#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifo s ALA 2 N 0.00 3.79 0.00 1.69 0.00 -1.26 -4.02 121.76 121.97 3ifo s ALA 2 Ca 0.00 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.29 3ifo s ALA 2 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.41 3ifo s ALA 2 CO 0.00 -1.07 0.20 0.95 0.00 0.00 0.00 175.76 175.84 3ifo s THR 3 N 2.13 0.08 0.01 0.00 -4.23 -0.47 -4.98 115.64 108.18 3ifo s THR 3 Ca 0.77 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3ifo s THR 3 Cb -0.45 -0.58 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 3ifo s THR 3 CO 0.34 -0.37 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.24 3ifo s LEU 4 N -1.51 2.09 -0.04 4.79 1.02 -1.26 -1.38 118.68 122.40 3ifo s LEU 4 Ca -0.13 -0.24 -0.02 0.00 0.02 0.00 0.00 54.13 53.77 3ifo s LEU 4 Cb -0.06 -0.18 0.03 0.00 0.02 0.00 0.00 46.19 46.01 3ifo s LEU 4 CO 0.01 -0.04 0.08 -0.75 0.02 0.00 0.00 176.35 175.67 3ifo s LYS 5 N -0.60 -0.03 0.34 1.70 2.20 -0.38 -4.05 119.74 118.91 3ifo s LYS 5 Ca -0.03 0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 3ifo s LYS 5 Cb -0.05 -0.37 -0.06 0.00 -1.51 0.00 0.00 37.83 35.85 3ifo s LYS 5 CO -0.00 -0.27 0.66 -1.21 -0.36 0.00 0.00 175.35 174.18 3ifo s GLU 6 N 1.78 3.73 -0.01 4.03 8.01 -1.26 -1.01 118.70 133.98 3ifo s GLU 6 Ca -0.01 0.28 -0.09 0.00 0.01 0.00 0.00 54.97 55.16 3ifo s GLU 6 Cb -0.12 -2.52 0.01 0.00 -4.31 0.00 0.00 34.13 27.19 3ifo s GLU 6 CO -0.04 0.10 0.18 -1.54 0.01 0.00 0.00 175.26 173.98 3ifo s SER 7 N -3.04 -0.04 0.19 -0.19 1.04 0.07 -4.81 113.70 106.91 3ifo s SER 7 Ca 0.48 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 3ifo s SER 7 Cb -0.11 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.30 3ifo s SER 7 CO 0.29 -0.36 0.42 0.61 0.98 0.00 0.00 173.24 175.18 3ifo n GLY 8 N 1.56 1.42 0.20 7.32 0.00 -1.26 -1.43 105.19 113.01 3ifo n GLY 8 Ca -0.21 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.76 3ifo n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ifo h PRO 9 N 0.00 0.00 0.00 1.61 0.11 -1.91 -3.48 132.00 128.32 3ifo h PRO 9 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3ifo h PRO 9 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3ifo h PRO 9 CO 0.21 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 3ifo n GLY 10 N 0.14 2.19 3.44 -0.55 0.00 -1.26 -4.82 105.19 104.33 3ifo n GLY 10 Ca -0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3ifo n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ifo s ILE 11 N 0.00 3.08 0.07 -0.61 1.01 -1.26 -0.63 121.20 122.86 3ifo s ILE 11 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3ifo s ILE 11 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3ifo s ILE 11 CO 0.00 0.56 0.09 -1.48 0.00 0.00 0.00 174.94 174.12 3ifo s LEU 12 N -0.29 1.90 0.28 2.97 0.05 0.05 -4.96 118.68 118.67 3ifo s LEU 12 Ca 0.02 -0.80 -0.28 0.00 0.05 0.00 0.00 54.13 53.12 3ifo s LEU 12 Cb -0.13 0.66 -0.09 0.00 -2.05 0.00 0.00 46.19 44.58 3ifo s LEU 12 CO 0.03 -0.66 0.94 -1.10 -0.55 0.00 0.00 176.35 175.01 3ifo s GLN 13 N -3.84 4.74 0.43 1.48 -1.52 -1.26 -1.25 119.66 118.44 3ifo s GLN 13 Ca 0.05 1.43 -0.24 0.00 -1.95 0.00 0.00 55.36 54.65 3ifo s GLN 13 Cb 0.06 -3.08 -0.10 0.00 -0.22 0.00 0.00 33.01 29.67 3ifo s GLN 13 CO -0.10 0.41 0.98 0.43 -0.25 0.00 0.00 175.29 176.76 3ifo n SER 14 N 1.10 1.11 0.00 5.90 7.64 -1.14 -2.37 113.62 125.86 3ifo n SER 14 Ca -0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3ifo n SER 14 Cb 0.48 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 3ifo n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ifo n SER 15 N 0.50 0.00 -4.08 6.43 3.41 0.19 -4.93 113.62 115.13 3ifo n SER 15 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.41 3ifo n SER 15 Cb 0.39 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.54 3ifo n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ifo s GLN 16 N -0.41 0.55 -0.19 4.33 -0.21 -1.00 -4.03 119.66 118.71 3ifo s GLN 16 Ca 0.00 -0.47 -0.09 0.00 0.02 0.00 0.00 55.36 54.82 3ifo s GLN 16 Cb 0.00 -1.85 -0.05 0.00 1.00 0.00 0.00 33.01 32.12 3ifo s GLN 16 CO 0.00 -2.47 0.11 0.99 -2.12 0.00 0.00 175.29 171.80 3ifo s THR 17 N -3.90 5.21 -0.24 -0.19 2.01 -1.26 -1.19 115.64 116.07 3ifo s THR 17 Ca 0.75 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.67 3ifo s THR 17 Cb -0.03 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3ifo s THR 17 CO 0.53 0.46 0.58 -0.22 -0.69 0.00 0.00 174.62 175.28 3ifo s LEU 18 N 0.28 4.08 -0.23 4.42 2.96 0.42 -4.93 118.68 125.68 3ifo s LEU 18 Ca 0.07 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 3ifo s LEU 18 Cb -0.11 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.78 3ifo s LEU 18 CO -0.01 -0.30 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.26 3ifo s SER 19 N 1.41 4.49 0.02 3.68 0.01 -1.26 -1.04 113.70 121.00 3ifo s SER 19 Ca 0.25 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.18 3ifo s SER 19 Cb -0.16 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 3ifo s SER 19 CO 0.09 -0.03 -0.07 -0.76 0.41 0.00 0.00 173.24 172.89 3ifo s LEU 20 N 1.51 3.18 -0.01 2.44 1.43 -0.28 -4.43 118.68 122.51 3ifo s LEU 20 Ca 0.06 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3ifo s LEU 20 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3ifo s LEU 20 CO -0.02 0.27 -0.17 -0.89 0.23 0.00 0.00 176.35 175.77 3ifo s THR 21 N -1.04 1.31 -0.15 5.49 2.01 -0.51 -1.71 115.64 121.04 3ifo s THR 21 Ca 0.18 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3ifo s THR 21 Cb -0.11 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.31 3ifo s THR 21 CO 0.09 0.37 -0.17 0.00 -0.69 0.00 0.00 174.62 174.22 3ifo s SER 23 N 0.84 4.43 0.33 0.00 0.01 -0.18 -0.96 113.70 118.18 3ifo s SER 23 Ca -0.05 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.01 3ifo s SER 23 Cb -0.15 -1.74 -0.06 0.00 0.21 0.00 0.00 66.02 64.28 3ifo s SER 23 CO -0.01 0.07 -0.09 0.72 0.41 0.00 0.00 173.24 174.34 3ifo s PHE 24 N 0.92 2.32 0.23 2.43 -0.71 -0.70 -1.25 117.98 121.22 3ifo s PHE 24 Ca -0.01 -0.53 -0.13 0.00 -1.04 0.00 0.00 56.93 55.22 3ifo s PHE 24 Cb -0.15 -1.33 0.00 0.00 -1.21 0.00 0.00 43.02 40.34 3ifo s PHE 24 CO 0.01 0.54 0.48 -1.54 -1.34 0.00 0.00 175.22 173.36 3ifo s SER 25 N -3.58 -0.11 0.00 1.98 1.04 -0.48 -4.84 113.70 107.72 3ifo s SER 25 Ca 0.32 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3ifo s SER 25 Cb 0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3ifo s SER 25 CO 0.16 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3ifo n GLY 26 N -0.37 0.78 3.71 7.32 0.00 -1.26 -1.37 105.19 114.01 3ifo n GLY 26 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 3ifo n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ifo s PHE 27 N -2.93 -0.19 -0.01 1.61 -0.71 -1.26 -4.21 117.98 110.27 3ifo s PHE 27 Ca 0.00 -0.10 0.07 0.00 -1.04 0.00 0.00 56.93 55.85 3ifo s PHE 27 Cb 0.00 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 3ifo s PHE 27 CO 0.00 -0.85 -0.21 0.45 -1.34 0.00 0.00 175.22 173.27 3ifo s SER 28 N -2.86 2.48 -0.00 1.98 0.15 -1.26 -5.00 113.70 109.18 3ifo s SER 28 Ca 0.10 -0.39 0.06 0.00 0.70 0.00 0.00 55.95 56.43 3ifo s SER 28 Cb -0.02 -0.27 0.18 0.00 -1.71 0.00 0.00 66.02 64.19 3ifo s SER 28 CO 0.00 0.26 1.13 0.18 1.20 0.00 0.00 173.24 176.01 3ifo n LEU 29 N 2.53 1.13 0.05 3.45 4.77 -1.26 -2.59 117.00 125.07 3ifo n LEU 29 Ca -0.15 -0.56 0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3ifo n LEU 29 Cb 0.53 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3ifo n LEU 29 CO 