#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aa4 s THR 2 N 0.00 2.88 -0.17 2.03 2.01 -1.26 -3.78 115.64 117.34 2aa4 s THR 2 Ca 0.00 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 2aa4 s THR 2 Cb 0.00 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2aa4 s THR 2 CO 0.00 0.56 0.15 -0.89 -0.69 0.00 0.00 174.62 173.76 2aa4 s THR 3 N -0.26 5.42 -0.53 -0.82 2.01 0.31 -1.10 115.64 120.66 2aa4 s THR 3 Ca 0.01 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 2aa4 s THR 3 Cb -0.13 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.94 2aa4 s THR 3 CO 0.03 0.49 1.08 -0.22 -0.69 0.00 0.00 174.62 175.30 2aa4 s LEU 4 N -0.05 3.73 -0.19 4.42 2.96 0.12 -1.32 118.68 128.36 2aa4 s LEU 4 Ca 0.11 0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.99 2aa4 s LEU 4 Cb -0.12 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 2aa4 s LEU 4 CO 0.00 -1.31 0.13 0.00 -1.32 0.00 0.00 176.35 173.86 2aa4 s ALA 5 N 4.42 3.70 -0.04 5.97 0.00 -0.34 -0.75 121.76 134.72 2aa4 s ALA 5 Ca 0.40 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.74 2aa4 s ALA 5 Cb -0.09 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 2aa4 s ALA 5 CO 0.25 0.18 -0.22 0.42 0.00 0.00 0.00 175.76 176.40 2aa4 s ILE 6 N 0.29 1.75 -0.28 0.00 1.01 0.51 -0.91 121.20 123.57 2aa4 s ILE 6 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aa4 s ILE 6 Cb -0.11 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 40.94 2aa4 s ILE 6 CO -0.02 0.49 -0.05 -0.62 0.00 0.00 0.00 174.94 174.75 2aa4 s ASP 7 N -0.23 4.68 -0.45 3.58 -1.08 0.63 0.58 116.67 124.39 2aa4 s ASP 7 Ca 0.01 -1.30 -0.18 0.00 -0.52 0.00 0.00 52.55 50.56 2aa4 s ASP 7 Cb -0.11 -1.65 0.04 0.00 -1.46 0.00 0.00 42.92 39.74 2aa4 s ASP 7 CO 0.02 -0.23 0.49 -0.63 0.52 0.00 0.00 175.17 175.34 2aa4 s ILE 8 N 1.20 5.03 0.31 4.11 1.01 0.11 -1.29 121.20 131.68 2aa4 s ILE 8 Ca -0.06 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2aa4 s ILE 8 Cb -0.20 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.17 2aa4 s ILE 8 CO -0.03 -0.54 0.19 0.61 0.00 0.00 0.00 174.94 175.17 2aa4 n GLY 9 N 5.13 3.06 0.18 6.18 0.00 -0.84 -1.22 105.19 117.67 2aa4 n GLY 9 Ca -0.07 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 2aa4 n GLY 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aa4 h GLY 10 N 0.43 0.50 0.00 -0.02 0.00 -1.97 -3.39 103.07 98.63 2aa4 h GLY 10 Ca -0.20 -0.75 -0.32 0.00 0.00 0.00 0.00 47.33 46.06 2aa4 h GLY 10 CO 0.32 0.67 -2.20 -1.30 0.00 0.00 0.00 176.54 174.03 2aa4 n THR 11 N -3.83 1.21 -4.66 4.70 -2.24 -1.26 -4.70 114.28 103.50 2aa4 n THR 11 Ca -0.05 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 2aa4 n THR 11 Cb 0.74 -1.30 -0.14 0.00 -2.10 0.00 0.00 70.33 67.53 2aa4 n THR 11 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2aa4 s LYS 12 N -2.42 1.29 -0.32 -0.78 -2.85 -1.26 -0.61 119.74 112.80 2aa4 s LYS 12 Ca -0.29 -0.76 -0.08 0.00 -1.00 0.00 0.00 55.97 53.84 2aa4 s LYS 12 Cb 0.08 -1.32 0.01 0.00 -2.06 0.00 0.00 37.83 34.54 2aa4 s LYS 12 CO 0.47 0.35 0.13 -0.51 0.10 0.00 0.00 175.35 175.89 2aa4 s LEU 13 N -0.84 4.12 0.12 2.77 1.43 0.21 -2.00 118.68 124.50 2aa4 s LEU 13 Ca 0.06 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2aa4 s LEU 13 Cb -0.08 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2aa4 s LEU 13 CO 0.01 -0.24 -0.12 0.00 0.23 0.00 0.00 176.35 176.23 2aa4 s ALA 14 N 1.54 2.89 0.00 4.21 0.00 -0.41 -0.70 121.76 129.30 2aa4 s ALA 14 Ca 0.03 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 2aa4 s ALA 14 Cb -0.18 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2aa4 s ALA 14 CO 0.04 0.59 0.26 