#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 2.37 0.41 -0.89 2.01 -1.26 -5.12 118.68 116.20 2wcv s LEU 2 Ca 0.00 -0.76 -0.23 0.00 0.01 0.00 0.00 54.13 53.15 2wcv s LEU 2 Cb 0.00 -0.37 -0.10 0.00 0.01 0.00 0.00 46.19 45.73 2wcv s LEU 2 CO 0.00 -0.21 1.00 -0.54 1.01 0.00 0.00 176.35 177.62 2wcv s LYS 3 N -2.50 4.18 0.00 1.70 1.02 -1.26 -3.36 119.74 119.51 2wcv s LYS 3 Ca 0.04 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.37 2wcv s LYS 3 Cb -0.05 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2wcv s LYS 3 CO 0.01 -0.10 0.00 0.25 -0.92 0.00 0.00 175.35 174.59 2wcv n THR 4 N -0.30 0.00 -4.56 2.17 -2.24 -1.26 -4.98 114.28 103.12 2wcv n THR 4 Ca 0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 2wcv n THR 4 Cb 0.51 -0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.40 1.00 0.04 2.28 1.01 -1.22 -5.10 121.20 116.81 2wcv s ILE 5 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 2wcv s ILE 5 Cb 0.00 -0.86 -0.10 0.00 0.01 0.00 0.00 42.46 41.51 2wcv s ILE 5 CO 0.00 0.29 1.91 -0.24 0.00 0.00 0.00 174.94 176.90 2wcv n SER 6 N 3.02 3.94 0.00 3.58 2.88 -1.26 -4.56 113.62 121.23 2wcv n SER 6 Ca -0.16 0.95 0.10 0.00 -1.33 0.00 0.00 58.87 58.43 2wcv n SER 6 Cb 0.55 -1.49 0.59 0.00 -0.75 0.00 0.00 64.21 63.10 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 6.70 0.52 0.23 -1.46 -0.04 -1.26 -2.27 135.00 137.42 2wcv n PRO 7 Ca 0.20 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2wcv n PRO 7 Cb 0.37 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.71 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 -8.86 1.53 4.07 -2.00 -3.42 115.31 106.63 2wcv h LEU 8 Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 2wcv h LEU 8 Cb 0.08 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.72 2wcv h LEU 8 CO 0.00 0.09 0.46 -0.63 -1.08 0.00 0.00 178.44 177.29 2wcv s ILE 9 N -3.42 4.71 0.69 1.22 1.01 -0.96 -5.04 121.20 119.41 2wcv s ILE 9 Ca 0.04 1.12 -0.15 0.00 0.00 0.00 0.00 60.65 61.66 2wcv s ILE 9 Cb 0.08 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2wcv s ILE 9 CO 0.63 -0.38 1.16 -0.94 0.00 0.00 0.00 174.94 175.40 2wcv s SER 10 N 1.75 4.67 0.24 3.58 1.04 -1.26 -4.78 113.70 118.93 2wcv s SER 10 Ca 0.34 2.18 -0.06 0.00 0.48 0.00 0.00 55.95 58.89 2wcv s SER 10 Cb -0.13 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.85 2wcv s SER 10 CO 0.15 -1.94 1.69 -0.65 0.98 0.00 0.00 173.24 173.48 2wcv h PRO 11 N -0.11 0.27 -0.46 4.02 0.11 -1.96 0.65 132.00 134.52 2wcv h PRO 11 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2wcv h PRO 11 Cb 1.27 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2wcv h PRO 11 CO 0.52 0.18 0.14 1.49 -0.21 0.00 0.00 178.00 180.12 2wcv h GLU 12 N 0.27 0.67 -0.34 1.05 4.57 -2.00 -1.83 114.58 116.99 2wcv h GLU 12 Ca 0.40 -0.11 -0.17 0.00 -1.18 0.00 0.00 59.36 58.30 2wcv h GLU 12 Cb 0.66 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2wcv h GLU 12 CO -0.49 0.59 -0.46 1.25 -1.18 0.00 0.00 179.01 178.72 2wcv h LEU 13 N 0.66 0.99 -0.55 1.64 5.85 -1.27 -1.77 115.31 120.87 2wcv h LEU 13 Ca 0.16 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.39 2wcv h LEU 13 Cb 0.20 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2wcv h LEU 13 CO -0.01 1.29 0.35 -0.07 -0.34 0.00 0.00 178.44 179.66 2wcv h LEU 14 N 0.71 0.59 -0.05 2.25 3.38 -0.80 0.29 115.31 121.69 2wcv h LEU 14 Ca 0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wcv h LEU 14 Cb 1.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2wcv h LEU 14 CO 0.11 0.42 -0.01 0.50 0.09 0.00 0.00 178.44 179.55 2wcv h LYS 15 N 0.70 0.01 0.07 1.13 3.64 -1.24 0.26 116.57 121.14 2wcv h LYS 15 Ca 0.21 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2wcv h LYS 15 Cb -0.04 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2wcv h LYS 15 CO -0.07 0.00 -0.13 0.28 -2.27 0.00 0.00 179.45 177.26 2wcv h VAL 16 N 0.01 0.68 -0.78 2.00 2.07 -0.87 0.18 116.25 119.55 2wcv h VAL 16 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2wcv h VAL 16 Cb 0.03 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2wcv h VAL 16 CO -0.04 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.99 2wcv h LEU 17 N -0.26 0.70 -0.26 2.57 3.38 -0.16 -1.62 115.31 119.66 2wcv h LEU 17 Ca 0.03 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2wcv h LEU 17 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wcv h LEU 17 CO -0.08 0.44 -0.89 0.00 0.09 0.00 0.00 178.44 177.99 2wcv h ALA 18 N 1.59 0.51 -0.01 1.53 0.00 -0.27 -3.22 119.26 119.39 2wcv h ALA 18 Ca 0.34 -0.74 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2wcv h ALA 18 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wcv h ALA 18 CO -0.12 0.94 -0.64 0.93 0.00 0.00 0.00 179.25 180.35 2wcv h GLU 19 N 0.10 0.03 -6.87 0.00 5.08 -0.05 -3.45 114.58 109.41 2wcv h GLU 19 Ca -0.04 -0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.74 2wcv h GLU 19 Cb 1.53 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.90 2wcv h GLU 19 CO 0.13 0.66 0.63 -1.33 -1.00 0.00 0.00 179.01 178.10 2wcv n MET 20 N -3.79 2.32 -1.46 2.33 2.81 -0.66 -5.02 117.12 113.65 2wcv n MET 20 Ca -0.01 0.82 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 2wcv n MET 20 Cb 0.63 -2.51 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 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 0.63 4.31 3.67 3.03 0.00 -1.26 -5.01 105.19 110.56 2wcv n GLY 21 Ca 0.04 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.26 2.02 0.00 1.61 5.65 -1.26 -1.97 115.29 121.08 2wcv s HIS 22 Ca 0.00 0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.42 2wcv s HIS 22 Cb 0.00 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 2wcv s HIS 22 CO 0.00 -4.22 0.00 0.41 -0.65 0.00 0.00 174.74 170.28 2wcv n GLY 23 N 4.16 1.77 3.76 1.59 0.00 0.69 -5.00 105.19 112.17 2wcv n GLY 23 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.66 6.00 -0.02 1.61 1.01 -0.83 -4.65 116.67 118.13 2wcv s ASP 24 Ca 0.00 2.61 0.06 0.00 0.71 0.00 0.00 52.55 55.93 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 -1.06 -0.21 -1.61 0.21 0.00 0.00 175.17 172.51 2wcv s GLU 25 N -2.52 2.22 -0.01 8.23 2.02 -1.26 -0.85 118.70 126.53 2wcv s GLU 25 Ca 0.62 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.78 2wcv s GLU 25 Cb -0.37 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 2wcv s GLU 25 CO 0.46 0.58 -0.10 -1.50 0.02 0.00 0.00 175.26 174.71 2wcv s ILE 26 N -0.71 0.80 -0.15 -1.63 2.07 -0.35 -0.17 121.20 121.06 2wcv s ILE 26 Ca 0.11 -0.43 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 2wcv s ILE 26 Cb -0.10 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 2wcv s ILE 26 CO 0.01 0.23 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.57 2wcv s ILE 27 N -0.22 3.64 -0.36 2.00 1.01 -0.69 -1.24 121.20 125.34 2wcv s ILE 27 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2wcv s ILE 27 Cb -0.04 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.93 2wcv s ILE 27 CO -0.00 0.50 0.13 -0.36 0.00 0.00 0.00 174.94 175.21 2wcv s PHE 28 N 0.34 3.41 0.34 3.97 0.40 -0.55 0.59 117.98 126.49 2wcv s PHE 28 Ca -0.06 -2.00 0.07 0.00 -0.60 0.00 0.00 56.93 54.34 2wcv s PHE 28 Cb -0.15 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.68 2wcv s PHE 28 CO 0.04 -0.87 0.38 -1.54 0.70 0.00 0.00 175.22 173.93 2wcv s SER 29 N 1.60 5.57 0.80 1.36 1.04 0.08 -1.92 113.70 122.23 2wcv s SER 29 Ca 0.02 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 2wcv s SER 29 Cb -0.21 -1.04 0.10 0.00 0.10 0.00 0.00 66.02 64.96 2wcv s SER 29 CO -0.01 -0.42 1.14 1.51 0.98 0.00 0.00 173.24 176.44 2wcv s ASP 30 N -4.09 4.35 0.57 7.02 1.47 -1.26 -1.80 116.67 122.93 2wcv s ASP 30 Ca 0.44 0.54 0.38 0.00 1.18 0.00 0.00 52.55 55.09 2wcv s ASP 30 Cb -0.07 -1.00 2.02 0.00 -0.34 0.00 0.00 42.92 43.53 2wcv s ASP 30 CO 0.29 -1.95 2.16 0.00 0.68 0.00 0.00 175.17 176.35 2wcv h ALA 31 N -0.99 1.00 -0.01 2.11 0.00 -0.55 -2.56 119.26 118.26 2wcv h ALA 31 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wcv h ALA 31 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wcv h ALA 31 CO 0.58 0.00 -0.46 0.72 0.00 0.00 0.00 179.25 180.09 2wcv n HIS 32 N -2.87 0.00 -1.97 0.00 8.25 -1.26 -4.97 115.22 112.39 2wcv n HIS 32 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2wcv n HIS 32 Cb 0.09 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.58 2.95 -0.89 4.41 5.36 -0.97 -4.87 117.98 121.39 2wcv s PHE 33 Ca 0.19 1.04 -0.07 0.00 -0.96 0.00 0.00 56.93 57.12 2wcv s PHE 33 Cb 0.18 -3.86 -0.13 0.00 -0.34 0.00 0.00 43.02 38.87 2wcv s PHE 33 CO 0.59 -2.76 2.84 -0.35 -1.46 0.00 0.00 175.22 174.08 2wcv n PRO 34 N 2.01 2.63 -0.31 10.12 -0.04 -1.26 -4.65 135.00 143.50 2wcv n PRO 34 Ca 0.06 -1.55 0.07 0.00 -0.04 0.00 0.00 63.50 62.03 2wcv n PRO 34 Cb 0.40 -2.41 0.22 0.00 -0.04 0.00 0.00 33.50 31.67 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 4.75 1.34 0.00 0.55 0.00 -1.94 -2.64 119.26 121.32 2wcv h ALA 35 Ca 0.54 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2wcv h ALA 35 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wcv h ALA 35 CO 1.17 0.02 0.00 0.72 0.00 0.00 0.00 179.25 181.16 2wcv n HIS 36 N -4.78 0.00 0.50 0.00 8.25 -1.26 -2.97 115.22 114.96 2wcv n HIS 36 Ca 0.17 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.72 2wcv n HIS 36 Cb 0.40 -0.39 0.11 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.39 2.70 0.08 