#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on0 s ILE 3 N 0.00 4.68 0.02 2.28 1.09 -1.26 -4.23 121.20 123.77 1on0 s ILE 3 Ca 0.00 0.87 0.08 0.00 -1.10 0.00 0.00 60.65 60.50 1on0 s ILE 3 Cb 0.00 -3.73 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 1on0 s ILE 3 CO 0.00 -0.60 -0.24 -0.76 -0.10 0.00 0.00 174.94 173.24 1on0 s LEU 5 N -3.95 2.23 -0.09 2.97 2.01 -1.26 -4.65 118.68 115.94 1on0 s LEU 5 Ca 0.54 -0.50 -0.05 0.00 0.01 0.00 0.00 54.13 54.13 1on0 s LEU 5 Cb -0.10 -1.35 0.04 0.00 0.01 0.00 0.00 46.19 44.78 1on0 s LEU 5 CO 0.32 0.28 0.21 0.42 1.01 0.00 0.00 176.35 178.59 1on0 s THR 6 N -0.76 -0.04 0.00 5.49 -4.23 -1.19 -4.97 115.64 109.95 1on0 s THR 6 Ca 0.12 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1on0 s THR 6 Cb -0.10 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1on0 s THR 6 CO 0.01 0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.34 1on0 n PRO 7 N 4.02 3.48 -4.12 3.99 -0.04 -1.26 -1.25 135.00 139.82 1on0 n PRO 7 Ca -0.24 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.10 1on0 n PRO 7 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 1on0 n PRO 7 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1on0 s GLN 9 N 0.00 0.69 0.52 0.54 -1.52 -1.26 -4.68 119.66 113.96 1on0 s GLN 9 Ca 0.00 -1.04 0.19 0.00 -1.95 0.00 0.00 55.36 52.57 1on0 s GLN 9 Cb 0.00 -0.30 1.32 0.00 -0.22 0.00 0.00 33.01 33.81 1on0 s GLN 9 CO 0.00 0.03 2.10 0.00 -0.25 0.00 0.00 175.29 177.17 1on0 h THR 10 N 3.78 0.90 -0.01 -0.19 1.03 -2.02 0.22 112.91 116.62 1on0 h THR 10 Ca -0.36 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.02 1on0 h THR 10 Cb 1.19 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 1on0 h THR 10 CO 0.51 0.00 -0.09 -0.33 -0.01 0.00 0.00 175.52 175.60 1on0 h GLU 11 N 0.00 0.08 -0.40 0.00 3.07 -2.03 -2.53 114.58 112.77 1on0 h GLU 11 Ca 0.09 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1on0 h GLU 11 Cb 0.36 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1on0 h GLU 11 CO -0.00 0.76 0.17 1.49 -1.40 0.00 0.00 179.01 180.03 1on0 h GLU 12 N -0.57 0.56 0.08 2.33 4.22 -1.79 -2.84 114.58 116.57 1on0 h GLU 12 Ca -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 1on0 h GLU 12 Cb 0.78 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1on0 h GLU 12 CO 0.02 0.46 -0.04 0.35 -2.18 0.00 0.00 179.01 177.62 1on0 h PHE 13 N 0.56 -0.10 -0.29 0.92 3.57 -0.59 -0.20 116.94 120.81 1on0 h PHE 13 Ca 0.14 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1on0 h PHE 13 Cb 0.10 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1on0 h PHE 13 CO 0.00 0.12 -0.20 0.00 -2.23 0.00 0.00 178.31 176.01 1on0 h ARG 14 N -0.31 -0.17 -0.27 1.11 3.08 -1.22 1.21 114.38 117.82 1on0 h ARG 14 Ca -0.01 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1on0 h ARG 14 Cb 0.26 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1on0 h ARG 14 CO 0.02 -0.11 -0.10 0.77 -1.07 0.00 0.00 179.97 179.47 1on0 h SER 15 N -0.17 0.42 -0.01 7.04 0.02 -1.50 -2.35 113.55 116.99 1on0 h SER 15 Ca 0.15 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1on0 h SER 15 Cb 0.41 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.85 1on0 h SER 15 CO -0.40 0.56 -0.33 0.22 -1.14 0.00 0.00 176.83 175.74 1on0 h TYR 16 N 0.41 0.35 -0.27 3.45 3.20 0.37 -1.88 116.97 122.61 1on0 h TYR 16 Ca 0.08 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.81 1on0 h TYR 16 Cb 0.44 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1on0 h TYR 16 CO 0.01 0.98 0.02 1.25 -1.64 0.00 0.00 178.16 178.78 1on0 h LEU 17 N -0.37 -0.07 -0.30 2.82 5.85 0.15 0.45 115.31 123.84 1on0 h LEU 17 Ca -0.04 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1on0 h LEU 17 Cb 1.07 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1on0 h LEU 17 CO 0.07 -0.00 0.13 0.74 -0.34 0.00 0.00 178.44 179.04 1on0 h THR 18 N 0.10 0.96 -0.27 1.05 2.02 -1.49 0.14 112.91 115.43 1on0 h THR 18 Ca 0.13 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 1on0 h THR 18 Cb 0.16 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1on0 h THR 18 CO -0.20 0.05 -0.16 0.22 0.37 0.00 0.00 175.52 175.80 1on0 h TYR 19 N 0.28 0.51 0.05 3.16 5.03 -0.68 -1.54 116.97 123.79 1on0 h TYR 19 Ca 0.13 -0.08 -0.23 0.00 2.58 0.00 0.00 58.73 61.13 1on0 h TYR 19 Cb 0.07 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1on0 h TYR 19 CO -0.11 0.61 -1.05 0.00 -1.32 0.00 0.00 178.16 176.29 1on0 h THR 20 N 0.43 1.56 -0.23 1.81 1.03 0.31 -1.98 112.91 115.83 1on0 h THR 20 Ca 0.08 -3.02 -0.13 0.00 -0.01 0.00 0.00 66.41 63.33 1on0 h THR 20 Cb 0.54 2.75 -0.01 0.00 -1.07 0.00 0.00 68.15 70.36 1on0 h THR 20 CO 0.03 0.87 -0.41 0.74 -0.01 0.00 0.00 175.52 176.74 1on0 h THR 21 N 0.07 1.30 -0.16 0.00 2.02 -0.56 0.03 112.91 115.61 1on0 h THR 21 Ca -0.07 -1.58 -0.22 0.00 0.77 0.00 0.00 66.41 65.31 1on0 h THR 21 Cb 1.75 1.