0.24 0.27 -0.30 -1.54 -1.33 0.00 0.00 177.39 174.72 3ifo n SER 30 N 0.09 0.47 -4.68 -1.43 3.41 -1.26 -4.36 113.62 105.86 3ifo n SER 30 Ca 0.07 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 3ifo n SER 30 Cb 0.19 1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 65.24 3ifo n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ifo s THR 31 N -3.41 3.34 0.03 6.66 2.01 -1.07 -4.92 115.64 118.29 3ifo s THR 31 Ca -0.03 0.68 -0.39 0.00 0.31 0.00 0.00 61.69 62.26 3ifo s THR 31 Cb 0.12 -3.44 -0.19 0.00 0.01 0.00 0.00 72.50 69.00 3ifo s THR 31 CO 0.84 -0.02 1.13 -0.24 -0.69 0.00 0.00 174.62 175.64 3ifo n SER 32 N 5.97 0.42 0.00 3.53 2.88 -1.26 -1.29 113.62 123.87 3ifo n SER 32 Ca 0.16 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 3ifo n SER 32 Cb 0.42 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 3ifo n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ifo n GLY 33 N 1.79 3.02 3.76 0.46 0.00 -1.26 -4.62 105.19 108.34 3ifo n GLY 33 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3ifo n GLY 33 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ifo s MET 34 N -0.27 3.21 -0.01 1.61 -2.45 -0.41 0.38 119.30 121.35 3ifo s MET 34 Ca 0.00 1.91 -0.29 0.00 -1.25 0.00 0.00 55.69 56.06 3ifo s MET 34 Cb 0.00 -2.13 0.10 0.00 1.25 0.00 0.00 34.83 34.06 3ifo s MET 34 CO 0.00 -1.04 1.02 0.20 1.05 0.00 0.00 175.02 176.25 3ifo s GLY 35 N -1.38 -0.37 -0.04 2.11 0.00 -1.25 -0.90 107.32 105.49 3ifo s GLY 35 Ca 0.73 0.91 0.02 0.00 0.00 0.00 0.00 44.72 46.37 3ifo s GLY 35 CO 0.37 0.28 -0.07 0.14 0.00 0.00 0.00 173.10 173.82 3ifo s VAL 36 N -2.93 0.68 0.19 1.40 1.01 -0.48 -1.11 120.40 119.17 3ifo s VAL 36 Ca 0.09 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3ifo s VAL 36 Cb -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3ifo s VAL 36 CO -0.05 0.24 0.13 -0.44 0.00 0.00 0.00 175.10 174.97 3ifo s SER 37 N 0.55 5.38 -0.13 3.32 0.01 -0.05 -1.21 113.70 121.58 3ifo s SER 37 Ca -0.08 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 3ifo s SER 37 Cb -0.12 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 3ifo s SER 37 CO 0.01 0.05 -0.05 0.26 0.41 0.00 0.00 173.24 173.92 3ifo s TRP 38 N -1.85 3.00 0.09 2.43 0.52 -0.19 -0.92 118.94 122.02 3ifo s TRP 38 Ca 0.31 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.28 3ifo s TRP 38 Cb -0.09 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 3ifo s TRP 38 CO 0.23 0.07 -0.18 0.42 0.02 0.00 0.00 176.95 177.51 3ifo s ILE 39 N 0.01 1.45 0.14 2.03 -1.09 -0.19 -0.61 121.20 122.94 3ifo s ILE 39 Ca 0.00 -1.43 0.04 0.00 -2.23 0.00 0.00 60.65 57.03 3ifo s ILE 39 Cb -0.13 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 3ifo s ILE 39 CO 0.03 -0.12 -0.09 0.00 -1.23 0.00 0.00 174.94 173.53 3ifo s ARG 40 N -1.80 1.01 -0.42 2.79 1.70 0.20 -0.22 118.95 122.21 3ifo s ARG 40 Ca 0.03 -1.43 0.02 0.00 -0.47 0.00 0.00 55.73 53.88 3ifo s ARG 40 Cb -0.10 -0.50 0.13 0.00 -0.57 0.00 0.00 34.95 33.91 3ifo s ARG 40 CO 0.03 0.04 0.20 -1.14 -1.08 0.00 0.00 175.30 173.36 3ifo s GLN 41 N -3.78 1.27 0.30 3.89 0.74 0.03 -0.56 119.66 121.55 3ifo s GLN 41 Ca 0.16 -1.90 -0.30 0.00 0.05 0.00 0.00 55.36 53.37 3ifo s GLN 41 Cb 0.03 -2.43 -0.12 0.00 1.10 0.00 0.00 33.01 31.60 3ifo s GLN 41 CO -0.01 -1.11 1.53 -2.30 -0.55 0.00 0.00 175.29 172.85 3ifo n PRO 42 N 3.76 2.56 -3.28 1.67 -0.02 -1.24 -2.26 135.00 136.20 3ifo n PRO 42 Ca 0.06 0.91 -0.06 0.00 -2.02 0.00 0.00 63.50 62.39 3ifo n PRO 42 Cb 0.36 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 3ifo n PRO 42 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ifo n SER 43 N 1.78 -0.24 -3.17 2.55 7.64 -0.89 0.49 113.62 121.78 3ifo n SER 43 Ca 0.07 -0.21 -0.23 0.00 1.01 0.00 0.00 58.87 59.52 3ifo n SER 43 Cb 0.36 -0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.32 3ifo n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ifo n GLY 44 N -1.19 -0.51 3.08 0.23 0.00 -1.15 -4.98 105.19 100.68 3ifo n GLY 44 Ca -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3ifo n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifo s LYS 45 N -5.84 0.22 0.27 1.61 3.01 0.18 -5.14 119.74 114.05 3ifo s LYS 45 Ca 0.34 0.65 0.00 0.00 -1.01 0.00 0.00 55.97 55.95 3ifo s LYS 45 Cb -0.17 -0.06 0.00 0.00 -1.01 0.00 0.00 37.83 36.59 3ifo s LYS 45 CO 0.42 -0.20 0.00 0.41 0.51 0.00 0.00 175.35 176.49 3ifo n GLY 46 N 4.60 -2.82 3.23 -3.33 0.00 -1.26 -3.69 105.19 101.93 3ifo n GLY 46 Ca -0.19 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 3ifo n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifo s LEU 47 N -5.58 2.05 -0.06 0.99 1.43 -1.26 -3.98 118.68 112.27 3ifo s LEU 47 Ca 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3ifo s LEU 47 Cb 0.00 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.15 3ifo s LEU 47 CO 0.00 0.26 -0.09 -0.70 0.23 0.00 0.00 176.35 176.05 3ifo s GLU 48 N -0.55 1.32 0.02 1.70 2.12 0.28 -4.97 118.70 118.61 3ifo s GLU 48 Ca 0.08 -0.27 -0.25 0.00 0.36 0.00 0.00 54.97 54.89 3ifo s GLU 48 Cb -0.08 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.09 3ifo s GLU 48 CO -0.01 -0.03 0.76 -0.46 -0.54 0.00 0.00 175.26 174.98 3ifo s TRP 49 N 0.82 3.70 -0.18 5.30 -0.00 -1.26 -0.63 118.94 126.68 3ifo s TRP 49 Ca -0.12 1.43 -0.08 0.00 -0.00 0.00 0.00 56.10 57.33 3ifo s TRP 49 Cb -0.15 -2.82 -0.08 0.00 -0.00 0.00 0.00 33.47 30.42 3ifo s TRP 49 CO 0.02 0.22 -0.22 1.28 -0.00 0.00 0.00 176.95 178.25 3ifo n LEU 50 N 3.05 1.51 -3.53 5.86 4.77 0.22 -4.65 117.00 124.23 3ifo n LEU 50 Ca -0.02 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3ifo n LEU 50 Cb 0.50 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3ifo n LEU 50 CO 0.47 0.43 0.67 0.00 -1.33 0.00 0.00 177.39 177.63 3ifo s ALA 51 N -2.33 -1.78 -0.00 -1.18 0.00 -1.23 -0.21 121.76 115.02 3ifo s ALA 51 Ca -0.25 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 3ifo s ALA 51 Cb 0.09 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 3ifo s ALA 51 CO 0.33 -0.75 0.03 -1.58 0.00 0.00 0.00 175.76 173.79 3ifo s HIS 52 N -3.20 0.05 -0.05 0.00 2.46 0.70 -1.02 115.29 114.23 3ifo s HIS 52 Ca 0.06 -0.10 0.04 0.00 0.47 0.00 0.00 55.06 55.53 3ifo s HIS 52 Cb -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.39 3ifo s HIS 52 CO -0.08 -0.09 -0.17 -1.50 -2.47 0.00 0.00 174.74 170.44 3ifo s ILE 53 N -0.52 1.41 0.36 0.89 2.07 -0.35 -1.22 121.20 123.84 3ifo s ILE 53 Ca -0.06 -0.69 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 3ifo s ILE 53 Cb -0.04 -1.22 -0.01 0.00 0.13 0.00 0.00 42.46 41.31 3ifo s ILE 53 CO -0.00 0.41 0.53 -0.31 -1.91 0.00 0.00 174.94 173.66 3ifo s TYR 54 N 0.17 3.27 0.52 3.50 1.51 -0.38 -1.38 117.35 124.55 3ifo s TYR 54 Ca -0.07 0.06 0.28 0.00 -1.01 0.00 0.00 57.07 56.33 3ifo s TYR 54 Cb -0.13 -2.02 1.40 0.00 -0.11 0.00 0.00 41.96 41.10 3ifo s TYR 54 CO 0.03 -0.04 1.91 0.11 -1.11 0.00 0.00 175.55 176.45 3ifo h TRP 55 N 0.74 0.09 -0.46 2.71 0.09 -1.22 -0.21 115.95 117.70 3ifo h TRP 55 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.51 3ifo h TRP 55 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.16 30.46 3ifo h TRP 55 CO 0.45 0.02 0.00 -0.40 0.09 0.00 0.00 178.44 178.61 3ifo n ASP 56 N -4.33 4.57 0.00 0.11 5.68 -1.26 -4.75 116.55 116.57 3ifo n ASP 56 Ca 0.17 -2.67 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 3ifo n ASP 56 Cb 0.84 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3ifo n ASP 56 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ifo n ASP 57 N 0.54 -0.18 -4.75 -1.12 2.03 -0.09 -5.00 