcv h LEU 54 N -0.06 -1.07 -1.48 1.67 -0.00 -1.18 0.33 115.31 113.54 2wcv h LEU 54 Ca 0.03 0.13 0.09 0.00 -0.00 0.00 0.00 57.88 58.13 2wcv h LEU 54 Cb 0.20 0.42 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 2wcv h LEU 54 CO -0.00 -0.41 0.46 -0.61 -0.00 0.00 0.00 178.44 177.87 2wcv h GLN 55 N -0.52 0.58 0.02 1.13 4.15 -1.29 0.88 115.11 120.07 2wcv h GLN 55 Ca 0.05 -0.04 -0.21 0.00 0.77 0.00 0.00 58.65 59.23 2wcv h GLN 55 Cb 0.60 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 2wcv h GLN 55 CO -0.28 0.39 -1.00 0.00 -1.93 0.00 0.00 178.83 176.01 2wcv h ALA 56 N 1.64 0.37 0.00 3.38 0.00 -0.21 -3.37 119.26 121.07 2wcv h ALA 56 Ca 0.31 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2wcv h ALA 56 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2wcv h ALA 56 CO -0.11 1.15 -1.98 -0.89 0.00 0.00 0.00 179.25 177.42 2wcv n ILE 57 N -3.44 0.54 -0.21 0.00 5.41 0.11 -4.53 119.36 117.24 2wcv n ILE 57 Ca -0.02 -0.62 0.13 0.00 1.00 0.00 0.00 62.75 63.24 2wcv n ILE 57 Cb 0.92 -0.22 0.44 0.00 -0.71 0.00 0.00 39.64 40.06 2wcv n ILE 57 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 2wcv h ILE 58 N 0.00 0.83 0.00 1.39 6.09 -1.00 0.11 117.51 124.92 2wcv h ILE 58 Ca -0.17 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 2wcv h ILE 58 Cb 1.40 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2wcv h ILE 58 CO 0.01 0.10 0.00 -0.81 -3.07 0.00 0.00 178.15 174.39 2wcv n PRO 59 N -4.51 0.10 -0.03 2.19 -0.04 -1.26 -3.06 135.00 128.38 2wcv n PRO 59 Ca 0.15 0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.91 2wcv n PRO 59 Cb 0.48 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 2wcv n PRO 59 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wcv n LEU 60 N -1.84 0.00 -4.45 1.53 4.32 0.13 -4.94 117.00 111.75 2wcv n LEU 60 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.61 2wcv n LEU 60 Cb 0.24 0.14 -0.10 0.00 -1.62 0.00 0.00 43.42 42.08 2wcv n LEU 60 CO 0.19 0.14 -0.11 0.12 -1.22 0.00 0.00 177.39 176.52 2wcv s PHE 61 N -2.78 3.24 0.18 -1.77 5.36 0.12 -5.07 117.98 117.26 2wcv s PHE 61 Ca -0.06 -0.63 -0.30 0.00 -0.96 0.00 0.00 56.93 54.97 2wcv s PHE 61 Cb 0.08 -2.52 -0.08 0.00 -0.34 0.00 0.00 43.02 40.16 2wcv s PHE 61 CO 0.62 -0.57 1.09 -2.00 -1.46 0.00 0.00 175.22 172.90 2wcv s GLU 62 N 1.65 4.61 0.14 10.12 2.56 -1.26 -4.79 118.70 131.73 2wcv s GLU 62 Ca 0.04 1.70 -0.07 0.00 0.00 0.00 0.00 54.97 56.64 2wcv s GLU 62 Cb -0.19 -3.28 -0.06 0.00 2.00 0.00 0.00 34.13 32.60 2wcv s GLU 62 CO 0.09 0.10 0.42 -0.51 -0.56 0.00 0.00 175.26 174.80 2wcv s LEU 63 N -0.41 4.27 0.25 2.70 1.43 -1.26 -0.68 118.68 124.98 2wcv s LEU 63 Ca 0.49 0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 2wcv s LEU 63 Cb -0.29 -3.30 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 2wcv s LEU 63 CO 0.35 0.06 1.43 -0.62 0.23 0.00 0.00 176.35 177.79 2wcv s ASP 64 N -2.24 6.67 0.00 2.29 -1.08 -0.36 -3.81 116.67 118.14 2wcv s ASP 64 Ca 0.40 2.65 0.16 0.00 -0.52 