#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufu n LEU 3 N 0.00 0.00 -4.65 2.41 4.77 -1.26 -4.88 117.00 113.40 1ufu n LEU 3 Ca 0.00 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.49 1ufu n LEU 3 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1ufu n LEU 3 CO 0.00 0.00 1.13 -2.65 -1.33 0.00 0.00 177.39 174.54 1ufu n PRO 4 N -0.22 1.77 -2.50 3.23 -0.02 -1.26 -4.18 135.00 131.82 1ufu n PRO 4 Ca 0.00 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1ufu n PRO 4 Cb 0.00 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.07 1ufu n PRO 4 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ufu s LYS 5 N 1.15 4.63 0.78 -0.52 -2.85 -1.26 -4.71 119.74 116.95 1ufu s LYS 5 Ca 0.83 1.75 -0.11 0.00 -1.00 0.00 0.00 55.97 57.44 1ufu s LYS 5 Cb -0.79 -3.24 0.06 0.00 -2.06 0.00 0.00 37.83 31.80 1ufu s LYS 5 CO 0.43 0.16 1.08 -2.14 0.10 0.00 0.00 175.35 174.99 1ufu s PRO 6 N -0.91 2.25 -0.13 1.78 0.02 -1.26 -4.95 135.00 131.80 1ufu s PRO 6 Ca 0.47 0.80 -0.05 0.00 0.02 0.00 0.00 61.00 62.23 1ufu s PRO 6 Cb -0.31 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1ufu s PRO 6 CO 0.38 -1.54 0.06 0.99 -0.33 0.00 0.00 177.00 176.55 1ufu s THR 7 N -3.07 4.81 -0.22 0.99 2.01 0.01 -4.44 115.64 115.73 1ufu s THR 7 Ca 0.60 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1ufu s THR 7 Cb -0.15 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.32 1ufu s THR 7 CO 0.55 0.55 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.76 1ufu s LEU 8 N -0.42 2.36 0.33 4.42 2.96 -1.26 -1.06 118.68 126.01 1ufu s LEU 8 Ca 0.09 -1.07 0.04 0.00 -0.22 0.00 0.00 54.13 52.98 1ufu s LEU 8 Cb -0.12 -1.13 -0.06 0.00 0.50 0.00 0.00 46.19 45.38 1ufu s LEU 8 CO 0.02 -0.22 0.05 -1.66 -1.32 0.00 0.00 176.35 173.21 1ufu s TRP 9 N 1.44 2.00 0.19 5.38 -2.14 -0.44 -4.78 118.94 120.58 1ufu s TRP 9 Ca -0.04 -0.92 0.08 0.00 2.66 0.00 0.00 56.10 57.87 1ufu s TRP 9 Cb -0.18 -1.30 -0.04 0.00 -3.10 0.00 0.00 33.47 28.85 1ufu s TRP 9 CO -0.07 0.05 0.01 0.00 -2.66 0.00 0.00 176.95 174.29 1ufu s ALA 10 N -3.24 3.22 -0.13 2.67 0.00 -1.26 -0.11 121.76 122.91 1ufu s ALA 10 Ca 0.36 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1ufu s ALA 10 Cb 0.09 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 22.29 1ufu s ALA 10 CO 0.15 0.44 0.25 -1.21 0.00 0.00 0.00 175.76 175.39 1ufu s GLU 11 N -3.09 0.13 0.45 0.00 2.02 -0.67 -3.81 118.70 113.73 1ufu s GLU 11 Ca 0.28 0.69 0.18 0.00 0.02 0.00 0.00 54.97 56.14 1ufu s GLU 11 Cb -0.09 -0.15 1.06 0.00 0.10 0.00 0.00 34.13 35.05 1ufu s GLU 11 CO 0.19 -0.32 1.97 -1.00 0.02 0.00 0.00 175.26 176.12 1ufu h PRO 12 N 8.30 0.00 -2.65 0.39 0.13 -1.87 -2.04 132.00 134.25 1ufu h PRO 12 Ca -0.14 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.10 1ufu h PRO 12 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1ufu h PRO 12 CO 0.15 0.21 0.48 0.20 -0.23 0.00 0.00 178.00 178.81 1ufu s GLY 13 N -4.22 0.14 0.00 1.56 0.00 -1.25 -5.02 107.32 98.53 1ufu s GLY 13 Ca -0.03 -0.40 0.26 0.00 0.00 0.00 0.00 44.72 44.55 1ufu s GLY 13 CO 0.67 1.34 1.70 -1.14 0.00 0.00 0.00 173.10 175.67 1ufu n SER 14 N -1.17 1.52 -4.10 1.64 3.41 -1.26 -4.61 113.62 109.05 1ufu n SER 14 Ca -0.05 -1.55 -0.33 0.00 -0.26 0.00 0.00 58.87 56.69 1ufu n SER 14 Cb 0.60 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 1ufu n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ufu s VAL 15 N -1.94 2.48 -0.09 -3.33 1.01 -1.26 -0.55 120.40 116.71 1ufu s VAL 15 Ca 0.37 -1.68 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1ufu s VAL 15 Cb 0.20 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1ufu s VAL 15 CO 0.32 -0.16 -0.21 -0.63 0.00 0.00 0.00 175.10 174.42 1ufu s ILE 16 N 1.12 2.39 0.29 2.22 -1.09 -0.36 -5.00 121.20 120.76 1ufu s ILE 16 Ca -0.04 -0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 57.17 1ufu s ILE 16 Cb -0.20 -1.93 -0.09 0.00 -1.58 0.00 0.00 42.46 38.66 1ufu s ILE 16 CO -0.04 0.56 1.00 0.42 -1.23 0.00 0.00 174.94 175.65 1ufu s THR 17 N 0.13 3.87 -0.18 2.92 -4.23 -1.26 -1.41 115.64 115.47 1ufu s THR 17 Ca -0.10 1.77 -0.42 0.00 -1.18 0.00 0.00 61.69 61.75 1ufu s THR 17 Cb -0.16 -4.08 -0.20 0.00 1.34 0.00 0.00 72.50 69.40 1ufu s THR 17 CO 0.06 0.34 1.28 1.67 -0.54 0.00 0.00 174.62 177.42 1ufu n GLN 18 N 1.05 0.04 -0.44 3.99 0.00 -0.20 -0.92 117.38 120.90 1ufu n GLN 18 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 1ufu n GLN 18 Cb 0.47 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.19 1ufu n GLN 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ufu n GLY 19 N 2.45 1.17 3.94 1.69 0.00 0.26 -4.97 105.19 109.74 1ufu n GLY 19 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1ufu n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufu s SER 20 N -3.09 6.12 0.58 1.61 0.01 -0.10 -4.41 113.70 114.41 1ufu s SER 20 Ca 0.00 0.46 -0.09 0.00 1.31 0.00 0.00 55.95 57.63 1ufu s SER 20 Cb 0.00 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 1ufu s SER 20 CO 0.00 -0.49 0.95 -2.16 0.41 0.00 0.00 173.24 171.96 1ufu s PRO 21 N -4.47 3.56 -0.25 12.44 0.04 -1.24 -0.52 135.00 144.57 1ufu s PRO 21 Ca 0.44 0.56 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 1ufu s PRO 21 Cb -0.10 -2.18 0.11 0.00 0.04 0.00 0.00 34.50 32.38 1ufu s PRO 21 CO 0.38 -0.46 0.95 0.54 0.04 0.00 0.00 177.00 178.44 1ufu s VAL 22 N -3.04 0.00 -0.16 -0.36 0.11 -0.14 -4.77 120.40 112.04 1ufu s VAL 22 Ca 0.53 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1ufu s VAL 22 Cb -0.11 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1ufu s VAL 22 CO 0.51 0.00 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.31 1ufu s THR 23 N -0.02 1.25 0.22 5.04 2.01 -0.77 0.52 115.64 123.89 1ufu s THR 23 Ca 0.01 -0.64 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 1ufu s THR 23 Cb -0.04 -1.34 -0.09 0.00 0.01 0.00 0.00 72.50 71.04 1ufu s THR 23 CO -0.03 0.22 0.83 -0.76 -0.69 0.00 0.00 174.62 174.19 1ufu s LEU 24 N 1.59 4.50 -0.01 4.42 1.43 -1.10 -1.68 118.68 127.84 1ufu s LEU 24 Ca 0.02 1.