116.55 107.97 3ifo n ASP 57 Ca 0.21 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.14 3ifo n ASP 57 Cb 0.95 -0.85 0.03 0.00 -0.72 0.00 0.00 41.12 40.53 3ifo n ASP 57 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ifo s ASP 58 N -2.64 5.41 0.01 1.67 2.15 -1.26 -4.80 116.67 117.22 3ifo s ASP 58 Ca 0.00 2.73 0.02 0.00 0.43 0.00 0.00 52.55 55.72 3ifo s ASP 58 Cb 0.00 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 3ifo s ASP 58 CO 0.00 -1.47 -0.05 -0.54 -0.17 0.00 0.00 175.17 172.94 3ifo s LYS 59 N -2.85 0.40 -0.00 4.34 1.02 -1.26 -1.25 119.74 120.14 3ifo s LYS 59 Ca 0.70 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.32 3ifo s LYS 59 Cb -0.39 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 3ifo s LYS 59 CO 0.47 0.07 -0.01 0.50 -0.92 0.00 0.00 175.35 175.46 3ifo s ARG 60 N -0.65 0.12 0.11 1.68 6.06 -0.35 -5.00 118.95 120.91 3ifo s ARG 60 Ca -0.03 -0.03 0.09 0.00 -2.50 0.00 0.00 55.73 53.25 3ifo s ARG 60 Cb -0.05 -0.14 -0.04 0.00 0.06 0.00 0.00 34.95 34.79 3ifo s ARG 60 CO -0.00 0.01 -0.22 0.71 -2.50 0.00 0.00 175.30 173.30 3ifo s TYR 61 N 0.07 1.88 -0.10 5.12 2.02 -1.26 -0.22 117.35 124.85 3ifo s TYR 61 Ca -0.00 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 55.98 3ifo s TYR 61 Cb -0.02 -1.03 -0.09 0.00 -0.40 0.00 0.00 41.96 40.43 3ifo s TYR 61 CO -0.00 0.23 2.05 -1.71 -1.57 0.00 0.00 175.55 174.54 3ifo n ASN 62 N 1.06 3.58 -0.27 2.29 2.85 0.70 -4.89 115.26 120.58 3ifo n ASN 62 Ca -0.19 0.67 0.03 0.00 -0.11 0.00 0.00 54.58 54.98 3ifo n ASN 62 Cb 0.53 -1.48 0.17 0.00 1.24 0.00 0.00 39.78 40.25 3ifo n ASN 62 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ifo h PRO 63 N 11.77 0.63 0.00 1.20 0.11 -1.95 -0.58 132.00 143.16 3ifo h PRO 63 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3ifo h PRO 63 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ifo h PRO 63 CO 0.95 0.41 -0.06 0.66 -0.21 0.00 0.00 178.00 179.76 3ifo h SER 64 N 0.65 0.00 -0.04 -2.05 4.64 -1.99 -2.75 113.55 112.01 3ifo h SER 64 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3ifo h SER 64 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3ifo h SER 64 CO -0.30 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 175.91 3ifo n LEU 65 N -3.71 1.93 -0.34 5.97 4.77 -0.58 -4.76 117.00 120.29 3ifo n LEU 65 Ca -0.02 -1.08 0.04 0.00 -0.03 0.00 0.00 56.01 54.92 3ifo n LEU 65 Cb 0.16 -0.02 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 3ifo n LEU 65 CO 0.29 0.38 1.21 0.50 -1.33 0.00 0.00 177.39 178.44 3ifo h LYS 66 N 1.99 0.97 0.00 3.23 3.64 -0.83 0.75 116.57 126.32 3ifo h LYS 66 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3ifo h LYS 66 Cb 0.45 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ifo h LYS 66 CO 0.00 0.64 0.00 0.66 -2.27 0.00 0.00 179.45 178.48 3ifo h SER 67 N 0.99 0.00 -0.01 4.20 4.64 -1.85 -1.68 113.55 119.84 3ifo h SER 67 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3ifo h SER 67 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ifo h SER 67 CO -0.22 0.00 -0.59 0.54 -0.87 0.00 0.00 176.83 175.69 3ifo n ARG 68 N -2.97 1.27 -4.31 4.77 1.74 0.23 -4.96 116.66 112.44 3ifo n ARG 68 Ca -0.02 -0.54 -0.35 0.00 -0.77 0.00 0.00 57.85 56.17 3ifo n ARG 68 Cb 0.12 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 3ifo n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ifo s LEU 69 N -2.50 3.58 -0.08 0.55 1.43 -0.63 -1.82 118.68 119.21 3ifo s LEU 69 Ca 0.12 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3ifo s LEU 69 Cb 0.15 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3ifo s LEU 69 CO 0.59 0.31 0.04 -0.89 0.23 0.00 0.00 176.35 176.63 3ifo s THR 70 N -0.48 0.13 0.06 5.49 2.01 -0.61 -4.94 115.64 117.30 3ifo s THR 70 Ca 0.09 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.31 3ifo s THR 70 Cb -0.12 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 3ifo s THR 70 CO 0.02 0.13 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.53 3ifo s ILE 71 N 2.07 3.75 0.30 1.82 2.07 -1.26 -0.62 121.20 129.32 3ifo s ILE 71 Ca 0.04 -0.98 -0.20 0.00 -1.41 0.00 0.00 60.65 58.10 3ifo s ILE 71 Cb -0.13 -2.73 0.03 0.00 0.13 0.00 0.00 42.46 39.77 3ifo s ILE 71 CO -0.05 0.21 0.77 -0.94 -1.91 0.00 0.00 174.94 173.02 3ifo s SER 72 N -1.99 -0.17 0.07 4.50 1.04 -0.62 -5.00 113.70 111.53 3ifo s SER 72 Ca 0.22 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.84 3ifo s SER 72 Cb -0.11 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3ifo s SER 72 CO 0.14 -1.40 0.12 -1.59 0.98 0.00 0.00 173.24 171.49 3ifo s LYS 73 N -3.38 0.76 -0.35 4.02 -2.85 -1.26 -0.32 119.74 116.36 3ifo s LYS 73 Ca 0.13 -1.00 0.02 0.00 -1.00 0.00 0.00 55.97 54.11 3ifo s LYS 73 Cb -0.05 0.30 0.11 0.00 -2.06 0.00 0.00 37.83 36.12 3ifo s LYS 73 CO 0.08 -0.21 0.11 0.34 0.10 0.00 0.00 175.35 175.76 3ifo s ASP 74 N -2.79 4.27 0.22 0.03 -1.08 0.55 -4.98 116.67 112.89 3ifo s ASP 74 Ca 0.04 -2.04 -0.06 0.00 -0.52 0.00 0.00 52.55 49.97 3ifo s ASP 74 Cb 0.05 -1.21 0.20 0.00 -1.46 0.00 0.00 42.92 40.50 3ifo s ASP 74 CO -0.10 -0.37 1.75 0.71 0.52 0.00 0.00 175.17 177.68 3ifo h THR 75 N 6.31 1.25 -0.87 1.71 1.35 -1.96 -0.52 112.91 120.18 3ifo h THR 75 Ca -0.08 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.85 3ifo h THR 75 Cb 1.00 0.54 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 3ifo h THR 75 CO 0.50 0.36 0.52 0.77 -0.25 0.00 0.00 175.52 177.42 3ifo h SER 76 N 1.02 1.06 0.55 5.36 4.64 -1.95 -2.17 113.55 122.05 3ifo h SER 76 Ca 0.22 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3ifo h SER 76 Cb 0.34 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3ifo h SER 76 CO -0.00 0.82 -0.19 0.54 -0.87 0.00 0.00 176.83 177.13 3ifo n ARG 77 N -4.40 0.34 -3.17 4.77 1.74 -0.98 -4.94 116.66 110.01 3ifo n ARG 77 Ca 0.09 -0.13 -0.14 0.00 -0.77 0.00 0.00 57.85 56.90 3ifo n ARG 77 Cb 0.06 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.08 3ifo n ARG 77 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ifo n LYS 78 N -1.22 -5.29 -4.13 5.56 4.76 -0.28 -4.86 118.16 112.70 3ifo n LYS 78 Ca 0.10 0.70 -0.16 0.00 -2.87 0.00 0.00 58.31 56.09 3ifo n LYS 78 Cb 0.31 -5.27 -0.12 0.00 -1.84 0.00 0.00 35.03 28.11 3ifo n LYS 78 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3ifo s GLN 79 N -5.07 0.65 0.01 1.97 -0.21 -0.76 -1.73 119.66 114.52 3ifo s GLN 79 Ca 0.02 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.68 3ifo s GLN 79 Cb -0.00 -0.53 -0.02 0.00 1.00 0.00 0.00 33.01 33.46 3ifo s GLN 79 CO 0.60 0.11 -0.16 0.08 -2.12 0.00 0.00 175.29 173.80 3ifo s VAL 80 N -1.20 1.30 0.08 1.09 1.01 -0.14 -0.33 120.40 122.22 3ifo s VAL 80 Ca -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3ifo s VAL 80 Cb -0.09 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3ifo s VAL 80 CO 0.01 0.26 -0.20 -0.36 0.00 0.00 0.00 175.10 174.81 3ifo s PHE 81 N -0.55 1.72 -0.06 5.22 0.08 0.56 0.07 117.98 125.03 3ifo s PHE 81 Ca 0.05 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.70 3ifo s PHE 81 Cb -0.07 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 3ifo s PHE 81 CO 0.00 0.15 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.07 3ifo s LEU 82 N -1.64 1.09 -0.10 -0.37 2.96 -0.69 -1.59 118.68 118.34 3ifo s LEU 82 Ca 0.06 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3ifo s LEU 82 Cb -0.10 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 3ifo s LEU 82 CO 0.03 -0.10 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.38 3ifo s LYS 83 N 1.32 3.07 -0.19 1.98 1.02 0.21 -1.12 