0.00 0.00 52.55 55.24 2wcv s ASP 64 Cb -0.12 -2.62 0.14 0.00 -1.46 0.00 0.00 42.92 38.85 2wcv s ASP 64 CO 0.22 -0.69 1.01 -1.54 0.52 0.00 0.00 175.17 174.69 2wcv n SER 65 N 2.29 2.34 -0.34 -0.34 3.41 -1.26 -4.20 113.62 115.52 2wcv n SER 65 Ca 0.06 -1.66 0.11 0.00 -0.26 0.00 0.00 58.87 57.12 2wcv n SER 65 Cb 0.40 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.88 0.00 -3.53 7.33 4.02 -1.26 -4.98 117.16 119.62 2wcv n TYR 66 Ca 0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.90 2wcv n TYR 66 Cb 0.39 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.66 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 -2.62 -1.87 -0.26 -0.72 0.00 -1.26 -5.11 121.76 109.93 2wcv s ALA 67 Ca 0.17 1.19 -0.39 0.00 0.00 0.00 0.00 51.96 52.93 2wcv s ALA 67 Cb 0.18 0.13 -0.14 0.00 0.00 0.00 0.00 23.12 23.28 2wcv s ALA 67 CO 0.64 -0.60 1.84 -0.35 0.00 0.00 0.00 175.76 177.29 2wcv n PRO 68 N -0.01 1.31 0.15 0.00 -0.04 -1.26 -4.70 135.00 130.45 2wcv n PRO 68 Ca -0.08 0.47 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 2wcv n PRO 68 Cb 0.61 -2.24 0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2wcv n PRO 68 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2wcv h PRO 69 N 8.28 0.00 -4.77 0.54 0.13 -1.87 -3.45 132.00 130.86 2wcv h PRO 69 Ca -0.44 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 2wcv h PRO 69 Cb 1.31 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.08 2wcv h PRO 69 CO 0.97 0.11 -0.82 -0.51 -0.23 0.00 0.00 178.00 177.52 2wcv s LEU 70 N -5.94 2.55 -0.08 1.56 1.43 -1.26 -1.40 118.68 115.54 2wcv s LEU 70 Ca 0.03 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 2wcv s LEU 70 Cb 0.07 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2wcv s LEU 70 CO 0.73 -0.12 -0.14 -0.69 0.23 0.00 0.00 176.35 176.36 2wcv s VAL 71 N 1.29 1.32 0.53 -1.59 1.01 -0.47 -2.11 120.40 120.38 2wcv s VAL 71 Ca -0.02 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2wcv s VAL 71 Cb -0.16 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2wcv s VAL 71 CO -0.08 0.40 0.26 -0.04 0.00 0.00 0.00 175.10 175.64 2wcv s MET 72 N 0.80 2.24 -0.09 2.72 -1.94 0.86 0.99 119.30 124.89 2wcv s MET 72 Ca -0.11 -2.14 -0.13 0.00 -1.71 0.00 0.00 55.69 51.60 2wcv s MET 72 Cb -0.16 -1.91 -0.05 0.00 2.01 0.00 0.00 34.83 34.73 2wcv s MET 72 CO 0.02 -0.51 0.32 1.41 -0.01 0.00 0.00 175.02 176.24 2wcv s MET 73 N -4.13 3.97 0.23 2.03 1.75 -1.25 -1.35 119.30 120.54 2wcv s MET 73 Ca 0.25 0.20 -0.12 0.00 -1.25 0.00 0.00 55.69 54.77 2wcv s MET 73 Cb -0.01 -3.30 -0.08 0.00 2.84 0.00 0.00 34.83 34.29 2wcv s MET 73 CO 0.15 0.52 0.60 0.00 -0.65 0.00 0.00 175.02 175.64 2wcv s ALA 74 N -0.43 3.51 0.19 4.11 0.00 -0.17 -4.80 121.76 124.18 2wcv s ALA 74 Ca 0.20 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.66 2wcv s ALA 74 Cb -0.14 -2.54 -0.14 0.00 0.00 0.00 0.00 23.12 20.30 2wcv s ALA 74 CO 0.08 0.46 1.49 0.00 0.00 0.00 0.00 175.76 177.78 2wcv n ALA 75 N 0.01 1.13 -1.76 0.00 0.00 -1.26 -4.42 120.51 114.22 2wcv n ALA 75 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 2wcv n ALA 75 Cb 0.52 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 2wcv n ALA 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wcv s VAL 76 N 0.45 2.56 -0.51 0.00 1.01 -1.26 -4.64 120.40 118.02 2wcv s VAL 76 Ca 0.74 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 2wcv s VAL 76 Cb -0.68 -3.