#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 -0.51 -0.03 -1.58 0.00 -1.26 -4.44 121.76 113.93 3ifo s ALA 2 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3ifo s ALA 2 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3ifo s ALA 2 CO 0.00 -0.37 -0.12 0.99 0.00 0.00 0.00 175.76 176.26 3ifo s THR 3 N -2.44 1.05 0.04 0.00 2.01 -0.05 -4.95 115.64 111.31 3ifo s THR 3 Ca -0.06 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.49 3ifo s THR 3 Cb -0.01 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 3ifo s THR 3 CO -0.03 0.32 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.30 3ifo s LEU 4 N 0.16 2.17 -0.17 4.42 1.02 -1.26 -1.30 118.68 123.72 3ifo s LEU 4 Ca -0.04 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.59 3ifo s LEU 4 Cb -0.10 -0.71 0.08 0.00 0.02 0.00 0.00 46.19 45.48 3ifo s LEU 4 CO 0.01 0.07 0.24 -0.75 0.02 0.00 0.00 176.35 175.94 3ifo s LYS 5 N -1.17 0.17 0.37 1.70 2.20 -0.48 -3.90 119.74 118.63 3ifo s LYS 5 Ca 0.03 0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.89 3ifo s LYS 5 Cb -0.08 -0.75 -0.09 0.00 -1.51 0.00 0.00 37.83 35.40 3ifo s LYS 5 CO 0.01 -0.52 0.81 -1.21 -0.36 0.00 0.00 175.35 174.08 3ifo s GLU 6 N 2.36 4.05 0.03 4.03 8.01 -1.26 -1.39 118.70 134.52 3ifo s GLU 6 Ca 0.05 0.80 -0.02 0.00 0.01 0.00 0.00 54.97 55.81 3ifo s GLU 6 Cb -0.14 -2.34 -0.02 0.00 -4.31 0.00 0.00 34.13 27.31 3ifo s GLU 6 CO -0.11 0.07 0.01 -1.54 0.01 0.00 0.00 175.26 173.70 3ifo s SER 7 N -2.34 0.25 0.18 -0.19 1.04 0.80 -4.75 113.70 108.69 3ifo s SER 7 Ca 0.56 -0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 3ifo s SER 7 Cb -0.10 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3ifo s SER 7 CO 0.18 -0.38 0.34 0.61 0.98 0.00 0.00 173.24 174.97 3ifo n GLY 8 N 1.24 1.67 0.25 7.32 0.00 -1.26 -1.24 105.19 113.16 3ifo n GLY 8 Ca -0.22 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.90 -3.48 132.00 128.34 3ifo h PRO 9 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3ifo h PRO 9 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3ifo h PRO 9 CO 0.19 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 3ifo n GLY 10 N 0.34 2.02 3.09 -0.55 0.00 -1.26 -4.84 105.19 104.00 3ifo n GLY 10 Ca 0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 1.04 0.24 -0.61 1.01 -1.26 -0.84 121.20 120.79 3ifo s ILE 11 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3ifo s ILE 11 Cb 0.00 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 3ifo s ILE 11 CO 0.00 0.30 0.50 -1.48 0.00 0.00 0.00 174.94 174.25 3ifo s LEU 12 N -0.29 0.28 0.30 2.97 0.05 -0.51 -4.96 118.68 116.51 3ifo s LEU 12 Ca 0.05 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.35 3ifo s LEU 12 Cb -0.05 1.85 -0.04 0.00 -2.05 0.00 0.00 46.19 45.90 3ifo s LEU 12 CO -0.00 -1.15 0.50 -1.10 -0.55 0.00 0.00 176.35 174.05 3ifo s GLN 13 N -4.00 3.50 0.51 1.48 -0.21 -1.24 -0.84 119.66 118.86 3ifo s GLN 13 Ca 0.21 -0.35 -0.22 0.00 0.02 0.00 0.00 55.36 55.02 3ifo s GLN 13 Cb -0.01 -2.71 -0.06 0.00 1.00 0.00 0.00 33.01 31.22 3ifo s GLN 13 CO 0.08 0.23 1.22 -1.54 -2.12 0.00 0.00 175.29 173.16 3ifo s SER 14 N -3.79 5.76 0.00 5.90 1.04 -1.26 -2.21 113.70 119.13 3ifo s SER 14 Ca 0.39 2.44 0.00 0.00 0.48 0.00 0.00 55.95 59.27 3ifo s SER 14 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3ifo s SER 14 CO 0.33 -1.21 0.00 -1.54 0.98 0.00 0.00 173.24 171.80 3ifo n SER 15 N -0.83 0.00 -4.91 7.02 3.41 0.21 -4.91 113.62 113.61 3ifo n SER 15 Ca 0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.42 3ifo n SER 15 Cb 0.47 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.22 2.10 -0.23 4.33 -0.21 -0.94 -3.92 119.66 120.57 3ifo s GLN 16 Ca 0.00 0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.28 3ifo s GLN 16 Cb 0.00 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.94 3ifo s GLN 16 CO 0.00 -1.45 0.24 0.99 -2.12 0.00 0.00 175.29 172.95 3ifo s THR 17 N -3.46 5.30 -0.18 -0.19 2.01 -1.26 -1.23 115.64 116.63 3ifo s THR 17 Ca 0.61 0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.76 3ifo s THR 17 Cb -0.11 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3ifo s THR 17 CO 0.48 0.31 0.59 -0.22 -0.69 0.00 0.00 174.62 175.09 3ifo s LEU 18 N 1.20 4.17 -0.28 4.42 2.96 0.78 -4.93 118.68 127.00 3ifo s LEU 18 Ca 0.11 0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 54.82 3ifo s LEU 18 Cb -0.14 -2.84 0.04 0.00 0.50 0.00 0.00 46.19 43.75 3ifo s LEU 18 CO 0.06 -0.21 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.41 3ifo s SER 19 N 1.11 4.65 0.02 3.68 0.01 -1.26 -0.32 113.70 121.60 3ifo s SER 19 Ca 0.28 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.49 3ifo s SER 19 Cb -0.16 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3ifo s SER 19 CO 0.11 -0.20 0.04 -0.76 0.41 0.00 0.00 173.24 172.84 3ifo s LEU 20 N 1.30 3.69 0.05 2.44 1.43 0.67 -4.47 118.68 123.79 3ifo s LEU 20 Ca -0.02 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 3ifo s LEU 20 Cb -0.18 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3ifo s LEU 20 CO -0.02 0.25 -0.18 -0.89 0.23 0.00 0.00 176.35 175.74 3ifo s THR 21 N -1.20 1.41 -0.11 5.49 2.01 -0.38 -1.61 115.64 121.25 3ifo s THR 21 Ca 0.23 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3ifo s THR 21 Cb -0.12 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.16 3ifo s THR 21 CO 0.14 0.07 -0.10 0.00 -0.69 0.00 0.00 174.62 174.05 3ifo s SER 23 N 1.48 6.22 0.18 0.00 0.01 -0.49 -0.44 113.70 120.67 3ifo s SER 23 Ca 0.02 0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.61 3ifo s SER 23 Cb -0.13 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3ifo s SER 23 CO -0.07 0.16 -0.20 0.72 0.41 0.00 0.00 173.24 174.27 3ifo s PHE 24 N 0.43 1.97 0.09 2.43 -0.71 -0.85 -1.39 117.98 119.94 3ifo s PHE 24 Ca 0.09 -0.43 -0.12 0.00 -1.04 0.00 0.00 56.93 55.42 3ifo s PHE 24 Cb -0.11 -0.97 0.02 0.00 -1.21 0.00 0.00 43.02 40.74 3ifo s PHE 24 CO -0.01 0.39 0.28 -1.54 -1.34 0.00 0.00 175.22 173.00 3ifo s SER 25 N -2.68 -0.05 0.00 1.98 1.04 -0.42 -4.87 113.70 108.70 3ifo s SER 25 Ca 0.17 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3ifo s SER 25 Cb -0.06 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3ifo s SER 25 CO 0.08 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3ifo n GLY 26 N 0.07 0.70 3.78 7.32 0.00 -1.26 -0.87 105.19 114.93 3ifo n GLY 26 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 -0.11 -0.19 1.61 -0.71 -1.26 -4.61 117.98 110.31 3ifo s PHE 27 Ca 0.00 -0.31 -0.03 0.00 -1.04 0.00 0.00 56.93 55.54 3ifo s PHE 27 Cb 0.00 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.40 3ifo s PHE 27 CO 0.00 -1.17 -0.05 -1.12 -1.34 0.00 0.00 175.22 171.54 3ifo s SER 28 N -2.93 4.41 0.58 1.98 0.01 -1.26 -4.98 113.70 111.52 3ifo s SER 28 Ca 0.12 -0.32 0.36 0.00 1.31 0.00 0.00 55.95 57.43 3ifo s SER 28 Cb -0.05 -1.74 1.70 0.00 0.21 0.00 0.00 66.02 66.15 3ifo s SER 28 CO 0.06 0.05 2.12 0.25 0.41 0.00 0.00 173.24 176.12 3ifo h LEU 29 N 7.61 0.00 -0.04 2.44 5.85 -1.95 -2.31 115.31 126.91 3ifo h LEU 29 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ifo h LEU 29 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3ifo h LEU 29 CO 0.60 0.03 -0.10 -1.54 -0.34 0.00 0.00 178.44 177.09 3ifo n SER 30 N -3.19 0.15 -4.74 1.25 