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1ufu s LEU 24 Cb -0.15 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1ufu s LEU 24 CO -0.08 0.11 -0.11 -0.13 0.23 0.00 0.00 176.35 176.37 1ufu s ARG 25 N -1.50 0.88 -0.09 1.70 0.52 0.84 -2.53 118.95 118.77 1ufu s ARG 25 Ca 0.41 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1ufu s ARG 25 Cb -0.21 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.41 1ufu s ARG 25 CO 0.26 0.23 -0.21 0.00 0.02 0.00 0.00 175.30 175.60 1ufu s GLN 27 N 0.39 0.87 0.00 0.00 0.74 -0.22 -4.46 119.66 116.98 1ufu s GLN 27 Ca -0.17 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1ufu s GLN 27 Cb -0.17 -0.84 0.00 0.00 1.10 0.00 0.00 33.01 33.10 1ufu s GLN 27 CO 0.07 0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 1ufu n GLY 28 N 2.73 -1.18 0.00 2.59 0.00 -1.26 -0.81 105.19 107.27 1ufu n GLY 28 Ca -0.14 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ufu n GLY 28 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ufu n THR 32 N -0.93 0.00 0.00 2.61 5.66 -1.26 -5.05 114.28 115.31 1ufu n THR 32 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ufu n THR 32 Cb 0.00 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 1ufu n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ufu n GLN 33 N -0.51 0.00 -2.10 1.09 6.02 -1.26 -4.84 117.38 115.78 1ufu n GLN 33 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1ufu n GLN 33 Cb 0.02 -0.35 0.00 0.00 1.02 0.00 0.00 30.24 30.93 1ufu n GLN 33 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ufu n GLU 34 N -1.18 3.36 -3.02 -1.09 4.07 -1.26 -4.25 120.64 117.26 1ufu n GLU 34 Ca 0.00 -3.18 -0.40 0.00 -0.06 0.00 0.00 57.16 53.52 1ufu n GLU 34 Cb 0.00 -3.05 -0.05 0.00 -0.06 0.00 0.00 31.44 28.28 1ufu n GLU 34 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1ufu s TYR 35 N 1.38 3.73 -0.07 4.31 1.51 -1.26 0.12 117.35 127.08 1ufu s TYR 35 Ca 0.43 1.43 0.01 0.00 -1.01 0.00 0.00 57.07 57.93 1ufu s TYR 35 Cb 0.11 -2.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.20 1ufu s TYR 35 CO -0.03 0.29 -0.09 1.03 -1.11 0.00 0.00 175.55 175.64 1ufu s ARG 36 N -0.11 1.40 0.07 -0.62 0.52 0.78 -4.91 118.95 116.08 1ufu s ARG 36 Ca 0.37 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.36 1ufu s ARG 36 Cb -0.20 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 1ufu s ARG 36 CO 0.22 -0.06 -0.10 -1.17 0.02 0.00 0.00 175.30 174.21 1ufu s LEU 37 N 0.96 3.04 -0.16 2.53 2.96 -1.26 -1.57 118.68 125.17 1ufu s LEU 37 Ca -0.10 -0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.21 1ufu s LEU 37 Cb -0.15 -1.81 0.09 0.00 0.50 0.00 0.00 46.19 44.83 1ufu s LEU 37 CO 0.00 0.21 0.81 -0.72 -1.32 0.00 0.00 176.35 175.34 1ufu s TYR 38 N -1.13 -0.60 0.08 5.38 -0.85 -0.87 -5.03 117.35 114.34 1ufu s TYR 38 Ca 0.20 1.21 -0.08 0.00 -0.52 0.00 0.00 57.07 57.88 1ufu s TYR 38 Cb -0.11 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 1ufu s TYR 38 CO 0.11 -0.44 0.36 0.50 -1.52 0.00 0.00 175.55 174.57 1ufu s ARG 39 N -0.58 3.68 0.81 -3.49 3.52 -1.26 -1.14 118.95 120.49 1ufu s ARG 39 Ca -0.04 0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.48 1ufu s ARG 39 Cb -0.02 -2.98 0.08 0.00 -1.56 0.00 0.00 34.95 30.47 1ufu s ARG 39 CO 0.04 0.56 1.13 -1.21 -0.81 0.00 0.00 175.30 175.00 1ufu s GLU 40 N -2.06 1.95 0.00 5.12 2.02 0.12 -4.31 118.70 121.53 1ufu s GLU 40 Ca 0.34 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.71 1ufu s GLU 40 Cb -0.13 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1ufu s GLU 40 CO 0.19 -1.66 0.00 1.63 0.02 0.00 0.00 175.26 175.45 1ufu n LYS 41 N -3.41 0.00 -3.66 1.61 4.76 -1.26 -4.60 118.16 111.59 1ufu n LYS 41 Ca 0.07 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 1ufu n LYS 41 Cb 0.58 -0.79 -0.14 0.00 -1.84 0.00 0.00 35.03 32.85 1ufu n LYS 41 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ufu s LYS 42 N 0.00 0.12 0.26 1.97 2.20 -1.26 -5.13 119.74 117.90 1ufu s LYS 42 Ca 0.00 0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 56.01 1ufu s LYS 42 Cb 0.00 -0.10 -0.12 0.00 -1.51 0.00 0.00 37.83 36.10 1ufu s LYS 42 CO 0.00 -0.30 1.58 0.25 -0.36 0.00 0.00 175.35 176.53 1ufu n THR 43 N 5.35 0.74 -3.51 3.43 -2.24 -1.26 -4.64 114.28 112.15 1ufu n THR 43 Ca -0.06 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1ufu n THR 43 Cb 0.50 -1.84 -0.07 0.00 -2.10 0.00 0.00 70.33 66.81 1ufu n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ufu s ALA 44 N 0.27 3.49 0.36 6.98 0.00 -1.26 -4.95 121.76 126.66 1ufu s ALA 44 Ca 0.68 -2.63 0.11 0.00 0.00 0.00 0.00 51.96 50.12 1ufu s ALA 44 Cb -0.54 -2.94 0.89 0.00 0.00 0.00 0.00 23.12 20.53 1ufu s ALA 44 CO 0.45 -1.96 1.84 -1.35 0.00 0.00 0.00 175.76 174.74 1ufu h PRO 45 N 8.40 0.60 -0.18 0.00 0.11 -1.98 -2.27 132.00 136.69 1ufu h PRO 45 Ca -0.19 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.93 1ufu h PRO 45 Cb 1.07 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ufu h PRO 45 CO 0.88 0.40 0.64 0.11 -0.21 0.00 0.00 178.00 179.81 1ufu h TRP 46 N 0.62 0.00 0.09 0.65 5.08 -1.99 0.19 115.95 120.59 1ufu h TRP 46 Ca 0.49 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 60.20 1ufu h TRP 46 Cb 0.93 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 1ufu h TRP 46 CO -0.00 0.00 -1.20 0.82 -1.28 0.00 0.00 178.44 176.77 1ufu h ILE 47 N 0.00 1.53 -0.04 0.12 2.04 -1.82 -3.29 117.51 116.04 1ufu h ILE 47 Ca 0.09 -3.14 -0.01 0.00 1.00 0.00 0.00 64.86 62.79 1ufu h ILE 47 Cb 1.35 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 40.33 1ufu h