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 2wcv s VAL 76 CO 0.44 0.00 1.24 1.21 0.00 0.00 0.00 175.10 177.99 2wcv n GLU 77 N 5.45 0.00 0.00 2.72 2.13 -1.26 -2.76 120.64 126.91 2wcv n GLU 77 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2wcv n GLU 77 Cb 0.38 -0.64 0.00 0.00 0.27 0.00 0.00 31.44 31.45 2wcv n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wcv n GLY 78 N 3.06 0.30 3.45 8.31 0.00 -1.26 -5.13 105.19 113.93 2wcv n GLY 78 Ca 0.34 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 2wcv n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wcv s ASP 79 N -4.00 0.58 0.64 1.61 -4.77 -1.11 -5.04 116.67 104.58 2wcv s ASP 79 Ca 0.00 1.43 0.03 0.00 -3.30 0.00 0.00 52.55 50.71 2wcv s ASP 79 Cb 0.00 -2.21 0.12 0.00 -1.09 0.00 0.00 42.92 39.74 2wcv s ASP 79 CO 0.00 -4.44 0.84 0.41 0.70 0.00 0.00 175.17 172.68 2wcv n THR 80 N -5.07 0.00 -4.75 2.11 -1.04 -1.26 -4.65 114.28 99.62 2wcv n THR 80 Ca 0.03 -1.52 -0.26 0.00 -2.04 0.00 0.00 64.05 60.27 2wcv n THR 80 Cb 0.55 -0.82 -0.16 0.00 -1.82 0.00 0.00 70.33 68.08 2wcv n THR 80 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2wcv s LEU 81 N 0.00 1.84 0.04 -4.42 2.96 -1.26 -4.81 118.68 113.03 2wcv s LEU 81 Ca 0.58 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 2wcv s LEU 81 Cb -0.04 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 2wcv s LEU 81 CO 0.38 0.11 1.10 -0.62 -1.32 0.00 0.00 176.35 176.00 2wcv s ASP 82 N 0.25 7.21 0.04 3.68 2.15 -1.26 -4.98 116.67 123.76 2wcv s ASP 82 Ca -0.08 1.87 -0.19 0.00 0.43 0.00 0.00 52.55 54.58 2wcv s ASP 82 Cb -0.13 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.75 2wcv s ASP 82 CO 0.03 -0.37 1.27 1.55 -0.17 0.00 0.00 175.17 177.47 2wcv h PRO 83 N 6.73 0.45 -0.99 4.34 0.13 -2.00 -3.34 132.00 137.32 2wcv h PRO 83 Ca -0.41 -0.31 0.08 0.00 -0.87 0.00 0.00 66.00 64.48 2wcv h PRO 83 Cb 1.22 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2wcv h PRO 83 CO 0.78 0.93 0.64 0.93 -0.23 0.00 0.00 178.00 181.05 2wcv h GLU 84 N 0.04 1.08 -0.41 0.86 5.08 -2.00 -2.86 114.58 116.36 2wcv h GLU 84 Ca -0.01 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2wcv h GLU 84 Cb 0.94 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 2wcv h GLU 84 CO 0.07 0.71 -0.38 0.28 -1.00 0.00 0.00 179.01 178.69 2wcv h VAL 85 N 1.11 0.16 -0.22 3.13 2.07 -1.99 -0.20 116.25 120.32 2wcv h VAL 85 Ca 0.44 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.93 2wcv h VAL 85 Cb 0.26 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2wcv h VAL 85 CO -0.19 