3.41 -1.26 -4.16 113.62 105.09 3ifo n SER 30 Ca -0.01 0.09 -0.41 0.00 -0.26 0.00 0.00 58.87 58.28 3ifo n SER 30 Cb 0.23 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 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 -2.84 3.18 -0.03 6.66 2.01 -0.87 -4.90 115.64 118.85 3ifo s THR 31 Ca 0.19 0.98 -0.38 0.00 0.31 0.00 0.00 61.69 62.78 3ifo s THR 31 Cb 0.19 -3.62 -0.17 0.00 0.01 0.00 0.00 72.50 68.91 3ifo s THR 31 CO 0.53 0.15 1.44 -0.24 -0.69 0.00 0.00 174.62 175.82 3ifo n SER 32 N 2.55 1.76 0.00 3.53 2.88 -1.26 -1.37 113.62 121.71 3ifo n SER 32 Ca 0.06 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3ifo n SER 32 Cb 0.43 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 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 2.96 3.31 3.79 0.46 0.00 -1.26 -4.58 105.19 109.86 3ifo n GLY 33 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3ifo n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ifo s MET 34 N -0.65 3.85 0.12 1.61 1.00 -0.47 -0.13 119.30 124.63 3ifo s MET 34 Ca 0.00 1.40 -0.26 0.00 0.00 0.00 0.00 55.69 56.83 3ifo s MET 34 Cb 0.00 -2.17 0.07 0.00 0.00 0.00 0.00 34.83 32.73 3ifo s MET 34 CO 0.00 -0.40 0.97 0.20 0.00 0.00 0.00 175.02 175.80 3ifo s GLY 35 N -1.89 -0.28 -0.02 -0.03 0.00 -1.25 -0.35 107.32 103.49 3ifo s GLY 35 Ca 0.66 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.69 3ifo s GLY 35 CO 0.22 0.06 -0.03 0.14 0.00 0.00 0.00 173.10 173.48 3ifo s VAL 36 N -3.20 0.34 0.21 1.40 1.01 -0.32 -1.46 120.40 118.39 3ifo s VAL 36 Ca 0.11 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3ifo s VAL 36 Cb -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3ifo s VAL 36 CO 0.00 0.14 0.06 -0.44 0.00 0.00 0.00 175.10 174.85 3ifo s SER 37 N 0.39 4.96 -0.12 3.32 0.01 0.19 -0.99 113.70 121.46 3ifo s SER 37 Ca -0.04 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 3ifo s SER 37 Cb -0.07 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 3ifo s SER 37 CO -0.01 0.04 -0.07 0.26 0.41 0.00 0.00 173.24 173.87 3ifo s TRP 38 N -1.97 2.94 0.09 2.43 0.52 -0.42 -0.53 118.94 122.01 3ifo s TRP 38 Ca 0.30 -0.25 0.07 0.00 0.02 0.00 0.00 56.10 56.24 3ifo s TRP 38 Cb -0.08 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 3ifo s TRP 38 CO 0.21 0.06 -0.19 0.42 0.02 0.00 0.00 176.95 177.47 3ifo s ILE 39 N -0.08 1.54 0.11 2.03 -1.09 0.30 -0.96 121.20 123.06 3ifo s ILE 39 Ca 0.00 -1.48 0.03 0.00 -2.23 0.00 0.00 60.65 56.98 3ifo s ILE 39 Cb -0.13 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 3ifo s ILE 39 CO 0.03 -0.11 -0.09 0.00 -1.23 0.00 0.00 174.94 173.54 3ifo s ARG 40 N -1.86 0.91 -0.46 2.79 1.70 0.04 -0.11 118.95 121.96 3ifo s ARG 40 Ca 0.04 -1.29 0.04 0.00 -0.47 0.00 0.00 55.73 54.05 3ifo s ARG 40 Cb -0.10 -0.48 0.12 0.00 -0.57 0.00 0.00 34.95 33.92 3ifo s ARG 40 CO 0.04 0.05 0.19 -1.14 -1.08 0.00 0.00 175.30 173.36 3ifo s GLN 41 N -3.34 1.76 0.18 3.89 0.74 0.23 -0.86 119.66 122.26 3ifo s GLN 41 Ca 0.10 -2.33 -0.32 0.00 0.05 0.00 0.00 55.36 52.87 3ifo s GLN 41 Cb 0.01 -3.20 -0.10 0.00 1.10 0.00 0.00 33.01 30.82 3ifo s GLN 41 CO -0.01 -1.06 1.58 -2.14 -0.55 0.00 0.00 175.29 173.11 3ifo s PRO 42 N 0.15 4.21 2.55 1.67 0.02 -1.25 -2.40 135.00 139.94 3ifo s PRO 42 Ca 0.15 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3ifo s PRO 42 Cb -0.24 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3ifo s PRO 42 CO -0.03 -0.61 0.00 0.43 -0.33 0.00 0.00 177.00 176.46 3ifo n SER 43 N 3.86 -0.15 -0.44 2.53 7.64 -1.09 -1.61 113.62 124.36 3ifo n SER 43 Ca 0.14 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.06 3ifo n SER 43 Cb 0.38 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 0.12 2.92 0.23 0.00 -1.26 -4.57 105.19 102.63 3ifo n GLY 44 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.68 0.06 0.00 1.61 1.02 -0.64 -5.10 119.74 115.02 3ifo s LYS 45 Ca 0.16 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.25 3ifo s LYS 45 Cb 0.08 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 3ifo s LYS 45 CO 0.11 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 3ifo n GLY 46 N 3.15 -1.41 2.90 -3.33 0.00 -1.26 -3.94 105.19 101.29 3ifo n GLY 46 Ca -0.13 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.98 2.02 -0.04 0.99 1.43 -1.26 -4.32 118.68 113.51 3ifo s LEU 47 Ca 0.00 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3ifo s LEU 47 Cb 0.00 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.18 3ifo s LEU 47 CO 0.00 -0.00 -0.03 -0.70 0.23 0.00 0.00 176.35 175.85 3ifo s GLU 48 N -0.12 0.69 0.10 1.70 2.12 -0.04 -4.98 118.70 118.18 3ifo s GLU 48 Ca -0.00 -0.04 -0.27 0.00 0.36 0.00 0.00 54.97 55.02 3ifo s GLU 48 Cb -0.01 -0.78 -0.06 0.00 0.26 0.00 0.00 34.13 33.53 3ifo s GLU 48 CO -0.00 -0.12 0.83 -0.46 -0.54 0.00 0.00 175.26 174.97 3ifo s TRP 49 N 1.06 3.81 -0.14 5.30 -0.00 -1.26 -0.78 118.94 126.93 3ifo s TRP 49 Ca -0.09 1.62 -0.07 0.00 -0.00 0.00 0.00 56.10 57.56 3ifo s TRP 49 Cb -0.14 -2.88 -0.06 0.00 -0.00 0.00 0.00 33.47 30.39 3ifo s TRP 49 CO -0.01 0.33 -0.18 1.28 -0.00 0.00 0.00 176.95 178.36 3ifo n LEU 50 N 2.43 1.01 -3.56 5.86 4.77 -0.13 -4.67 117.00 122.71 3ifo n LEU 50 Ca -0.02 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 56.06 3ifo n LEU 50 Cb 0.49 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3ifo n LEU 50 CO 0.48 0.30 0.72 0.00 -1.33 0.00 0.00 177.39 177.56 3ifo s ALA 51 N -2.26 -1.81 -0.03 -1.18 0.00 -1.22 -0.47 121.76 114.78 3ifo s ALA 51 Ca -0.20 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 3ifo s ALA 51 Cb 0.08 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.64 3ifo s ALA 51 CO 0.25 -0.76 0.11 -1.58 0.00 0.00 0.00 175.76 173.77 3ifo s HIS 52 N -3.10 -0.08 -0.06 0.00 2.46 0.91 -1.30 115.29 114.13 3ifo s HIS 52 Ca 0.07 0.20 0.04 0.00 0.47 0.00 0.00 55.06 55.84 3ifo s HIS 52 Cb -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 3ifo s HIS 52 CO -0.06 -0.09 -0.18 -1.50 -2.47 0.00 0.00 174.74 170.44 3ifo s ILE 53 N -0.18 1.51 0.45 0.89 2.07 -0.16 -1.03 121.20 124.75 3ifo s ILE 53 Ca -0.02 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 3ifo s ILE 53 Cb -0.02 -1.31 0.00 0.00 0.13 0.00 0.00 42.46 41.26 3ifo s ILE 53 CO 0.00 0.43 0.66 -0.31 -1.91 0.00 0.00 174.94 173.81 3ifo s TYR 54 N 0.23 3.15 0.56 3.50 1.51 0.07 -1.17 117.35 125.21 3ifo s TYR 54 Ca -0.09 0.13 0.26 0.00 -1.01 0.00 0.00 57.07 56.36 3ifo s TYR 54 Cb -0.14 -2.33 1.55 0.00 -0.11 0.00 0.00 41.96 40.93 3ifo s TYR 54 CO 0.04 -0.38 2.10 0.11 -1.11 0.00 0.00 175.55 176.30 3ifo h TRP 55 N 0.42 0.00 -0.57 2.71 0.09 -0.86 -1.29 115.95 116.45 3ifo h TRP 55 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.52 3ifo h TRP 55 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.50 3ifo h TRP 55 CO 0.44 0.00 0.00 -0.40 0.09 0.00 0.00 178.44 178.57 3ifo n ASP 56 N -4.05 5.69 0.00 0.11 5.68 -1.26 -4.71 116.55 118.01 3ifo n ASP 56 Ca 0.02 -2.92 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 3ifo n ASP 56 Cb 0.33 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 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 0.61 -0.88 -4.76 -1.12 2.03 -0.49 -5.00 116.55 106.94 3ifo n ASP 57 Ca 0.28 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.19 3ifo n ASP 57 Cb 1.19 -0.91 0.02 