119.74 126.02 3ifo s LYS 83 Ca -0.05 -0.49 -0.00 0.00 0.02 0.00 0.00 55.97 55.45 3ifo s LYS 83 Cb -0.14 -2.74 0.05 0.00 -0.52 0.00 0.00 37.83 34.48 3ifo s LYS 83 CO -0.02 0.57 -0.04 0.42 -0.92 0.00 0.00 175.35 175.35 3ifo s ILE 84 N -0.52 1.21 0.43 2.17 1.01 -0.21 -1.57 121.20 123.71 3ifo s ILE 84 Ca 0.08 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3ifo s ILE 84 Cb -0.12 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 3ifo s ILE 84 CO 0.02 0.01 0.81 0.42 0.00 0.00 0.00 174.94 176.20 3ifo s THR 85 N 1.57 4.76 -1.24 2.92 -4.23 -0.76 -0.44 115.64 118.23 3ifo s THR 85 Ca -0.02 0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 3ifo s THR 85 Cb -0.17 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3ifo s THR 85 CO -0.07 -0.59 0.96 -0.24 -0.54 0.00 0.00 174.62 174.13 3ifo n SER 86 N -1.46 -2.22 -4.76 3.99 2.88 -0.73 -4.92 113.62 106.40 3ifo n SER 86 Ca 0.03 -0.65 -0.31 0.00 -1.33 0.00 0.00 58.87 56.61 3ifo n SER 86 Cb 0.54 -4.91 0.10 0.00 -0.75 0.00 0.00 64.21 59.19 3ifo n SER 86 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3ifo s VAL 87 N -3.41 3.18 0.13 2.46 -7.23 -0.33 -4.60 120.40 110.59 3ifo s VAL 87 Ca 0.05 0.38 -0.10 0.00 -1.81 0.00 0.00 61.98 60.50 3ifo s VAL 87 Cb -0.02 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.03 3ifo s VAL 87 CO 0.75 -0.50 0.26 -0.62 -0.31 0.00 0.00 175.10 174.68 3ifo s ASP 88 N -3.44 0.03 0.45 4.85 2.15 -1.26 0.52 116.67 119.98 3ifo s ASP 88 Ca 0.62 -0.69 0.23 0.00 0.43 0.00 0.00 52.55 53.13 3ifo s ASP 88 Cb -0.17 0.40 1.23 0.00 -0.30 0.00 0.00 42.92 44.08 3ifo s ASP 88 CO 0.56 -0.82 1.65 -0.65 -0.17 0.00 0.00 175.17 175.74 3ifo h PRO 89 N 2.60 0.00 0.00 4.34 0.11 -1.98 0.46 132.00 137.53 3ifo h PRO 89 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ifo h PRO 89 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ifo h PRO 89 CO 0.51 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 3ifo n ALA 90 N -1.75 1.66 1.40 -0.75 0.00 -1.26 -1.89 120.51 117.91 3ifo n ALA 90 Ca -0.02 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3ifo n ALA 90 Cb 0.24 -1.34 0.47 0.00 0.00 0.00 0.00 19.45 18.82 3ifo n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ifo n ASP 91 N -2.02 1.48 -4.67 0.00 8.00 0.16 -4.84 116.55 114.66 3ifo n ASP 91 Ca 0.03 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 3ifo n ASP 91 Cb 0.21 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3ifo n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ifo s THR 92 N -1.90 3.60 -0.08 -3.53 2.01 -0.80 -4.80 115.64 110.15 3ifo s THR 92 Ca 0.35 0.80 -0.32 0.00 0.31 0.00 0.00 61.69 62.83 3ifo s THR 92 Cb 0.19 -3.52 0.13 0.00 0.01 0.00 0.00 72.50 69.31 3ifo s THR 92 CO 0.30 -0.06 1.23 0.00 -0.69 0.00 0.00 174.62 175.40 3ifo s ALA 93 N 3.65 -2.14 -0.12 7.40 0.00 -0.64 -2.09 121.76 127.83 3ifo s ALA 93 Ca 0.71 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 53.48 3ifo s ALA 93 Cb -0.33 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3ifo s ALA 93 CO 0.28 -0.86 0.74 0.99 0.00 0.00 0.00 175.76 176.91 3ifo s THR 94 N -2.47 4.99 -0.22 0.00 2.01 -0.96 -0.94 115.64 118.05 3ifo s THR 94 Ca 0.12 1.48 -0.09 0.00 0.31 0.00 0.00 61.69 63.51 3ifo s THR 94 Cb 0.02 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3ifo s THR 94 CO -0.04 0.16 0.12 -0.31 -0.69 0.00 0.00 174.62 173.86 3ifo s TYR 95 N 1.39 3.30 -0.04 4.92 1.51 0.36 -0.79 117.35 128.00 3ifo s TYR 95 Ca 0.37 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.64 3ifo s TYR 95 Cb -0.17 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3ifo s TYR 95 CO 0.15 0.11 -0.14 0.71 -1.11 0.00 0.00 175.55 175.27 3ifo s TYR 96 N 0.78 2.69 -0.16 2.71 2.02 0.70 -0.86 117.35 125.23 3ifo s TYR 96 Ca 0.06 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3ifo s TYR 96 Cb -0.13 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 3ifo s TYR 96 CO 0.02 0.20 0.08 0.00 -1.57 0.00 0.00 175.55 174.28 3ifo s VAL 98 N -0.13 0.29 0.02 0.00 -7.23 -0.10 -1.29 120.40 111.96 3ifo s VAL 98 Ca 0.08 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 3ifo s VAL 98 Cb -0.12 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 3ifo s VAL 98 CO 0.01 -0.23 0.96 -0.60 -0.31 0.00 0.00 175.10 174.93 3ifo s ARG 99 N -0.93 4.58 -0.34 4.82 3.52 0.41 -0.87 118.95 130.14 3ifo s ARG 99 Ca -0.07 1.40 -0.00 0.00 -0.13 0.00 0.00 55.73 56.93 3ifo s ARG 99 Cb -0.06 -3.44 0.14 0.00 -1.56 0.00 0.00 34.95 30.02 3ifo s ARG 99 CO -0.00 0.01 0.21 0.50 -0.81 0.00 0.00 175.30 175.21 3ifo s ARG 100 N 0.78 0.50 0.58 5.12 3.00 -0.26 -2.29 118.95 126.38 3ifo s ARG 100 Ca 0.50 -1.16 -0.15 0.00 -1.00 0.00 0.00 55.73 53.92 3ifo s ARG 100 Cb -0.21 -1.23 -0.04 0.00 0.00 0.00 0.00 34.95 33.47 3ifo s ARG 100 CO 0.28 -1.18 1.03 -2.14 0.00 0.00 0.00 175.30 173.29 3ifo s PRO 101 N 1.26 3.50 0.48 5.12 0.02 -1.25 -3.85 135.00 140.28 3ifo s PRO 101 Ca 0.17 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.23 3ifo s PRO 101 Cb -0.21 -2.07 -0.00 0.00 0.02 0.00 0.00 34.50 32.24 3ifo s PRO 101 CO -0.05 -0.65 0.01 0.44 -0.33 0.00 0.00 177.00 176.42 3ifo n ILE 102 N -2.09 0.00 -1.45 2.83 -5.35 0.16 -3.74 119.36 109.72 3ifo n ILE 102 Ca 0.08 -2.27 -0.45 0.00 -0.27 0.00 0.00 62.75 59.83 3ifo n ILE 102 Cb 0.53 0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 38.89 3ifo n ILE 102 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3ifo n THR 103 N -1.18 1.83 0.87 7.28 -1.04 -1.26 -1.52 114.28 119.25 3ifo n THR 103 Ca -0.19 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 61.42 3ifo n THR 103 Cb 0.61 -0.34 0.48 0.00 -1.82 0.00 0.00 70.33 69.26 3ifo n THR 103 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ifo n PRO 104 N 0.90 0.19 -2.01 -2.82 -0.04 -1.26 -4.23 135.00 125.73 3ifo n PRO 104 Ca 0.14 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 3ifo n PRO 104 Cb 0.31 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 3ifo n PRO 104 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ifo s VAL 105 N -2.71 2.83 0.12 0.52 1.01 -0.57 -4.91 120.40 116.69 3ifo s VAL 105 Ca 0.16 0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.61 3ifo s VAL 105 Cb 0.13 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3ifo s VAL 105 CO 0.33 0.05 1.48 -0.07 0.00 0.00 0.00 175.10 176.89 3ifo h LEU 106 N 6.66 0.84 -7.93 3.92 3.38 -1.96 -3.37 115.31 116.85 3ifo h LEU 106 Ca -0.43 -0.43 -0.68 0.00 0.09 0.00 0.00 57.88 56.44 3ifo h LEU 106 Cb 1.21 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 3ifo h LEU 106 CO 0.89 1.09 1.34 -0.69 0.09 0.00 0.00 178.44 181.16 3ifo s VAL 107 N -4.54 4.50 -0.86 1.22 1.01 -1.26 -4.92 120.40 115.55 3ifo s VAL 107 Ca -0.12 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.00 3ifo s VAL 107 Cb 0.10 -4.95 0.13 0.00 0.00 0.00 0.00 36.38 31.66 3ifo s VAL 107 CO 0.84 -1.73 1.03 -0.62 0.00 0.00 0.00 175.10 174.63 3ifo s ASP 108 N 3.88 6.55 -0.09 3.32 -1.08 -1.26 -4.46 116.67 123.53 3ifo s ASP 108 Ca 0.42 -1.94 -0.32 0.00 -0.52 0.00 0.00 52.55 50.18 3ifo s ASP 108 Cb -0.02 -2.37 0.13 0.00 -1.46 0.00 0.00 42.92 39.20 3ifo s ASP 108 CO -0.05 -1.06 1.32 0.00 0.52 0.00 0.00 175.17 175.91 3ifo s ALA 109 N 2.57 -2.28 -1.07 3.66 0.00 -1.24 -5.01 121.76 118.39 3ifo s ALA 109 Ca 0.28 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 3ifo s ALA 109 Cb -0.08 0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.34 3ifo s ALA 109 CO -0.06 -0.94 1.35 -1.64 0.00 0.00 0.00 175.76 174.47 3ifo s MET 110 N -2.29 3.77 0.30 0.00 -1.94 -1.26 -3.93 