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.29 2wcv h GLU 86 N -0.29 0.33 -0.30 1.57 4.81 -1.69 -2.73 114.58 116.27 2wcv h GLU 86 Ca 0.16 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2wcv h GLU 86 Cb 0.57 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2wcv h GLU 86 CO -0.57 0.38 -0.27 -0.09 -0.73 0.00 0.00 179.01 177.73 2wcv h ARG 87 N 0.32 0.71 -0.48 1.92 2.43 -1.06 -2.57 114.38 115.65 2wcv h ARG 87 Ca 0.07 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2wcv h ARG 87 Cb 0.27 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2wcv h ARG 87 CO 0.01 0.98 0.26 -0.09 -1.51 0.00 0.00 179.97 179.62 2wcv h ARG 88 N 0.46 0.65 -0.38 0.20 2.43 -0.86 -2.13 114.38 114.74 2wcv h ARG 88 Ca 0.05 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2wcv h ARG 88 Cb 0.84 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2wcv h ARG 88 CO 0.07 0.48 0.02 1.88 -1.51 0.00 0.00 179.97 180.91 2wcv h TYR 89 N 0.66 0.72 -0.68 2.20 -1.99 -1.35 -2.81 116.97 113.72 2wcv h TYR 89 Ca 0.17 -0.12 0.01 0.00 2.00 0.00 0.00 58.73 60.79 2wcv h TYR 89 Cb 0.02 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.53 2wcv h TYR 89 CO 0.00 0.74 0.45 0.00 -0.00 0.00 0.00 178.16 179.35 2wcv h ARG 90 N 0.49 0.90 0.00 4.88 3.08 -1.00 -0.95 114.38 121.79 2wcv h ARG 90 Ca 0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wcv h ARG 90 Cb 0.44 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2wcv h ARG 90 CO 0.02 0.59 0.00 0.09 -1.07 0.00 0.00 179.97 179.60 2wcv n ASN 91 N -4.61 0.00 -0.11 7.04 3.02 -0.86 -1.24 115.26 118.50 2wcv n ASN 91 Ca 0.06 -0.12 -0.23 0.00 -0.03 0.00 0.00 54.58 54.26 2wcv n ASN 91 Cb 0.02 -0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 38.85 2wcv n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wcv n ALA 92 N -1.22 1.19 0.15 5.41 0.00 -0.45 -4.38 120.51 121.22 2wcv n ALA 92 Ca 0.10 -0.95 0.02 0.00 0.00 0.00 0.00 53.44 52.61 2wcv n ALA 92 Cb 0.13 -0.18 0.19 0.00 0.00 0.00 0.00 19.45 19.59 2wcv n ALA 92 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wcv h LEU 93 N -0.44 0.00 -7.68 0.00 4.07 -1.19 -3.37 115.31 106.71 2wcv h LEU 93 Ca -0.57 0.00 -0.78 0.00 0.08 0.00 0.00 57.88 56.61 2wcv h LEU 93 Cb 1.76 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 43.22 2wcv h LEU 93 CO -0.19 0.54 0.20 -0.44 -1.08 0.00 0.00 178.44 177.47 2wcv s SER 94 N -6.59 6.84 0.00 -0.43 0.01 -0.37 -4.11 113.70 109.05 2wcv s SER 94 Ca 0.00 -3.13 0.00 0.00 1.31 0.00 0.00 55.95 54.13 2wcv s SER 94 Cb 0.11 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2wcv s SER 94 CO 0.73 -0.42 0.00 0.18 0.41 0.00 0.00 173.24 174.14 2wcv n LEU 95 N 3.33 0.00 0.00 2.44 4.77 -1.26 -4.75 117.00 121.53 2wcv n LEU 95 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2wcv n LEU 95 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2wcv n LEU 95 CO 0.39 0.00 0.05 0.00 -1.33 0.00 0.00 177.39 176.49 2wcv n GLN 96 N -0.40 0.00 -3.67 3.23 10.64 -1.26 -5.11 117.38 