0.41 3.41 -1.00 -4.49 113.62 113.34 2wcv n SER 37 Ca 0.08 -1.79 -0.21 0.00 -0.26 0.00 0.00 58.87 56.69 2wcv n SER 37 Cb 0.23 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.98 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 3.40 0.62 0.00 4.33 2.86 -1.58 -3.49 114.93 121.07 2wcv h MET 38 Ca 0.00 -0.78 0.00 0.00 -2.06 0.00 0.00 59.70 56.86 2wcv h MET 38 Cb 0.76 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2wcv h MET 38 CO 0.00 1.35 0.00 0.41 1.06 0.00 0.00 176.91 179.73 2wcv n GLY 39 N 1.29 3.23 3.67 8.32 0.00 -1.26 -4.34 105.19 116.10 2wcv n GLY 39 Ca -0.12 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 0.93 0.32 1.61 0.04 -1.26 -4.94 135.00 131.71 2wcv s PRO 40 Ca 0.00 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 2wcv s PRO 40 Cb 0.00 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.66 2wcv s PRO 40 CO 0.00 -2.56 1.17 0.94 0.04 0.00 0.00 177.00 176.59 2wcv n GLN 41 N -4.14 1.79 -5.20 4.56 7.27 -1.26 -4.70 117.38 115.70 2wcv n GLN 41 Ca 0.08 0.63 -0.32 0.00 0.07 0.00 0.00 57.00 57.46 2wcv n GLN 41 Cb 0.54 -2.12 -0.16 0.00 2.41 0.00 0.00 30.24 30.90 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 -1.09 2.23 -0.11 1.69 1.01 -1.26 -0.13 120.40 122.75 2wcv s VAL 42 Ca 0.57 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2wcv s VAL 42 Cb -0.62 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2wcv s VAL 42 CO 0.61 0.57 -0.23 -0.63 0.00 0.00 0.00 175.10 175.42 2wcv s ILE 43 N -0.26 2.02 0.01 2.22 1.01 0.33 -4.95 121.20 121.58 2wcv s ILE 43 Ca -0.01 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 2wcv s ILE 43 Cb -0.13 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 2wcv s ILE 43 CO 0.03 0.55 0.52 -0.13 0.00 0.00 0.00 174.94 175.91 2wcv s ARG 44 N 0.46 4.17 -0.35 2.79 1.81 -1.26 -1.54 118.95 125.03 2wcv s ARG 44 Ca -0.16 0.61 0.14 0.00 -1.72 0.00 0.00 55.73 54.60 2wcv s ARG 44 Cb -0.17 -3.29 0.41 0.00 -0.45 0.00 0.00 34.95 31.45 2wcv s ARG 44 CO 0.06 0.52 0.94 0.00 -0.68 0.00 0.00 175.30 176.15 2wcv n ALA 45 N 2.26 2.44 0.16 2.13 0.00 -0.10 -4.94 120.51 122.45 2wcv n ALA 45 Ca -0.10 -2.88 0.18 0.00 0.00 0.00 0.00 53.44 50.64 2wcv n ALA 45 Cb 0.51 -0.96 0.79 0.00 0.00 0.00 0.00 19.45 19.79 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 2.88 0.00 -0.15 0.00 3.32 -1.83 -1.13 116.42 119.51 2wcv h ASP 46 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2wcv h ASP 46 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2wcv h ASP 46 CO 0.41 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 2wcv n GLY 47 N -1.45 0.37 3.60 2.75 0.00 -1.26 -3.42 105.19 105.78 2wcv n GLY 47 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.66 3.02 0.23 0.99 1.43 -0.43 -4.91 118.68 117.34 2wcv s LEU 48 Ca 0.34 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2wcv s LEU 48 Cb 0.19 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2wcv s LEU 48 CO 0.28 -0.03 0.29 -0.76 0.23 0.00 0.00 176.35 176.36 2wcv s LEU 49 N -3.65 4.14 0.23 1.79 2.01 -1.26 0.61 118.68 122.56 2wcv s LEU 49 Ca 0.32 -0.02 -0.08 0.00 0.01 0.00 0.00 54.13 54.36 2wcv s LEU 49 Cb -0.05 -2.69 0.24 0.00 0.01 0.00 0.00 46.19 43.69 2wcv s LEU 49 CO 0.19 -0.04 1.89 0.58 1.01 0.00 0.00 176.35 179.98 2wcv h VAL 50 N 1.38 1.18 -0.52 -1.59 2.07 -1.91 -2.12 116.25 114.74 2wcv h VAL 50 Ca -0.50 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2wcv h VAL 50 Cb 1.23 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2wcv h VAL 50 CO 0.62 0.21 0.34 0.77 0.02 0.00 0.00 177.57 179.53 2wcv h SER 51 N 1.14 0.49 0.45 0.57 4.64 -1.95 -0.43 113.55 118.46 2wcv h SER 51 Ca 0.33 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2wcv h SER 51 Cb -0.07 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2wcv h SER 51 CO -0.09 0.34 -0.21 0.44 -0.87 0.00 0.00 176.83 176.43 2wcv h ASP 52 N 0.57 -0.51 -0.67 4.97 3.32 -1.78 -2.23 116.42 120.10 2wcv h ASP 52 Ca 0.21 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2wcv h ASP 52 Cb 0.13 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2wcv h ASP 52 CO -0.06 -0.30 0.34 -0.07 -1.72 0.00 0.00 179.24 177.44 2wcv h LEU 53 N -0.68 0.85 -0.52 1.55 4.07 -1.34 -1.34 115.31 117.90 2wcv h LEU 53 Ca -0.06 -0.11 0.07 0.00 0.08 0.00 0.00 57.88 57.85 2wcv h LEU 53 Cb 0.50 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 2wcv h LEU 53 CO 0.10 0.72 0.21 -0.07 -1.08 0.00 0.00 178.44 178.32 2wcv h LEU 54 N 0.92 0.24 -0.79 1.67 4.07 -1.03 0.28 115.31 120.67 2wcv h LEU 54 Ca 0.23 0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.12 2wcv h LEU 54 Cb 0.08 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2wcv h LEU 54 CO -0.03 0.17 -0.59 -0.61 -1.08 