0.00 0.00 0.00 0.00 175.76 176.66 2aa4 s ALA 15 N -1.30 -0.64 0.25 0.00 0.00 -0.69 -0.27 121.76 119.11 2aa4 s ALA 15 Ca 0.21 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2aa4 s ALA 15 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2aa4 s ALA 15 CO 0.13 -0.28 0.47 0.00 0.00 0.00 0.00 175.76 176.09 2aa4 s ALA 16 N -1.60 -0.20 -0.21 0.00 0.00 -0.09 -0.23 121.76 119.43 2aa4 s ALA 16 Ca -0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 2aa4 s ALA 16 Cb -0.05 1.08 -0.02 0.00 0.00 0.00 0.00 23.12 24.13 2aa4 s ALA 16 CO 0.02 -0.85 -0.01 -0.51 0.00 0.00 0.00 175.76 174.41 2aa4 s LEU 17 N -3.02 3.15 -0.14 0.00 1.43 0.35 -1.19 118.68 119.25 2aa4 s LEU 17 Ca 0.23 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2aa4 s LEU 17 Cb -0.00 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2aa4 s LEU 17 CO 0.09 0.03 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 2aa4 s ILE 18 N 1.22 1.39 0.00 -0.59 1.01 -0.43 -1.06 121.20 122.73 2aa4 s ILE 18 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2aa4 s ILE 18 Cb -0.15 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2aa4 s ILE 18 CO 0.01 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2aa4 n GLY 19 N 4.83 0.93 0.22 6.18 0.00 -1.26 -0.53 105.19 115.55 2aa4 n GLY 19 Ca -0.15 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 43.98 2aa4 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 h ALA 20 N -0.85 1.64 0.00 4.61 0.00 -1.96 -2.27 119.26 120.42 2aa4 h ALA 20 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2aa4 h ALA 20 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2aa4 h ALA 20 CO 0.00 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 2aa4 n ASP 21 N -4.27 0.00 -0.14 0.00 5.75 -1.26 -4.90 116.55 111.73 2aa4 n ASP 21 Ca -0.02 0.29 -0.02 0.00 -0.01 0.00 0.00 54.79 55.03 2aa4 n ASP 21 Cb 0.27 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 39.94 2aa4 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aa4 n GLY 22 N 0.58 0.53 3.79 6.12 0.00 -0.85 -5.01 105.19 110.34 2aa4 n GLY 22 Ca 0.07 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2aa4 n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aa4 s GLN 23 N -1.21 4.44 -0.38 1.61 0.74 -1.26 -4.94 119.66 118.65 2aa4 s GLN 23 Ca 0.00 1.05 -0.22 0.00 0.05 0.00 0.00 55.36 56.24 2aa4 s GLN 23 Cb 0.00 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 31.06 2aa4 s GLN 23 CO 0.00 0.47 0.73 0.42 -0.55 0.00 0.00 175.29 176.37 2aa4 s ILE 24 N -1.34 4.77 0.09 -2.34 1.01 -1.26 -4.03 121.20 118.09 2aa4 s ILE 24 Ca 0.40 0.65 0.10 0.00 0.00 0.00 0.00 60.65 61.80 2aa4 s ILE 24 Cb -0.20 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 2aa4 s ILE 24 CO 0.24 -0.47 -0.26 -0.13 0.00 0.00 0.00 174.94 174.31 2aa4 s ARG 25 N 3.01 1.55 -1.28 2.79 0.52 -0.23 -4.81 118.95 120.50 2aa4 s ARG 25 Ca 0.28 -1.23 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2aa4 s ARG 25 Cb -0.13 -1.89 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 2aa4 s ARG 25 CO 0.18 0.47 0.73 -0.25 0.02 0.00 0.00 175.30 176.44 2aa4 n ASP 26 N 1.31 -1.58 -4.63 0.23 8.00 -1.26 -0.50 116.55 118.12 2aa4 n ASP 26 Ca -0.18 -0.81 -0.43 0.00 0.71 0.00 0.00 54.79 54.09 2aa4 n ASP 26 Cb 0.53 -4.14 -0.02 0.00 -0.02 0.00 0.00 41.12 37.46 2aa4 n ASP 26 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2aa4 s ARG 27 N -5.88 3.81 0.23 -1.24 3.52 -1.26 -4.47 118.95 113.67 2aa4 s ARG 27 Ca 0.04 1.64 0.08 0.00 -0.13 0.00 0.00 55.73 57.36 2aa4 s ARG 27 Cb -0.01 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 2aa4 s ARG 27 CO 0.81 -1.27 0.04 1.03 -0.81 0.00 0.00 