120.82 2wcv n GLN 96 Ca 0.00 -0.09 -0.12 0.00 -1.83 0.00 0.00 57.00 54.96 2wcv n GLN 96 Cb 0.00 -0.12 -0.08 0.00 -0.86 0.00 0.00 30.24 29.18 2wcv n GLN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2wcv s ALA 97 N 0.00 -1.48 0.71 2.61 0.00 -1.26 -5.00 121.76 117.34 2wcv s ALA 97 Ca 0.00 1.78 -0.16 0.00 0.00 0.00 0.00 51.96 53.57 2wcv s ALA 97 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2wcv s ALA 97 CO 0.00 -0.29 0.78 -2.30 0.00 0.00 0.00 175.76 173.94 2wcv n PRO 98 N 3.22 0.44 -4.63 0.00 -0.02 -1.26 -3.97 135.00 128.79 2wcv n PRO 98 Ca -0.16 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 2wcv n PRO 98 Cb 0.56 -2.04 -0.17 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.85 -0.36 0.53 0.00 0.02 -1.26 -5.01 135.00 129.76 2wcv s PRO 100 Ca -0.08 0.26 -0.18 0.00 0.02 0.00 0.00 61.00 61.02 2wcv s PRO 100 Cb -0.15 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2wcv s PRO 100 CO -0.01 -3.21 1.04 -0.51 -0.33 0.00 0.00 177.00 173.98 2wcv s ASP 101 N -3.61 6.17 -0.19 2.53 1.11 -1.26 -5.00 116.67 116.42 2wcv s ASP 101 Ca 0.68 1.85 -0.04 0.00 0.18 0.00 0.00 52.55 55.22 2wcv s ASP 101 Cb -0.15 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 2wcv s ASP 101 CO 0.57 -0.90 -0.02 -0.63 1.18 0.00 0.00 175.17 175.37 2wcv s ILE 102 N -2.21 3.84 0.35 0.77 1.01 -1.26 -4.37 121.20 119.34 2wcv s ILE 102 Ca 0.65 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 61.03 2wcv s ILE 102 Cb -0.16 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 2wcv s ILE 102 CO 0.27 0.45 0.07 0.27 0.00 0.00 0.00 174.94 176.00 2wcv s ILE 103 N 0.86 2.65 0.10 2.92 -4.36 -0.90 -4.98 121.20 117.50 2wcv s ILE 103 Ca 0.00 -1.86 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 2wcv s ILE 103 Cb -0.14 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.65 2wcv s ILE 103 CO 0.02 -0.16 -0.17 -0.13 0.24 0.00 0.00 174.94 174.74 2wcv s ARG 104 N -3.78 1.00 0.24 0.37 0.52 -1.26 -0.10 118.95 115.94 2wcv s ARG 104 Ca 0.36 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 2wcv s ARG 104 Cb 0.00 -1.11 -0.05 0.00 0.52 0.00 0.00 34.95 34.31 2wcv s ARG 104 CO 0.21 0.25 0.01 0.96 0.02 0.00 0.00 175.30 176.75 2wcv s ILE 105 N -1.37 0.97 0.68 1.52 -4.36 -0.46 -4.81 121.20 113.37 2wcv s ILE 105 Ca 0.04 -2.02 -0.17 0.00 -0.26 0.00 0.00 60.65 58.24 2wcv s ILE 105 Cb -0.09 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.24 2wcv s ILE 105 CO 0.03 -0.28 1.21 -3.20 0.24 0.00 0.00 174.94 172.95 2wcv n ASN 106 N -0.43 1.59 -0.07 4.36 5.15 -1.26 -0.99 115.26 123.60 2wcv n ASN 106 Ca -0.04 0.76 -0.07 0.00 -0.60 0.00 0.00 54.58 54.63 2wcv n ASN 106 Cb 0.64 -1.52 -0.01 0.00 -0.53 0.00 0.00 39.78 38.37 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 0.17 -0.08 -0.50 1.20 2.43 -1.93 0.35 114.38 116.01 2wcv h ARG 107 Ca -0.49 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2wcv h ARG 107 Cb 1.33 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2wcv h ARG 107 