0.00 0.00 178.44 176.30 2wcv h GLN 55 N 0.40 0.00 -0.03 1.13 4.15 -1.15 -1.98 115.11 117.63 2wcv h GLN 55 Ca 0.25 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.49 2wcv h GLN 55 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2wcv h GLN 55 CO -0.23 0.59 -0.77 0.00 -1.93 0.00 0.00 178.83 176.49 2wcv h ALA 56 N 1.41 0.65 0.00 3.38 0.00 -0.42 -3.35 119.26 120.93 2wcv h ALA 56 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2wcv h ALA 56 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wcv h ALA 56 CO 0.08 0.84 -1.57 0.44 0.00 0.00 0.00 179.25 179.04 2wcv n ILE 57 N -3.74 0.22 0.10 0.00 -6.64 0.01 -4.48 119.36 104.84 2wcv n ILE 57 Ca -0.03 -0.49 0.05 0.00 -1.77 0.00 0.00 62.75 60.51 2wcv n ILE 57 Cb 0.73 -0.08 0.48 0.00 -1.44 0.00 0.00 39.64 39.33 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 1.09 0.00 7.28 6.09 -1.49 0.18 117.51 130.66 2wcv h ILE 58 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 2wcv h ILE 58 Cb 0.97 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.07 2wcv h ILE 58 CO 0.00 0.11 0.00 -0.81 -3.07 0.00 0.00 178.15 174.38 2wcv n PRO 59 N -4.45 0.20 -0.01 2.19 -0.04 -1.26 -3.17 135.00 128.46 2wcv n PRO 59 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2wcv n PRO 59 Cb 0.12 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.35 0.00 -4.34 1.53 4.32 -0.50 -4.97 117.00 111.70 2wcv n LEU 60 Ca 0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.66 2wcv n LEU 60 Cb 0.18 0.07 -0.11 0.00 -1.62 0.00 0.00 43.42 41.94 2wcv n LEU 60 CO 0.16 0.07 -0.14 0.12 -1.22 0.00 0.00 177.39 176.38 2wcv s PHE 61 N -2.29 3.27 0.06 -1.77 5.36 0.51 -5.07 117.98 118.05 2wcv s PHE 61 Ca -0.03 -1.15 -0.30 0.00 -0.96 0.00 0.00 56.93 54.49 2wcv s PHE 61 Cb 0.03 -2.62 -0.05 0.00 -0.34 0.00 0.00 43.02 40.04 2wcv s PHE 61 CO 0.24 -0.72 1.01 -2.00 -1.46 0.00 0.00 175.22 172.29 2wcv s GLU 62 N 1.51 4.60 0.10 10.12 2.56 -1.26 -4.71 118.70 131.61 2wcv s GLU 62 Ca 0.02 1.50 -0.22 0.00 0.00 0.00 0.00 54.97 56.27 2wcv s GLU 62 Cb -0.21 -3.40 -0.07 0.00 2.00 0.00 0.00 34.13 32.45 2wcv s GLU 62 CO 0.05 0.03 0.67 -0.51 -0.56 0.00 0.00 175.26 174.95 2wcv s LEU 63 N 0.52 4.53 0.58 2.70 1.43 -1.26 -0.68 118.68 126.50 2wcv s LEU 63 Ca 0.51 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.82 2wcv s LEU 63 Cb -0.24 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2wcv s LEU 63 CO 0.29 0.20 1.21 -0.67 0.23 0.00 0.00 176.35 177.61 2wcv n ASP 64 N 1.91 1.89 0.00 2.29 -0.08 0.21 -4.18 116.55 118.59 2wcv n ASP 64 Ca -0.07 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 2wcv n ASP 64 Cb 0.50 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 42.46 2wcv n ASP 64 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2wcv n SER 65 N -1.04 0.47 -0.59 1.67 3.41 -1.26 -4.21 113.62 112.07 2wcv n SER 65 Ca 0.13 -0.75 0.12 0.00 -0.26 0.00 0.00 58.87 58.11 2wcv n SER 65 Cb 0.46 0.34 0.41 0.00 -0.26 0.00 0.00 64.21 65.15 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 -0.34 0.14 -3.57 7.33 4.02 -1.26 -4.92 117.16 118.56 2wcv n TYR 66 Ca 0.00 -0.07 -0.05 0.00 -0.01 0.00 0.00 57.90 57.77 2wcv n TYR 66 Cb 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 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 -1.86 -1.99 -0.23 -0.72 0.00 -1.26 -5.11 121.76 110.58 2wcv s ALA 67 Ca 0.35 1.38 -0.34 0.00 0.00 0.00 0.00 51.96 53.34 2wcv s ALA 67 Cb 0.19 0.07 -0.11 0.00 0.00 0.00 0.00 23.12 23.28 2wcv s ALA 67 CO 0.30 -0.64 2.06 -0.35 0.00 0.00 0.00 175.76 177.12 2wcv n PRO 68 N -0.15 1.62 0.20 0.00 -0.04 -1.26 -4.77 135.00 130.58 2wcv n PRO 68 Ca -0.03 0.52 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 2wcv n PRO 68 Cb 0.59 -2.64 0.28 0.00 -0.04 0.00 0.00 33.50 31.70 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 11.41 0.00 -4.72 0.54 0.13 -1.88 -3.45 132.00 134.04 2wcv h PRO 69 Ca -0.38 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.18 2wcv h PRO 69 Cb 1.29 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.08 2wcv h PRO 69 CO 0.98 0.28 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.69 2wcv s LEU 70 N -6.58 1.71 -0.04 1.56 1.43 -1.26 -1.23 118.68 114.28 2wcv s LEU 70 Ca 0.03 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2wcv s LEU 70 Cb 0.09 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.32 2wcv s LEU 70 CO 0.67 0.03 -0.01 -0.69 0.23 0.00 0.00 176.35 176.59 2wcv s VAL 71 N 0.82 0.24 0.51 -1.59 1.01 -0.43 -2.50 120.40 118.46 2wcv s VAL 71 Ca -0.11 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2wcv s VAL 71 Cb -0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2wcv s VAL 71 CO 0.01 0.17 0.02 -0.04 0.00 0.00 0.00 175.10 175.26 2wcv s