ILE 47 CO -0.00 0.91 0.02 0.35 0.00 0.00 0.00 178.15 179.42 1ufu n THR 48 N -3.47 0.59 -0.15 -0.27 -2.24 0.68 -2.05 114.28 107.36 1ufu n THR 48 Ca -0.07 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1ufu n THR 48 Cb 1.00 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1ufu n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ufu n ARG 49 N 0.21 2.26 -2.12 -0.78 1.74 -1.24 -5.04 116.66 111.68 1ufu n ARG 49 Ca 0.02 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 1ufu n ARG 49 Cb 0.42 -0.55 -0.03 0.00 -1.02 0.00 0.00 32.46 31.28 1ufu n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ufu s ILE 50 N -0.36 3.54 0.32 0.55 -1.09 -0.87 -4.95 121.20 118.34 1ufu s ILE 50 Ca 0.00 0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 59.06 1ufu s ILE 50 Cb 0.00 -3.58 -0.13 0.00 -1.58 0.00 0.00 42.46 37.17 1ufu s ILE 50 CO 0.00 -0.02 0.91 -2.65 -1.23 0.00 0.00 174.94 171.95 1ufu n PRO 51 N 5.71 1.15 0.19 2.79 -0.02 -1.26 -4.78 135.00 138.78 1ufu n PRO 51 Ca 0.14 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 62.07 1ufu n PRO 51 Cb 0.43 -1.77 0.39 0.00 -0.02 0.00 0.00 33.50 32.53 1ufu n PRO 51 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ufu h GLN 52 N 1.67 0.00 -0.80 -0.52 5.75 -1.98 -1.73 115.11 117.50 1ufu h GLN 52 Ca -0.40 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.15 1ufu h GLN 52 Cb 1.35 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.86 1ufu h GLN 52 CO 0.58 0.36 0.52 0.93 -2.65 0.00 0.00 178.83 178.57 1ufu h GLU 53 N 0.00 0.91 0.10 1.69 4.39 -1.99 -1.94 114.58 117.75 1ufu h GLU 53 Ca -0.00 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 1ufu h GLU 53 Cb 0.69 -0.21 0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1ufu h GLU 53 CO 0.05 0.60 -0.72 -0.07 -1.16 0.00 0.00 179.01 177.71 1ufu h LEU 54 N 0.94 0.45 -1.29 1.33 3.38 -1.68 -3.33 115.31 115.12 1ufu h LEU 54 Ca 0.33 -0.91 0.17 0.00 0.09 0.00 0.00 57.88 57.56 1ufu h LEU 54 Cb 0.11 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1ufu h LEU 54 CO -0.10 1.33 0.59 0.58 0.09 0.00 0.00 178.44 180.93 1ufu h VAL 55 N -0.35 0.77 0.00 1.22 2.07 -1.01 0.20 116.25 119.14 1ufu h VAL 55 Ca -0.12 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1ufu h VAL 55 Cb 1.53 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ufu h VAL 55 CO 0.14 0.12 -0.25 0.11 0.02 0.00 0.00 177.57 177.70 1ufu h LYS 56 N 0.64 0.00 -0.59 1.57 1.57 -1.47 -2.41 116.57 115.88 1ufu h LYS 56 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1ufu h LYS 56 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1ufu h LYS 56 CO -0.23 0.25 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 1ufu n LYS 57 N -4.03 2.51 -1.92 3.15 5.02 0.62 -4.36 118.16 119.13 1ufu n LYS 57 Ca -0.02 -2.12 -0.13 0.00 -2.02 0.00 0.00 58.31 54.02 1ufu n LYS 57 Cb 0.32 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1ufu n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ufu n GLY 58 N 1.33 0.41 3.29 0.72 0.00 -0.89 -4.85 105.19 105.20 1ufu n GLY 58 Ca 0.20 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1ufu n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufu s GLN 59 N -4.08 3.32 -0.56 1.61 -0.21 -0.77 -1.60 119.66 117.37 1ufu s GLN 59 Ca 0.00 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 54.76 1ufu s GLN 59 Cb 0.00 -2.87 0.17 0.00 1.00 0.00 0.00 33.01 31.31 1ufu s GLN 59 CO 0.00 -0.12 0.41 -0.06 -2.12 0.00 0.00 175.29 173.40 1ufu s PHE 60 N 1.24 2.38 0.33 0.91 0.40 -1.05 -3.72 117.98 118.47 1ufu s PHE 60 Ca 0.03 -2.84 -0.26 0.00 -0.60 0.00 0.00 56.93 53.25 1ufu s PHE 60 Cb -0.14 -1.87 -0.10 0.00 0.51 0.00 0.00 43.02 41.42 1ufu s PHE 60 CO -0.03 -0.68 0.97 -1.25 0.70 0.00 0.00 175.22 174.93 1ufu s PRO 61 N -0.69 4.52 -0.28 0.24 0.04 -1.26 -2.71 135.00 134.86 1ufu s PRO 61 Ca 0.28 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1ufu s PRO 61 Cb -0.02 -2.79 0.08 0.00 0.04 0.00 0.00 34.50 31.81 1ufu s PRO 61 CO -0.17 0.21 -0.03 0.42 0.04 0.00 0.00 177.00 177.46 1ufu s ILE 62 N -1.58 1.95 0.45 0.56 1.01 0.19 -4.98 121.20 118.79 1ufu s ILE 62 Ca 0.51 -1.75 0.20 0.00 0.00 0.00 0.00 60.65 59.61 1ufu s ILE 62 Cb -0.20 -2.25 0.23 0.00 0.01 0.00 0.00 42.46 40.25 1ufu s ILE 62 CO 0.26 -0.28 2.04 -0.65 0.00 0.00 0.00 174.94 176.31 1ufu h PRO 63 N 7.79 0.00 -1.49 2.79 0.11 -1.89 -0.34 132.00 138.96 1ufu h PRO 63 Ca -0.14 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 1ufu h PRO 63 Cb 1.04 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.89 1ufu h PRO 63 CO 0.47 0.15 -0.47 0.45 -0.21 0.00 0.00 178.00 178.39 1ufu s SER 64 N -6.64 -0.28 0.20 -2.05 0.15 -1.26 -3.66 113.70 100.17 1ufu s SER 64 Ca -0.04 -0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1ufu s SER 64 Cb 0.15 1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 65.80 1ufu s SER 64 CO 0.65 -0.33 1.27 -0.51 1.20 0.00 0.00 173.24 175.52 1ufu s ILE 65 N 2.64 3.30 0.47 6.45 2.07 0.32 -4.79 121.20 131.66 1ufu s ILE 65 Ca 0.11 1.09 0.05 0.00 -1.41 0.00 0.00 60.65 60.49 1ufu s ILE 65 Cb -0.12 -3.70 -0.03 0.00 0.13 0.00 0.00 42.46 38.74 1ufu s ILE 65 CO -0.27 0.17 0.14 0.42 -1.91 0.00 0.00 174.94 173.49 1ufu s THR 66 N -0.02 1.76 -0.78 4.00 -4.23 -1.26 -0.57 115.64 114.54 1ufu s THR 66 Ca 0.55 -1.81 0.13 0.00 -1.18 0.00 0.00 61.69 59.39 1ufu s THR 66 Cb -0.35 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.04 1ufu s THR 66 CO 0.38 0.00 1.42 0.79 -0.54 0.00 0.00 174.62 176.67 1ufu n TRP 67 N -1.30 0.27 0.07 3.99 7.02 -1.26 -1.89 117.44 124.35 1ufu n TRP 67 Ca -0.08 0.12 -0.07 0.00 -1.02 0.00 0.00 57.50 56.45 1ufu n TRP 67 Cb 0.66 -0.69 -0.08 0.00 -2.42 0.00 0.00 31.31 28.77 1ufu n TRP 67 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1ufu h GLU 68 N 0.00 0.02 0.00 -0.99 4.57 -2.01 -3.25 114.58 112.93 1ufu h GLU 68 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ufu h GLU 68 Cb 0.