CO 0.51 -0.05 0.26 0.74 -1.51 0.00 0.00 179.97 179.91 2wcv h PHE 108 N -0.08 0.71 -0.90 2.20 0.04 -1.97 -1.05 116.94 115.88 2wcv h PHE 108 Ca 0.15 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.91 2wcv h PHE 108 Cb 0.31 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 2wcv h PHE 108 CO -0.33 0.54 0.60 0.00 -0.60 0.00 0.00 178.31 178.52 2wcv h ALA 109 N 1.10 1.15 -0.37 2.45 0.00 -1.74 -0.43 119.26 121.43 2wcv h ALA 109 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wcv h ALA 109 Cb 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2wcv h ALA 109 CO -0.03 0.54 0.21 0.35 0.00 0.00 0.00 179.25 180.32 2wcv h PHE 110 N 1.22 0.50 -0.42 0.00 3.57 0.17 -0.68 116.94 121.30 2wcv h PHE 110 Ca 0.33 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 2wcv h PHE 110 Cb -0.13 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2wcv h PHE 110 CO -0.01 0.38 0.20 1.88 -2.23 0.00 0.00 178.31 178.53 2wcv h TYR 111 N 0.47 0.60 -0.70 0.41 0.99 -0.61 0.47 116.97 118.60 2wcv h TYR 111 Ca 0.13 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 2wcv h TYR 111 Cb 0.04 -0.19 -0.03 0.00 1.00 0.00 0.00 36.73 37.55 2wcv h TYR 111 CO -0.03 0.49 0.38 0.93 -0.00 0.00 0.00 178.16 179.94 2wcv h GLU 112 N 0.53 0.96 -0.40 4.88 5.08 -0.91 0.20 114.58 124.93 2wcv h GLU 112 Ca 0.14 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2wcv h GLU 112 Cb 0.12 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2wcv h GLU 112 CO -0.02 0.71 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.30 2wcv h ARG 113 N 0.97 0.91 -0.35 2.33 9.65 -0.65 -2.94 114.38 124.31 2wcv h ARG 113 Ca 0.25 -0.45 -0.03 0.00 -1.10 0.00 0.00 59.98 58.65 2wcv h ARG 113 Cb 0.02 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2wcv h ARG 113 CO -0.04 1.10 0.11 0.00 2.80 0.00 0.00 179.97 183.94 2wcv h ALA 114 N 0.79 1.54 0.00 2.80 0.00 0.13 -1.93 119.26 122.60 2wcv h ALA 114 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wcv h ALA 114 Cb 0.89 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wcv h ALA 114 CO 0.08 0.35 -0.06 1.96 0.00 0.00 0.00 179.25 181.58 2wcv h GLN 115 N 0.49 0.00 -0.02 0.00 4.20 -0.47 -2.45 115.11 116.86 2wcv h GLN 115 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2wcv h GLN 115 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2wcv h GLN 115 CO -0.01 0.06 -0.25 1.63 -0.67 0.00 0.00 178.83 179.60 2wcv n LYS 116 N -3.25 1.60 -1.02 1.46 5.02 -0.77 -4.41 118.16 116.80 2wcv n LYS 116 Ca -0.01 -1.22 -0.32 0.00 -2.02 0.00 0.00 58.31 54.74 2wcv n LYS 116 Cb 0.28 -1.38 0.13 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.99 1.77 0.13 7.82 0.00 -0.92 -4.93 121.76 123.64 2wcv s ALA 117 Ca 0.19 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2wcv s ALA 117 Cb 0.16 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 2wcv s ALA 117 CO 0.40 -2.37 1.40 0.35 0.00 0.00 0.00 175.76 175.54 2wcv h PHE 118 N -1.21 1.07 -2.67 0.00 3.04 -1.42 -3.42 116.94 112.34 