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1on0 h THR 21 CO 0.16 0.50 -0.77 0.50 0.37 0.00 0.00 175.52 176.28 1on0 h LYS 22 N 0.45 0.78 -0.43 6.66 3.64 -1.28 -2.65 116.57 123.74 1on0 h LYS 22 Ca 0.04 -0.63 -0.06 0.00 -1.27 0.00 0.00 60.65 58.73 1on0 h LYS 22 Cb 0.91 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1on0 h LYS 22 CO 0.08 1.24 0.06 1.25 -2.27 0.00 0.00 179.45 179.81 1on0 h HIS 23 N 0.54 0.78 -0.73 1.91 2.76 -1.27 -2.14 115.15 116.99 1on0 h HIS 23 Ca -0.05 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 57.98 1on0 h HIS 23 Cb 1.40 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 1on0 h HIS 23 CO 0.08 0.75 0.34 -0.92 -1.30 0.00 0.00 177.93 176.89 1on0 h TYR 24 N 0.58 1.03 -0.52 5.26 3.20 -1.00 -0.89 116.97 124.64 1on0 h TYR 24 Ca 0.13 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1on0 h TYR 24 Cb 0.40 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1on0 h TYR 24 CO 0.03 0.76 0.17 0.00 -1.64 0.00 0.00 178.16 177.48 1on0 h ALA 25 N 1.34 0.68 -0.63 1.82 0.00 -1.19 -0.98 119.26 120.30 1on0 h ALA 25 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1on0 h ALA 25 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1on0 h ALA 25 CO -0.03 0.33 0.41 0.93 0.00 0.00 0.00 179.25 180.89 1on0 h GLU 26 N 0.71 0.83 -0.05 0.00 5.08 -0.71 0.45 114.58 120.89 1on0 h GLU 26 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1on0 h GLU 26 Cb 0.26 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1on0 h GLU 26 CO -0.01 0.56 0.02 0.93 -1.00 0.00 0.00 179.01 179.52 1on0 h GLU 27 N 0.85 0.07 -0.94 2.33 4.39 -1.01 0.83 114.58 121.11 1on0 h GLU 27 Ca 0.23 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.97 1on0 h GLU 27 Cb -0.08 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1on0 h GLU 27 CO -0.05 0.20 0.60 0.87 -1.16 0.00 0.00 179.01 179.47 1on0 h LYS 28 N -0.07 1.08 -0.43 2.33 1.79 -0.88 0.12 116.57 120.52 1on0 h LYS 28 Ca 0.02 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1on0 h LYS 28 Cb 0.15 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1on0 h LYS 28 CO -0.00 0.71 -0.18 0.28 -1.08 0.00 0.00 179.45 179.18 1on0 h VAL 29 N 1.11 1.28 -0.24 0.50 2.07 -0.69 -1.84 116.25 118.43 1on0 h VAL 29 Ca 0.40 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1on0 h VAL 29 Cb 0.13 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1on0 h VAL 29 CO -0.16 0.45 0.13 0.50 0.02 0.00 0.00 177.57 178.50 1on0 h LYS 30 N 0.70 0.33 0.00 1.57 3.64 0.22 -0.93 116.57 122.10 1on0 h LYS 30 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1on0 h LYS 30 Cb 0.74 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1on0 h LYS 30 CO 0.06 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 1on0 n ALA 31 N -2.21 1.30 -0.39 5.00 0.00 0.32 -4.80 120.51 119.73 1on0 n ALA 31 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1on0 n ALA 31 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1on0 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1on0 n GLY 32 N -0.77 1.26 0.31 0.00 0.00 -0.35 -4.92 105.19 100.72 1on0 n GLY 32 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1on0 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1on0 h THR 33 N 0.00 1.23 -3.19 2.61 2.02 -1.61 -3.44 112.91 110.53 1on0 h THR 33 Ca 0.00 -0.84 -0.64 0.00 0.77 0.00 0.00 66.41 65.70 1on0 h THR 33 Cb 0.00 0.64 -0.16 0.00 -1.74 0.00 0.00 68.15 66.89 1on0 h THR 33 CO 0.00 0.32 -0.77 0.26 0.37 0.00 0.00 175.52 175.69 1on0 s TRP 34 N -5.23 2.51 0.08 3.16 0.51 -0.76 -5.01 118.94 114.20 1on0 s TRP 34 Ca -0.10 -0.27 -0.19 0.00 -2.12 0.00 0.00 56.10 53.41 1on0 s TRP 34 Cb 0.15 -1.25 -0.07 0.00 -0.81 0.00 0.00 33.47 31.50 1on0 s TRP 34 CO 0.81 0.49 0.57 -0.51 -0.51 0.00 0.00 176.95 177.80 1on0 s LEU 35 N -2.65 4.51 0.27 2.99 1.43 -1.26 -4.26 118.68 119.70 1on0 s LEU 35 Ca 0.22 1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 54.51 1on0 s LEU 35 Cb -0.09 -2.95 0.48 0.00 0.03 0.00 0.00 46.19 43.67 1on0 s LEU 35 CO 0.12 0.25 1.59 -0.65 0.23 0.00 0.00 176.35 177.90 1on0 h PRO 36 N 4.42 0.02 0.00 1.29 0.11 -1.97 0.43 132.00 136.31 1on0 h PRO 36 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1on0 h PRO 36 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1on0 h PRO 36 CO 0.64 0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 1on0 n GLU 37 N -5.50 0.67 0.00 1.05 0.00 -1.26 -3.40 120.64 112.20 1on0 n GLU 37 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1on0 n GLU 37 Cb 0.52 -1.16 0.00 0.00 0.00 0.00 0.00 31.44 30.81 1on0 n GLU 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1on0 n ASP 38 N -0.66 2.98 -0.19 -1.84 10.43 0.00 -4.87 116.55 122.41 1on0 n ASP 38 Ca 0.05 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.37 1on0 n ASP 38 Cb 0.02 0.08 -0.04 0.00 1.84 0.00 0.00 41.12 43.03 1on0 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1on0 n ALA 39 N -2.05 -0.26 0.27 2.24 0.00 -0.37 -0.41 120.51 119.94 1on0 n ALA 39 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.66 1on0 n ALA 39 Cb 0.35 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 1on0 n ALA 39 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1on0 h GLN 40 N 0.00 -0.91 -0.29 0.00 1.08 -1.88 0.16 115.11 113.27 1on0 h GLN 40 Ca 0.08 0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1on0 h GLN 40 Cb 0.19 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1on0 h GLN 40 CO -0.43 -0.61 0.11 1.25 -0.95 0.00 0.00 178.83 178.21 1on0 h LEU 41 N -0.94 0.13 -0.86 1.46 5.85 -1.27 -2.68 115.31 117.00 1on0 h LEU 41 Ca -0.06 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1on0 h LEU 41 Cb 0.82 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1on0 h LEU 41 CO -0.07 0.11 0.57 -0.07 -0.34 0.00 0.00 178.44 178.64 1on0 h LEU 42 N 0.24 0.99 -0.43 2.25 3.38 -0.66 -2.84 115.31 118.24 1on0 h LEU 42 Ca 0.13 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1on0 