119.30 113.95 3ifo s MET 110 Ca 0.13 -1.85 0.19 0.00 -1.71 0.00 0.00 55.69 52.45 3ifo s MET 110 Cb 0.04 -5.13 0.13 0.00 2.01 0.00 0.00 34.83 31.88 3ifo s MET 110 CO -0.05 -1.93 1.39 0.38 -0.01 0.00 0.00 175.02 174.81 3ifo h ASP 111 N 8.47 0.00 -3.39 3.03 2.03 -1.80 -3.44 116.42 121.31 3ifo h ASP 111 Ca 0.24 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 56.14 3ifo h ASP 111 Cb 0.96 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 39.11 3ifo h ASP 111 CO 1.26 0.29 -0.76 -0.31 -1.03 0.00 0.00 179.24 178.69 3ifo s TYR 112 N -3.08 0.58 0.03 4.15 2.02 -1.25 -5.02 117.35 114.78 3ifo s TYR 112 Ca 0.04 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 3ifo s TYR 112 Cb 0.07 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 3ifo s TYR 112 CO 0.73 -0.22 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.79 3ifo s TRP 113 N 1.34 2.72 1.23 2.71 0.52 -1.26 -0.45 118.94 125.76 3ifo s TRP 113 Ca -0.05 -0.15 -0.20 0.00 0.02 0.00 0.00 56.10 55.72 3ifo s TRP 113 Cb -0.13 -1.53 0.30 0.00 -1.15 0.00 0.00 33.47 30.96 3ifo s TRP 113 CO -0.02 0.32 1.11 0.20 0.02 0.00 0.00 176.95 178.57 3ifo s GLY 114 N -1.48 1.58 0.19 0.98 0.00 -0.41 -4.66 107.32 103.52 3ifo s GLY 114 Ca 0.16 -1.01 0.26 0.00 0.00 0.00 0.00 44.72 44.13 3ifo s GLY 114 CO 0.07 -0.09 1.78 -1.06 0.00 0.00 0.00 173.10 173.80 3ifo n GLN 115 N -4.84 0.23 0.00 2.90 1.13 -1.26 -4.88 117.38 110.66 3ifo n GLN 115 Ca 0.14 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 3ifo n GLN 115 Cb 0.60 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 29.16 3ifo n GLN 115 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ifo n GLY 116 N 1.21 -0.05 3.06 1.08 0.00 -1.26 -5.03 105.19 104.19 3ifo n GLY 116 Ca 0.05 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 3ifo n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ifo s THR 117 N -2.93 1.23 -0.12 2.61 -1.32 -0.03 -4.80 115.64 110.27 3ifo s THR 117 Ca 0.00 -0.55 -0.26 0.00 -1.21 0.00 0.00 61.69 59.67 3ifo s THR 117 Cb 0.00 -1.10 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 3ifo s THR 117 CO 0.00 0.37 0.83 -0.55 -2.21 0.00 0.00 174.62 173.06 3ifo s SER 118 N 0.48 7.04 -0.12 8.08 0.15 -1.26 -0.49 113.70 127.58 3ifo s SER 118 Ca -0.12 1.27 0.03 0.00 0.70 0.00 0.00 55.95 57.84 3ifo s SER 118 Cb -0.14 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3ifo s SER 118 CO 0.04 -0.31 -0.23 -0.69 1.20 0.00 0.00 173.24 173.24 3ifo s VAL 119 N 1.65 2.09 -0.18 4.45 1.01 -0.12 -4.18 120.40 125.14 3ifo s VAL 119 Ca 0.41 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3ifo s VAL 119 Cb -0.18 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3ifo s VAL 119 CO 0.16 0.56 -0.08 -0.89 0.00 0.00 0.00 175.10 174.85 3ifo s THR 120 N 0.51 3.31 -0.22 3.92 2.01 0.20 -1.62 115.64 123.74 3ifo s THR 120 Ca -0.15 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 3ifo s THR 120 Cb -0.17 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 3ifo s THR 120 CO 0.05 0.47 0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 3ifo s VAL 121 N 0.91 3.85 0.10 3.82 1.01 -1.26 -0.77 120.40 128.05 3ifo s VAL 121 Ca -0.02 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 3ifo s VAL 121 Cb -0.15 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.52 3ifo s VAL 121 CO 0.00 0.40 0.50 -0.55 0.00 0.00 0.00 175.10 175.46 3ifo s SER 122 N 1.38 -0.41 0.00 3.32 0.15 -0.38 -4.13 113.70 113.63 3ifo s SER 122 Ca 0.05 -0.03 0.26 0.00 0.70 0.00 0.00 55.95 56.93 3ifo s SER 122 Cb -0.15 0.52 0.70 0.00 -1.71 0.00 0.00 66.02 65.38 3ifo s SER 122 CO 0.01 -0.83 1.54 -1.20 1.20 0.00 0.00 173.24 173.96 3ifo n SER 123 N -0.01 0.55 -4.69 5.45 7.64 -1.26 -2.88 113.62 118.42 3ifo n SER 123 Ca -0.17 -0.33 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 3ifo n SER 123 Cb 0.63 0.11 0.15 0.00 -1.01 0.00 0.00 64.21 64.09 3ifo n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ifo s ALA 124 N -2.85 1.40 0.15 -0.43 0.00 -1.26 -5.02 121.76 113.75 3ifo s ALA 124 Ca 0.16 0.10 0.11 0.00 0.00 0.00 0.00 51.96 52.32 3ifo s ALA 124 Cb 0.18 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3ifo s ALA 124 CO 0.62 -2.51 -0.25 -1.59 0.00 0.00 0.00 175.76 172.04 3ifo s LYS 125 N -4.82 1.41 0.11 0.00 -2.85 -1.26 -5.04 119.74 107.28 3ifo s LYS 125 Ca 0.64 -1.40 -0.35 0.00 -1.00 0.00 0.00 55.97 53.86 3ifo s LYS 125 Cb -0.20 -1.79 -0.17 0.00 -2.06 0.00 0.00 37.83 33.62 3ifo s LYS 125 CO 0.58 0.41 1.22 2.41 0.10 0.00 0.00 175.35 180.06 3ifo n THR 126 N 0.65 0.39 -3.68 3.79 -1.04 -1.26 -4.65 114.28 108.48 3ifo n THR 126 Ca -0.16 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.66 3ifo n THR 126 Cb 0.54 -0.70 -0.10 0.00 -1.82 0.00 0.00 70.33 68.25 3ifo n THR 126 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3ifo s THR 127 N 0.13 -0.26 0.66 12.58 2.01 0.12 -4.91 115.64 125.96 3ifo s THR 127 Ca 0.80 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.77 3ifo s THR 127 Cb -0.96 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 3ifo s THR 127 CO 0.50 0.05 1.14 -2.84 -0.69 0.00 0.00 174.62 172.79 3ifo s PRO 128 N 1.88 2.72 0.48 4.92 0.02 -1.26 -1.03 135.00 142.73 3ifo s PRO 128 Ca -0.07 1.54 -0.21 0.00 0.02 0.00 0.00 61.00 62.29 3ifo s PRO 128 Cb -0.10 -1.93 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 3ifo s PRO 128 CO -0.13 -1.34 1.09 -1.25 -0.33 0.00 0.00 177.00 175.04 3ifo s PRO 129 N -3.89 3.73 0.02 5.54 0.05 -1.26 -4.42 135.00 134.78 3ifo s PRO 129 Ca 0.70 1.54 -0.18 0.00 0.05 0.00 0.00 61.00 63.11 3ifo s PRO 129 Cb -0.24 -2.21 -0.06 0.00 0.05 0.00 0.00 34.50 32.05 3ifo s PRO 129 CO 0.40 -0.53 0.53 -1.12 0.05 0.00 0.00 177.00 176.33 3ifo s SER 130 N -1.73 6.95 -0.19 6.66 0.01 -0.37 -4.90 113.70 120.14 3ifo s SER 130 Ca 0.67 1.13 -0.00 0.00 1.31 0.00 0.00 55.95 59.05 3ifo s SER 130 Cb -0.22 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.69 3ifo s SER 130 CO 0.26 0.23 -0.15 -0.69 0.41 0.00 0.00 173.24 173.30 3ifo s VAL 131 N -0.77 2.54 -0.08 3.43 1.01 -1.26 -0.97 120.40 124.30 3ifo s VAL 131 Ca 0.28 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3ifo s VAL 131 Cb -0.18 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3ifo s VAL 131 CO 0.17 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.24 3ifo s TYR 132 N 1.24 2.55 0.42 5.22 2.02 -0.08 -4.97 117.35 123.75 3ifo s TYR 132 Ca 0.03 -0.69 -0.23 0.00 -0.37 0.00 0.00 57.07 55.81 3ifo s TYR 132 Cb -0.14 -1.66 -0.09 0.00 -0.40 0.00 0.00 41.96 39.67 3ifo s TYR 132 CO -0.07 -0.20 1.04 -2.14 -1.57 0.00 0.00 175.55 172.60 3ifo s PRO 133 N -0.07 4.09 -0.25 -1.71 0.02 -1.26 -0.26 135.00 135.56 3ifo s PRO 133 Ca -0.05 1.45 0.02 0.00 0.02 0.00 0.00 61.00 62.44 3ifo s PRO 133 Cb -0.14 -2.42 0.06 0.00 0.02 0.00 0.00 34.50 32.01 3ifo s PRO 133 CO 0.04 -0.19 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.91 3ifo s LEU 134 N -2.86 3.19 0.12 -5.54 1.43 0.35 -4.84 118.68 110.53 3ifo s LEU 134 Ca 0.60 -1.