175.30 175.10 2aa4 s ARG 28 N 4.62 2.47 -0.11 5.12 0.52 0.68 -5.00 118.95 127.24 2aa4 s ARG 28 Ca 0.70 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.58 2aa4 s ARG 28 Cb -0.24 -2.32 0.03 0.00 0.52 0.00 0.00 34.95 32.94 2aa4 s ARG 28 CO 0.29 0.40 0.30 -2.00 0.02 0.00 0.00 175.30 174.31 2aa4 s GLU 29 N -3.46 0.36 0.02 3.54 2.12 -1.26 -1.71 118.70 118.31 2aa4 s GLU 29 Ca 0.30 0.40 -0.00 0.00 0.36 0.00 0.00 54.97 56.03 2aa4 s GLU 29 Cb -0.08 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 2aa4 s GLU 29 CO 0.21 -0.04 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.35 2aa4 s LEU 30 N 0.12 2.19 0.54 2.70 1.43 0.13 -5.01 118.68 120.78 2aa4 s LEU 30 Ca -0.00 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 2aa4 s LEU 30 Cb -0.02 0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.26 2aa4 s LEU 30 CO 0.00 -0.29 1.09 -2.84 0.23 0.00 0.00 176.35 174.55 2aa4 s PRO 31 N -1.37 3.46 -0.03 1.29 0.02 -1.26 0.65 135.00 137.76 2aa4 s PRO 31 Ca -0.15 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 2aa4 s PRO 31 Cb -0.09 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 2aa4 s PRO 31 CO -0.01 -0.73 1.24 0.99 -0.33 0.00 0.00 177.00 178.15 2aa4 s THR 32 N -1.94 4.12 0.26 0.99 2.01 0.22 -4.57 115.64 116.73 2aa4 s THR 32 Ca 0.70 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.87 2aa4 s THR 32 Cb -0.20 -3.95 -0.14 0.00 0.01 0.00 0.00 72.50 68.22 2aa4 s THR 32 CO 0.26 0.02 1.18 -2.65 -0.69 0.00 0.00 174.62 172.75 2aa4 n PRO 33 N 5.01 1.59 -0.15 4.92 -0.02 -1.26 -4.92 135.00 140.18 2aa4 n PRO 33 Ca 0.11 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2aa4 n PRO 33 Cb 0.46 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 2aa4 n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aa4 h ALA 34 N 2.94 0.65 -1.94 3.55 0.00 -1.98 -3.40 119.26 119.07 2aa4 h ALA 34 Ca -0.43 -0.41 -0.57 0.00 0.00 0.00 0.00 54.91 53.51 2aa4 h ALA 34 Cb 1.32 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2aa4 h ALA 34 CO 0.67 0.66 0.94 -1.54 0.00 0.00 0.00 179.25 179.98 2aa4 s SER 35 N -6.74 6.72 -1.40 0.00 1.04 -1.26 -4.93 113.70 107.13 2aa4 s SER 35 Ca -0.11 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 57.36 2aa4 s SER 35 Cb 0.12 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.77 2aa4 s SER 35 CO 0.87 -1.05 2.39 0.00 0.98 0.00 0.00 173.24 176.43 2aa4 n GLN 36 N 7.26 3.99 -4.20 4.02 6.02 -1.26 -4.73 117.38 128.48 2aa4 n GLN 36 Ca 0.14 -3.10 -0.30 0.00 -0.01 0.00 0.00 57.00 53.73 2aa4 n GLN 36 Cb 0.47 -2.81 -0.09 0.00 1.02 0.00 0.00 30.24 28.83 2aa4 n GLN 36 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2aa4 s THR 37 N 0.41 3.59 0.48 5.09 -4.23 -1.26 -1.12 115.64 118.59 2aa4 s THR 37 Ca 0.54 -1.17 0.15 0.00 -1.18 0.00 0.00 61.69 60.03 2aa4 s THR 37 Cb 0.16 -2.68 0.23 0.00 1.34 0.00 0.00 72.50 71.54 2aa4 s THR 37 CO -0.06 0.12 2.07 -0.65 -0.54 0.00 0.00 174.62 175.56 2aa4 h PRO 38 N 3.58 0.04 -0.33 3.99 0.11 -1.92 -2.46 132.00 135.00 2aa4 h PRO 38 Ca -0.48 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2aa4 h PRO 38 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2aa4 h PRO 38 CO 0.55 0.11 -0.21 0.93 -0.21 0.00 0.00 178.00 179.17 2aa4 h GLU 39 N 0.04 0.73 -0.40 1.05 3.07 -1.96 -2.20 114.58 114.91 2aa4 h GLU 39 Ca 0.01 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.41 2aa4 h GLU 39 Cb 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2aa4 h GLU 39 CO 0.01 0.95 -0.23 0.00 -1.40 0.00 0.00 179.01 178.34 2aa4 h ALA 40 N 0.76 0.85 -0.19 3.43 0.00 -1.77 -1.26 119.26 121.07 2aa4 h ALA 40 Ca 0.07 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2aa4 