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.54 5.86 -0.01 1.67 2.15 -1.26 -4.81 116.67 117.73 3ifo s ASP 58 Ca 0.00 2.78 0.01 0.00 0.43 0.00 0.00 52.55 55.77 3ifo s ASP 58 Cb 0.00 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 3ifo s ASP 58 CO 0.00 -1.17 -0.02 -0.54 -0.17 0.00 0.00 175.17 173.27 3ifo s LYS 59 N -2.52 0.22 0.00 4.34 1.02 -1.26 -0.75 119.74 120.79 3ifo s LYS 59 Ca 0.63 -0.03 0.04 0.00 0.02 0.00 0.00 55.97 56.62 3ifo s LYS 59 Cb -0.41 -0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 3ifo s LYS 59 CO 0.51 -0.01 -0.12 1.03 -0.92 0.00 0.00 175.35 175.84 3ifo s ARG 60 N 0.29 0.92 0.10 1.68 1.81 -0.20 -4.98 118.95 118.57 3ifo s ARG 60 Ca -0.03 -0.51 0.06 0.00 -1.72 0.00 0.00 55.73 53.54 3ifo s ARG 60 Cb -0.05 -0.89 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 3ifo s ARG 60 CO -0.01 0.24 -0.16 0.71 -0.68 0.00 0.00 175.30 175.40 3ifo s TYR 61 N -0.45 1.42 -0.10 -0.53 2.02 -1.26 -0.06 117.35 118.39 3ifo s TYR 61 Ca 0.03 -0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 55.95 3ifo s TYR 61 Cb -0.05 -0.77 -0.06 0.00 -0.40 0.00 0.00 41.96 40.68 3ifo s TYR 61 CO 0.00 0.13 1.87 1.21 -1.57 0.00 0.00 175.55 177.19 3ifo s ASN 62 N -2.10 6.26 0.48 2.29 3.84 0.38 -4.85 114.94 121.24 3ifo s ASN 62 Ca 0.05 2.16 0.15 0.00 0.21 0.00 0.00 52.86 55.42 3ifo s ASN 62 Cb -0.08 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.24 3ifo s ASN 62 CO 0.03 -1.27 2.08 -0.65 -2.79 0.00 0.00 177.10 174.50 3ifo h PRO 63 N 11.37 0.20 0.00 0.43 0.11 -1.96 0.20 132.00 142.35 3ifo h PRO 63 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ifo h PRO 63 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ifo h PRO 63 CO 0.96 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.76 3ifo n SER 64 N -4.49 0.50 -0.24 -2.05 3.41 -1.26 -2.86 113.62 106.63 3ifo n SER 64 Ca 0.02 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.25 3ifo n SER 64 Cb 0.20 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.46 3ifo n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ifo n LEU 65 N -2.02 1.43 -0.34 1.04 4.77 0.60 -4.76 117.00 117.72 3ifo n LEU 65 Ca 0.04 -0.95 0.21 0.00 -0.03 0.00 0.00 56.01 55.28 3ifo n LEU 65 Cb 0.29 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.84 3ifo n LEU 65 CO 0.23 0.29 1.19 0.50 -1.33 0.00 0.00 177.39 178.28 3ifo h LYS 66 N 1.18 0.46 0.00 3.23 3.64 -1.10 0.13 116.57 124.11 3ifo h LYS 66 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ifo h LYS 66 Cb 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ifo h LYS 66 CO 0.00 0.31 0.00 -1.13 -2.27 0.00 0.00 179.45 176.36 3ifo n SER 67 N -4.74 0.41 -0.00 4.20 3.41 -1.26 -3.28 113.62 112.36 3ifo n SER 67 Ca 0.26 0.56 0.03 0.00 -0.26 0.00 0.00 58.87 59.47 3ifo n SER 67 Cb 0.83 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 3ifo n SER 67 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ifo n ARG 68 N -1.91 3.52 -4.34 4.33 1.74 0.38 -4.94 116.66 115.44 3ifo n ARG 68 Ca 0.05 -0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.76 3ifo n ARG 68 Cb 0.31 -0.92 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.64 3.56 -0.06 0.55 1.43 -0.83 -0.93 118.68 119.76 3ifo s LEU 69 Ca 0.01 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3ifo s LEU 69 Cb 0.05 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3ifo s LEU 69 CO 0.29 0.33 -0.03 -0.89 0.23 0.00 0.00 176.35 176.28 3ifo s THR 70 N -0.62 0.52 0.01 5.49 2.01 -0.35 -4.89 115.64 117.81 3ifo s THR 70 Ca 0.10 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3ifo s THR 70 Cb -0.12 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3ifo s THR 70 CO 0.02 0.26 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.68 3ifo s ILE 71 N 1.44 3.99 0.29 1.82 2.07 -1.26 -0.74 121.20 128.82 3ifo s ILE 71 Ca -0.03 -0.68 -0.13 0.00 -1.41 0.00 0.00 60.65 58.40 3ifo s ILE 71 Cb -0.13 -2.78 0.01 0.00 0.13 0.00 0.00 42.46 39.69 3ifo s ILE 71 CO -0.03 0.37 0.57 -0.94 -1.91 0.00 0.00 174.94 173.00 3ifo s SER 72 N -1.56 0.06 0.04 4.50 1.04 -0.78 -5.01 113.70 111.99 3ifo s SER 72 Ca 0.19 -1.00 -0.05 0.00 0.48 0.00 0.00 55.95 55.57 3ifo s SER 72 Cb -0.11 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3ifo s SER 72 CO 0.10 -1.30 0.08 -1.59 0.98 0.00 0.00 173.24 171.51 3ifo s LYS 73 N -3.56 0.59 -0.38 4.02 -2.85 -1.26 -0.69 119.74 115.60 3ifo s LYS 73 Ca 0.20 -0.79 0.01 0.00 -1.00 0.00 0.00 55.97 54.40 3ifo s LYS 73 Cb -0.02 0.23 0.13 0.00 -2.06 0.00 0.00 37.83 36.11 3ifo s LYS 73 CO 0.11 -0.14 0.21 0.34 0.10 0.00 0.00 175.35 175.97 3ifo s ASP 74 N -2.17 3.34 0.51 0.03 -1.08 -0.17 -4.99 116.67 112.13 3ifo s ASP 74 Ca -0.04 -2.30 0.21 0.00 -0.52 0.00 0.00 52.55 49.90 3ifo s ASP 74 Cb -0.01 -0.69 1.32 0.00 -1.46 0.00 0.00 42.92 42.08 3ifo s ASP 74 CO -0.05 -0.30 2.09 0.71 0.52 0.00 0.00 175.17 178.14 3ifo h THR 75 N 5.26 0.86 0.00 1.71 1.35 -1.96 -0.21 112.91 119.92 3ifo h THR 75 Ca 0.01 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3ifo h THR 75 Cb 0.96 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ifo h THR 75 CO 0.37 0.10 -0.08 0.77 -0.25 0.00 0.00 175.52 176.43 3ifo h SER 76 N 0.00 0.00 -0.46 5.36 4.64 -1.94 -1.01 113.55 120.13 3ifo h SER 76 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ifo h SER 76 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3ifo h SER 76 CO 0.01 0.08 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 3ifo n ARG 77 N -3.49 2.79 -4.00 4.77 1.74 -0.15 -4.98 116.66 113.34 3ifo n ARG 77 Ca -0.02 -2.23 -0.27 0.00 -0.77 0.00 0.00 57.85 54.56 3ifo n ARG 77 Cb 0.21 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.88 -3.12 -4.24 5.56 4.76 -0.38 -4.91 118.16 116.72 3ifo n LYS 78 Ca 0.16 0.38 -0.17 0.00 -2.87 0.00 0.00 58.31 55.80 3ifo n LYS 78 Cb 0.49 -4.50 -0.13 0.00 -1.84 0.00 0.00 35.03 29.04 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 -6.65 0.73 0.10 1.97 -0.21 -1.02 -2.01 119.66 112.57 3ifo s GLN 79 Ca 0.06 -0.65 0.10 0.00 0.02 0.00 0.00 55.36 54.89 3ifo s GLN 79 Cb -0.03 -0.66 -0.04 0.00 1.00 0.00 0.00 33.01 33.27 3ifo s GLN 79 CO 0.90 0.16 -0.23 0.08 -2.12 0.00 0.00 175.29 174.08 3ifo s VAL 80 N -0.85 2.46 0.07 1.09 1.01 0.42 -1.00 120.40 123.60 3ifo s VAL 80 Ca -0.01 -1.57 0.07 0.00 0.00 0.00 0.00 61.98 60.47 3ifo s VAL 80 Cb -0.07 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3ifo s VAL 80 CO 0.01 0.16 -0.19 -0.36 0.00 0.00 0.00 175.10 174.71 3ifo s PHE 81 N -1.03 1.67 -0.05 5.22 0.08 0.13 0.00 117.98 124.00 3ifo s PHE 81 Ca 0.15 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.81 3ifo s PHE 81 Cb -0.10 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 3ifo s PHE 81 CO 0.06 0.14 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.07 3ifo s LEU 82 N -1.59 1.49 -0.09 -0.37 2.96 -0.63 -1.87 118.68 118.58 3ifo s LEU 82 Ca 0.05 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3ifo s LEU 82 Cb -0.09 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 3ifo s LEU 82 CO 0.03 -0.01 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.12 3ifo s LYS 83 N 0.76 2.94 -0.21 1.98 2.20 0.09 -0.23 119.74 127.26 3ifo s LYS 83 Ca -0.12 -0.