MET 72 N 1.11 2.20 -0.18 2.72 -1.94 -0.38 0.64 119.30 123.47 2wcv s MET 72 Ca -0.08 -2.42 -0.13 0.00 -1.71 0.00 0.00 55.69 51.35 2wcv s MET 72 Cb -0.14 -1.42 -0.05 0.00 2.01 0.00 0.00 34.83 35.24 2wcv s MET 72 CO -0.02 -0.41 0.24 1.41 -0.01 0.00 0.00 175.02 176.23 2wcv s MET 73 N -3.87 4.23 0.45 2.03 1.75 -1.25 -1.65 119.30 120.98 2wcv s MET 73 Ca 0.04 -0.02 -0.21 0.00 -1.25 0.00 0.00 55.69 54.26 2wcv s MET 73 Cb 0.01 -3.43 -0.10 0.00 2.84 0.00 0.00 34.83 34.15 2wcv s MET 73 CO 0.03 0.24 0.99 0.00 -0.65 0.00 0.00 175.02 175.62 2wcv s ALA 74 N 0.49 2.97 0.42 4.11 0.00 -0.36 -4.85 121.76 124.54 2wcv s ALA 74 Ca 0.14 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 2wcv s ALA 74 Cb -0.12 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2wcv s ALA 74 CO 0.02 -0.06 1.23 0.00 0.00 0.00 0.00 175.76 176.95 2wcv s ALA 75 N -2.08 3.15 0.67 0.00 0.00 -1.26 -4.30 121.76 117.93 2wcv s ALA 75 Ca 0.64 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.53 2wcv s ALA 75 Cb -0.12 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2wcv s ALA 75 CO 0.16 -0.71 1.14 0.14 0.00 0.00 0.00 175.76 176.49 2wcv s VAL 76 N -1.36 2.97 0.26 0.00 -7.23 -1.26 -4.88 120.40 108.90 2wcv s VAL 76 Ca 0.59 0.47 -0.31 0.00 -1.81 0.00 0.00 61.98 60.92 2wcv s VAL 76 Cb -0.34 -3.01 -0.13 0.00 0.56 0.00 0.00 36.38 33.47 2wcv s VAL 76 CO 0.43 -0.26 1.48 1.21 -0.31 0.00 0.00 175.10 177.65 2wcv n GLU 77 N -2.40 2.30 0.00 4.82 2.13 -1.26 -1.27 120.64 124.96 2wcv n GLU 77 Ca 0.11 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.75 2wcv n GLU 77 Cb 0.51 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 2.12 2.96 3.91 8.31 0.00 -1.26 -5.02 105.19 116.22 2wcv n GLY 78 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2wcv n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wcv s ASP 79 N 0.14 5.64 0.14 1.61 2.15 -0.40 -5.10 116.67 120.86 2wcv s ASP 79 Ca 0.00 0.80 0.09 0.00 0.43 0.00 0.00 52.55 53.86 2wcv s ASP 79 Cb 0.00 -1.79 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 2wcv s ASP 79 CO 0.00 -1.06 -0.20 -0.89 -0.17 0.00 0.00 175.17 172.86 2wcv s THR 80 N -3.02 1.80 0.01 1.71 2.01 -1.26 -4.74 115.64 112.15 2wcv s THR 80 Ca 0.54 -1.77 -0.12 0.00 0.31 0.00 0.00 61.69 60.65 2wcv s THR 80 Cb -0.11 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 2wcv s THR 80 CO 0.46 -0.20 0.38 -0.76 -0.69 0.00 0.00 174.62 173.81 2wcv s LEU 81 N -2.35 4.43 -0.39 4.42 1.02 -1.26 -5.01 118.68 119.53 2wcv s LEU 81 Ca 0.12 0.86 -0.29 0.00 0.02 0.00 0.00 54.13 54.84 2wcv s LEU 81 Cb -0.08 -2.66 0.02 0.00 0.02 0.00 0.00 46.19 43.49 2wcv s LEU 81 CO 0.06 0.28 1.22 -0.62 0.02 0.00 0.00 176.35 177.31 2wcv s ASP 82 N -1.30 6.64 0.46 2.29 -1.08 -1.26 -4.91 116.67 117.52 2wcv s ASP 82 Ca 0.26 0.82 0.16 0.00 -0.52 0.00 0.00 52.55 53.27 2wcv s ASP 82 Cb -0.15 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.89 2wcv s ASP 82 CO 0.14 -1.18 2.00 1.55 0.52 0.00 0.00 175.17 178.20 2wcv h PRO 83 N 9.32 0.28 -0.19 4.34 0.13 -1.98 -2.74 132.00 141.15 2wcv h PRO 83 Ca -0.24 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 2wcv h PRO 83 Cb 1.08 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2wcv h PRO 83 CO 1.08 0.19 -0.19 1.49 -0.23 0.00 0.00 178.00 180.33 2wcv h GLU 84 N 0.29 0.33 0.72 0.86 4.22 -2.01 -3.34 114.58 115.64 2wcv h GLU 84 Ca 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 59.36 59.55 2wcv h GLU 84 Cb 0.59 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.81 2wcv h GLU 84 CO -0.05 0.51 -0.34 0.28 -2.18 0.00 0.00 179.01 177.23 2wcv h VAL 85 N 0.30 0.30 -0.65 0.32 2.07 -1.89 -2.27 116.25 114.43 2wcv h VAL 85 Ca 0.05 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2wcv h VAL 85 Cb 0.52 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2wcv h VAL 85 CO 0.03 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 177.93 2wcv h GLU 86 N -0.96 0.88 -0.42 1.57 4.81 -1.74 -1.56 114.58 117.15 2wcv h GLU 86 Ca -0.10 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 2wcv h GLU 86 Cb 0.74 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2wcv h GLU 86 CO 0.16 0.62 -0.28 0.07 -0.73 0.00 0.00 179.01 178.85 2wcv h ARG 87 N 0.89 0.94 -0.86 1.92 0.11 -1.67 -1.82 114.38 113.90 2wcv h ARG 87 Ca 0.23 -0.45 -0.00 0.00 0.10 0.00 0.00 59.98 59.86 2wcv h ARG 87 Cb -0.03 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.00 2wcv h ARG 87 CO -0.04 1.11 0.52 -0.09 0.10 0.00 0.00 179.97 181.57 2wcv h ARG 88 N 0.77 1.17 -0.42 0.08 2.43 -0.95 -1.76 114.38 115.71 2wcv h ARG 88 Ca 0.08 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2wcv h ARG 88 Cb 0.87 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2wcv h ARG 88 CO 