h LEU 42 Cb 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1on0 h LEU 42 CO -0.12 0.72 0.17 -1.28 0.09 0.00 0.00 178.44 178.03 1on0 h SER 43 N 1.17 0.21 -0.36 -0.43 0.87 -0.66 -2.28 113.55 112.07 1on0 h SER 43 Ca 0.32 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1on0 h SER 43 Cb -0.13 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1on0 h SER 43 CO -0.07 0.16 0.10 0.11 -0.53 0.00 0.00 176.83 176.60 1on0 h LYS 44 N 0.36 0.23 -0.39 2.24 1.79 -1.25 -0.83 116.57 118.72 1on0 h LYS 44 Ca 0.20 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.70 1on0 h LYS 44 Cb 0.16 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1on0 h LYS 44 CO -0.18 0.15 0.26 1.96 -1.08 0.00 0.00 179.45 180.56 1on0 h GLN 45 N 0.24 0.33 -0.36 3.15 1.08 -1.34 0.63 115.11 118.84 1on0 h GLN 45 Ca 0.17 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.22 1on0 h GLN 45 Cb 0.17 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1on0 h GLN 45 CO -0.20 0.22 -0.30 0.28 -0.95 0.00 0.00 178.83 177.88 1on0 h VAL 46 N 0.34 1.28 0.02 -0.54 2.07 -0.62 -2.83 116.25 115.97 1on0 h VAL 46 Ca 0.16 -1.45 -0.26 0.00 0.82 0.00 0.00 66.70 65.98 1on0 h VAL 46 Cb 0.23 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1on0 h VAL 46 CO -0.04 0.48 -1.35 -0.26 0.02 0.00 0.00 177.57 176.42 1on0 h PHE 47 N 0.67 0.07 -0.50 1.57 0.04 -0.72 -3.14 116.94 114.93 1on0 h PHE 47 Ca 0.08 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 1on0 h PHE 47 Cb 0.84 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1on0 h PHE 47 CO 0.04 1.06 -0.13 1.79 -0.60 0.00 0.00 178.31 180.47 1on0 h THR 48 N 0.01 1.27 -0.16 -1.55 1.35 -0.95 -1.76 112.91 111.12 1on0 h THR 48 Ca -0.15 -1.27 -0.11 0.00 -0.55 0.00 0.00 66.41 64.33 1on0 h THR 48 Cb 1.90 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1on0 h THR 48 CO 0.12 0.44 -0.39 0.44 -0.25 0.00 0.00 175.52 175.88 1on0 h ASP 49 N 0.84 0.36 -0.12 5.36 3.45 -1.60 -2.34 116.42 122.37 1on0 h ASP 49 Ca 0.13 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 1on0 h ASP 49 Cb 0.68 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1on0 h ASP 49 CO 0.05 0.72 -0.22 -0.07 -1.57 0.00 0.00 179.24 178.15 1on0 h LEU 50 N 0.29 0.41 -5.99 1.55 3.38 -1.47 -3.36 115.31 110.12 1on0 h LEU 50 Ca 0.03 -0.55 -0.66 0.00 0.09 0.00 0.00 57.88 56.79 1on0 h LEU 50 Cb 0.82 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 41.08 1on0 h LEU 50 CO 0.07 0.88 -0.13 0.18 0.09 0.00 0.00 178.44 179.53 1on0 n LEU 51 N -4.48 5.03 0.05 1.67 4.32 -0.67 -4.87 117.00 118.04 1on0 n LEU 51 Ca -0.07 -5.49 0.20 0.00 -0.02 0.00 0.00 56.01 50.63 1on0 n LEU 51 Cb 0.42 -0.80 0.73 0.00 -1.62 0.00 0.00 43.42 42.15 1on0 n LEU 51 CO 0.41 2.11 1.18 -0.65 -1.22 0.00 0.00 177.39 179.22 1on0 h PRO 52 N 3.94 0.00 -0.76 3.23 0.11 -1.58 -1.38 132.00 135.55 1on0 h PRO 52 Ca 0.23 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.79 1on0 h PRO 52 Cb 0.54 0.00 -0.43 0.00 0.11 0.00 0.00 31.00 31.22 1on0 h PRO 52 CO 0.96 0.00 -0.80 0.54 -0.21 0.00 0.00 178.00 178.49 1on0 n ARG 53 N -4.10 3.61 0.00 1.05 1.74 -1.26 -5.03 116.66 112.66 1on0 n ARG 53 Ca 0.08 -4.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.00 1on0 n ARG 53 Cb 0.58 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1on0 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1on0 n GLY 54 N -0.71 2.73 0.20 -0.13 0.00 -0.52 0.40 105.19 107.16 1on0 n GLY 54 Ca 0.44 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.74 1on0 n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1on0 h LEU 55 N 0.00 0.00 -1.29 0.99 3.38 -1.98 -2.97 115.31 113.44 1on0 h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1on0 h LEU 55 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1on0 h LEU 55 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1on0 n GLU 56 N -2.72 1.82 -1.90 1.13 -0.58 0.16 -4.86 120.64 113.69 1on0 n GLU 56 Ca 0.02 -1.26 -0.43 0.00 -0.42 0.00 0.00 57.16 55.07 1on0 n GLU 56 Cb 0.33 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 1on0 n GLU 56 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1on0 s THR 57 N -1.62 3.37 0.35 2.62 2.01 -0.99 -4.88 115.64 116.51 1on0 s THR 57 Ca 0.28 0.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.41 1on0 s THR 57 Cb 0.15 -3.47 -0.13 0.00 0.01 0.00 0.00 72.50 69.06 1on0 s THR 57 CO 0.21 -0.28 0.74 -0.81 -0.69 0.00 0.00 174.62 173.79 1on0 n PRO 58 N 8.38 0.83 -0.59 4.92 -0.04 -1.26 -1.68 135.00 145.56 1on0 n PRO 58 Ca 0.24 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1on0 n PRO 58 Cb 0.46 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1on0 n PRO 58 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1on0 n HIS 59 N -0.37 0.00 -3.94 0.54 8.25 -1.26 -4.96 115.22 113.48 1on0 n HIS 59 Ca 0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 1on0 n HIS 59 Cb 0.35 -0.71 -0.07 0.00 1.12 0.00 0.00 29.99 30.68 1on0 n HIS 59 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1on0 s HIS 60 N -2.37 3.48 -0.20 4.41 3.76 -0.68 -1.35 115.29 122.35 1on0 s HIS 60 Ca 0.00 0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1on0 s HIS 60 Cb 0.00 -1.97 0.04 0.00 1.11 0.00 0.00 32.58 31.77 1on0 s HIS 60 CO 0.00 0.58 -0.08 -1.01 -0.85 0.00 0.00 174.74 173.38 1on0 s HIS 61 N -0.67 2.25 -0.36 1.40 3.76 0.58 -4.82 115.29 117.43 1on0 s HIS 61 Ca 0.13 -1.50 -0.07 0.00 -0.15 0.00 0.00 55.06 53.47 1on0 s HIS 61 Cb -0.12 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.06 1on0 s HIS 61 CO 0.02 -0.72 0.14 -0.51 -0.85 0.00 0.00 174.74 172.83 1on0 s LEU 62 N 1.45 4.52 0.20 0.89 1.02 -1.26 -1.42 118.68 124.08 1on0 s LEU 62 Ca -0.01 -1.22 0.08 0.00 0.02 0.00 0.00 54.13 53.00 1on0 s LEU 62 Cb -0.16 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 1on0 s LEU 62 CO -0.08 -0.37 0.00 0.26 0.02 0.00 0.00 176.35 176.18 1on0 s TRP 63 N 1.41 2.81 -0.14 0.29 0.51 -0.12 -4.61 118.94 119.10 1on0 s TRP 63 Ca -0.00 -0.16 -0.04 0.00 -2.12 0.00 0.00 56.10 53.78 1on0 s TRP 63 Cb -0.20 -1.33 -0.03 0.00 -0.81 0.00 0.00 33.47 31.09 1on0 s TRP 63 CO 0.03 0.54 0.01 -1.12 -0.51 0.00 0.00 176.95 175.90 1on0 s SER 64 N -3.15 5.23 0.18 2.95 0.01 -0.38 -1.41 113.70 117.13 1on0 s SER 64 Ca 0.28 0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.37 1on0 s SER 64 Cb -0.09 -1.74 -0.08 0.00 0.21 0.00 0.00 66.02 64.32 1on0 s SER 64 CO 0.19 0.24 0.72 -0.76 0.41 0.00 0.00 173.24 174.04 1on0 s LEU 65 N -0.08 4.46 -0.28 2.44 1.43 -0.88 -3.16 118.68 122.62 1on0 s LEU 65 Ca 0.04 1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 54.39 1on0 s LEU 65 Cb -0.13 -3.38 0.12 0.00 0.03 0.00 0.00 46.19 42.83 1on0 s LEU 65 CO 0.02 0.13 0.95 -1.59 0.23 0.00 0.00 176.35 176.09 1on0 s LYS 66 N -1.55 0.54 0.00 1.70 -2.85 -1.26 -0.84 119.74 115.49 1on0 s LYS 66 Ca 0.38 0.72 0.00 0.00 -1.00 0.00 0.00 55.97 56.07 1on0 s LYS 66 Cb -0.19 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 1on0 s LYS 66 CO 0.23 -0.08 0.48 -0.11 0.10 0.00 0.00 175.35 175.96 1on0 n LEU 67 N 2.71 0.57 -4.97 2.77 -0.00 -1.24 -4.27 117.00 112.58 1on0 n LEU 67 Ca -0.14 0.52 -0.21 0.00 -0.00 0.00 0.00 56.01 56.17 1on0 n LEU 67 Cb 0.56 -0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 43.81 1on0 n LEU 67 CO 0.02 -0.16 0.02 0.54 -0.00 0.00 0.00 177.39 177.82 1on0 s ASN 68 N -1.90 6.25 -0.69 1.96 6.03 -1.26 -4.27 114.94 121.06 1on0 s ASN 68 Ca 0.00 0.11 -0.05 0.00 -1.03 0.00 0.00 52.86 51.90 1on0 s ASN 68 Cb 0.00 -1.80 -0.05 0.00 -3.03 0.00 0.00 41.25 36.37 1on0 s ASN 68 CO 0.00 -0.18 1.96 -0.62 -2.03 0.00 0.00 177.10 176.23 1on0 n GLU 69 N -1.53 1.70 0.00 3.55 4.71 -1.26 -2.64 120.64 125.16 1on0 n GLU 69 Ca -0.07 -1.22 0.00 0.00 -0.01 0.00 0.00 57.16 55.86 1on0 n GLU 69 Cb 0.57 -2.31 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 1on0 n GLU 69 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1on0 n LYS 70 N 4.12 1.19 -3.97 3.49 0.00 -1.26 -5.07 118.16 116.66 1on0 n LYS 70 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.36 1on0 n LYS 70 Cb 0.15 -0.13 -0.14 0.00 0.00 0.00 0.00 35.03 34.91 1on0 n LYS 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1on0 s ASP 71 N -0.23 4.71 -0.60 3.14 1.11 -1.08 -5.06 116.67 118.67 1on0 s ASP 71 Ca 0.00 -2.40 -0.28 0.00 0.18 0.00 0.00 52.55 50.05 1on0 s ASP 71 Cb 0.00 -1.66 0.03 0.00 1.07 0.00 0.00 42.92 42.36 1on0 s ASP 71 CO 0.00 -0.35 1.22 0.27 1.18 0.00 0.00 175.17 177.49 1on0 s ILE 72 N 0.58 3.97 -1.07 0.77 -5.25 -1.26 -3.65 121.20 115.27 1on0 s ILE 72 Ca 0.13 0.84 0.16 0.00 -0.99 0.00 0.00 60.65 60.78 1on0 s ILE 72 Cb -0.21 -4.73 -0.10 0.00 2.95 0.00 0.00 42.46 40.37 1on0 s ILE 72 CO -0.05 -1.38 0.75 1.33 -1.79 0.00 0.00 174.94 173.80 1on0 n VAL 73 N 6.66 0.00 -1.75 8.37 0.24 -0.02 -4.93 118.33 126.90 1on0 n VAL 73 Ca 0.08 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1on0 n VAL 73 Cb 0.49 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1on0 n VAL 73 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1on0 n GLY 74 N 1.28 2.96 3.43 7.63 0.00 -1.13 -0.66 105.19 118.70 1on0 n GLY 74 Ca 0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1on0 n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1on0 s TRP 75 N -2.31 -0.50 -0.13 1.61 -2.14 0.07 -2.07 118.94 113.48 1on0 s TRP 75 Ca 0.00 0.62 -0.04 0.00 2.66 0.00 0.00 56.10 59.34 1on0 s TRP 75 Cb 0.00 0.39 0.06 0.00 -3.10 0.00 0.00 33.47 30.82 1on0 s TRP 75 CO 0.00 -0.66 0.21 -1.17 -2.66 0.00 0.00 176.95 172.67 1on0 s LEU 76 N -1.87 -0.16 -0.24 -4.66 0.20 -0.50 -2.35 118.68 109.10 1on0 s LEU 76 Ca -0.06 0.31 0.01 0.00 0.69 0.00 0.00 54.13 55.08 1on0 s LEU 76 Cb -0.01 0.45 0.04 0.00 -0.43 0.00 0.00 46.19 46.25 1on0 s LEU 76 CO -0.00 -0.26 -0.12 0.86 -0.29 0.00 0.00 176.35 176.53 1on0 s TRP 77 N 2.35 3.08 0.08 5.38 -0.00 0.14 -0.95 118.94 129.01 1on0 s TRP 77 Ca 0.03 -1.95 0.08 0.00 -0.00 0.00 0.00 56.10 54.26 1on0 s TRP 77 Cb -0.13 -1.96 -0.03 0.00 -0.00 0.00 0.00 33.47 31.35 1on0 s TRP 77 CO -0.08 -0.83 -0.22 0.42 -0.00 0.00 0.00 176.95 176.25 1on0 s ILE 78 N 1.21 1.77 -0.24 5.86 1.01 -0.51 -0.60 121.20 129.70 1on0 s ILE 78 Ca -0.03 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.23 1on0 s ILE 78 Cb -0.17 -1.57 0.06 0.00 0.01 0.00 0.00 42.46 40.78 1on0 s ILE 78 CO -0.07 0.08 -0.10 -2.28 0.00 0.00 0.00 174.94 172.58 1on0 s HIS 79 N -0.99 2.90 -0.89 3.97 5.65 0.91 -0.31 115.29 126.54 1on0 s HIS 79 Ca 0.08 -2.05 -0.14 0.00 0.25 0.00 0.00 55.06 53.20 1on0 s HIS 79 Cb -0.10 -1.80 0.22 0.00 -1.18 0.00 0.00 32.58 29.73 1on0 s HIS 79 CO 0.03 -0.83 0.86 0.00 -0.65 0.00 0.00 174.74 174.15 1on0 s ALA 80 N 1.23 4.11 0.38 1.58 0.00 -0.46 -1.04 121.76 127.57 1on0 s ALA 80 Ca -0.07 -3.35 -0.24 0.00 0.00 0.00 0.00 51.96 48.30 1on0 s ALA 80 Cb -0.19 -3.59 -0.13 0.00 0.00 0.00 0.00 23.12 19.22 1on0 s ALA 80 CO -0.06 -2.34 0.67 0.39 0.00 0.00 0.00 175.76 174.42 1on0 n GLU 81 N 4.05 0.73 -2.10 0.00 1.02 -1.26 -4.80 120.64 118.28 1on0 n GLU 81 Ca 0.17 0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 57.14 1on0 n GLU 81 Cb 0.46 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1on0 n GLU 81 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1on0 s PRO 82 N -1.57 3.62 -0.72 3.49 0.04 -1.26 -3.75 135.00 134.84 1on0 s PRO 82 Ca 0.63 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 1on0 s PRO 82 Cb -0.64 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1on0 s PRO 82 CO 0.58 -1.50 0.69 0.39 0.04 0.00 0.00 177.00 177.20 1on0 n GLU 83 N 7.96 -1.38 -3.32 4.56 -0.58 -1.26 -4.98 120.64 121.64 1on0 n GLU 83 Ca 0.20 1.53 -0.39 0.00 -0.42 0.00 0.00 57.16 58.08 1on0 n GLU 83 Cb 0.46 -5.76 -0.08 0.00 -0.57 0.00 0.00 31.44 25.49 1on0 n GLU 83 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1on0 s HIS 84 N -2.98 3.31 0.61 -0.32 2.46 -1.25 -4.95 115.29 112.18 1on0 s HIS 84 Ca 0.01 0.60 0.21 0.00 0.47 0.00 0.00 55.06 56.36 1on0 s HIS 84 Cb -0.00 -2.62 0.73 0.00 -0.13 0.00 0.00 32.58 30.55 1on0 s HIS 84 CO 0.75 -0.16 1.23 -0.35 -2.47 0.00 0.00 174.74 173.74 1on0 n PRO 85 N 5.05 0.02 -0.00 2.88 -0.04 -1.26 0.13 135.00 141.77 1on0 n PRO 85 Ca -0.06 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1on0 n PRO 85 Cb 0.50 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1on0 n PRO 85 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1on0 n GLN 86 N -3.08 2.77 -3.74 0.54 6.02 -1.26 -5.00 117.38 113.63 1on0 n GLN 86 Ca 0.19 -1.46 -0.28 0.00 -0.01 0.00 0.00 57.00 55.44 1on0 n GLN 86 Cb 1.42 -0.98 0.02 0.00 1.02 0.00 0.00 30.24 31.73 1on0 n GLN 86 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1on0 n GLN 87 N -0.49 -5.09 -3.39 -1.09 1.13 0.34 -4.43 117.38 104.36 1on0 n GLN 87 Ca 0.00 0.60 -0.28 0.00 -1.94 0.00 0.00 57.00 55.39 1on0 n GLN 87 Cb 0.27 -5.46 -0.03 0.00 0.11 0.00 0.00 30.24 25.13 1on0 n GLN 87 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1on0 s GLU 88 N -6.44 3.59 -0.07 -1.09 -1.05 -1.26 -0.83 118.70 111.56 1on0 s GLU 88 Ca 0.59 -0.10 0.04 0.00 -0.15 0.00 0.00 54.97 55.35 1on0 s GLU 88 Cb -0.30 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1on0 s GLU 88 CO 0.73 0.23 -0.20 0.00 0.95 0.00 0.00 175.26 176.97 1on0 s ALA 89 N -2.09 1.80 -0.12 -0.84 0.00 0.40 -4.10 121.76 116.80 1on0 s ALA 89 Ca 0.42 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1on0 s ALA 89 Cb -0.11 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1on0 s ALA 89 CO 0.31 0.26 0.29 0.12 0.00 0.00 0.00 175.76 176.74 1on0 s PHE 90 N 0.28 3.53 -0.67 0.00 2.19 -0.21 -1.03 117.98 122.08 1on0 s PHE 90 Ca -0.12 0.65 -0.18 0.00 0.33 0.00 0.00 56.93 57.61 1on0 s PHE 90 Cb -0.15 -2.26 0.12 0.00 -1.31 0.00 0.00 43.02 39.42 1on0 s PHE 90 CO 0.05 0.40 0.78 0.42 1.83 0.00 0.00 175.22 178.70 1on0 s ILE 91 N -0.07 4.89 0.33 3.12 1.01 0.17 -0.06 121.20 130.58 1on0 s ILE 91 Ca 0.17 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.63 1on0 s ILE 91 Cb -0.13 -4.53 0.11 0.00 0.01 0.00 0.00 42.46 37.91 1on0 s ILE 91 CO 0.06 -1.18 1.81 1.88 0.00 0.00 0.00 174.94 177.51 1on0 h TYR 92 N 8.97 0.40 -2.71 3.97 0.05 -1.16 -3.39 116.97 123.10 1on0 h TYR 92 Ca -0.18 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.46 1on0 h TYR 92 Cb 1.07 -0.11 -0.17 0.00 1.01 0.00 0.00 36.73 38.54 1on0 h TYR 92 CO 0.91 0.55 0.02 0.34 -1.05 0.00 0.00 178.16 178.92 1on0 s ASP 93 N -6.83 -0.43 -0.23 3.88 2.15 -1.07 -4.95 116.67 109.19 1on0 s ASP 93 Ca -0.06 0.23 -0.27 0.00 0.43 0.00 0.00 52.55 52.88 1on0 s ASP 93 Cb 0.15 0.47 0.11 0.00 -0.30 0.00 0.00 42.92 43.35 1on0 s ASP 93 CO 0.76 -0.67 0.94 0.12 -0.17 0.00 0.00 175.17 176.15 1on0 s PHE 94 N -2.16 -0.52 -4.49 -5.34 5.36 -1.26 -0.69 117.98 108.88 1on0 s PHE 94 Ca -0.07 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 1on0 s PHE 94 Cb -0.01 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1on0 s PHE 94 CO 0.00 -0.32 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 1on0 n GLY 95 N 1.84 -2.29 3.30 13.12 0.00 -0.99 -4.99 105.19 115.18 1on0 n GLY 95 Ca -0.13 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 1on0 n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1on0 s LEU 96 N 0.00 2.42 0.65 0.99 1.43 -1.26 -0.75 118.68 122.16 1on0 s LEU 96 Ca 0.00 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1on0 s LEU 96 Cb 0.00 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 1on0 s LEU 96 CO 0.00 -0.37 1.04 -0.31 0.23 0.00 0.00 176.35 176.95 1on0 s TYR 97 N -3.28 3.43 0.22 0.29 1.51 0.16 -4.92 117.35 114.76 1on0 s TYR 97 Ca 0.22 1.33 -0.13 0.00 -1.01 0.00 0.00 57.07 57.48 1on0 s TYR 97 Cb 0.03 -2.79 0.26 0.00 -0.11 0.00 0.00 41.96 39.36 1on0 s TYR 97 CO 0.05 -0.91 1.61 0.93 -1.11 0.00 0.00 175.55 176.12 1on0 h GLU 98 N -0.48 -0.01 0.00 -0.62 5.08 -2.01 0.17 114.58 116.70 1on0 h GLU 98 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1on0 h GLU 98 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1on0 h GLU 98 CO 0.60 -0.01 0.00 -0.35 -1.00 0.00 0.00 179.01 178.25 1on0 n PRO 99 N -5.47 0.52 -3.41 2.33 -0.04 -1.26 -4.05 135.00 123.63 1on0 n PRO 99 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1on0 n PRO 99 Cb 0.36 