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.72 3ifo s LYS 83 Cb -0.15 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.81 3ifo s LYS 83 CO 0.02 0.33 -0.09 0.42 -0.36 0.00 0.00 175.35 175.67 3ifo s ILE 84 N -0.00 1.60 0.48 5.43 1.01 0.57 -1.21 121.20 129.07 3ifo s ILE 84 Ca -0.06 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 3ifo s ILE 84 Cb -0.15 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 3ifo s ILE 84 CO 0.05 0.11 0.89 0.42 0.00 0.00 0.00 174.94 176.40 3ifo s THR 85 N 1.40 4.69 -1.21 2.92 -4.23 -0.11 -0.15 115.64 118.95 3ifo s THR 85 Ca -0.02 0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 61.21 3ifo s THR 85 Cb -0.17 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 3ifo s THR 85 CO -0.08 -0.70 0.72 -0.24 -0.54 0.00 0.00 174.62 173.78 3ifo n SER 86 N -1.69 -3.83 -4.77 3.99 2.88 -1.05 -4.90 113.62 104.25 3ifo n SER 86 Ca 0.04 -0.97 -0.33 0.00 -1.33 0.00 0.00 58.87 56.29 3ifo n SER 86 Cb 0.54 -3.51 0.05 0.00 -0.75 0.00 0.00 64.21 60.54 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 -3.59 3.32 0.21 2.46 -7.23 -0.36 -4.50 120.40 110.72 3ifo s VAL 87 Ca 0.32 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 3ifo s VAL 87 Cb -0.11 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 3ifo s VAL 87 CO 0.85 -0.42 0.10 1.51 -0.31 0.00 0.00 175.10 176.83 3ifo s ASP 88 N -2.78 0.71 0.61 4.85 1.47 -1.26 0.66 116.67 120.92 3ifo s ASP 88 Ca 0.65 -1.35 0.28 0.00 1.18 0.00 0.00 52.55 53.31 3ifo s ASP 88 Cb -0.19 0.25 1.35 0.00 -0.34 0.00 0.00 42.92 43.99 3ifo s ASP 88 CO 0.44 -0.76 1.77 -0.65 0.68 0.00 0.00 175.17 176.65 3ifo h PRO 89 N 2.56 0.00 0.00 2.11 0.11 -1.98 0.37 132.00 135.17 3ifo h PRO 89 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ifo h PRO 89 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ifo h PRO 89 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3ifo n ALA 90 N -2.23 1.93 1.11 -0.75 0.00 -1.26 -1.68 120.51 117.64 3ifo n ALA 90 Ca 0.09 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3ifo n ALA 90 Cb 0.79 -1.27 0.17 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.25 1.72 -4.68 0.00 8.00 0.13 -4.86 116.55 115.61 3ifo n ASP 91 Ca 0.08 -1.33 -0.42 0.00 0.71 0.00 0.00 54.79 53.83 3ifo n ASP 91 Cb 0.12 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.42 2.86 -0.05 -3.53 2.01 -0.68 -4.86 115.64 108.96 3ifo s THR 92 Ca 0.22 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 3ifo s THR 92 Cb 0.19 -3.08 0.13 0.00 0.01 0.00 0.00 72.50 69.74 3ifo s THR 92 CO 0.52 -0.01 1.29 0.00 -0.69 0.00 0.00 174.62 175.73 3ifo s ALA 93 N 3.53 -2.23 -0.11 7.40 0.00 -0.56 -2.66 121.76 127.12 3ifo s ALA 93 Ca 0.83 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 3ifo s ALA 93 Cb -0.43 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3ifo s ALA 93 CO 0.38 -0.98 0.50 0.99 0.00 0.00 0.00 175.76 176.64 3ifo s THR 94 N -2.39 5.17 -0.14 0.00 2.01 -1.01 -0.32 115.64 118.96 3ifo s THR 94 Ca 0.13 0.99 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 3ifo s THR 94 Cb 0.04 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3ifo s THR 94 CO -0.04 0.33 0.03 -0.31 -0.69 0.00 0.00 174.62 173.93 3ifo s TYR 95 N 0.60 3.20 -0.05 4.92 1.51 0.17 -0.60 117.35 127.10 3ifo s TYR 95 Ca 0.27 0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.46 3ifo s TYR 95 Cb -0.15 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3ifo s TYR 95 CO 0.11 0.25 -0.24 0.71 -1.11 0.00 0.00 175.55 175.27 3ifo s TYR 96 N -0.11 2.44 -0.11 2.71 2.02 0.85 -0.69 117.35 124.45 3ifo s TYR 96 Ca 0.05 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 56.03 3ifo s TYR 96 Cb -0.12 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3ifo s TYR 96 CO 0.02 -0.18 0.13 0.00 -1.57 0.00 0.00 175.55 173.95 3ifo s VAL 98 N -1.03 0.09 0.07 0.00 -7.23 0.31 -1.02 120.40 111.60 3ifo s VAL 98 Ca 0.15 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 3ifo s VAL 98 Cb -0.12 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.66 3ifo s VAL 98 CO 0.04 -0.03 1.12 -0.60 -0.31 0.00 0.00 175.10 175.33 3ifo s ARG 99 N -0.18 4.50 -0.36 4.82 3.52 0.53 -0.64 118.95 131.14 3ifo s ARG 99 Ca -0.01 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 3ifo s ARG 99 Cb -0.01 -3.36 0.14 0.00 -1.56 0.00 0.00 34.95 30.15 3ifo s ARG 99 CO -0.00 -0.14 0.21 0.50 -0.81 0.00 0.00 175.30 175.06 3ifo s ARG 100 N 0.77 0.62 0.65 5.12 3.52 -0.53 -2.18 118.95 126.93 3ifo s ARG 100 Ca 0.55 -1.36 -0.13 0.00 -0.13 0.00 0.00 55.73 54.66 3ifo s ARG 100 Cb -0.27 -1.44 -0.01 0.00 -1.56 0.00 0.00 34.95 31.67 3ifo s ARG 100 CO 0.30 -1.19 1.07 -2.14 -0.81 0.00 0.00 175.30 172.53 3ifo s PRO 101 N 1.05 3.04 0.47 5.12 0.02 -1.25 -3.97 135.00 139.48 3ifo s PRO 101 Ca 0.17 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.35 3ifo s PRO 101 Cb -0.23 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 3ifo s PRO 101 CO -0.02 -1.03 0.07 0.96 -0.33 0.00 0.00 177.00 176.65 3ifo s ILE 102 N -2.68 0.81 0.32 2.83 -4.36 0.82 -3.70 121.20 115.25 3ifo s ILE 102 Ca 0.62 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.73 3ifo s ILE 102 Cb -0.16 -2.20 -0.13 0.00 1.25 0.00 0.00 42.46 41.23 3ifo s ILE 102 CO 0.45 0.00 1.10 0.41 0.24 0.00 0.00 174.94 177.15 3ifo n THR 103 N -1.12 2.05 0.42 8.37 -1.04 -1.26 -1.23 114.28 120.47 3ifo n THR 103 Ca -0.13 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 61.48 3ifo n THR 103 Cb 0.66 -1.22 0.43 0.00 -1.82 0.00 0.00 70.33 68.38 3ifo n THR 103 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ifo n PRO 104 N 0.59 0.13 -2.11 -2.82 -0.02 -1.26 -4.44 135.00 125.06 3ifo n PRO 104 Ca 0.08 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 3ifo n PRO 104 Cb 0.34 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 3ifo n PRO 104 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ifo s VAL 105 N -3.22 2.86 0.21 -1.45 1.01 -0.37 -4.92 120.40 114.53 3ifo s VAL 105 Ca 0.05 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3ifo s VAL 105 Cb 0.09 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 3ifo s VAL 105 CO 0.34 0.13 1.50 -0.07 0.00 0.00 0.00 175.10 177.01 3ifo h LEU 106 N 4.72 0.36 -8.09 3.92 3.38 -1.96 -3.39 115.31 114.25 3ifo h LEU 106 Ca -0.46 -0.22 -0.73 0.00 0.09 0.00 0.00 57.88 56.56 3ifo h LEU 106 Cb 1.22 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.65 3ifo h LEU 106 CO 0.74 0.91 0.07 -0.69 0.09 0.00 0.00 178.44 179.57 3ifo s VAL 107 N -3.69 5.03 -0.74 1.22 1.01 -1.26 -4.98 120.40 116.99 3ifo s VAL 107 Ca -0.05 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 3ifo s VAL 107 Cb 0.11 -4.47 0.17 0.00 0.00 0.00 0.00 36.38 32.19 3ifo s VAL 107 CO 0.82 -1.07 0.75 -0.62 0.00 0.00 0.00 175.10 174.97 3ifo s ASP 108 N 3.43 6.52 -0.07 3.32 -1.08 -1.26 -4.39 116.67 123.14 3ifo s ASP 108 Ca 0.11 -2.18 -0.32 0.00 -0.52 0.00 0.00 52.55 49.64 3ifo s ASP 108 Cb -0.23 -2.25 0.13 0.00 -1.46 0.00 0.00 42.92 39.11 3ifo s ASP 108 CO 0.02 -0.80 1.35 0.00 0.52 0.00 0.00 175.17 176.26 3ifo s ALA 109 N 1.27 -2.34 -1.06 3.66 0.00 -1.24 -5.01 121.76 117.04 3ifo s ALA 109 Ca 0.15 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3ifo s ALA 109 Cb -0.16 0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.33 3ifo s ALA 109 CO -0.04 -1.01 1.34 -1.64 0.00 0.00 0.00 175.76 174.41 3ifo s MET 110 N -2.26 3.75 0.23 0.00 -1.94 -1.26 -3.97 119.30 113.86 3ifo s MET 110 Ca 0.14 -1.83 