0.08 0.82 -0.18 1.88 -1.51 0.00 0.00 179.97 181.06 2wcv h TYR 89 N 1.19 0.98 -0.55 2.20 -1.99 -1.12 -2.43 116.97 115.26 2wcv h TYR 89 Ca 0.31 -0.24 0.03 0.00 2.00 0.00 0.00 58.73 60.84 2wcv h TYR 89 Cb -0.05 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.41 2wcv h TYR 89 CO -0.00 1.00 0.31 0.00 -0.00 0.00 0.00 178.16 179.48 2wcv h ARG 90 N 0.67 0.60 -0.51 4.88 3.08 -1.02 0.40 114.38 122.47 2wcv h ARG 90 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wcv h ARG 90 Cb 0.73 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2wcv h ARG 90 CO 0.06 0.39 0.30 -0.91 -1.07 0.00 0.00 179.97 178.74 2wcv h ASN 91 N 0.61 0.62 0.00 7.04 2.35 -1.24 -0.55 115.58 124.42 2wcv h ASN 91 Ca 0.23 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 2wcv h ASN 91 Cb 0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2wcv h ASN 91 CO -0.12 0.51 -0.16 0.00 -1.65 0.00 0.00 177.43 176.00 2wcv h ALA 92 N 1.14 1.38 0.00 -0.83 0.00 -0.92 -3.07 119.26 116.96 2wcv h ALA 92 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wcv h ALA 92 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wcv h ALA 92 CO -0.03 0.43 -0.48 -0.07 0.00 0.00 0.00 179.25 179.09 2wcv h LEU 93 N 0.29 0.00 -6.92 0.00 3.38 -0.44 -3.30 115.31 108.32 2wcv h LEU 93 Ca 0.05 -0.00 -0.80 0.00 0.09 0.00 0.00 57.88 57.22 2wcv h LEU 93 Cb 0.47 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.93 2wcv h LEU 93 CO 0.03 0.00 0.70 -1.54 0.09 0.00 0.00 178.44 177.72 2wcv n SER 94 N -2.89 6.26 -0.09 -0.43 3.41 -0.26 -4.54 113.62 115.08 2wcv n SER 94 Ca 0.02 -3.40 -0.12 0.00 -0.26 0.00 0.00 58.87 55.12 2wcv n SER 94 Cb 0.54 -1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.20 2wcv n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wcv n LEU 95 N 1.37 1.91 0.00 1.04 4.77 -1.26 -4.79 117.00 120.04 2wcv n LEU 95 Ca 0.26 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 2wcv n LEU 95 Cb 0.34 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2wcv n LEU 95 CO 0.70 -0.16 0.06 0.00 -1.33 0.00 0.00 177.39 176.66 2wcv n GLN 96 N -4.46 0.00 -3.88 3.23 6.02 -1.26 -4.93 117.38 112.10 2wcv n GLN 96 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.59 2wcv n GLN 96 Cb 0.53 -0.58 -0.02 0.00 1.02 0.00 0.00 30.24 31.19 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 -3.44 3.97 0.81 -1.58 0.00 -1.26 -5.06 121.76 115.19 2wcv s ALA 97 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 2wcv s ALA 97 Cb 0.00 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.43 2wcv s ALA 97 CO 0.00 0.19 0.92 -0.35 0.00 0.00 0.00 175.76 176.52 2wcv n PRO 98 N -1.46 0.15 -2.53 0.00 -0.04 -1.26 -4.55 135.00 125.31 2wcv n PRO 98 Ca -0.08 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 2wcv n PRO 98 Cb 0.57 -2.20 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 2wcv n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wcv s PRO 100 N -2.45 1.86 0.72 0.00 0.02 -1.26 -5.01 135.00 128.88 2wcv s PRO 100 Ca 0.57 0.38 -0.14 0.00 0.02 0.00 0.00 61.00 61.83 2wcv s PRO 100 Cb -0.23 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.41 2wcv s PRO 100 CO 0.29 -1.72 1.14 -0.51 -0.33 0.00 0.00 177.00 175.86 2wcv s ASP 101 N -4.16 4.53 -0.03 2.53 1.11 -1.26 -4.99 116.67 114.41 2wcv s ASP 101 Ca 0.62 2.10 0.05 0.00 0.18 0.00 0.00 52.55 55.49 2wcv s ASP 101 Cb -0.13 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 2wcv s ASP 101 CO 0.52 -2.02 -0.16 -0.63 1.18 0.00 0.00 175.17 174.06 2wcv s ILE 102 N -2.34 2.94 -0.01 0.77 1.01 -1.26 -4.41 121.20 117.90 2wcv s ILE 102 Ca 0.68 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 60.56 2wcv s ILE 102 Cb -0.23 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2wcv s ILE 102 CO 0.46 0.54 -0.20 -0.51 0.00 0.00 0.00 174.94 175.23 2wcv s ILE 103 N -0.76 1.57 -0.02 2.92 -1.16 -1.04 -4.99 121.20 117.72 2wcv s ILE 103 Ca 0.12 -0.90 -0.01 0.00 -0.51 0.00 0.00 60.65 59.36 2wcv s ILE 103 Cb -0.11 -1.32 -0.04 0.00 0.61 0.00 0.00 42.46 41.61 2wcv s ILE 103 CO 0.01 0.41 0.08 -0.13 -2.81 0.00 0.00 174.94 172.50 2wcv s ARG 104 N -0.57 3.08 0.18 3.50 0.52 -1.26 -1.25 118.95 123.16 2wcv s ARG 104 Ca 0.08 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.90 2wcv s ARG 104 Cb -0.08 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2wcv s ARG 104 CO -0.00 0.66 -0.15 0.96 0.02 0.00 0.00 175.30 176.79 2wcv s ILE 105 N -1.16 1.67 0.84 1.52 -4.36 -0.66 -4.81 121.20 114.23 2wcv s ILE 105 Ca 0.22 -2.10 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 2wcv s ILE 105 Cb -0.12 -1.94 0.10 0.00 1.25 0.00 0.00 42.46 41.75 2wcv s ILE 105 CO 0.12 -0.54 1.17 0.54 0.24 0.00 0.00 174.94 176.48 2wcv s ASN 106 N -3.11 3.47 0.25 4.36 