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1ufu h GLU 68 CO 0.00 0.97 0.00 0.72 -1.18 0.00 0.00 179.01 179.52 1ufu n HIS 69 N -3.42 0.01 -1.99 0.92 8.25 -0.79 -4.81 115.22 113.39 1ufu n HIS 69 Ca -0.01 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1ufu n HIS 69 Cb 0.90 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 1ufu n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ufu s ALA 70 N -3.00 3.58 0.00 -1.41 0.00 -1.23 -4.86 121.76 114.84 1ufu s ALA 70 Ca 0.09 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1ufu s ALA 70 Cb 0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ufu s ALA 70 CO 0.34 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1ufu n GLY 71 N 1.37 -0.49 3.57 0.00 0.00 -0.81 -5.01 105.19 103.82 1ufu n GLY 71 Ca 0.03 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1ufu n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ufu s ARG 72 N -1.93 3.74 -0.01 1.61 3.52 -1.26 -0.79 118.95 123.84 1ufu s ARG 72 Ca 0.00 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 1ufu s ARG 72 Cb 0.00 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 1ufu s ARG 72 CO 0.00 -0.39 -0.14 0.71 -0.81 0.00 0.00 175.30 174.67 1ufu s TYR 73 N 1.96 2.69 0.11 5.12 1.51 0.76 -0.71 117.35 128.79 1ufu s TYR 73 Ca 0.11 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.07 1ufu s TYR 73 Cb -0.16 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1ufu s TYR 73 CO 0.11 0.24 -0.16 1.03 -1.11 0.00 0.00 175.55 175.67 1ufu s ARG 74 N -1.10 1.00 0.20 -0.62 0.52 -0.29 -0.44 118.95 118.22 1ufu s ARG 74 Ca 0.14 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1ufu s ARG 74 Cb -0.11 -1.02 -0.05 0.00 0.52 0.00 0.00 34.95 34.30 1ufu s ARG 74 CO 0.03 0.21 -0.10 0.00 0.02 0.00 0.00 175.30 175.47 1ufu s TYR 76 N -3.18 -0.24 0.15 0.00 -0.85 -0.61 0.13 117.35 112.75 1ufu s TYR 76 Ca 0.22 0.26 0.11 0.00 -0.52 0.00 0.00 57.07 57.14 1ufu s TYR 76 Cb 0.02 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1ufu s TYR 76 CO 0.05 -0.32 -0.25 1.52 -1.52 0.00 0.00 175.55 175.04 1ufu s TYR 77 N -2.12 2.34 0.00 -3.49 -0.85 -1.26 -0.16 117.35 111.82 1ufu s TYR 77 Ca 0.05 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 1ufu s TYR 77 Cb -0.01 -1.23 0.00 0.00 0.38 0.00 0.00 41.96 41.10 1ufu s TYR 77 CO -0.05 0.39 0.00 0.41 -1.52 0.00 0.00 175.55 174.79 1ufu n GLY 78 N 0.70 -1.52 3.29 5.49 0.00 0.32 -2.03 105.19 111.44 1ufu n GLY 78 Ca -0.16 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 1ufu n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufu s SER 79 N -4.00 0.35 0.07 1.61 1.04 -0.46 -4.85 113.70 107.45 1ufu s SER 79 Ca 0.00 -1.36 -0.31 0.00 0.48 0.00 0.00 55.95 54.75 1ufu s SER 79 Cb 0.00 0.45 -0.18 0.00 0.10 0.00 0.00 66.02 66.39 1ufu s SER 79 CO 0.00 -0.95 1.60 0.44 0.98 0.00 0.00 173.24 175.31 1ufu h ASP 80 N 2.47 -0.66 0.29 7.02 3.32 -1.98 -0.07 116.42 126.80 1ufu h ASP 80 Ca -0.32 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1ufu h ASP 80 Cb 1.25 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1ufu h ASP 80 CO 0.47 -0.45 -0.24 0.74 -1.72 0.00 0.00 179.24 178.04 1ufu h THR 81 N -0.81 0.49 -0.01 0.35 2.02 -2.03 -3.00 112.91 109.92 1ufu h THR 81 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ufu h THR 81 Cb 0.61 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1ufu h THR 81 CO 0.13 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.87 1ufu n ALA 82 N -2.48 2.86 0.00 6.16 0.00 -1.25 -5.02 120.51 120.79 1ufu n ALA 82 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ufu n ALA 82 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1ufu n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufu n GLY 83 N 1.27 2.34 3.33 0.00 0.00 -0.10 -4.82 105.19 107.22 1ufu n GLY 83 Ca 0.15 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 1ufu n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ufu s ARG 84 N -4.98 1.46 0.03 1.61 1.70 -0.85 -1.35 118.95 116.57 1ufu s ARG 84 Ca 0.00 -1.80 0.00 0.00 -0.47 0.00 0.00 55.73 53.46 1ufu s ARG 84 Cb 0.00 -0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.11 1ufu s ARG 84 CO 0.00 -0.32 0.04 -1.13 -1.08 0.00 0.00 175.30 172.81 1ufu n SER 85 N -0.56 0.07 -4.92 -2.89 3.41 -0.86 -4.21 113.62 103.66 1ufu n SER 85 Ca -0.00 -1.06 -0.26 0.00 -0.26 0.00 0.00 58.87 57.29 1ufu n SER 85 Cb 0.66 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 1ufu n SER 85 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ufu s GLU 86 N -2.35 3.07 0.83 4.33 2.02 -1.26 -4.82 118.70 120.52 1ufu s GLU 86 Ca 0.03 -0.02 -0.11 0.00 0.02 0.00 0.00 54.97 54.89 1ufu s GLU 86 Cb -0.00 -2.33 0.09 0.00 0.10 0.00 0.00 34.13 31.98 1ufu s GLU 86 CO 0.02 -0.54 1.09 -1.12 0.02 0.00 0.00 175.26 174.73 1ufu s SER 87 N -4.25 4.10 0.47 -0.19 0.01 -1.26 -4.46 113.70 108.11 1ufu s SER 87 Ca 0.52 1.61 -0.08 0.00 1.31 0.00 0.00 55.95 59.31 1ufu s SER 87 Cb -0.10 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1ufu s SER 87 CO 0.44 -2.26 0.81 -0.94 0.41 0.00 0.00 173.24 171.70 1ufu s SER 88 N -3.48 6.37 0.05 2.44 1.04 0.34 -4.77 113.70 115.68 1ufu s SER 88 Ca 0.62 1.08 -0.34 0.00 0.48 0.00 0.00 55.95 57.79 1ufu s SER 88 Cb -0.17 -2.31 -0.12 0.00 0.10 0.00 0.00 66.02 63.52 1ufu s SER 88 CO 0.56 -0.54 1.75 0.47 0.98 0.00 0.00 173.24 176.46 1ufu n ASP 89 N -1.91 3.40 -4.43 7.02 8.00 -1.26 -4.38 116.55 122.98 1ufu n ASP 89 Ca 0.02 1.02 -0.47 0.00 0.71 0.00 0.00 54.79 56.07 1ufu n ASP 89 Cb 0.54 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.20 1ufu n ASP 89 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ufu n PRO 90 N 5.19 0.25 -4.90 -0.24 -0.04 -1.26 -4.72 135.00 129.29 