0.20 0.00 -1.71 0.00 0.00 55.69 52.50 3ifo s MET 110 Cb 0.05 -5.13 0.05 0.00 2.01 0.00 0.00 34.83 31.82 3ifo s MET 110 CO -0.05 -1.93 1.18 0.38 -0.01 0.00 0.00 175.02 174.59 3ifo h ASP 111 N 8.53 0.00 -3.37 3.03 2.03 -1.80 -3.44 116.42 121.39 3ifo h ASP 111 Ca 0.24 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 56.16 3ifo h ASP 111 Cb 0.97 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.10 3ifo h ASP 111 CO 1.26 0.22 -0.75 -0.31 -1.03 0.00 0.00 179.24 178.62 3ifo s TYR 112 N -3.16 0.38 -0.02 4.15 2.02 -1.25 -5.02 117.35 114.45 3ifo s TYR 112 Ca 0.01 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.76 3ifo s TYR 112 Cb 0.08 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3ifo s TYR 112 CO 0.76 -0.21 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.82 3ifo s TRP 113 N 1.60 2.72 1.03 2.71 0.52 -1.26 -0.35 118.94 125.91 3ifo s TRP 113 Ca -0.02 -0.14 -0.14 0.00 0.02 0.00 0.00 56.10 55.82 3ifo s TRP 113 Cb -0.13 -1.59 0.20 0.00 -1.15 0.00 0.00 33.47 30.81 3ifo s TRP 113 CO -0.03 0.25 1.11 0.20 0.02 0.00 0.00 176.95 178.51 3ifo s GLY 114 N -1.06 1.57 0.18 0.98 0.00 -0.19 -4.63 107.32 104.18 3ifo s GLY 114 Ca 0.14 -0.56 0.25 0.00 0.00 0.00 0.00 44.72 44.55 3ifo s GLY 114 CO 0.03 0.11 1.77 0.61 0.00 0.00 0.00 173.10 175.62 3ifo n GLN 115 N -4.23 0.20 0.00 2.90 10.64 -1.25 -4.86 117.38 120.78 3ifo n GLN 115 Ca 0.07 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 3ifo n GLN 115 Cb 0.58 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 3ifo n GLN 115 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ifo n GLY 116 N 0.95 0.26 2.92 2.61 0.00 -1.26 -5.03 105.19 105.64 3ifo n GLY 116 Ca 0.05 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.95 0.62 0.07 2.61 -1.32 0.13 -4.75 115.64 110.05 3ifo s THR 117 Ca 0.00 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 59.99 3ifo s THR 117 Cb 0.00 -0.62 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 3ifo s THR 117 CO 0.00 0.24 1.09 -0.44 -2.21 0.00 0.00 174.62 173.30 3ifo s SER 118 N 0.79 7.24 -0.09 8.08 0.01 -1.26 -0.65 113.70 127.81 3ifo s SER 118 Ca -0.11 1.90 0.03 0.00 1.31 0.00 0.00 55.95 59.08 3ifo s SER 118 Cb -0.14 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.52 3ifo s SER 118 CO 0.01 -0.32 -0.18 -0.69 0.41 0.00 0.00 173.24 172.46 3ifo s VAL 119 N 0.71 1.61 -0.17 3.43 1.01 0.57 -4.12 120.40 123.44 3ifo s VAL 119 Ca 0.54 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3ifo s VAL 119 Cb -0.26 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3ifo s VAL 119 CO 0.30 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.79 3ifo s THR 120 N 0.56 2.27 -0.31 3.92 2.01 -0.02 -1.50 115.64 122.57 3ifo s THR 120 Ca -0.16 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.79 3ifo s THR 120 Cb -0.17 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 3ifo s THR 120 CO 0.05 0.53 0.49 -0.69 -0.69 0.00 0.00 174.62 174.31 3ifo s VAL 121 N 1.13 5.06 -0.07 3.82 1.01 -1.26 -1.43 120.40 128.66 3ifo s VAL 121 Ca 0.01 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 3ifo s VAL 121 Cb -0.14 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.47 3ifo s VAL 121 CO -0.08 -0.06 0.89 -0.55 0.00 0.00 0.00 175.10 175.31 3ifo s SER 122 N 1.67 -0.42 0.00 3.32 0.15 -0.02 -4.66 113.70 113.74 3ifo s SER 122 Ca 0.19 0.30 0.16 0.00 0.70 0.00 0.00 55.95 57.29 3ifo s SER 122 Cb -0.16 0.38 0.31 0.00 -1.71 0.00 0.00 66.02 64.85 3ifo s SER 122 CO 0.11 -0.51 1.22 -1.20 1.20 0.00 0.00 173.24 174.07 3ifo n SER 123 N 0.37 2.93 -4.62 5.45 7.64 -1.26 -3.73 113.62 120.40 3ifo n SER 123 Ca -0.11 -1.86 -0.36 0.00 1.01 0.00 0.00 58.87 57.54 3ifo n SER 123 Cb 0.59 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.68 3ifo n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ifo n ALA 124 N 0.95 -0.17 -2.91 -0.43 0.00 -1.26 -5.03 120.51 111.66 3ifo n ALA 124 Ca 0.14 -0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 3ifo n ALA 124 Cb 0.46 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 3ifo n ALA 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3ifo s LYS 125 N -3.31 3.34 0.12 0.00 -2.85 -1.26 -5.05 119.74 110.73 3ifo s LYS 125 Ca 0.74 -0.62 -0.35 0.00 -1.00 0.00 0.00 55.97 54.74 3ifo s LYS 125 Cb -0.35 -2.92 -0.15 0.00 -2.06 0.00 0.00 37.83 32.35 3ifo s LYS 125 CO 0.50 0.53 1.52 2.41 0.10 0.00 0.00 175.35 180.41 3ifo n THR 126 N -0.35 0.03 -3.68 3.79 -1.04 -1.26 -4.65 114.28 107.13 3ifo n THR 126 Ca -0.07 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 3ifo n THR 126 Cb 0.53 -1.33 -0.12 0.00 -1.82 0.00 0.00 70.33 67.59 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 0.96 -0.37 0.57 12.58 2.01 0.76 -4.94 115.64 127.22 3ifo s THR 127 Ca 0.81 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.85 3ifo s THR 127 Cb -0.77 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 3ifo s THR 127 CO 0.42 0.09 1.11 -2.84 -0.69 0.00 0.00 174.62 172.71 3ifo s PRO 128 N 2.16 3.23 0.48 4.92 0.02 -1.26 -1.74 135.00 142.81 3ifo s PRO 128 Ca -0.02 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.29 3ifo s PRO 128 Cb -0.11 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 3ifo s PRO 128 CO -0.10 -0.93 1.11 -1.25 -0.33 0.00 0.00 177.00 175.49 3ifo s PRO 129 N -3.55 3.71 0.04 5.54 0.04 -1.26 -4.47 135.00 135.04 3ifo s PRO 129 Ca 0.70 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 3ifo s PRO 129 Cb -0.22 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 3ifo s PRO 129 CO 0.31 -0.55 0.63 -1.12 0.04 0.00 0.00 177.00 176.31 3ifo s SER 130 N -1.66 7.07 -0.21 6.66 0.01 -0.04 -4.90 113.70 120.63 3ifo s SER 130 Ca 0.66 1.27 -0.01 0.00 1.31 0.00 0.00 55.95 59.19 3ifo s SER 130 Cb -0.23 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.63 3ifo s SER 130 CO 0.28 0.14 -0.13 -0.69 0.41 0.00 0.00 173.24 173.25 3ifo s VAL 131 N -0.49 2.55 -0.09 3.43 1.01 -1.26 -0.77 120.40 124.78 3ifo s VAL 131 Ca 0.32 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3ifo s VAL 131 Cb -0.19 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3ifo s VAL 131 CO 0.19 0.40 -0.13 -0.31 0.00 0.00 0.00 175.10 175.26 3ifo s TYR 132 N 1.33 2.78 0.32 5.22 2.02 0.14 -4.95 117.35 124.21 3ifo s TYR 132 Ca 0.03 -0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 56.11 3ifo s TYR 132 Cb -0.15 -1.73 -0.09 0.00 -0.40 0.00 0.00 41.96 39.59 3ifo s TYR 132 CO -0.08 0.03 1.10 -1.25 -1.57 0.00 0.00 175.55 173.78 3ifo s PRO 133 N -0.26 4.47 -0.37 -1.71 0.04 -1.26 -0.74 135.00 135.17 3ifo s PRO 133 Ca 0.02 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 3ifo s PRO 133 Cb -0.13 -3.00 0.09 0.00 0.04 0.00 0.00 34.50 31.51 3ifo s PRO 133 CO 0.03 0.07 0.12 -0.51 0.04 0.00 0.00 177.00 176.76 3ifo s LEU 134 N -1.82 4.84 0.03 -3.56 1.43 0.27 -4.87 118.68 115.00 3ifo s LEU 134 Ca 0.49 -1.88 0.08 0.00 -1.03 0.00 0.00 54.13 51.78 3ifo s LEU 134 Cb -0.30 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3ifo s LEU 134 CO 0.38 -0.44 -0.23 0.00 0.23 0.00 0.00 176.35 176.29 3ifo s ALA 135 N 1.12 2.38 0.00 4.21 0.00 -1.26 -1.87 121.76 126.34 3ifo s ALA 135 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3ifo s ALA 135 Cb -0.21 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3ifo s ALA 135 CO -0.04 0.55 0.00 -2.30 0.00 0.00 0.00 175.76 173.96 3ifo n PRO 136 N 1.81 3.74 0.00 0.00 -0.02 -1.26 -4.89 135.00 134.37 3ifo n PRO 136 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3ifo n PRO 136 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -4.66 2.55 2.88 -1.26 -4.63 113.62 108.50 3ifo n SER 144 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 3ifo n SER 144 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 -1.49 2.56 0.01 -1.46 1.00 -1.26 -0.94 119.30 117.72 3ifo s MET 145 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 55.69 54.99 3ifo s MET 145 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 34.83 32.27 3ifo s MET 145 CO 0.00 0.57 -0.25 0.54 0.00 0.00 0.00 175.02 175.88 3ifo s VAL 146 N -1.19 1.98 -0.18 -6.03 0.11 0.62 -4.73 120.40 110.99 3ifo s VAL 146 Ca 0.22 -1.