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 1on0 n PRO 99 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1on0 s TYR 100 N -2.00 0.97 0.12 0.54 2.02 0.58 -5.12 117.35 114.47 1on0 s TYR 100 Ca 0.11 -2.14 -0.06 0.00 -0.37 0.00 0.00 57.07 54.61 1on0 s TYR 100 Cb 0.05 -0.90 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1on0 s TYR 100 CO 0.08 -0.83 0.16 1.03 -1.57 0.00 0.00 175.55 174.42 1on0 s ARG 101 N 0.33 0.95 0.00 -0.62 0.52 -1.26 -4.12 118.95 114.75 1on0 s ARG 101 Ca 0.29 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 1on0 s ARG 101 Cb -0.03 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1on0 s ARG 101 CO -0.15 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1on0 n GLY 102 N -0.10 1.25 0.00 -3.53 0.00 -1.26 -4.72 105.19 96.82 1on0 n GLY 102 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1on0 n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1on0 n LYS 103 N -1.40 0.39 -1.71 1.61 4.76 -1.26 -4.79 118.16 115.75 1on0 n LYS 103 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1on0 n LYS 103 Cb 0.00 -1.25 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 1on0 n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1on0 n GLY 104 N -0.17 0.51 0.13 0.72 0.00 -1.26 -4.93 105.19 100.18 1on0 n GLY 104 Ca 0.05 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 1on0 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1on0 h TYR 105 N 0.00 0.22 -0.41 1.61 0.05 -1.95 -3.23 116.97 113.26 1on0 h TYR 105 Ca -0.18 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.50 1on0 h TYR 105 Cb 0.85 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 1on0 h TYR 105 CO 0.22 0.89 0.26 0.00 -1.05 0.00 0.00 178.16 178.48 1on0 h ALA 106 N 1.07 0.52 -0.28 3.88 0.00 -1.96 0.65 119.26 123.13 1on0 h ALA 106 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1on0 h ALA 106 Cb 1.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1on0 h ALA 106 CO 0.12 -0.06 0.14 -0.22 0.00 0.00 0.00 179.25 179.24 1on0 h LYS 107 N 0.52 0.29 0.00 0.00 1.63 -1.98 0.15 116.57 117.18 1on0 h LYS 107 Ca 0.16 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1on0 h LYS 107 Cb -0.03 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1on0 h LYS 107 CO -0.05 0.19 -0.21 1.96 -3.45 0.00 0.00 179.45 177.89 1on0 h GLN 108 N 0.30 0.00 -0.06 1.90 4.20 -1.45 -2.30 115.11 117.71 1on0 h GLN 108 Ca 0.12 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1on0 h GLN 108 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1on0 h GLN 108 CO -0.08 0.21 -0.22 0.00 -0.67 0.00 0.00 178.83 178.08 1on0 h ALA 109 N 1.79 0.10 -0.37 3.87 0.00 0.16 -2.56 119.26 122.25 1on0 h ALA 109 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1on0 h ALA 109 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1on0 h ALA 109 CO 0.03 0.08 0.23 -0.07 0.00 0.00 0.00 179.25 179.51 1on0 h LEU 110 N -0.28 0.43 -0.45 0.00 3.38 -0.50 -0.03 115.31 117.87 1on0 h LEU 110 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1on0 h LEU 110 Cb 0.86 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1on0 h LEU 110 CO 0.05 0.33 -0.05 0.00 0.09 0.00 0.00 178.44 178.85 1on0 h ALA 111 N 1.75 0.61 -0.01 1.53 0.00 -1.41 0.18 119.26 121.92 1on0 h ALA 111 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1on0 h ALA 111 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1on0 h ALA 111 CO -0.03 0.45 -0.33 0.00 0.00 0.00 0.00 179.25 179.34 1on0 h ALA 112 N 0.89 1.44 -0.25 0.00 0.00 -0.85 0.03 119.26 120.53 1on0 h ALA 112 Ca 0.12 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1on0 h ALA 112 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1on0 h ALA 112 CO 0.03 0.42 -0.21 1.25 0.00 0.00 0.00 179.25 180.74 1on0 h LEU 113 N 0.01 0.61 -0.78 0.00 6.46 -0.36 0.58 115.31 121.84 1on0 h LEU 113 Ca -0.00 -0.46 -0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1on0 h LEU 113 Cb 0.59 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1on0 h LEU 113 CO 0.04 0.94 0.49 0.44 -0.62 0.00 0.00 178.44 179.73 1on0 h ASP 114 N 0.29 0.93 -0.18 1.25 3.45 -0.07 0.46 116.42 122.55 1on0 h ASP 114 Ca 0.04 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1on0 h ASP 114 Cb 0.76 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 1on0 h ASP 114 CO 0.05 0.70 0.00 -0.61 -1.57 0.00 0.00 179.24 177.82 1on0 h GLN 115 N 1.07 0.32 -0.20 3.56 4.15 -0.83 -1.55 115.11 121.62 1on0 h GLN 115 Ca 0.28 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1on0 h GLN 115 Cb -0.07 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1on0 h GLN 115 CO -0.06 0.52 0.04 0.00 -1.93 0.00 0.00 178.83 177.41 1on0 h ALA 116 N 0.78 0.27 -0.84 3.38 0.00 -0.59 -1.80 119.26 120.46 1on0 h ALA 116 Ca 0.05 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1on0 h ALA 116 Cb 0.38 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1on0 h ALA 116 CO 0.01 -0.07 0.51 0.00 0.00 0.00 0.00 179.25 179.69 1on0 h ALA 117 N 0.85 1.17 -0.39 0.00 0.00 -0.10 -0.43 119.26 120.36 1on0 h ALA 117 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1on0 h ALA 117 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1on0 h ALA 117 CO 0.00 0.20 -0.07 -0.09 0.00 0.00 0.00 179.25 179.30 1on0 h ARG 118 N 0.90 0.65 -1.61 0.00 9.65 -1.10 0.90 114.38 123.76 1on0 h ARG 118 Ca 0.38 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1on0 h ARG 118 Cb 0.24 