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.47 3ifo s LEU 134 Cb -0.20 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3ifo s LEU 134 CO 0.25 -0.19 -0.19 0.00 0.23 0.00 0.00 176.35 176.45 3ifo s ALA 135 N 1.17 1.75 0.00 4.21 0.00 -1.26 -2.06 121.76 125.57 3ifo s ALA 135 Ca -0.08 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.60 3ifo s ALA 135 Cb -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3ifo s ALA 135 CO -0.06 0.28 0.00 -2.30 0.00 0.00 0.00 175.76 173.69 3ifo n PRO 136 N 0.86 0.00 0.00 0.00 -0.02 -1.26 -4.85 135.00 129.73 3ifo n PRO 136 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3ifo n PRO 136 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3ifo n PRO 136 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ifo n SER 144 N 0.00 0.00 -4.95 2.55 2.88 -1.26 -3.48 113.62 109.36 3ifo n SER 144 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 3ifo n SER 144 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3ifo n SER 144 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3ifo s MET 145 N 0.00 2.71 -0.06 -1.46 1.00 -1.26 -1.94 119.30 118.30 3ifo s MET 145 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 55.69 55.18 3ifo s MET 145 Cb 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 34.83 32.43 3ifo s MET 145 CO 0.00 -0.66 0.13 0.54 0.00 0.00 0.00 175.02 175.03 3ifo s VAL 146 N -2.82 -0.02 -0.22 -6.03 0.11 0.23 -4.72 120.40 106.93 3ifo s VAL 146 Ca 0.54 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.60 3ifo s VAL 146 Cb -0.10 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3ifo s VAL 146 CO 0.40 0.03 0.09 -0.89 -3.33 0.00 0.00 175.10 171.41 3ifo s THR 147 N 0.58 4.74 0.49 5.04 2.01 -1.26 -0.66 115.64 126.58 3ifo s THR 147 Ca -0.04 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.95 3ifo s THR 147 Cb -0.06 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 3ifo s THR 147 CO -0.03 0.39 0.06 -0.76 -0.69 0.00 0.00 174.62 173.59 3ifo s LEU 148 N 1.00 2.51 0.00 4.42 1.43 -0.28 -4.64 118.68 123.12 3ifo s LEU 148 Ca 0.05 -1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 51.42 3ifo s LEU 148 Cb -0.14 -0.87 0.07 0.00 0.03 0.00 0.00 46.19 45.29 3ifo s LEU 148 CO 0.03 -0.78 0.96 0.61 0.23 0.00 0.00 176.35 177.40 3ifo n GLY 149 N -1.26 0.47 2.96 -3.19 0.00 -0.88 -1.15 105.19 102.14 3ifo n GLY 149 Ca -0.13 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 3ifo n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifo s LEU 151 N -1.09 3.53 -0.35 0.00 2.96 0.64 -1.45 118.68 122.91 3ifo s LEU 151 Ca -0.12 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3ifo s LEU 151 Cb -0.07 -1.92 0.09 0.00 0.50 0.00 0.00 46.19 44.78 3ifo s LEU 151 CO -0.01 0.04 0.10 -0.69 -1.32 0.00 0.00 176.35 174.47 3ifo s VAL 152 N 1.15 2.98 -0.06 1.68 1.01 0.11 -0.91 120.40 126.37 3ifo s VAL 152 Ca 0.04 -1.85 0.05 0.00 0.00 0.00 0.00 61.98 60.22 3ifo s VAL 152 Cb -0.14 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3ifo s VAL 152 CO 0.03 -0.45 -0.22 -0.75 0.00 0.00 0.00 175.10 173.71 3ifo s LYS 153 N 1.14 2.30 -0.43 2.72 2.20 -0.15 -0.10 119.74 127.42 3ifo s LYS 153 Ca 0.03 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 3ifo s LYS 153 Cb -0.21 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 3ifo s LYS 153 CO -0.04 0.31 0.37 0.41 -0.36 0.00 0.00 175.35 176.04 3ifo n GLY 154 N 3.08 0.29 3.76 5.54 0.00 0.04 -1.24 105.19 116.66 3ifo n GLY 154 Ca -0.18 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3ifo n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ifo s TYR 155 N -3.12 2.72 -0.28 1.61 1.13 -0.32 -4.56 117.35 114.53 3ifo s TYR 155 Ca 0.09 -0.41 -0.21 0.00 -1.41 0.00 0.00 57.07 55.12 3ifo s TYR 155 Cb -0.04 -1.76 0.10 0.00 -1.10 0.00 0.00 41.96 39.17 3ifo s TYR 155 CO 0.25 0.25 0.85 0.12 -2.51 0.00 0.00 175.55 174.51 3ifo s PHE 156 N -2.44 -0.72 0.45 -3.49 5.36 -0.20 -0.80 117.98 116.13 3ifo s PHE 156 Ca 0.40 1.61 0.02 0.00 -0.96 0.00 0.00 56.93 57.99 3ifo s PHE 156 Cb -0.02 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.14 3ifo s PHE 156 CO 0.24 -0.35 0.62 -0.35 -1.46 0.00 0.00 175.22 173.91 3ifo n PRO 157 N 3.08 0.32 -1.77 10.12 -0.04 -1.26 0.12 135.00 145.57 3ifo n PRO 157 Ca -0.16 -1.85 -0.36 0.00 -0.04 0.00 0.00 63.50 61.09 3ifo n PRO 157 Cb 0.57 -0.35 0.06 0.00 -0.04 0.00 0.00 33.50 33.73 3ifo n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ifo s GLU 158 N -4.03 2.61 0.43 0.54 0.41 -1.26 -4.70 118.70 112.70 3ifo s GLU 158 Ca 0.42 1.91 0.07 0.00 -0.41 0.00 0.00 54.97 56.97 3ifo s GLU 158 Cb -0.03 -1.87 -0.01 0.00 -1.78 0.00 0.00 34.13 30.44 3ifo s GLU 158 CO 0.28 -1.51 0.37 -1.25 -0.49 0.00 0.00 175.26 172.65 3ifo s PRO 159 N -3.49 2.46 0.22 0.39 0.04 -1.26 -4.96 135.00 128.41 3ifo s PRO 159 Ca 0.79 -1.63 0.11 0.00 0.04 0.00 0.00 61.00 60.31 3ifo s PRO 159 Cb -0.33 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 3ifo s PRO 159 CO 0.39 -0.25 -0.20 0.14 0.04 0.00 0.00 177.00 177.12 3ifo s VAL 160 N -2.53 2.56 0.10 -0.36 -7.23 -1.26 -4.40 120.40 107.29 3ifo s VAL 160 Ca 0.46 -2.10 0.10 0.00 -1.81 0.00 0.00 61.98 58.63 3ifo s VAL 160 Cb -0.02 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3ifo s VAL 160 CO 0.27 -0.22 -0.22 0.42 -0.31 0.00 0.00 175.10 175.03 3ifo s THR 161 N -1.98 2.54 -0.05 5.32 -4.23 -0.33 -4.96 115.64 111.94 3ifo s THR 161 Ca 0.25 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 3ifo s THR 161 Cb -0.07 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.67 3ifo s THR 161 CO 0.13 0.16 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.57 3ifo s VAL 162 N -1.04 0.97 0.25 2.29 1.01 -1.26 -0.95 120.40 121.67 3ifo s VAL 162 Ca 0.15 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3ifo s VAL 162 Cb -0.10 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3ifo s VAL 162 CO 0.07 0.31 0.02 0.42 0.00 0.00 0.00 175.10 175.92 3ifo s THR 163 N 0.59 0.98 -0.07 3.92 -4.23 -0.29 -4.96 115.64 111.59 3ifo s THR 163 Ca -0.12 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 3ifo s THR 163 Cb -0.14 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 3ifo s THR 163 CO 0.02 -0.23 -0.24 0.26 -0.54 0.00 0.00 174.62 173.89 3ifo s TRP 164 N -3.45 2.40 -1.37 3.99 0.52 -1.26 0.33 118.94 120.10 3ifo s TRP 164 Ca 0.31 -0.78 -0.02 0.00 0.02 0.00 0.00 56.10 55.63 3ifo s TRP 164 Cb 0.06 -1.58 -0.00 0.00 -1.15 0.00 0.00 33.47 30.80 3ifo s TRP 164 CO 0.10 -0.26 0.48 0.09 0.02 0.00 0.00 176.95 177.38 3ifo n ASN 165 N 3.11 -0.77 -2.26 2.95 3.02 0.81 -0.89 115.26 121.23 3ifo n ASN 165 Ca -0.18 -0.98 -0.15 0.00 -0.03 0.00 0.00 54.58 53.24 3ifo n ASN 165 Cb 0.52 -3.21 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 3ifo n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ifo n SER 166 N -2.97 -4.33 0.00 6.41 7.64 -1.26 -0.93 113.62 118.18 3ifo n SER 166 Ca -0.30 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.76 3ifo n SER 166 Cb 0.68 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.18 3ifo n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ifo n GLY 167 N -0.76 0.66 0.24 0.23 0.00 -0.06 -4.89 105.19 100.60 3ifo n GLY 167 Ca -0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.01 3ifo n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ifo h SER 168 N 0.00 0.00 -3.61 1.61 4.64 -0.96 -3.38 113.55 111.85 3ifo h SER 168 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 3ifo h SER 168 Cb 0.00 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.71 3ifo h SER 168 CO 0.00 0.00 -0.65 -0.22 -0.87 0.00 0.00 176.83 175.09 3ifo s LEU 169 N -5.58 4.94 -0.02 5.97 2.96 -1.01 -4.92 118.68 121.01 3ifo s LEU 169 Ca 0.01 -2.08 0.01 0.00 -0.22 0.00 0.00 54.13 51.85 3ifo s LEU 169 Cb 0.09 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3ifo s LEU 169 CO 0.45 -0.44 -0.01 -1.54 -1.32 0.00 0.00 176.35 173.49 3ifo n SER 170 N 4.40 4.24 -4.77 3.68 3.41 -1.26 -4.12 113.62 119.20 3ifo n SER 170 Ca 0.01 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.26 3ifo n SER 170 Cb 0.42 0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.62 