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.04 3ifo s VAL 146 Cb -0.11 -1.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 3ifo s VAL 146 CO 0.14 0.46 0.02 -0.89 -3.33 0.00 0.00 175.10 171.50 3ifo s THR 147 N -0.67 4.38 0.41 5.04 2.01 -1.26 -1.45 115.64 124.10 3ifo s THR 147 Ca 0.10 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.97 3ifo s THR 147 Cb -0.10 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 3ifo s THR 147 CO 0.00 0.46 0.03 -0.76 -0.69 0.00 0.00 174.62 173.67 3ifo s LEU 148 N 0.47 2.52 0.24 4.42 1.43 0.37 -4.59 118.68 123.54 3ifo s LEU 148 Ca 0.00 -1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 51.45 3ifo s LEU 148 Cb -0.13 -0.67 0.07 0.00 0.03 0.00 0.00 46.19 45.48 3ifo s LEU 148 CO 0.02 -0.61 0.98 -0.83 0.23 0.00 0.00 176.35 176.13 3ifo s GLY 149 N -3.68 0.19 -0.01 -3.19 0.00 -0.78 -1.05 107.32 98.79 3ifo s GLY 149 Ca 0.29 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 3ifo s GLY 149 CO 0.14 1.80 0.11 0.00 0.00 0.00 0.00 173.10 175.15 3ifo s LEU 151 N -0.86 3.35 -0.39 0.00 2.96 0.08 -1.86 118.68 121.97 3ifo s LEU 151 Ca -0.09 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3ifo s LEU 151 Cb -0.05 -1.86 0.10 0.00 0.50 0.00 0.00 46.19 44.87 3ifo s LEU 151 CO 0.01 0.05 0.17 -0.69 -1.32 0.00 0.00 176.35 174.57 3ifo s VAL 152 N 1.09 3.25 -0.04 1.68 1.01 0.82 -0.68 120.40 127.54 3ifo s VAL 152 Ca 0.03 -1.95 0.07 0.00 0.00 0.00 0.00 61.98 60.13 3ifo s VAL 152 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3ifo s VAL 152 CO 0.02 -0.60 -0.24 -0.75 0.00 0.00 0.00 175.10 173.53 3ifo s LYS 153 N 1.16 2.16 0.00 2.72 2.20 0.05 -0.54 119.74 127.49 3ifo s LYS 153 Ca 0.06 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 3ifo s LYS 153 Cb -0.22 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 3ifo s LYS 153 CO -0.04 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 3ifo n GLY 154 N 2.74 0.76 3.83 5.54 0.00 0.01 -0.86 105.19 117.21 3ifo n GLY 154 Ca -0.17 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.58 2.82 -0.28 1.61 1.13 -0.73 -4.55 117.35 114.77 3ifo s TYR 155 Ca 0.00 -0.37 -0.23 0.00 -1.41 0.00 0.00 57.07 55.06 3ifo s TYR 155 Cb 0.00 -1.86 0.11 0.00 -1.10 0.00 0.00 41.96 39.11 3ifo s TYR 155 CO 0.00 0.14 0.92 0.12 -2.51 0.00 0.00 175.55 174.22 3ifo s PHE 156 N -2.37 -0.61 0.54 -3.49 5.36 -0.71 -0.33 117.98 116.36 3ifo s PHE 156 Ca 0.42 1.42 -0.04 0.00 -0.96 0.00 0.00 56.93 57.78 3ifo s PHE 156 Cb -0.04 0.36 0.11 0.00 -0.34 0.00 0.00 43.02 43.12 3ifo s PHE 156 CO 0.26 -0.30 0.74 -0.35 -1.46 0.00 0.00 175.22 174.11 3ifo n PRO 157 N 2.73 -0.19 -1.56 10.12 -0.04 -1.26 -0.17 135.00 144.64 3ifo n PRO 157 Ca -0.14 -1.69 -0.32 0.00 -0.04 0.00 0.00 63.50 61.31 3ifo n PRO 157 Cb 0.56 -0.59 0.06 0.00 -0.04 0.00 0.00 33.50 33.49 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 -4.44 2.58 0.41 0.54 2.02 -1.26 -4.69 118.70 113.85 3ifo s GLU 158 Ca 0.46 1.30 0.08 0.00 0.02 0.00 0.00 54.97 56.83 3ifo s GLU 158 Cb -0.02 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.28 3ifo s GLU 158 CO 0.31 -1.41 0.51 -1.25 0.02 0.00 0.00 175.26 173.45 3ifo s PRO 159 N -4.42 2.78 0.17 0.39 0.04 -1.26 -4.97 135.00 127.72 3ifo s PRO 159 Ca 0.65 -1.29 0.10 0.00 0.04 0.00 0.00 61.00 60.50 3ifo s PRO 159 Cb -0.19 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3ifo s PRO 159 CO 0.47 -0.22 -0.20 0.14 0.04 0.00 0.00 177.00 177.23 3ifo s VAL 160 N -2.36 2.60 0.16 -0.36 -7.23 -1.26 -4.38 120.40 107.56 3ifo s VAL 160 Ca 0.52 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.96 3ifo s VAL 160 Cb -0.08 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3ifo s VAL 160 CO 0.32 -0.04 -0.05 0.42 -0.31 0.00 0.00 175.10 175.43 3ifo s THR 161 N -1.48 3.50 -0.05 5.32 -4.23 -0.57 -4.97 115.64 113.15 3ifo s THR 161 Ca 0.20 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 3ifo s THR 161 Cb -0.09 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.05 3ifo s THR 161 CO 0.10 -0.06 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.40 3ifo s VAL 162 N -1.60 0.53 0.36 2.29 1.01 -1.26 -1.46 120.40 120.28 3ifo s VAL 162 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3ifo s VAL 162 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 3ifo s VAL 162 CO 0.16 0.23 0.07 0.42 0.00 0.00 0.00 175.10 175.99 3ifo s THR 163 N 1.03 1.07 -0.04 3.92 -4.23 0.01 -4.97 115.64 112.42 3ifo s THR 163 Ca -0.09 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3ifo s THR 163 Cb -0.14 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 3ifo s THR 163 CO -0.01 0.00 -0.15 0.26 -0.54 0.00 0.00 174.62 174.18 3ifo s TRP 164 N -3.23 1.51 -1.60 3.99 0.52 -1.26 -0.42 118.94 118.46 3ifo s TRP 164 Ca 0.31 -0.42 -0.09 0.00 0.02 0.00 0.00 56.10 55.92 3ifo s TRP 164 Cb 0.07 -1.02 0.08 0.00 -1.15 0.00 0.00 33.47 31.45 3ifo s TRP 164 CO 0.15 -0.14 0.48 0.09 0.02 0.00 0.00 176.95 177.54 3ifo n ASN 165 N 3.17 -1.26 -1.98 2.95 3.02 0.82 -0.02 115.26 121.95 3ifo n ASN 165 Ca -0.18 -1.09 -0.19 0.00 -0.03 0.00 0.00 54.58 53.09 3ifo n ASN 165 Cb 0.53 -2.48 -0.05 0.00 -0.61 0.00 0.00 39.78 37.18 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 -2.79 -5.27 0.00 6.41 7.64 -1.26 -1.61 113.62 116.74 3ifo n SER 166 Ca -0.13 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3ifo n SER 166 Cb 0.59 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 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 -0.66 1.72 0.23 0.23 0.00 0.97 -4.91 105.19 102.77 3ifo n GLY 167 Ca -0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3ifo n GLY 167 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ifo h SER 168 N 0.00 0.00 -3.46 1.61 0.02 -1.25 -3.35 113.55 107.12 3ifo h SER 168 Ca 0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 3ifo h SER 168 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 3ifo h SER 168 CO 0.00 0.21 -0.25 -0.22 -1.14 0.00 0.00 176.83 175.42 3ifo s LEU 169 N -7.30 5.96 -0.04 5.07 2.96 -1.07 -4.85 118.68 119.42 3ifo s LEU 169 Ca -0.02 -2.16 0.04 0.00 -0.22 0.00 0.00 54.13 51.78 3ifo s LEU 169 Cb 0.12 -2.08 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 3ifo s LEU 169 CO 0.63 -0.67 0.03 -1.54 -1.32 0.00 0.00 176.35 173.48 3ifo n SER 170 N 4.62 3.83 -4.79 3.68 3.41 -1.26 -4.20 113.62 118.91 3ifo n SER 170 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.22 3ifo n SER 170 Cb 0.41 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 64.99 