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1on0 h ARG 118 CO -0.20 0.71 0.00 0.43 2.80 0.00 0.00 179.97 183.72 1on0 n SER 119 N -4.21 1.66 0.00 -3.80 7.64 -0.17 -4.55 113.62 110.19 1on0 n SER 119 Ca 0.01 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1on0 n SER 119 Cb 0.31 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1on0 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1on0 n GLY 121 N 0.96 0.73 3.58 0.23 0.00 -1.09 -5.11 105.19 104.49 1on0 n GLY 121 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1on0 n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1on0 n ILE 122 N -0.57 0.31 -0.31 -0.61 -0.00 0.29 -4.84 119.36 113.64 1on0 n ILE 122 Ca 0.00 -0.45 0.10 0.00 -0.00 0.00 0.00 62.75 62.41 1on0 n ILE 122 Cb 0.01 -2.46 0.32 0.00 -0.00 0.00 0.00 39.64 37.51 1on0 n ILE 122 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1on0 n ARG 123 N 8.71 2.95 -3.64 0.38 1.74 -0.01 -4.26 116.66 122.53 1on0 n ARG 123 Ca 0.32 -2.58 -0.03 0.00 -0.77 0.00 0.00 57.85 54.78 1on0 n ARG 123 Cb 0.42 -1.65 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 1on0 n ARG 123 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1on0 s LYS 124 N -1.33 0.33 -0.05 5.56 2.20 -1.21 -4.92 119.74 120.32 1on0 s LYS 124 Ca 0.47 0.50 0.03 0.00 -0.36 0.00 0.00 55.97 56.61 1on0 s LYS 124 Cb 0.27 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1on0 s LYS 124 CO 0.29 -0.06 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.61 1on0 s LEU 125 N 0.90 2.97 0.09 5.43 1.43 -1.26 -0.45 118.68 127.78 1on0 s LEU 125 Ca -0.04 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1on0 s LEU 125 Cb -0.04 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1on0 s LEU 125 CO -0.12 0.34 -0.09 -0.55 0.23 0.00 0.00 176.35 176.16 1on0 s SER 126 N -0.89 1.27 0.16 2.29 0.15 -0.19 -4.93 113.70 111.56 1on0 s SER 126 Ca 0.13 -0.82 -0.24 0.00 0.70 0.00 0.00 55.95 55.72 1on0 s SER 126 Cb -0.11 0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.30 1on0 s SER 126 CO 0.02 -0.31 0.79 -1.48 1.20 0.00 0.00 173.24 173.46 1on0 s LEU 127 N -2.46 -0.33 -0.06 3.45 0.05 -1.26 0.43 118.68 118.50 1on0 s LEU 127 Ca 0.04 -0.29 0.04 0.00 0.05 0.00 0.00 54.13 53.98 1on0 s LEU 127 Cb -0.02 2.41 -0.02 0.00 -2.05 0.00 0.00 46.19 46.51 1on0 s LEU 127 CO -0.01 -0.99 -0.19 -2.28 -0.55 0.00 0.00 176.35 172.32 1on0 s HIS 128 N -3.55 2.58 -0.04 3.48 5.65 -1.26 -5.01 115.29 117.14 1on0 s HIS 128 Ca 0.08 -0.44 0.01 0.00 0.25 0.00 0.00 55.06 54.95 1on0 s HIS 128 Cb -0.03 -1.63 0.02 0.00 -1.18 0.00 0.00 32.58 29.76 1on0 s HIS 128 CO -0.02 -0.03 -0.03 0.54 -0.65 0.00 0.00 174.74 174.55 1on0 s VAL 129 N -0.38 0.44 0.66 0.89 0.11 -1.26 -5.01 120.40 115.85 1on0 s VAL 129 Ca 0.03 -0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.86 1on0 s VAL 129 Cb -0.12 -0.50 -0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1on0 s VAL 129 CO 0.02 0.21 1.27 -0.36 -3.33 0.00 0.00 175.10 172.91 1on0 s PHE 130 N 1.06 2.10 0.18 1.54 0.40 -1.26 -4.91 117.98 117.08 1on0 s PHE 130 Ca -0.09 1.51 -0.14 0.00 -0.60 0.00 0.00 56.93 57.62 1on0 s PHE 130 Cb -0.14 -3.63 0.12 0.00 0.51 0.00 0.00 43.02 39.88 1on0 s PHE 130 CO -0.01 -2.78 1.79 0.00 0.70 0.00 0.00 175.22 174.91 1on0 h ALA 131 N 0.40 0.62 0.00 5.36 0.00 -1.99 -2.48 119.26 121.16 1on0 h ALA 131 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1on0 h ALA 131 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1on0 h ALA 131 CO 0.53 -0.10 0.00 1.12 0.00 0.00 0.00 179.25 180.80 1on0 h HIS 132 N 0.49 0.00 0.00 0.00 2.07 -1.99 -3.35 115.15 112.37 1on0 h HIS 132 Ca 0.21 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 57.06 1on0 h HIS 132 Cb 0.11 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.09 1on0 h HIS 132 CO -0.10 0.00 3.04 0.09 -3.07 0.00 0.00 177.93 177.89 1on0 n ASN 133 N -2.55 4.47 0.10 3.10 5.03 -0.94 -4.68 115.26 119.79 1on0 n ASN 133 Ca -0.00 -2.72 0.01 0.00 0.87 0.00 0.00 54.58 52.74 1on0 n ASN 133 Cb 0.17 -1.48 0.34 0.00 -1.02 0.00 0.00 39.78 37.78 1on0 n ASN 133 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1on0 h GLN 134 N 6.27 0.28 0.88 3.52 1.08 -1.84 -1.81 115.11 123.49 1on0 h GLN 134 Ca 0.58 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.67 1on0 h GLN 134 Cb 0.55 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1on0 h GLN 134 CO 1.86 0.45 -0.49 1.15 -0.95 0.00 0.00 178.83 180.85 1on0 h THR 135 N 0.26 0.00 -0.91 -0.54 2.02 -1.96 -1.04 112.91 110.74 1on0 h THR 135 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1on0 h THR 135 Cb 0.47 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1on0 h THR 135 CO 0.03 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.51 1on0 h ALA 136 N -1.26 1.21 -0.62 6.16 0.00 -1.94 -2.18 119.26 120.63 1on0 h ALA 136 Ca -0.12 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1on0 h ALA 136 Cb 1.00 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1on0 h ALA 136 CO 0.15 0.46 0.36 0.00 0.00 0.00 0.00 179.25 180.22 1on0 h ARG 137 N 1.15 0.68 -0.46 0.00 3.08 -1.12 -0.76 114.38 116.95 1on0 h ARG 137 Ca 0.36 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 1on0 h ARG 137 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1on0 h ARG 137 CO -0.12 0.45 -0.02 0.87 -1.07 0.00 0.00 179.97 180.08 1on0 h LYS 138 N 0.70 0.77 0.67 0.04 1.79 -0.71 -2.22 116.57 117.60 1on0 h LYS 138 