1ufu n PRO 90 Ca 0.20 0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 1ufu n PRO 90 Cb 0.31 -1.16 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 1ufu n PRO 90 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ufu s LEU 91 N 2.60 2.57 -0.51 1.53 2.96 0.41 -4.94 118.68 123.29 1ufu s LEU 91 Ca 0.63 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 1ufu s LEU 91 Cb -0.86 -1.55 0.13 0.00 0.50 0.00 0.00 46.19 44.40 1ufu s LEU 91 CO 0.57 0.19 0.42 -1.61 -1.32 0.00 0.00 176.35 174.60 1ufu s GLU 92 N 0.18 2.69 -0.39 1.98 2.02 -1.26 -0.17 118.70 123.75 1ufu s GLU 92 Ca -0.09 -1.80 -0.29 0.00 0.02 0.00 0.00 54.97 52.81 1ufu s GLU 92 Cb -0.15 -4.07 0.01 0.00 0.10 0.00 0.00 34.13 30.02 1ufu s GLU 92 CO 0.06 -1.24 1.26 -1.17 0.02 0.00 0.00 175.26 174.18 1ufu s LEU 93 N 1.35 3.73 -0.11 1.80 2.96 0.03 -4.75 118.68 123.69 1ufu s LEU 93 Ca 0.06 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1ufu s LEU 93 Cb -0.27 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1ufu s LEU 93 CO 0.00 -1.21 0.03 -0.69 -1.32 0.00 0.00 176.35 173.16 1ufu s VAL 94 N 4.62 4.54 -0.16 1.68 1.01 0.29 -1.93 120.40 130.45 1ufu s VAL 94 Ca 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1ufu s VAL 94 Cb -0.12 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1ufu s VAL 94 CO 0.27 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 175.15 1ufu s VAL 95 N -0.65 2.99 0.33 2.92 1.01 -0.34 -1.23 120.40 125.43 1ufu s VAL 95 Ca 0.11 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1ufu s VAL 95 Cb -0.12 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1ufu s VAL 95 CO 0.02 0.50 0.16 0.42 0.00 0.00 0.00 175.10 176.21 1ufu s THR 96 N 0.78 3.27 0.00 3.92 -4.23 -0.50 -1.76 115.64 117.12 1ufu s THR 96 Ca -0.05 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1ufu s THR 96 Cb -0.15 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1ufu s THR 96 CO 0.01 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1ufu n GLY 97 N -1.17 1.21 0.10 3.99 0.00 -0.28 -1.03 105.19 108.00 1ufu n GLY 97 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ufu n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufu h ALA 98 N 0.00 0.76 -3.00 4.61 0.00 -1.58 -3.44 119.26 116.62 1ufu h ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ufu h ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ufu h ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1ufu n TYR 99 N -2.34 0.00 -4.85 0.00 4.02 -1.26 -4.93 117.16 107.79 1ufu n TYR 99 Ca 0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.67 1ufu n TYR 99 Cb 0.46 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.62 1ufu n TYR 99 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1ufu s ILE 100 N 2.71 1.43 -0.10 -0.72 -0.00 -1.26 -4.58 121.20 118.66 1ufu s ILE 100 Ca 0.00 -0.75 -0.29 0.00 -0.00 0.00 0.00 60.65 59.61 1ufu s ILE 100 Cb 0.00 -1.21 -0.05 0.00 -0.00 0.00 0.00 42.46 41.21 1ufu s ILE 100 CO 0.00 0.41 1.68 -1.59 -0.00 0.00 0.00 174.94 175.44 1ufu s LYS 101 N -0.21 4.02 0.12 0.37 -2.85 -1.26 -4.13 119.74 115.80 1ufu s LYS 101 Ca 0.02 2.05 -0.02 0.00 -1.00 0.00 0.00 55.97 57.02 1ufu s LYS 101 Cb -0.09 -4.02 0.03 0.00 -2.06 0.00 0.00 37.83 31.69 1ufu s LYS 101 CO 0.01 -1.03 0.12 -2.30 0.10 0.00 0.00 175.35 172.25 1ufu n PRO 102 N 7.36 -0.78 -5.08 1.78 -0.02 -1.26 -4.93 135.00 132.08 1ufu n PRO 102 Ca 0.18 -0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 1ufu n PRO 102 Cb 0.43 -0.16 -0.16 0.00 -0.02 0.00 0.00 33.50 33.60 1ufu n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ufu s THR 103 N -1.24 1.73 -0.19 3.45 2.01 0.14 -4.51 115.64 117.02 1ufu s THR 103 Ca 0.07 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1ufu s THR 103 Cb -0.00 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 71.10 1ufu s THR 103 CO 0.06 0.49 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.13 1ufu s LEU 104 N -0.42 2.29 0.06 4.42 2.96 -1.24 0.49 118.68 127.23 1ufu s LEU 104 Ca 0.06 -0.83 0.05 0.00 -0.22 0.00 0.00 54.13 53.19 1ufu s LEU 104 Cb -0.09 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1ufu s LEU 104 CO -0.00 -0.11 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.83 1ufu s SER 105 N 1.36 1.81 0.07 3.68 1.04 -0.08 -4.85 113.70 116.73 1ufu s SER 105 Ca 0.00 -0.55 -0.27 0.00 0.48 0.00 0.00 55.95 55.61 1ufu s SER 105 Cb -0.15 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 1ufu s SER 105 CO -0.09 0.00 0.84 0.00 0.98 0.00 0.00 173.24 174.97 1ufu s ALA 106 N -1.04 3.32 -0.23 5.32 0.00 -1.26 -0.64 121.76 127.22 1ufu s ALA 106 Ca 0.01 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1ufu s ALA 106 Cb -0.09 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1ufu s ALA 106 CO 0.02 0.03 -0.07 -0.65 0.00 0.00 0.00 175.76 175.09 1ufu s GLN 107 N -0.06 3.02 0.19 0.00 1.11 0.26 -2.95 119.66 121.22 1ufu s GLN 107 Ca 0.42 -0.85 0.10 0.00 0.01 0.00 0.00 55.36 55.04 1ufu s GLN 107 Cb -0.22 -2.94 -0.02 0.00 -1.01 0.00 0.00 33.01 28.82 1ufu s GLN 107 CO 0.26 -0.31 1.39 -1.00 0.01 0.00 0.00 175.29 175.63 1ufu h PRO 108 N 8.04 0.00 -4.01 2.91 0.13 -1.95 -2.98 132.00 134.14 1ufu h PRO 108 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 1ufu h PRO 108 Cb 1.13 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 1ufu h PRO 108 CO 0.59 0.80 -0.39 0.45 -0.23 0.00 0.00 178.00 179.22 1ufu s SER 109 N -6.65 0.09 0.23 1.44 0.15 -1.15 -5.00 113.70 102.81 1ufu s SER 109 Ca 0.01 -0.96 0.24 0.00 0.70 0.00 0.00 55.95 55.95 1ufu s SER 109 Cb 0.10 0.41 0.93 0.00 -1.71 0.00 0.00 66.02 65.75 1ufu s SER 109 CO 0.79 -0.87 1.72 -2.65 1.20 0.00 0.00 173.24 173.43 1ufu n PRO 110 N -0.20 0.20 -3.14 5.44 -0.02 -1.26 -4.52 135.00 131.49 1ufu n PRO 110 Ca -0.06 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 