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 -3.47 7.15 -0.67 4.04 0.01 -1.26 -3.84 113.70 115.65 3ifo s SER 171 Ca -0.02 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.07 3ifo s SER 171 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3ifo s SER 171 CO 0.20 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.25 3ifo n GLY 172 N 0.23 0.66 3.76 3.44 0.00 -1.26 -4.70 105.19 107.32 3ifo n GLY 172 Ca 0.04 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.28 5.09 -0.15 1.61 1.01 -1.25 -1.32 120.40 123.11 3ifo s VAL 173 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3ifo s VAL 173 Cb 0.00 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3ifo s VAL 173 CO 0.00 0.55 -0.09 -1.00 0.00 0.00 0.00 175.10 174.56 3ifo s HIS 174 N -0.41 1.87 -0.22 5.22 3.76 0.29 -4.98 115.29 120.83 3ifo s HIS 174 Ca 0.10 -1.11 -0.04 0.00 -0.15 0.00 0.00 55.06 53.87 3ifo s HIS 174 Cb -0.12 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3ifo s HIS 174 CO 0.02 -0.62 -0.04 0.99 -0.85 0.00 0.00 174.74 174.24 3ifo s THR 175 N 1.58 3.46 0.27 1.30 2.01 -1.26 -0.06 115.64 122.95 3ifo s THR 175 Ca 0.03 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 3ifo s THR 175 Cb -0.14 -2.57 -0.07 0.00 0.01 0.00 0.00 72.50 69.73 3ifo s THR 175 CO -0.09 0.42 0.59 -0.36 -0.69 0.00 0.00 174.62 174.50 3ifo s PHE 176 N 1.40 3.44 0.48 4.92 0.40 -0.50 -5.01 117.98 123.11 3ifo s PHE 176 Ca 0.05 0.87 -0.23 0.00 -0.60 0.00 0.00 56.93 57.02 3ifo s PHE 176 Cb -0.14 -2.27 -0.07 0.00 0.51 0.00 0.00 43.02 41.05 3ifo s PHE 176 CO -0.02 0.18 1.25 -2.14 0.70 0.00 0.00 175.22 175.20 3ifo s PRO 177 N -3.13 3.59 0.58 0.24 0.02 -1.26 -4.41 135.00 130.62 3ifo s PRO 177 Ca 0.48 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 63.30 3ifo s PRO 177 Cb -0.11 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 3ifo s PRO 177 CO 0.24 -0.76 1.23 0.00 -0.33 0.00 0.00 177.00 177.38 3ifo s ALA 178 N -1.41 2.60 0.08 -1.55 0.00 -1.26 -4.80 121.76 115.41 3ifo s ALA 178 Ca 0.65 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.73 3ifo s ALA 178 Cb -0.34 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3ifo s ALA 178 CO 0.42 -1.18 -0.15 0.08 0.00 0.00 0.00 175.76 174.92 3ifo s VAL 179 N -1.53 1.22 -0.22 0.00 1.01 -0.06 -4.93 120.40 115.88 3ifo s VAL 179 Ca 0.76 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3ifo s VAL 179 Cb -0.32 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 3ifo s VAL 179 CO 0.35 -0.20 1.18 -0.76 0.00 0.00 0.00 175.10 175.68 3ifo s LEU 180 N -1.78 4.08 -0.34 3.92 1.43 -1.26 -1.12 118.68 123.61 3ifo s LEU 180 Ca -0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3ifo s LEU 180 Cb -0.10 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.69 3ifo s LEU 180 CO 0.03 -0.80 0.12 -1.58 0.23 0.00 0.00 176.35 174.35 3ifo s GLN 181 N 3.54 0.90 -0.68 1.70 0.74 0.50 -4.84 119.66 121.51 3ifo s GLN 181 Ca 0.51 -1.33 -0.00 0.00 0.05 0.00 0.00 55.36 54.58 3ifo s GLN 181 Cb -0.18 -2.18 0.00 0.00 1.10 0.00 0.00 33.01 31.75 3ifo s GLN 181 CO 0.13 -1.02 0.57 0.43 -0.55 0.00 0.00 175.29 174.86 3ifo n SER 182 N 4.54 -2.18 -0.24 6.67 7.64 -1.26 -2.63 113.62 126.17 3ifo n SER 182 Ca 0.01 -0.35 -0.03 0.00 1.01 0.00 0.00 58.87 59.51 3ifo n SER 182 Cb 0.41 -3.12 -0.01 0.00 -1.01 0.00 0.00 64.21 60.47 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 -2.13 -5.17 -4.27 6.43 8.00 -1.26 -4.96 116.55 113.18 3ifo n ASP 183 Ca -0.15 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 3ifo n ASP 183 Cb 0.59 -2.95 -0.10 0.00 -0.02 0.00 0.00 41.12 38.65 3ifo n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ifo s LEU 184 N -0.71 2.37 0.11 0.64 1.43 -1.08 -4.75 118.68 116.69 3ifo s LEU 184 Ca 0.00 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 3ifo s LEU 184 Cb 0.00 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 3ifo s LEU 184 CO 0.00 -0.42 0.29 -0.31 0.23 0.00 0.00 176.35 176.13 3ifo s TYR 185 N -3.40 3.50 -0.01 0.29 2.02 0.55 0.19 117.35 120.48 3ifo s TYR 185 Ca 0.21 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.24 3ifo s TYR 185 Cb 0.04 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3ifo s TYR 185 CO 0.03 0.51 -0.00 0.99 -1.57 0.00 0.00 175.55 175.51 3ifo s THR 186 N -1.62 0.12 0.22 -0.71 2.01 -0.27 -0.81 115.64 114.57 3ifo s THR 186 Ca 0.37 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3ifo s THR 186 Cb -0.12 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 3ifo s THR 186 CO 0.27 0.08 0.16 -1.48 -0.69 0.00 0.00 174.62 172.96 3ifo s LEU 187 N 0.47 1.25 0.16 4.42 0.05 0.29 -0.88 118.68 124.44 3ifo s LEU 187 Ca -0.04 -1.45 -0.06 0.00 0.05 0.00 0.00 54.13 52.63 3ifo s LEU 187 Cb -0.07 0.42 -0.02 0.00 -2.05 0.00 0.00 46.19 44.47 3ifo s LEU 187 CO -0.01 -0.88 0.21 -0.94 -0.55 0.00 0.00 176.35 174.18 3ifo s SER 188 N -3.19 0.13 -0.10 1.48 1.04 -1.26 -0.13 113.70 111.66 3ifo s SER 188 Ca 0.39 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.70 3ifo s SER 188 Cb 0.06 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3ifo s SER 188 CO 0.15 -0.85 0.28 -0.55 0.98 0.00 0.00 173.24 173.24 3ifo s SER 189 N -3.01 -0.29 0.19 7.02 0.15 -0.78 -1.41 113.70 115.58 3ifo s SER 189 Ca 0.22 0.55 0.10 0.00 0.70 0.00 0.00 55.95 57.51 3ifo s SER 189 Cb 0.05 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3ifo s SER 189 CO 0.02 -0.10 -0.20 -0.94 1.20 0.00 0.00 173.24 173.22 3ifo s SER 190 N 0.12 3.07 -0.02 5.45 1.04 0.92 -1.29 113.70 122.98 3ifo s SER 190 Ca -0.00 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 3ifo s SER 190 Cb -0.02 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3ifo s SER 190 CO 0.00 0.03 0.14 0.54 0.98 0.00 0.00 173.24 174.93 3ifo s VAL 191 N -2.01 0.05 -0.12 5.02 0.11 -0.21 -0.55 120.40 122.69 3ifo s VAL 191 Ca 0.20 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 3ifo s VAL 191 Cb -0.06 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3ifo s VAL 191 CO 0.09 -0.23 -0.17 0.42 -3.33 0.00 0.00 175.10 171.88 3ifo s THR 192 N -0.79 2.69 0.17 5.04 -4.23 -0.44 -0.48 115.64 117.61 3ifo s THR 192 Ca -0.09 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3ifo s THR 192 Cb -0.05 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 3ifo s THR 192 CO 0.01 0.54 -0.10 0.68 -0.54 0.00 0.00 174.62 175.21 3ifo s VAL 193 N 0.35 1.28 0.17 2.29 -7.23 -0.53 -4.74 120.40 111.99 3ifo s VAL 193 Ca -0.14 -2.09 -0.33 0.00 -1.81 0.00 0.00 61.98 57.60 3ifo s VAL 193 Cb -0.17 -1.97 -0.14 0.00 0.56 0.00 0.00 36.38 34.67 3ifo s VAL 193 CO 0.07 -0.65 1.52 -2.65 -0.31 0.00 0.00 175.10 173.07 3ifo n PRO 194 N -0.27 2.03 -0.25 4.82 -0.02 -1.26 -0.27 135.00 139.77 3ifo n PRO 194 Ca -0.09 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3ifo n PRO 194 Cb 0.61 -2.46 0.40 0.00 -0.02 0.00 0.00 33.50 32.03 3ifo n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ifo h SER 195 N 5.40 0.60 0.44 2.55 0.02 -1.33 -1.30 113.55 119.94 3ifo h SER 195 Ca -0.45 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 3ifo h SER 195 Cb 1.27 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3ifo h SER 195 CO 0.85 0.30 -0.08 0.28 -1.14 0.00 0.00 176.83 177.04 3ifo h SER 196 N 0.63 0.00 0.70 3.07 0.02 -1.89 -2.99 113.55 113.09 3ifo h SER 196 