Ca 0.26 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1on0 h LYS 138 Cb 0.08 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1on0 h LYS 138 CO -0.13 0.79 -0.32 1.25 -1.08 0.00 0.00 179.45 179.96 1on0 h LEU 139 N 0.71 -0.76 -0.97 2.94 7.12 -0.73 -2.31 115.31 121.31 1on0 h LEU 139 Ca 0.14 0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.30 1on0 h LEU 139 Cb 0.46 0.20 -0.09 0.00 -0.53 0.00 0.00 40.66 40.70 1on0 h LEU 139 CO 0.02 -0.52 0.59 1.88 -0.13 0.00 0.00 178.44 180.29 1on0 h TYR 140 N -0.94 1.07 -0.71 1.25 0.05 -1.09 -0.90 116.97 115.70 1on0 h TYR 140 Ca -0.09 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1on0 h TYR 140 Cb 0.70 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1on0 h TYR 140 CO -0.02 0.36 0.45 0.93 -1.05 0.00 0.00 178.16 178.83 1on0 h GLU 141 N 0.88 0.95 0.00 4.88 5.08 -1.22 0.14 114.58 125.29 1on0 h GLU 141 Ca 0.51 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1on0 h GLU 141 Cb 0.60 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1on0 h GLU 141 CO -0.30 0.65 -0.22 1.96 -1.00 0.00 0.00 179.01 180.10 1on0 h GLN 142 N 0.97 0.00 -0.23 2.33 4.20 -0.61 -1.97 115.11 119.79 1on0 h GLN 142 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1on0 h GLN 142 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1on0 h GLN 142 CO -0.05 0.22 0.00 0.25 -0.67 0.00 0.00 178.83 178.57 1on0 n THR 143 N -4.06 0.31 -0.01 -0.54 -2.24 -0.78 -4.90 114.28 102.06 1on0 n THR 143 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1on0 n THR 143 Cb 0.29 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1on0 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1on0 n GLY 144 N 1.05 0.51 3.77 3.38 0.00 -0.74 -5.07 105.19 108.09 1on0 n GLY 144 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1on0 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1on0 s PHE 145 N -2.02 2.74 0.02 1.61 0.08 0.41 -4.98 117.98 115.84 1on0 s PHE 145 Ca 0.00 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.62 1on0 s PHE 145 Cb 0.00 -3.29 -0.01 0.00 -0.57 0.00 0.00 43.02 39.14 1on0 s PHE 145 CO 0.00 -1.51 -0.08 -1.14 -0.10 0.00 0.00 175.22 172.39 1on0 s GLN 146 N -3.16 0.56 0.34 0.44 2.00 -1.26 -4.32 119.66 114.27 1on0 s GLN 146 Ca 0.70 -0.49 -0.27 0.00 -2.00 0.00 0.00 55.36 53.31 1on0 s GLN 146 Cb -0.24 -0.47 -0.09 0.00 0.80 0.00 0.00 33.01 33.00 1on0 s GLN 146 CO 0.28 0.11 1.05 -1.21 -0.50 0.00 0.00 175.29 175.03 1on0 s GLU 147 N -0.81 4.42 0.00 1.67 2.02 -1.26 -4.93 118.70 119.82 1on0 s GLU 147 Ca -0.02 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.58 1on0 s GLU 147 Cb -0.06 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1on0 s GLU 147 CO 0.00 0.07 0.00 0.25 0.02 0.00 0.00 175.26 175.60 1on0 n THR 148 N 0.57 0.00 -4.06 3.63 -2.24 -1.26 -5.09 114.28 105.83 1on0 n THR 148 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1on0 n THR 148 Cb 0.48 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 68.15 1on0 n THR 148 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1on0 s ASP 149 N -2.82 0.78 -0.04 3.42 1.01 -1.26 -5.16 116.67 112.60 1on0 s ASP 149 Ca 0.00 -0.62 -0.04 0.00 0.71 0.00 0.00 52.55 52.60 1on0 s ASP 149 Cb 0.00 0.06 0.01 0.00 1.01 0.00 0.00 42.92 44.00 1on0 s ASP 149 CO 0.00 -0.27 0.11 -0.69 0.21 0.00 0.00 175.17 174.53 1on0 s VAL 150 N -1.79 0.01 0.39 -1.27 1.01 -1.26 -5.11 120.40 112.37 1on0 s VAL 150 Ca -0.07 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1on0 s VAL 150 Cb -0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1on0 s VAL 150 CO -0.01 -0.04 0.17 -0.69 0.00 0.00 0.00 175.10 174.54 1on0 s VAL 151 N -0.06 2.54 -0.21 2.92 1.01 -1.26 -5.27 120.40 120.07 1on0 s VAL 151 Ca -0.01 -1.70 -0.34 0.00 0.00 0.00 0.00 61.98 59.93 1on0 s VAL 151 Cb -0.01 -2.97 0.15 0.00 0.00 0.00 0.00 36.38 33.54 1on0 s VAL 151 CO 0.00 -0.06 1.23 -0.94 0.00 0.00 0.00 175.10 175.33 1on0 s SER 153 N -3.89 -0.13 -0.10 3.32 1.04 -1.26 -5.03 113.70 107.65 1on0 s SER 153 Ca 0.40 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 1on0 s SER 153 Cb 0.01 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1on0 s SER 153 CO 0.23 -0.20 0.21 -0.75 0.98 0.00 0.00 173.24 173.71 1on0 s LYS 154 N -2.15 0.12 -0.13 4.02 2.20 -1.26 -5.13 119.74 117.41 1on0 s LYS 154 Ca 0.09 0.57 -0.19 0.00 -0.36 0.00 0.00 55.97 56.08 1on0 s LYS 154 Cb -0.01 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 1on0 s LYS 154 CO -0.04 -0.24 0.54 0.21 -0.36 0.00 0.00 175.35 175.46 1on0 s LYS 155 N 1.85 4.31 0.01 4.03 2.20 -1.26 -4.94 119.74 125.95 1on0 s LYS 155 Ca -0.03 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1on0 s LYS 155 Cb -0.12 -3.48 -0.25 0.00 -1.51 0.00 0.00 37.83 32.48 1on0 s LYS 155 CO -0.07 0.04 0.87 -0.07 -0.36 0.00 0.00 175.35 175.75 1on0 h LEU 156 N 7.14 0.19 0.00 5.43 3.38 -2.08 -3.48 115.31 125.89 1on0 h LEU 156 Ca -0.38 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1on0 h LEU 156 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1on0 h LEU 156 CO 0.75 1.24 0.00 0.18 0.09 0.00 0.00 178.44 180.71 1on0 n LEU 157 N -3.31 0.00 0.00 1.67 4.32 -1.26 -5.39 117.00 113.03 1on0 n LEU 157 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1on0 n LEU 157 Cb 1.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.82 1on0 n LEU 157 CO 0.48 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 176.03