3ifo n SER 170 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ifo s SER 171 N -3.68 5.98 -0.55 4.04 0.01 -1.26 -3.34 113.70 114.90 3ifo s SER 171 Ca -0.02 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.45 3ifo s SER 171 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3ifo s SER 171 CO 0.06 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.27 3ifo n GLY 172 N 0.25 0.70 3.80 3.44 0.00 -1.26 -4.60 105.19 107.52 3ifo n GLY 172 Ca 0.10 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3ifo n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifo s VAL 173 N -1.92 5.35 -0.14 1.61 1.01 -1.21 -1.01 120.40 124.10 3ifo s VAL 173 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 3ifo s VAL 173 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3ifo s VAL 173 CO 0.00 0.52 -0.08 -1.00 0.00 0.00 0.00 175.10 174.54 3ifo s HIS 174 N -0.39 1.65 -0.20 5.22 3.76 0.57 -5.00 115.29 120.90 3ifo s HIS 174 Ca 0.16 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.12 3ifo s HIS 174 Cb -0.13 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 3ifo s HIS 174 CO 0.05 -0.57 -0.07 0.99 -0.85 0.00 0.00 174.74 174.28 3ifo s THR 175 N 1.65 3.18 0.27 1.30 2.01 -1.26 -0.31 115.64 122.48 3ifo s THR 175 Ca 0.03 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 3ifo s THR 175 Cb -0.14 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 3ifo s THR 175 CO -0.08 0.45 0.57 -0.36 -0.69 0.00 0.00 174.62 174.51 3ifo s PHE 176 N 1.27 3.45 0.60 4.92 0.40 -0.41 -5.01 117.98 123.20 3ifo s PHE 176 Ca 0.03 0.80 -0.20 0.00 -0.60 0.00 0.00 56.93 56.96 3ifo s PHE 176 Cb -0.14 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 3ifo s PHE 176 CO -0.03 0.20 1.31 -2.30 0.70 0.00 0.00 175.22 175.10 3ifo n PRO 177 N -0.53 1.38 -2.46 0.24 -0.02 -1.26 -4.40 135.00 127.93 3ifo n PRO 177 Ca -0.00 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 3ifo n PRO 177 Cb 0.53 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 3ifo n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ifo s ALA 178 N -1.34 3.14 0.07 3.55 0.00 -1.26 -4.80 121.76 121.12 3ifo s ALA 178 Ca 0.77 0.80 0.07 0.00 0.00 0.00 0.00 51.96 53.60 3ifo s ALA 178 Cb -0.40 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3ifo s ALA 178 CO 0.44 -0.30 -0.18 0.14 0.00 0.00 0.00 175.76 175.86 3ifo s VAL 179 N -1.52 1.49 0.16 0.00 -7.23 -0.59 -4.93 120.40 107.77 3ifo s VAL 179 Ca 0.56 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 3ifo s VAL 179 Cb -0.26 -1.35 -0.08 0.00 0.56 0.00 0.00 36.38 35.26 3ifo s VAL 179 CO 0.32 -0.03 1.22 -0.76 -0.31 0.00 0.00 175.10 175.54 3ifo s LEU 180 N -1.61 4.43 -0.16 1.32 1.43 -1.26 -1.56 118.68 121.27 3ifo s LEU 180 Ca 0.04 2.21 -0.04 0.00 -1.03 0.00 0.00 54.13 55.31 3ifo s LEU 180 Cb -0.09 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.58 3ifo s LEU 180 CO 0.03 -0.42 0.07 -1.58 0.23 0.00 0.00 176.35 174.68 3ifo s GLN 181 N 0.09 0.22 -1.44 1.70 0.74 0.18 -4.83 119.66 116.31 3ifo s GLN 181 Ca 0.55 -0.13 -0.05 0.00 0.05 0.00 0.00 55.36 55.78 3ifo s GLN 181 Cb -0.33 -1.78 0.04 0.00 1.10 0.00 0.00 33.01 32.04 3ifo s GLN 181 CO 0.35 -0.63 0.66 0.43 -0.55 0.00 0.00 175.29 175.55 3ifo n SER 182 N 5.22 -1.85 0.00 6.67 7.64 -1.26 -1.93 113.62 128.11 3ifo n SER 182 Ca -0.07 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.90 3ifo n SER 182 Cb 0.49 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 3ifo n SER 182 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ifo n ASP 183 N -2.93 -0.88 -4.44 6.43 9.92 -1.26 -5.00 116.55 118.38 3ifo n ASP 183 Ca -0.19 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.79 3ifo n ASP 183 Cb 0.63 -0.84 -0.12 0.00 -0.64 0.00 0.00 41.12 40.15 3ifo n ASP 183 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ifo s LEU 184 N 0.00 2.52 0.24 0.64 1.43 -0.81 -4.76 118.68 117.94 3ifo s LEU 184 Ca 0.00 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 3ifo s LEU 184 Cb 0.00 -1.32 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 3ifo s LEU 184 CO 0.00 0.15 0.63 -0.31 0.23 0.00 0.00 176.35 177.05 3ifo s TYR 185 N -1.38 3.47 0.00 0.29 2.02 0.02 0.49 117.35 122.26 3ifo s TYR 185 Ca 0.19 1.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.98 3ifo s TYR 185 Cb -0.09 -2.42 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 3ifo s TYR 185 CO 0.09 0.26 -0.03 0.95 -1.57 0.00 0.00 175.55 175.25 3ifo s THR 186 N -1.76 0.24 0.27 -0.71 -4.23 -0.60 -0.78 115.64 108.07 3ifo s THR 186 Ca 0.47 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3ifo s THR 186 Cb -0.12 -0.23 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 3ifo s THR 186 CO 0.19 -0.03 0.30 -1.48 -0.54 0.00 0.00 174.62 173.06 3ifo s LEU 187 N -0.34 1.12 0.10 4.79 0.05 0.85 -1.55 118.68 123.70 3ifo s LEU 187 Ca -0.02 -1.42 0.01 0.00 0.05 0.00 0.00 54.13 52.76 3ifo s LEU 187 Cb -0.03 0.88 -0.04 0.00 -2.05 0.00 0.00 46.19 44.95 3ifo s LEU 187 CO -0.00 -1.04 -0.06 -0.44 -0.55 0.00 0.00 176.35 174.26 3ifo s SER 188 N -3.20 1.09 -0.01 1.48 0.01 -1.26 0.10 113.70 111.90 3ifo s SER 188 Ca 0.35 -1.02 -0.00 0.00 1.31 0.00 0.00 55.95 56.59 3ifo s SER 188 Cb 0.03 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.38 3ifo s SER 188 CO 0.17 -0.48 0.02 -0.55 0.41 0.00 0.00 173.24 172.81 3ifo s SER 189 N -3.04 0.02 0.18 2.44 0.15 -0.53 -1.29 113.70 111.64 3ifo s SER 189 Ca 0.12 0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.91 3ifo s SER 189 Cb 0.06 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 3ifo s SER 189 CO -0.05 -0.07 -0.17 -0.94 1.20 0.00 0.00 173.24 173.22 3ifo s SER 190 N 0.53 3.87 -0.01 5.45 1.04 0.58 -0.84 113.70 124.32 3ifo s SER 190 Ca -0.04 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 3ifo s SER 190 Cb -0.06 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.56 3ifo s SER 190 CO -0.02 0.12 0.02 0.54 0.98 0.00 0.00 173.24 174.89 3ifo s VAL 191 N -1.62 -0.02 -0.15 5.02 0.11 -0.30 -0.32 120.40 123.12 3ifo s VAL 191 Ca 0.22 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 3ifo s VAL 191 Cb -0.09 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 3ifo s VAL 191 CO 0.12 0.03 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.92 3ifo s THR 192 N 0.37 3.12 0.05 5.04 2.01 -0.18 -1.12 115.64 124.93 3ifo s THR 192 Ca -0.03 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 3ifo s THR 192 Cb -0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 3ifo s THR 192 CO -0.01 0.51 -0.03 0.68 -0.69 0.00 0.00 174.62 175.07 3ifo s VAL 193 N 0.56 0.25 0.32 3.82 -7.23 0.17 -4.64 120.40 113.64 3ifo s VAL 193 Ca -0.07 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 3ifo s VAL 193 Cb -0.15 -1.46 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 3ifo s VAL 193 CO 0.03 -0.96 1.21 -2.84 -0.31 0.00 0.00 175.10 172.23 3ifo s PRO 194 N -3.78 4.45 0.47 4.82 0.02 -1.26 0.76 135.00 140.48 3ifo s PRO 194 Ca 0.06 2.02 0.28 0.00 0.02 0.00 0.00 61.00 63.38 3ifo s PRO 194 Cb 0.07 -3.09 1.53 0.00 0.02 0.00 0.00 34.50 33.03 3ifo s PRO 194 CO -0.09 -0.04 1.84 0.77 -0.33 0.00 0.00 177.00 179.16 3ifo h SER 195 N 3.49 0.00 0.00 2.53 0.02 -1.65 -0.12 113.55 117.83 3ifo h SER 195 Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3ifo h SER 195 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3ifo h SER 195 CO 0.66 0.00 -0.05 -1.28 -1.14 0.00 0.00 176.83 175.02 3ifo h SER 196 N 0.00 0.12 0.04 3.07 0.87 -1.90 -2.99 113.55 112.76 3ifo h SER 196 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3ifo h SER 196 Cb 0.