2.20 -1.26 -1.22 114.94 119.64 2wcv s ASN 106 Ca 0.19 2.26 -0.05 0.00 -0.94 0.00 0.00 52.86 54.32 2wcv s ASN 106 Cb -0.02 -2.58 0.48 0.00 -2.00 0.00 0.00 41.25 37.14 2wcv s ASN 106 CO 0.06 -2.74 1.66 -0.09 -2.94 0.00 0.00 177.10 173.05 2wcv h ARG 107 N -1.21 0.18 -0.00 3.55 2.43 -1.94 -0.98 114.38 116.41 2wcv h ARG 107 Ca -0.45 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2wcv h ARG 107 Cb 1.28 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2wcv h ARG 107 CO 0.45 0.12 0.00 0.74 -1.51 0.00 0.00 179.97 179.77 2wcv h PHE 108 N 0.18 0.00 -0.65 2.20 0.04 -1.97 -1.72 116.94 115.02 2wcv h PHE 108 Ca 0.43 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.24 2wcv h PHE 108 Cb 0.77 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.88 2wcv h PHE 108 CO -0.33 0.16 0.43 0.00 -0.60 0.00 0.00 178.31 177.96 2wcv h ALA 109 N 0.85 1.67 -0.23 2.45 0.00 -1.79 0.60 119.26 122.80 2wcv h ALA 109 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wcv h ALA 109 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wcv h ALA 109 CO -0.00 0.26 0.09 0.35 0.00 0.00 0.00 179.25 179.95 2wcv h PHE 110 N 0.75 0.35 -0.74 0.00 3.57 -0.79 -0.57 116.94 119.50 2wcv h PHE 110 Ca 0.26 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2wcv h PHE 110 Cb 0.11 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2wcv h PHE 110 CO -0.00 0.38 0.48 1.88 -2.23 0.00 0.00 178.31 178.82 2wcv h TYR 111 N 0.22 0.90 -0.67 0.41 0.99 -0.39 -0.46 116.97 117.97 2wcv h TYR 111 Ca 0.08 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.92 2wcv h TYR 111 Cb 0.18 -0.30 -0.07 0.00 1.00 0.00 0.00 36.73 37.54 2wcv h TYR 111 CO -0.01 0.53 0.31 1.49 -0.00 0.00 0.00 178.16 180.49 2wcv h GLU 112 N 0.95 0.53 -0.65 4.88 4.81 -0.36 0.43 114.58 125.17 2wcv h GLU 112 Ca 0.29 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2wcv h GLU 112 Cb -0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2wcv h GLU 112 CO -0.09 0.35 0.07 0.00 -0.73 0.00 0.00 179.01 178.61 2wcv h ARG 113 N 0.55 1.10 -0.13 1.92 2.47 -0.25 -3.03 114.38 117.01 2wcv h ARG 113 Ca 0.33 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2wcv h ARG 113 Cb 0.34 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2wcv h ARG 113 CO -0.27 1.03 -0.06 0.00 0.56 0.00 0.00 179.97 181.24 2wcv h ALA 114 N 1.04 1.66 0.00 0.04 0.00 0.61 -2.32 119.26 120.30 2wcv h ALA 114 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wcv h ALA 114 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2wcv h ALA 114 CO 0.02 0.25 -0.23 1.96 0.00 0.00 0.00 179.25 181.25 2wcv h GLN 115 N 0.19 0.00 -0.43 0.00 4.20 -0.92 -2.86 115.11 115.29 2wcv h GLN 115 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wcv h GLN 115 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2wcv h GLN 115 CO 0.01 0.23 0.00 1.63 -0.67 0.00 0.00 178.83 180.03 2wcv n LYS 116 N -4.14 2.95 -1.54 1.46 5.02 -0.91 -4.23 118.16 116.77 2wcv n LYS 116 Ca -0.02 -2.34 -0.31 0.00 -2.02 0.00 0.00 58.31 53.63 2wcv n LYS 116 Cb 0.30 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.32 2.50 0.11 7.82 0.00 -0.97 -4.94 121.76 124.97 2wcv s ALA 117 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 2wcv s ALA 117 Cb 0.19 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 2wcv s ALA 117 CO 0.19 -1.43 1.51 0.35 0.00 0.00 0.00 175.76 176.37 2wcv h PHE 118 N -0.87 0.78 -2.93 0.00 3.04 -0.90 -3.44 116.94 112.62 2wcv h PHE 118 Ca -0.45 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.32 2wcv h PHE 118 Cb 1.23 -0.19 -0.12 0.00 2.56 0.00 0.00 35.95 39.43 2wcv h PHE 118 CO 0.56 0.86 0.24 0.00 -2.02 0.00 0.00 178.31 177.95 2wcv s ALA 119 N -4.74 -1.62 -0.12 2.41 0.00 -1.25 -4.36 121.76 112.08 2wcv s ALA 119 Ca -0.13 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2wcv s ALA 119 Cb 0.09 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.08 2wcv s ALA 119 CO 0.80 -0.76 -0.11 0.42 0.00 0.00 0.00 175.76 176.11 2wcv s ILE 120 N -3.68 1.27 -0.38 0.00 1.01 0.81 -1.70 121.20 118.54 2wcv s ILE 120 Ca 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2wcv s ILE 120 Cb -0.01 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.27 2wcv s ILE 120 CO -0.13 0.41 0.20 -0.69 0.00 0.00 0.00 174.94 174.73 2wcv s VAL 121 N 1.50 4.34 -0.24 2.92 1.01 0.20 -0.52 120.40 129.62 2wcv s VAL 121 Ca 0.03 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 2wcv s VAL 121 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2wcv s VAL 121 CO -0.08 -0.28 0.34 -0.51 0.00 0.00 0.00 175.10 174.57 2wcv s ILE 122 N 1.50 5.22 0.00 2.22 2.07 -0.59 -0.74 121.20 130.88 2wcv s ILE 122 Ca 0.01 0.55 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 2wcv s ILE 