1ufu n PRO 110 Cb 0.63 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 1ufu n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ufu s VAL 111 N -3.24 4.87 0.05 -1.45 1.01 -1.26 -0.93 120.40 119.45 1ufu s VAL 111 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1ufu s VAL 111 Cb 0.10 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1ufu s VAL 111 CO 0.44 -0.61 -0.14 0.68 0.00 0.00 0.00 175.10 175.47 1ufu s VAL 112 N 2.71 1.10 0.42 2.92 -7.23 -1.20 -5.01 120.40 114.12 1ufu s VAL 112 Ca 0.20 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 1ufu s VAL 112 Cb -0.15 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 1ufu s VAL 112 CO 0.17 -0.06 1.24 0.20 -0.31 0.00 0.00 175.10 176.35 1ufu s ASN 113 N -1.29 6.27 0.96 4.85 0.01 -1.26 -4.95 114.94 119.53 1ufu s ASN 113 Ca 0.01 2.51 -0.13 0.00 -0.71 0.00 0.00 52.86 54.53 1ufu s ASN 113 Cb -0.08 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 38.98 1ufu s ASN 113 CO 0.01 -0.87 0.33 -0.24 -1.51 0.00 0.00 177.10 174.83 1ufu n SER 114 N -0.08 -2.26 0.00 -1.22 2.88 -1.26 -1.75 113.62 109.93 1ufu n SER 114 Ca 0.05 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1ufu n SER 114 Cb 0.45 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1ufu n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufu n GLY 115 N 1.61 0.00 0.00 0.46 0.00 -0.72 -4.74 105.19 101.79 1ufu n GLY 115 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ufu n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufu n GLY 116 N -0.22 1.72 3.43 -0.02 0.00 -0.72 -4.49 105.19 104.90 1ufu n GLY 116 Ca 0.00 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 1ufu n GLY 116 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ufu s ASN 117 N -1.00 2.48 0.03 1.61 0.01 -1.26 -0.89 114.94 115.93 1ufu s ASN 117 Ca 0.00 -1.28 -0.08 0.00 -0.71 0.00 0.00 52.86 50.78 1ufu s ASN 117 Cb 0.00 -0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.55 1ufu s ASN 117 CO 0.00 -0.49 0.16 0.54 -1.51 0.00 0.00 177.10 175.80 1ufu s VAL 118 N -3.19 0.11 -0.18 1.60 0.11 -1.25 -4.92 120.40 112.68 1ufu s VAL 118 Ca 0.33 -0.92 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1ufu s VAL 118 Cb 0.07 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1ufu s VAL 118 CO 0.13 -0.51 0.03 -0.89 -3.33 0.00 0.00 175.10 170.53 1ufu s THR 119 N -2.44 4.48 -0.08 5.04 2.01 -1.13 -2.50 115.64 121.02 1ufu s THR 119 Ca -0.06 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 1ufu s THR 119 Cb -0.02 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1ufu s THR 119 CO -0.03 0.47 0.10 -0.76 -0.69 0.00 0.00 174.62 173.70 1ufu s LEU 120 N 0.42 4.11 -0.18 4.42 1.43 0.14 0.88 118.68 129.92 1ufu s LEU 120 Ca 0.01 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1ufu s LEU 120 Cb -0.13 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ufu s LEU 120 CO 0.01 0.37 -0.10 -1.58 0.23 0.00 0.00 176.35 175.28 1ufu s GLN 121 N -1.20 1.95 -0.34 1.70 0.74 0.18 -1.13 119.66 121.57 1ufu s GLN 121 Ca 0.17 -0.69 -0.12 0.00 0.05 0.00 0.00 55.36 54.78 1ufu s GLN 121 Cb -0.12 -2.23 -0.01 0.00 1.10 0.00 0.00 33.01 31.75 1ufu s GLN 121 CO 0.07 -0.38 0.22 0.00 -0.55 0.00 0.00 175.29 174.65 1ufu s ASP 123 N 1.69 2.96 0.14 0.00 2.15 0.18 -1.50 116.67 122.29 1ufu s ASP 123 Ca 0.05 -0.47 0.08 0.00 0.43 0.00 0.00 52.55 52.65 1ufu s ASP 123 Cb -0.17 -0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 41.91 1ufu s ASP 123 CO 0.09 0.28 -0.18 -0.55 -0.17 0.00 0.00 175.17 174.64 1ufu s SER 124 N -0.43 2.56 0.17 -0.34 0.15 0.11 0.23 113.70 116.14 1ufu s SER 124 Ca 0.05 -0.81 0.08 0.00 0.70 0.00 0.00 55.95 55.97 1ufu s SER 124 Cb -0.11 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1ufu s SER 124 CO 0.01 -0.02 1.38 1.56 1.20 0.00 0.00 173.24 177.36 1ufu h GLN 125 N 3.50 0.00 -5.74 5.44 4.20 -1.93 -3.44 115.11 117.14 1ufu h GLN 125 Ca -0.43 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.67 1ufu h GLN 125 Cb 1.20 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.91 1ufu h GLN 125 CO 0.48 0.88 -0.33 0.08 -0.67 0.00 0.00 178.83 179.26 1ufu s VAL 126 N -2.97 1.41 -0.14 -0.54 1.01 -1.26 -5.07 120.40 112.83 1ufu s VAL 126 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1ufu s VAL 126 Cb 0.11 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1ufu s VAL 126 CO 0.80 0.00 0.22 0.00 0.00 0.00 0.00 175.10 176.13 1ufu s ALA 127 N -2.83 3.71 -0.02 5.51 0.00 -1.26 -4.52 121.76 122.35 1ufu s ALA 127 Ca 0.25 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1ufu s ALA 127 Cb -0.02 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.89 1ufu s ALA 127 CO 0.16 0.30 -0.04 -0.06 0.00 0.00 0.00 175.76 176.12 1ufu s PHE 128 N -0.15 0.46 -0.46 0.00 0.40 -0.60 -4.99 117.98 112.64 1ufu s PHE 128 Ca 0.15 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1ufu s PHE 128 Cb -0.13 -0.39 0.16 0.00 0.51 0.00 0.00 43.02 43.18 1ufu s PHE 128 CO 0.04 -0.07 0.98 -0.40 0.70 0.00 0.00 175.22 176.46 1ufu n ASP 129 N 3.47 2.59 -3.64 1.36 5.68 -1.24 -4.64 116.55 120.12 1ufu n ASP 129 Ca -0.19 -2.27 -0.02 0.00 -0.50 0.00 0.00 54.79 51.81 1ufu n ASP 129 Cb 0.55 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1ufu n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ufu s GLY 130 N 0.18 0.10 -0.01 6.12 0.00 -1.07 -4.71 107.32 107.92 1ufu s GLY 130 Ca 0.12 3.22 0.04 0.00 0.00 0.00 0.00 44.72 48.10 1ufu s GLY 130 CO 0.03 2.51 -0.14 -1.36 0.00 0.00 0.00 173.10 174.14 1ufu s PHE 131 N 1.11 1.29 -0.04 1.90 0.40 -1.26 -1.51 117.98 119.87 1ufu s PHE 131 Ca -0.07 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1ufu s PHE 131 Cb -0.04 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 1ufu s PHE 131 CO -0.13 -0.04 -0.23 0.42 0.70 0.00 0.00 175.22 175.94 