2wcv h PHE 118 Ca -0.45 -0.40 0.05 0.00 3.98 0.00 0.00 57.97 61.16 2wcv h PHE 118 Cb 1.28 -0.20 -0.13 0.00 2.56 0.00 0.00 35.95 39.47 2wcv h PHE 118 CO 0.49 1.22 0.34 0.00 -2.02 0.00 0.00 178.31 178.35 2wcv s ALA 119 N -4.06 -1.67 -0.08 2.41 0.00 -1.25 -4.25 121.76 112.85 2wcv s ALA 119 Ca -0.10 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2wcv s ALA 119 Cb 0.10 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2wcv s ALA 119 CO 0.89 -0.77 -0.10 0.42 0.00 0.00 0.00 175.76 176.20 2wcv s ILE 120 N -3.48 1.03 -0.43 0.00 1.01 -0.10 -2.38 121.20 116.85 2wcv s ILE 120 Ca 0.04 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 2wcv s ILE 120 Cb -0.01 -1.00 0.11 0.00 0.01 0.00 0.00 42.46 41.57 2wcv s ILE 120 CO -0.09 0.35 0.26 -0.69 0.00 0.00 0.00 174.94 174.77 2wcv s VAL 121 N 1.14 3.75 -0.22 2.92 1.01 0.76 -0.59 120.40 129.17 2wcv s VAL 121 Ca -0.06 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 2wcv s VAL 121 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2wcv s VAL 121 CO -0.02 -0.68 0.87 -0.51 0.00 0.00 0.00 175.10 174.76 2wcv s ILE 122 N 1.27 4.82 0.13 2.22 2.07 -0.62 -1.39 121.20 129.70 2wcv s ILE 122 Ca 0.06 1.67 0.02 0.00 -1.41 0.00 0.00 60.65 60.99 2wcv s ILE 122 Cb -0.24 -4.16 0.02 0.00 0.13 0.00 0.00 42.46 38.21 2wcv s ILE 122 CO -0.02 -0.06 0.13 0.35 -1.91 0.00 0.00 174.94 173.43 2wcv n THR 123 N 5.09 0.00 0.11 4.00 -2.24 -0.83 -0.75 114.28 119.65 2wcv n THR 123 Ca 0.06 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.42 2wcv n THR 123 Cb 0.48 -0.57 0.25 0.00 -2.10 0.00 0.00 70.33 68.38 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 3.40 1.83 3.66 3.38 0.00 0.71 -2.99 105.19 115.18 2wcv n GLY 124 Ca 0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2wcv n GLY 124 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wcv n GLU 125 N 0.77 2.87 -0.01 1.61 4.07 -1.23 -4.68 120.64 124.03 2wcv n GLU 125 Ca 0.18 1.05 -0.08 0.00 -0.06 0.00 0.00 57.16 58.25 2wcv n GLU 125 Cb 0.62 -3.01 -0.14 0.00 -0.06 0.00 0.00 31.44 28.85 2wcv n GLU 125 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wcv h ARG 126 N 10.61 0.00 -6.87 5.31 3.08 -1.95 0.59 114.38 125.15 2wcv h ARG 126 Ca -0.50 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.98 2wcv h ARG 126 Cb 1.24 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.45 2wcv h ARG 126 CO 0.94 0.51 0.19 0.00 -1.07 0.00 0.00 179.97 180.54 2wcv n ALA 127 N -2.53 0.34 -1.77 0.04 0.00 -1.26 -4.89 120.51 110.44 2wcv n ALA 127 Ca -0.15 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 2wcv n ALA 127 Cb 1.03 -2.