122 Cb -0.20 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.72 2wcv s ILE 122 CO 0.05 0.23 0.00 0.35 -1.91 0.00 0.00 174.94 173.66 2wcv n THR 123 N 4.67 0.00 -0.43 4.00 -2.24 -0.75 -0.93 114.28 118.61 2wcv n THR 123 Ca -0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.78 2wcv n THR 123 Cb 0.51 -0.87 0.34 0.00 -2.10 0.00 0.00 70.33 68.20 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 5.00 2.51 3.61 3.38 0.00 0.20 -3.07 105.19 116.82 2wcv n GLY 124 Ca 0.00 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 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 1.24 2.12 0.13 1.61 4.07 -1.21 -4.67 120.64 123.92 2wcv n GLU 125 Ca 0.25 0.68 0.12 0.00 -0.06 0.00 0.00 57.16 58.14 2wcv n GLU 125 Cb 0.78 -3.00 0.05 0.00 -0.06 0.00 0.00 31.44 29.22 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 12.74 0.00 -7.02 5.31 2.47 -1.94 0.19 114.38 126.13 2wcv h ARG 126 Ca -0.43 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.75 2wcv h ARG 126 Cb 1.26 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 29.69 2wcv h ARG 126 CO 0.96 0.00 0.61 0.00 0.56 0.00 0.00 179.97 182.10 2wcv s ALA 127 N -3.31 2.97 0.43 0.04 0.00 -1.26 -4.93 121.76 115.69 2wcv s ALA 127 Ca 0.02 1.29 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 2wcv s ALA 127 Cb 0.09 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2wcv s ALA 127 CO 0.75 -1.17 1.03 0.21 0.00 0.00 0.00 175.76 176.59 2wcv s LYS 128 N -2.72 4.06 -1.43 0.00 2.20 -1.26 -3.47 119.74 117.11 2wcv s LYS 128 Ca 0.67 1.42 -0.10 0.00 -0.36 0.00 0.00 55.97 57.60 2wcv s LYS 128 Cb -0.39 -2.36 0.04 0.00 -1.51 0.00 0.00 37.83 33.61 2wcv s LYS 128 CO 0.47 -0.22 1.06 0.66 -0.36 0.00 0.00 175.35 176.96 2wcv n TYR 129 N -0.41 -2.54 0.09 4.03 4.02 -1.26 -4.62 117.16 116.48 2wcv n TYR 129 Ca 0.07 0.95 0.07 0.00 -0.01 0.00 0.00 57.90 58.98 2wcv n TYR 129 Cb 0.51 -4.52 0.25 0.00 -0.02 0.00 0.00 39.34 35.56 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 -1.80 1.87 3.78 2.72 0.00 -1.23 -4.76 105.19 105.77 2wcv n GLY 130 Ca -0.01 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.79 7.34 -0.15 1.61 0.01 -1.26 -4.14 114.94 117.56 2wcv s ASN 131 Ca 0.35 1.74 -0.14 0.00 -0.71 0.00 0.00 52.86 54.11 2wcv s ASN 131 Cb 0.22 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.38 2wcv s ASN 131 CO 0.17 0.03 0.40 -0.51 -1.51 0.00 0.00 177.10 175.69 2wcv s ILE 132 N -1.45 0.00 -0.14 0.60 2.07 -0.81 -3.95 121.20 117.52 2wcv s ILE 132 Ca 0.45 -0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.65 2wcv s ILE 132 Cb -0.20 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 2wcv s ILE 132 CO 0.25 -0.00 -0.02 -0.22 -1.91 0.00 0.00 174.94 173.03 2wcv s LEU 133 N 0.19 3.35 -0.06 8.50 0.20 0.21 -1.48 118.68 129.59 2wcv s LEU 133 Ca -0.00 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.79 2wcv s LEU 133 Cb -0.03 -1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 2wcv s LEU 133 CO 0.01 0.22 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.38 2wcv s LEU 134 N 0.07 2.72 -0.11 -0.68 1.02 -0.37 -1.31 118.68 120.02 2wcv s LEU 134 Ca 0.01 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 53.96 2wcv s LEU 134 Cb -0.13 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 2wcv s LEU 134 CO 0.02 0.32 -0.21 -0.75 0.02 0.00 0.00 176.35 175.75 2wcv s LYS 135 N -0.56 3.12 0.33 1.70 2.20 -0.37 -1.20 119.74 124.96 2wcv s LYS 135 Ca 0.08 -0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 54.62 2wcv s LYS 135 Cb -0.11 -2.39 -0.10 0.00 -1.51 0.00 0.00 37.83 33.71 2wcv s LYS 135 CO 0.01 0.20 0.92 0.21 -0.36 0.00 0.00 175.35 176.33 2wcv s LYS 136 N 0.31 4.49 0.00 4.03 2.20 -0.03 -0.62 119.74 130.11 2wcv s LYS 136 Ca -0.16 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2wcv s LYS 136 Cb -0.17 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2wcv s LYS 136 CO 0.08 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 2wcv n GLY 137 N 0.39 3.32 3.51 5.54 0.00 0.14 -0.22 105.19 117.89 2wcv n GLY 137 Ca 0.02 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2wcv n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wcv s VAL 138 N 2.50 5.13 -0.05 1.61 1.01 -1.26 -4.12 120.40 125.21 2wcv s VAL 138 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2wcv s VAL 138 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2wcv s VAL 138 CO 0.00 -0.26 1.87 -0.89 0.00 0.00 0.00 175.10 175.82 2wcv s THR 139 N 2.07 3.26 -2.00 3.92 2.01 -1.26 -4.98 115.64 118.66 2wcv s THR 139 Ca 0.12 0.30 0.13 0.00 0.31 0.00 0.00 61.69 62.56 2wcv s THR 139 Cb -0.17 -3.22 0.38 0.00 0.01 0.00 0.00 72.50 69.50 2wcv s THR 139 CO 0.13 -0.06 1.23 -0.81 -0.69 0.00 0.00 174.62 174.42