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3ifo h SER 196 CO 0.00 0.19 -0.82 0.35 -0.53 0.00 0.00 176.83 176.02 3ifo n THR 197 N -4.41 0.00 -3.83 2.23 -2.24 -0.06 -4.70 114.28 101.28 3ifo n THR 197 Ca -0.01 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3ifo n THR 197 Cb 0.17 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.24 3ifo n THR 197 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3ifo s TRP 198 N -2.87 0.00 -2.30 4.78 -0.00 -1.13 -1.11 118.94 116.33 3ifo s TRP 198 Ca 0.11 0.07 0.25 0.00 -0.00 0.00 0.00 56.10 56.53 3ifo s TRP 198 Cb 0.17 -0.09 1.06 0.00 -0.00 0.00 0.00 33.47 34.61 3ifo s TRP 198 CO 0.78 -0.04 1.73 -0.35 -0.00 0.00 0.00 176.95 179.07 3ifo n PRO 199 N 3.51 1.53 -0.26 5.86 -0.05 -1.26 -4.62 135.00 139.70 3ifo n PRO 199 Ca -0.18 -0.78 0.27 0.00 -0.05 0.00 0.00 63.50 62.76 3ifo n PRO 199 Cb 0.56 -1.43 0.63 0.00 -0.05 0.00 0.00 33.50 33.22 3ifo n PRO 199 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3ifo h SER 200 N 1.73 0.20 -3.98 3.54 4.64 -1.84 -3.39 113.55 114.44 3ifo h SER 200 Ca 0.00 0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.68 3ifo h SER 200 Cb 0.37 -0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.24 3ifo h SER 200 CO 0.00 0.05 -0.86 -1.61 -0.87 0.00 0.00 176.83 173.54 3ifo s GLU 201 N -5.19 1.39 0.26 4.77 0.41 -0.26 -5.09 118.70 114.98 3ifo s GLU 201 Ca -0.07 -1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 52.90 3ifo s GLU 201 Cb 0.23 -1.82 -0.09 0.00 -1.78 0.00 0.00 34.13 30.67 3ifo s GLU 201 CO 0.79 0.43 1.03 0.95 -0.49 0.00 0.00 175.26 177.97 3ifo s THR 202 N -1.05 3.78 -0.15 3.63 -4.23 -1.26 -4.46 115.64 111.89 3ifo s THR 202 Ca 0.13 1.78 0.01 0.00 -1.18 0.00 0.00 61.69 62.42 3ifo s THR 202 Cb -0.10 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.63 3ifo s THR 202 CO 0.05 0.42 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.69 3ifo s VAL 203 N -1.12 1.80 -0.07 2.29 1.01 -1.26 -4.97 120.40 118.07 3ifo s VAL 203 Ca 0.43 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3ifo s VAL 203 Cb -0.29 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3ifo s VAL 203 CO 0.37 0.50 -0.16 -0.89 0.00 0.00 0.00 175.10 174.92 3ifo s THR 204 N 1.21 1.40 -0.14 3.92 2.01 -1.26 -0.61 115.64 122.17 3ifo s THR 204 Ca 0.01 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 3ifo s THR 204 Cb -0.14 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 3ifo s THR 204 CO -0.08 0.41 0.36 0.00 -0.69 0.00 0.00 174.62 174.62 3ifo s ASN 206 N 0.42 5.56 -0.13 0.00 -0.87 0.15 -1.28 114.94 118.78 3ifo s ASN 206 Ca 0.20 -0.58 -0.02 0.00 -1.57 0.00 0.00 52.86 50.89 3ifo s ASN 206 Cb -0.14 -2.00 -0.03 0.00 -0.02 0.00 0.00 41.25 39.07 3ifo s ASN 206 CO 0.06 -0.21 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.63 3ifo s VAL 207 N 1.60 3.68 -0.03 1.60 1.01 0.99 -1.13 120.40 128.11 3ifo s VAL 207 Ca 0.04 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3ifo s VAL 207 Cb -0.17 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3ifo s VAL 207 CO 0.06 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 3ifo s ALA 208 N 0.15 1.66 -0.48 5.51 0.00 -0.13 -0.72 121.76 127.76 3ifo s ALA 208 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3ifo s ALA 208 Cb -0.14 -0.50 0.14 0.00 0.00 0.00 0.00 23.12 22.62 3ifo s ALA 208 CO 0.03 0.34 0.28 -1.58 0.00 0.00 0.00 175.76 174.83 3ifo s HIS 209 N -0.18 2.22 0.25 0.00 2.46 -0.18 -1.19 115.29 118.68 3ifo s HIS 209 Ca 0.00 -2.60 -0.03 0.00 0.47 0.00 0.00 55.06 52.90 3ifo s HIS 209 Cb -0.10 -2.01 0.50 0.00 -0.13 0.00 0.00 32.58 30.84 3ifo s HIS 209 CO 0.01 -0.75 1.74 -1.35 -2.47 0.00 0.00 174.74 171.92 3ifo h PRO 210 N 6.46 0.51 -0.28 2.88 0.11 -1.79 -1.68 132.00 138.21 3ifo h PRO 210 Ca 0.02 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.18 3ifo h PRO 210 Cb 0.90 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3ifo h PRO 210 CO 0.52 0.34 0.22 0.00 -0.21 0.00 0.00 178.00 178.87 3ifo h ALA 211 N 1.55 2.19 -0.49 -0.75 0.00 -1.90 -0.01 119.26 119.86 3ifo h ALA 211 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ifo h ALA 211 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ifo h ALA 211 CO -0.39 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 177.37 3ifo n SER 212 N -4.30 3.40 -2.36 0.00 3.41 -0.69 -4.96 113.62 108.11 3ifo n SER 212 Ca 0.04 -2.06 -0.16 0.00 -0.26 0.00 0.00 58.87 56.42 3ifo n SER 212 Cb 0.38 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 3ifo n SER 212 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ifo n SER 213 N 0.88 -4.78 -4.47 4.04 7.64 -0.02 -4.96 113.62 111.96 3ifo n SER 213 Ca 0.17 0.12 -0.29 0.00 1.01 0.00 0.00 58.87 59.88 3ifo n SER 213 Cb 0.53 -4.04 -0.12 0.00 -1.01 0.00 0.00 64.21 59.58 3ifo n SER 213 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ifo s THR 214 N -2.78 2.72 -0.01 0.44 -4.23 -1.02 -5.00 115.64 105.76 3ifo s THR 214 Ca 0.00 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 3ifo s THR 214 Cb 0.00 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 3ifo s THR 214 CO 0.00 0.10 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.54 3ifo s LYS 215 N -2.11 0.94 -0.03 3.99 1.02 -1.26 -1.01 119.74 121.27 3ifo s LYS 215 Ca 0.17 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.81 3ifo s LYS 215 Cb -0.10 -0.89 0.01 0.00 -0.52 0.00 0.00 37.83 36.32 3ifo s LYS 215 CO 0.09 0.20 -0.10 0.08 -0.92 0.00 0.00 175.35 174.71 3ifo s VAL 216 N -0.13 0.88 -0.32 3.17 1.01 0.10 -5.00 120.40 120.11 3ifo s VAL 216 Ca 0.02 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3ifo s VAL 216 Cb -0.06 -0.79 0.09 0.00 0.00 0.00 0.00 36.38 35.63 3ifo s VAL 216 CO -0.00 0.28 0.01 -1.81 0.00 0.00 0.00 175.10 173.57 3ifo s ASP 217 N 0.29 4.67 -0.35 3.32 1.01 -1.26 -0.01 116.67 124.35 3ifo s ASP 217 Ca -0.05 -1.95 -0.17 0.00 0.71 0.00 0.00 52.55 51.08 3ifo s ASP 217 Cb -0.10 -1.60 -0.01 0.00 1.01 0.00 0.00 42.92 42.22 3ifo s ASP 217 CO 0.01 -0.33 0.48 -0.54 0.21 0.00 0.00 175.17 175.00 3ifo s LYS 218 N 0.96 3.62 0.07 8.23 -0.14 -0.40 -4.91 119.74 127.17 3ifo s LYS 218 Ca 0.06 -0.20 -0.31 0.00 -1.36 0.00 0.00 55.97 54.16 3ifo s LYS 218 Cb -0.19 -3.80 -0.06 0.00 -1.68 0.00 0.00 37.83 32.10 3ifo s LYS 218 CO -0.07 -0.61 1.19 0.21 -0.76 0.00 0.00 175.35 175.31 3ifo s LYS 219 N 2.31 4.44 -0.28 1.68 2.20 -1.26 -1.40 119.74 127.43 3ifo s LYS 219 Ca 0.17 1.77 -0.24 0.00 -0.36 0.00 0.00 55.97 57.31 3ifo s LYS 219 Cb -0.16 -3.34 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3ifo s LYS 219 CO 0.13 -0.23 0.83 0.42 -0.36 0.00 0.00 175.35 176.14 3ifo s ILE 220 N 0.95 4.78 -0.01 5.43 -1.09 0.22 -4.93 121.20 126.55 3ifo s ILE 220 Ca 0.58 1.41 0.07 0.00 -2.23 0.00 0.00 60.65 60.48 3ifo s ILE 220 Cb -0.30 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.41 3ifo s ILE 220 CO 0.30 -0.19 -0.23 0.68 -1.23 0.00 0.00 174.94 174.26 3ifo s VAL 221 N 2.97 1.82 0.97 2.92 -7.23 -1.26 -4.58 120.40 116.02 3ifo s VAL 221 Ca 0.35 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.38 3ifo s VAL 221 Cb -0.14 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.28 3ifo s VAL 221 CO 0.10 0.50 0.10 -2.65 -0.31 0.00 0.00 175.10 172.85 3ifo n PRO 222 N 2.48 -0.31 -1.00 4.82 -0.02 -1.26 -4.82 135.00 134.89 3ifo n PRO 222 Ca -0.16 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3ifo n PRO 222 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3ifo n PRO 222 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02