1ufu s ILE 132 N -0.28 2.24 -0.22 0.64 -1.09 -0.81 -1.63 121.20 120.05 1ufu s ILE 132 Ca 0.04 -1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 57.44 1ufu s ILE 132 Cb -0.06 -1.81 0.02 0.00 -1.58 0.00 0.00 42.46 39.03 1ufu s ILE 132 CO -0.00 0.58 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.95 1ufu s LEU 133 N -0.46 2.72 -0.30 2.97 2.96 -0.92 0.32 118.68 125.97 1ufu s LEU 133 Ca 0.05 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 1ufu s LEU 133 Cb -0.11 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1ufu s LEU 133 CO 0.01 -0.06 0.10 0.00 -1.32 0.00 0.00 176.35 175.08 1ufu s LYS 135 N 1.53 3.90 0.00 0.00 2.20 -1.26 -2.32 119.74 123.79 1ufu s LYS 135 Ca 0.03 -1.93 0.00 0.00 -0.36 0.00 0.00 55.97 53.71 1ufu s LYS 135 Cb -0.17 -5.52 0.00 0.00 -1.51 0.00 0.00 37.83 30.63 1ufu s LYS 135 CO 0.04 -2.35 0.00 0.39 -0.36 0.00 0.00 175.35 173.06 1ufu n GLU 136 N 8.41 0.00 -3.72 4.03 -0.58 -0.26 -4.92 120.64 123.61 1ufu n GLU 136 Ca 0.48 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 57.09 1ufu n GLU 136 Cb 0.46 -0.17 -0.07 0.00 -0.57 0.00 0.00 31.44 31.08 1ufu n GLU 136 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ufu s LEU 145 N -1.72 2.11 0.57 0.00 2.34 -0.52 -4.94 118.68 116.53 1ufu s LEU 145 Ca -0.09 -0.23 -0.18 0.00 0.06 0.00 0.00 54.13 53.69 1ufu s LEU 145 Cb -0.02 -0.02 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 1ufu s LEU 145 CO 0.01 -0.11 1.09 0.20 -1.06 0.00 0.00 176.35 176.48 1ufu s ASN 146 N -0.66 5.69 0.00 1.48 -0.87 -1.26 -2.15 114.94 117.17 1ufu s ASN 146 Ca -0.06 2.02 0.00 0.00 -1.57 0.00 0.00 52.86 53.25 1ufu s ASN 146 Cb -0.05 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1ufu s ASN 146 CO -0.00 -1.23 0.00 -1.54 -2.57 0.00 0.00 177.10 171.75 1ufu n SER 147 N -1.66 0.00 0.07 -1.22 3.41 -0.65 -4.95 113.62 108.62 1ufu n SER 147 Ca 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1ufu n SER 147 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 1ufu n SER 147 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ufu h SER 154 N 0.00 0.14 0.00 4.04 4.64 -1.98 -3.49 113.55 116.91 1ufu h SER 154 Ca 0.00 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ufu h SER 154 Cb 0.00 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1ufu h SER 154 CO 0.00 1.12 -0.16 -1.54 -0.87 0.00 0.00 176.83 175.39 1ufu n SER 155 N -3.39 1.68 -3.73 4.97 3.41 -1.26 -1.55 113.62 113.75 1ufu n SER 155 Ca -0.04 -2.80 -0.12 0.00 -0.26 0.00 0.00 58.87 55.65 1ufu n SER 155 Cb 0.98 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1ufu n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ufu s ARG 156 N -2.07 0.80 0.00 4.33 1.70 -1.26 0.07 118.95 122.52 1ufu s ARG 156 Ca 0.23 -0.38 -0.10 0.00 -0.47 0.00 0.00 55.73 55.02 1ufu s ARG 156 Cb 0.21 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.95 1ufu s ARG 156 CO 0.02 -0.25 0.19 0.00 -1.08 0.00 0.00 175.30 174.18 1ufu s ALA 157 N -2.21 -0.47 -0.21 7.88 0.00 -0.56 -5.02 121.76 121.18 1ufu s ALA 157 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1ufu s ALA 157 Cb -0.02 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.26 1ufu s ALA 157 CO -0.01 -0.23 -0.08 0.42 0.00 0.00 0.00 175.76 175.86 1ufu s ILE 158 N -1.45 1.54 0.37 0.00 -1.09 -1.26 -2.33 121.20 116.98 1ufu s ILE 158 Ca -0.14 -1.05 0.08 0.00 -2.23 0.00 0.00 60.65 57.31 1ufu s ILE 158 Cb -0.06 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.09 1ufu s ILE 158 CO 0.02 0.07 0.33 -0.36 -1.23 0.00 0.00 174.94 173.76 1ufu s PHE 159 N 1.42 2.80 -0.15 3.97 0.40 -0.28 -4.93 117.98 121.21 1ufu s PHE 159 Ca -0.03 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 1ufu s PHE 159 Cb -0.17 -1.97 0.08 0.00 0.51 0.00 0.00 43.02 41.47 1ufu s PHE 159 CO -0.07 0.04 0.25 0.45 0.70 0.00 0.00 175.22 176.59 1ufu s SER 160 N -4.05 0.65 0.00 1.36 0.15 -1.26 0.29 113.70 110.83 1ufu s SER 160 Ca 0.44 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1ufu s SER 160 Cb -0.04 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1ufu s SER 160 CO 0.27 -0.27 0.00 1.33 1.20 0.00 0.00 173.24 175.77 1ufu n VAL 161 N 5.34 0.00 -3.41 4.45 0.24 -1.04 -4.97 118.33 118.95 1ufu n VAL 161 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1ufu n VAL 161 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1ufu n VAL 161 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1ufu n VAL 164 N 0.00 0.00 0.00 3.34 0.24 -0.07 -3.86 118.33 117.98 1ufu n VAL 164 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ufu n VAL 164 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1ufu n VAL 164 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1ufu n TRP 170 N 3.65 0.00 -2.71 6.34 7.02 -1.26 -1.76 117.44 128.72 1ufu n TRP 170 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1ufu n TRP 170 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1ufu n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1ufu s TRP 171 N 0.00 3.66 0.18 -5.99 0.52 -1.26 -2.82 118.94 113.24 1ufu s TRP 171 Ca 0.00 1.70 0.07 0.00 0.02 0.00 0.00 56.10 57.89 1ufu s TRP 171 Cb 0.00 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1ufu s TRP 171 CO 0.00 -0.02 -0.14 0.71 0.02 0.00 0.00 176.95 177.53 1ufu s TYR 172 N 0.98 1.59 -0.11 -1.98 1.51 0.19 -1.10 117.35 118.42 1ufu s TYR 172 Ca 0.52 -0.61 -0.22 0.00 -1.01 0.00 0.00 57.07 55.75 1ufu s TYR 172 Cb -0.21 -0.76 0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1ufu s TYR 172 CO 0.28 0.28 0.54 1.03 -1.11 0.00 0.00 175.55 176.57 1ufu s ARG 173 N -3.54 0.79 0.30 -0.62 0.52 -0.98 -0.37 118.95 115.05 1ufu s ARG 173 Ca 0.20 0.38 0.04 0.00 -0.52 0.00 0.00 55.73 55.83 1ufu s ARG 173 Cb -0.01 0.37 -0.06 0.00 0.52 0.00 0.00 34.95 35.78 1ufu s ARG 173 CO 0.05 -0.18 0.04 0.00 0.02 0.00 