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 2wcv n ALA 127 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wcv s LYS 128 N -2.84 4.59 -1.20 0.00 1.02 -1.26 -3.54 119.74 116.52 2wcv s LYS 128 Ca 0.77 1.55 -0.04 0.00 0.02 0.00 0.00 55.97 58.27 2wcv s LYS 128 Cb -0.41 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2wcv s LYS 128 CO 0.46 0.24 1.02 0.66 -0.92 0.00 0.00 175.35 176.81 2wcv n TYR 129 N 0.86 -2.36 1.07 3.18 4.02 -1.26 -4.68 117.16 118.00 2wcv n TYR 129 Ca 0.01 0.92 0.12 0.00 -0.01 0.00 0.00 57.90 58.93 2wcv n TYR 129 Cb 0.48 -4.86 0.33 0.00 -0.02 0.00 0.00 39.34 35.26 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 -1.48 0.64 3.76 2.72 0.00 -1.23 -4.72 105.19 104.89 2wcv n GLY 130 Ca -0.15 -0.55 -0.37 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 -1.76 5.83 -0.21 1.61 0.01 -1.26 -4.33 114.94 114.83 2wcv s ASN 131 Ca 0.34 2.40 -0.17 0.00 -0.71 0.00 0.00 52.86 54.72 2wcv s ASN 131 Cb 0.20 -2.61 0.06 0.00 0.41 0.00 0.00 41.25 39.31 2wcv s ASN 131 CO 0.30 -1.16 0.55 -0.51 -1.51 0.00 0.00 177.10 174.77 2wcv s ILE 132 N -1.52 -0.00 -0.12 0.60 2.07 -0.77 -3.89 121.20 117.57 2wcv s ILE 132 Ca 0.68 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.92 2wcv s ILE 132 Cb -0.31 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 2wcv s ILE 132 CO 0.37 0.01 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.11 2wcv s LEU 133 N 0.65 3.10 -0.11 8.50 0.20 0.28 -1.24 118.68 130.06 2wcv s LEU 133 Ca -0.03 -0.13 0.00 0.00 0.69 0.00 0.00 54.13 54.66 2wcv s LEU 133 Cb -0.05 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2wcv s LEU 133 CO -0.04 0.24 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.39 2wcv s LEU 134 N -0.10 2.86 -0.18 -0.68 1.02 0.75 -1.37 118.68 120.99 2wcv s LEU 134 Ca 0.01 -0.23 -0.04 0.00 0.02 0.00 0.00 54.13 53.89 2wcv s LEU 134 Cb -0.13 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 2wcv s LEU 134 CO 0.03 0.23 -0.03 -0.75 0.02 0.00 0.00 176.35 175.85 2wcv s LYS 135 N -0.04 3.60 0.33 1.70 2.20 -0.49 -0.71 119.74 126.33 2wcv s LYS 135 Ca -0.02 -0.54 -0.27 0.00 -0.36 0.00 0.00 55.97 54.78 2wcv s LYS 135 Cb -0.14 -2.96 -0.09 0.00 -1.51 0.00 0.00 37.83 33.13 2wcv s LYS 135 CO 0.04 0.11 1.06 0.21 -0.36 0.00 0.00 175.35 176.40 2wcv s LYS 136 N 0.72 4.43 0.00 4.03 2.20 0.08 -1.22 119.74 129.98 2wcv s LYS 136 Ca -0.02 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 2wcv s LYS 136 Cb -0.14 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2wcv s LYS 136 CO 0.02 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 2wcv n GLY 137 N 0.79 3.37 3.34 5.54 0.00 0.15 -1.37 105.19 117.01 2wcv n GLY 137 Ca 0.02 -2.06 -0.46 0.00 0.00 0.00 0.00 46.02 43.52 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 1.49 5.07 -0.09 1.61 1.01 -1.26 -4.32 120.40 123.92 2wcv s VAL 138 Ca 0.00 -1.35 -0.36 0.00 0.00 0.00 0.00 61.98 60.27 2wcv s VAL 138 Cb 0.00 -4.41 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 2wcv s VAL 138 CO 0.00 -0.98 1.76 0.41 0.00 0.00 0.00 175.10 176.29 2wcv n THR 139 N 5.31 0.38 0.00 3.92 -1.04 -1.26 -5.04 114.28 116.55 2wcv n THR 139 Ca -0.11 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2wcv n THR 139 Cb 0.41 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 2wcv n THR 139 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78