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3ifo h SER 196 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3ifo h SER 196 CO -0.19 0.08 -0.33 0.35 -1.14 0.00 0.00 176.83 175.59 3ifo n THR 197 N -3.42 0.03 -4.53 -2.27 -2.24 -0.49 -4.59 114.28 96.77 3ifo n THR 197 Ca -0.01 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 3ifo n THR 197 Cb 0.23 -0.04 -0.16 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.01 1.29 -1.95 4.78 -0.00 -1.13 0.63 118.94 119.54 3ifo s TRP 198 Ca 0.12 -0.41 0.12 0.00 -0.00 0.00 0.00 56.10 55.93 3ifo s TRP 198 Cb 0.18 -0.93 0.36 0.00 -0.00 0.00 0.00 33.47 33.08 3ifo s TRP 198 CO 0.64 -0.20 1.30 -0.35 -0.00 0.00 0.00 176.95 178.34 3ifo n PRO 199 N 3.57 1.98 -0.24 5.86 -0.04 -1.26 -4.91 135.00 139.96 3ifo n PRO 199 Ca -0.21 -1.48 0.06 0.00 -0.04 0.00 0.00 63.50 61.83 3ifo n PRO 199 Cb 0.53 -1.34 0.31 0.00 -0.04 0.00 0.00 33.50 32.95 3ifo n PRO 199 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ifo h SER 200 N 2.38 0.77 -3.42 3.54 4.64 -1.80 -3.38 113.55 116.27 3ifo h SER 200 Ca 0.00 0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 60.67 3ifo h SER 200 Cb 0.57 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 62.31 3ifo h SER 200 CO 0.01 0.49 -0.67 -1.61 -0.87 0.00 0.00 176.83 174.18 3ifo s GLU 201 N -5.77 3.26 0.41 4.77 0.41 0.20 -5.10 118.70 116.88 3ifo s GLU 201 Ca -0.10 -0.51 -0.25 0.00 -0.41 0.00 0.00 54.97 53.69 3ifo s GLU 201 Cb 0.20 -2.79 -0.08 0.00 -1.78 0.00 0.00 34.13 29.68 3ifo s GLU 201 CO 0.78 0.45 1.23 -0.08 -0.49 0.00 0.00 175.26 177.15 3ifo s THR 202 N -0.22 2.91 -0.09 3.63 -1.32 -1.26 -4.49 115.64 114.80 3ifo s THR 202 Ca 0.04 0.77 0.02 0.00 -1.21 0.00 0.00 61.69 61.31 3ifo s THR 202 Cb -0.13 -3.44 0.01 0.00 -1.51 0.00 0.00 72.50 67.44 3ifo s THR 202 CO 0.02 0.08 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.69 3ifo s VAL 203 N -1.35 1.29 -0.06 5.08 1.01 -1.26 -4.99 120.40 120.10 3ifo s VAL 203 Ca 0.58 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3ifo s VAL 203 Cb -0.34 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3ifo s VAL 203 CO 0.43 0.40 -0.11 -0.89 0.00 0.00 0.00 175.10 174.92 3ifo s THR 204 N 0.92 1.06 -0.20 3.92 2.01 -1.26 -1.14 115.64 120.94 3ifo s THR 204 Ca -0.09 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 3ifo s THR 204 Cb -0.15 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3ifo s THR 204 CO 0.00 0.34 0.22 0.00 -0.69 0.00 0.00 174.62 174.49 3ifo s ASN 206 N 0.66 5.76 -0.18 0.00 -0.87 0.44 -1.21 114.94 119.53 3ifo s ASN 206 Ca 0.12 -0.65 -0.01 0.00 -1.57 0.00 0.00 52.86 50.74 3ifo s ASN 206 Cb -0.13 -2.05 -0.00 0.00 -0.02 0.00 0.00 41.25 39.05 3ifo s ASN 206 CO 0.03 -0.27 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.48 3ifo s VAL 207 N 1.63 2.93 -0.06 1.60 1.01 0.03 -0.81 120.40 126.73 3ifo s VAL 207 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3ifo s VAL 207 Cb -0.18 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3ifo s VAL 207 CO 0.08 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 3ifo s ALA 208 N 1.11 2.76 -0.44 5.51 0.00 -0.53 -0.56 121.76 129.61 3ifo s ALA 208 Ca 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3ifo s ALA 208 Cb -0.14 -1.05 0.13 0.00 0.00 0.00 0.00 23.12 22.05 3ifo s ALA 208 CO -0.03 0.56 0.23 -1.58 0.00 0.00 0.00 175.76 174.94 3ifo s HIS 209 N -0.74 2.10 0.35 0.00 2.46 0.47 -1.52 115.29 118.42 3ifo s HIS 209 Ca 0.11 -2.48 0.03 0.00 0.47 0.00 0.00 55.06 53.20 3ifo s HIS 209 Cb -0.11 -1.98 0.64 0.00 -0.13 0.00 0.00 32.58 31.00 3ifo s HIS 209 CO 0.01 -0.78 1.98 -1.35 -2.47 0.00 0.00 174.74 172.13 3ifo h PRO 210 N 6.77 0.84 0.00 2.88 0.11 -1.79 -2.09 132.00 138.72 3ifo h PRO 210 Ca -0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3ifo h PRO 210 Cb 0.93 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3ifo h PRO 210 CO 0.50 0.55 -0.06 0.00 -0.21 0.00 0.00 178.00 178.78 3ifo h ALA 211 N 1.59 1.58 -0.35 -0.75 0.00 -1.90 -0.12 119.26 119.30 3ifo h ALA 211 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ifo h ALA 211 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ifo h ALA 211 CO -0.07 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 3ifo n SER 212 N -4.00 3.20 -2.46 0.00 3.41 -0.89 -4.97 113.62 107.91 3ifo n SER 212 Ca -0.03 -2.20 -0.14 0.00 -0.26 0.00 0.00 58.87 56.24 3ifo n SER 212 Cb 0.15 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.39 -4.28 -4.51 4.04 7.64 -0.06 -4.96 113.62 111.88 3ifo n SER 213 Ca 0.14 0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.86 3ifo n SER 213 Cb 0.53 -3.62 -0.11 0.00 -1.01 0.00 0.00 64.21 60.00 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 -2.70 3.06 0.01 0.44 -4.23 -0.93 -5.00 115.64 106.28 3ifo s THR 214 Ca 0.01 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 3ifo s THR 214 Cb -0.01 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 3ifo s THR 214 CO 0.02 0.21 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.64 3ifo s LYS 215 N -1.85 0.98 -0.06 3.99 1.02 -1.26 -0.39 119.74 122.17 3ifo s LYS 215 Ca 0.18 -0.58 0.03 0.00 0.02 0.00 0.00 55.97 55.62 3ifo s LYS 215 Cb -0.11 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3ifo s LYS 215 CO 0.09 0.25 -0.14 0.08 -0.92 0.00 0.00 175.35 174.71 3ifo s VAL 216 N -0.53 1.27 -0.59 3.17 1.01 0.27 -5.00 120.40 119.99 3ifo s VAL 216 Ca 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3ifo s VAL 216 Cb -0.06 -1.13 0.15 0.00 0.00 0.00 0.00 36.38 35.34 3ifo s VAL 216 CO 0.00 0.38 0.37 -1.81 0.00 0.00 0.00 175.10 174.04 3ifo s ASP 217 N 0.42 4.77 -0.45 3.32 1.01 -1.26 -0.79 116.67 123.69 3ifo s ASP 217 Ca -0.11 -3.07 -0.21 0.00 0.71 0.00 0.00 52.55 49.87 3ifo s ASP 217 Cb -0.14 -1.73 0.03 0.00 1.01 0.00 0.00 42.92 42.08 3ifo s ASP 217 CO 0.03 -0.27 0.68 -0.75 0.21 0.00 0.00 175.17 175.08 3ifo s LYS 218 N -0.37 3.30 0.20 8.23 2.47 -0.35 -4.86 119.74 128.36 3ifo s LYS 218 Ca 0.18 -0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 53.95 3ifo s LYS 218 Cb -0.21 -3.96 -0.09 0.00 -1.46 0.00 0.00 37.83 32.11 3ifo s LYS 218 CO -0.03 -1.05 1.36 0.21 0.16 0.00 0.00 175.35 176.00 3ifo s LYS 219 N 2.93 4.35 -0.39 4.03 2.20 -1.26 -1.38 119.74 130.21 3ifo s LYS 219 Ca 0.24 2.12 -0.23 0.00 -0.36 0.00 0.00 55.97 57.74 3ifo s LYS 219 Cb -0.14 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3ifo s LYS 219 CO 0.19 -0.32 0.77 0.42 -0.36 0.00 0.00 175.35 176.06 3ifo s ILE 220 N 0.21 4.72 0.13 5.43 -1.09 -0.29 -4.88 121.20 125.43 3ifo s ILE 220 Ca 0.58 0.71 0.07 0.00 -2.23 0.00 0.00 60.65 59.78 3ifo s ILE 220 Cb -0.38 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 3ifo s ILE 220 CO 0.38 -0.52 -0.03 0.68 -1.23 0.00 0.00 174.94 174.22 3ifo s VAL 221 N 3.13 3.69 1.00 2.92 -7.23 -1.26 -4.65 120.40 118.00 3ifo s VAL 221 Ca 0.30 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 3ifo s VAL 221 Cb -0.13 -2.79 0.10 0.00 0.56 0.00 0.00 36.38 34.13 3ifo s VAL 221 CO 0.19 0.02 0.59 -2.65 -0.31 0.00 0.00 175.10 172.94 3ifo n PRO 222 N 0.33 -0.80 -1.00 4.82 -0.02 -1.26 -4.75 135.00 132.32 3ifo n PRO 222 Ca -0.11 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 3ifo n PRO 222 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3ifo n PRO 222 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02