0.00 175.30 175.23 1ufu s TYR 175 N -3.34 1.04 0.18 0.00 1.51 0.15 -2.40 117.35 114.50 1ufu s TYR 175 Ca 0.35 -1.07 0.10 0.00 -1.01 0.00 0.00 57.07 55.44 1ufu s TYR 175 Cb 0.08 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1ufu s TYR 175 CO 0.14 -0.30 -0.15 0.00 -1.11 0.00 0.00 175.55 174.13 1ufu s ALA 176 N -3.77 2.79 -0.17 3.71 0.00 -1.26 -1.93 121.76 121.12 1ufu s ALA 176 Ca 0.22 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 1ufu s ALA 176 Cb 0.06 -0.58 0.14 0.00 0.00 0.00 0.00 23.12 22.74 1ufu s ALA 176 CO 0.02 0.45 1.07 1.52 0.00 0.00 0.00 175.76 178.81 1ufu s TYR 177 N -1.69 -0.29 0.00 0.00 -0.85 -0.57 -1.19 117.35 112.77 1ufu s TYR 177 Ca 0.23 0.43 -0.18 0.00 -0.52 0.00 0.00 57.07 57.03 1ufu s TYR 177 Cb -0.08 0.47 -0.06 0.00 0.38 0.00 0.00 41.96 42.67 1ufu s TYR 177 CO 0.13 -0.30 0.51 0.34 -1.52 0.00 0.00 175.55 174.71 1ufu s ASP 178 N -1.37 6.91 0.19 -0.18 -1.08 -1.26 -2.61 116.67 117.26 1ufu s ASP 178 Ca 0.02 1.08 0.16 0.00 -0.52 0.00 0.00 52.55 53.28 1ufu s ASP 178 Cb -0.01 -2.32 0.76 0.00 -1.46 0.00 0.00 42.92 39.90 1ufu s ASP 178 CO -0.02 0.20 1.48 -1.54 0.52 0.00 0.00 175.17 175.81 1ufu n SER 179 N 2.32 0.37 -0.29 -0.34 3.41 -1.26 -1.69 113.62 116.14 1ufu n SER 179 Ca -0.10 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 1ufu n SER 179 Cb 0.51 -0.70 0.46 0.00 -0.26 0.00 0.00 64.21 64.22 1ufu n SER 179 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ufu n ASN 180 N -1.97 0.88 -2.74 4.04 2.85 -1.26 -3.92 115.26 113.15 1ufu n ASN 180 Ca 0.00 -1.57 -0.09 0.00 -0.11 0.00 0.00 54.58 52.81 1ufu n ASN 180 Cb 0.08 -0.05 0.09 0.00 1.24 0.00 0.00 39.78 41.14 1ufu n ASN 180 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ufu n SER 181 N -0.20 -1.99 0.12 1.20 7.64 -0.68 -5.02 113.62 114.68 1ufu n SER 181 Ca 0.15 -3.25 0.04 0.00 1.01 0.00 0.00 58.87 56.83 1ufu n SER 181 Cb 0.20 1.48 0.24 0.00 -1.01 0.00 0.00 64.21 65.12 1ufu n SER 181 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ufu n PRO 182 N 0.03 0.06 0.00 1.43 -0.04 -1.20 -0.97 135.00 134.32 1ufu n PRO 182 Ca 0.04 0.48 0.06 0.00 -0.04 0.00 0.00 63.50 64.05 1ufu n PRO 182 Cb 0.75 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1ufu n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ufu n TYR 183 N -1.82 0.00 -3.30 0.54 0.53 -1.26 -4.83 117.16 107.02 1ufu n TYR 183 Ca -0.01 0.00 -0.45 0.00 -1.02 0.00 0.00 57.90 56.43 1ufu n TYR 183 Cb 0.33 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.58 1ufu n TYR 183 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1ufu s GLU 184 N -1.86 3.01 0.44 -0.72 0.41 -0.14 -1.20 118.70 118.64 1ufu s GLU 184 Ca 0.09 -1.42 0.08 0.00 -0.41 0.00 0.00 54.97 53.32 1ufu s GLU 184 Cb 0.11 -4.20 0.01 0.00 -1.78 0.00 0.00 34.13 28.26 1ufu s GLU 184 CO 0.41 -1.21 0.53 -1.58 -0.49 0.00 0.00 175.26 172.91 1ufu s TRP 185 N 1.86 2.59 0.00 1.61 0.51 -0.72 -4.57 118.94 120.22 1ufu s TRP 185 Ca 0.06 -0.48 0.00 0.00 -2.12 0.00 0.00 56.10 53.56 1ufu s TRP 185 Cb -0.26 -2.28 0.00 0.00 -0.81 0.00 0.00 33.47 30.12 1ufu s TRP 185 CO 0.06 -0.41 0.00 -1.13 -0.51 0.00 0.00 176.95 174.96 1ufu n SER 186 N -1.80 -0.08 -4.88 2.95 3.41 -0.33 -2.01 113.62 110.88 1ufu n SER 186 Ca 0.07 -0.17 -0.30 0.00 -0.26 0.00 0.00 58.87 58.21 1ufu n SER 186 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1ufu n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ufu s LEU 187 N 0.00 3.40 0.60 1.04 1.43 -1.26 -1.12 118.68 122.77 1ufu s LEU 187 Ca 0.00 1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 1ufu s LEU 187 Cb 0.00 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1ufu s LEU 187 CO 0.00 -0.74 1.03 -2.16 0.23 0.00 0.00 176.35 174.70 1ufu s PRO 188 N -4.96 3.57 0.90 1.29 0.04 -1.26 -4.32 135.00 130.25 1ufu s PRO 188 Ca 0.52 0.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1ufu s PRO 188 Cb -0.11 -2.08 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1ufu s PRO 188 CO 0.49 -0.59 1.22 -1.54 0.04 0.00 0.00 177.00 176.63 1ufu s SER 189 N -3.75 3.70 0.81 6.66 1.04 -1.01 -4.63 113.70 116.52 1ufu s SER 189 Ca 0.57 0.61 -0.12 0.00 0.48 0.00 0.00 55.95 57.49 1ufu s SER 189 Cb -0.12 -0.94 0.08 0.00 0.10 0.00 0.00 66.02 65.15 1ufu s SER 189 CO 0.47 -2.40 1.14 -1.81 0.98 0.00 0.00 173.24 171.62 1ufu s ASP 190 N -4.59 3.91 0.13 7.02 1.01 -1.26 -4.77 116.67 118.12 1ufu s ASP 190 Ca 0.67 2.09 -0.31 0.00 0.71 0.00 0.00 52.55 55.71 1ufu s ASP 190 Cb -0.09 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 1ufu s ASP 190 CO 0.51 -2.44 1.37 -0.22 0.21 0.00 0.00 175.17 174.60 1ufu s LEU 191 N -5.92 4.38 -0.29 1.23 2.96 -1.26 -4.73 118.68 115.05 1ufu s LEU 191 Ca 0.66 2.34 -0.05 0.00 -0.22 0.00 0.00 54.13 56.87 1ufu s LEU 191 Cb -0.22 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.90 1ufu s LEU 191 CO 0.53 -0.63 0.04 -0.22 -1.32 0.00 0.00 176.35 174.76 1ufu s LEU 192 N 0.84 3.72 -0.26 -0.68 2.96 0.51 -4.95 118.68 120.82 1ufu s LEU 192 Ca 0.63 -0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1ufu s LEU 192 Cb -0.37 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 1ufu s LEU 192 CO 0.32 -0.19 0.05 -0.70 -1.32 0.00 0.00 176.35 174.51 1ufu s GLU 193 N 1.44 3.30 0.27 1.98 2.12 -1.26 0.52 118.70 127.07 1ufu s GLU 193 Ca 0.01 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 1ufu s GLU 193 Cb -0.17 -3.27 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 1ufu s GLU 193 CO 0.01 -0.32 1.03 -0.51 -0.54 0.00 0.00 175.26 174.93 1ufu s LEU 194 N 1.52 4.58 0.00 2.70 1.43 -1.13 -4.95 118.68 122.83 1ufu s LEU 194 Ca 0.04 2.13 0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1ufu s LEU 194 Cb -0.16 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.51 1ufu s LEU 194 CO 0.01 -0.03 0.87 -0.11 0.23 0.00 0.00 176.35 177.33