h ALA 40 Cb 0.76 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2aa4 h ALA 40 CO 0.06 0.64 -0.61 1.25 0.00 0.00 0.00 179.25 180.59 2aa4 h LEU 41 N 0.70 0.87 -1.30 0.00 5.85 -1.50 -1.49 115.31 118.44 2aa4 h LEU 41 Ca 0.09 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2aa4 h LEU 41 Cb 0.75 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2aa4 h LEU 41 CO 0.06 1.31 0.27 -0.09 -0.34 0.00 0.00 178.44 179.65 2aa4 h ARG 42 N 0.47 0.75 -0.21 1.25 2.43 -1.31 0.86 114.38 118.62 2aa4 h ARG 42 Ca -0.02 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2aa4 h ARG 42 Cb 1.23 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2aa4 h ARG 42 CO 0.13 0.58 0.07 -0.44 -1.51 0.00 0.00 179.97 178.79 2aa4 h ASP 43 N 0.76 0.31 0.61 -3.80 5.19 -1.14 -2.26 116.42 116.08 2aa4 h ASP 43 Ca 0.19 -0.21 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 2aa4 h ASP 43 Cb 0.06 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2aa4 h ASP 43 CO -0.03 0.43 -0.60 0.00 -3.12 0.00 0.00 179.24 175.93 2aa4 h ALA 44 N 0.89 1.00 0.00 3.45 0.00 -0.70 -1.50 119.26 122.39 2aa4 h ALA 44 Ca 0.07 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 2aa4 h ALA 44 Cb 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.95 2aa4 h ALA 44 CO -0.00 0.75 -0.93 -0.07 0.00 0.00 0.00 179.25 179.00 2aa4 h LEU 45 N 0.00 0.81 -0.75 0.00 3.38 -0.89 -1.94 115.31 115.92 2aa4 h LEU 45 Ca -0.01 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2aa4 h LEU 45 Cb 1.07 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2aa4 h LEU 45 CO 0.08 1.45 0.48 -1.28 0.09 0.00 0.00 178.44 179.26 2aa4 h SER 46 N 0.25 0.88 -0.13 -0.43 0.87 -1.34 -1.82 113.55 111.83 2aa4 h SER 46 Ca -0.12 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 2aa4 h SER 46 Cb 1.60 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2aa4 h SER 46 CO 0.18 0.65 -0.33 0.00 -0.53 0.00 0.00 176.83 176.81 2aa4 h ALA 47 N 1.26 0.88 -0.34 6.23 0.00 -1.31 -2.30 119.26 123.69 2aa4 h ALA 47 Ca 0.27 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2aa4 h ALA 47 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2aa4 h ALA 47 CO -0.06 0.63 -0.23 1.25 0.00 0.00 0.00 179.25 180.85 2aa4 h LEU 48 N 0.53 0.78 -0.21 0.00 5.85 -1.08 -3.33 115.31 117.85 2aa4 h LEU 48 Ca 0.06 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2aa4 h LEU 48 Cb 0.82 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2aa4 h LEU 48 CO 0.07 1.05 -0.78 1.33 -0.34 0.00 0.00 178.44 179.77 2aa4 n VAL 49 N -4.27 0.00 -0.10 1.05 0.24 -0.71 -4.58 118.33 109.96 2aa4 n VAL 49 Ca -0.03 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 2aa4 n VAL 49 Cb 0.44 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.63 2aa4 n VAL 49 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2aa4 h SER 50 N 0.51 -1.19 0.24 -1.34 4.64 -1.53 -0.00 113.55 114.88 2aa4 h SER 50 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2aa4 h SER 50 Cb 0.55 0.49 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2aa4 h SER 50 CO 0.00 -0.25 0.00 -2.65 -0.87 0.00 0.00 176.83 173.06 2aa4 n PRO 51 N -4.38 0.28 -0.04 4.77 -0.02 -1.26 -2.52 135.00 131.83 2aa4 n PRO 51 Ca -0.02 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.55 2aa4 n PRO 51 Cb 0.21 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 2aa4 n PRO 51 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aa4 n LEU 52 N -1.23 0.00 0.28 2.45 4.77 -0.64 -4.78 117.00 117.85 2aa4 n LEU 52 Ca 0.08 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.22 2aa4 n LEU 52 Cb 0.11 0.19 0.81 0.00 -2.33 0.00 0.00 43.42 42.20 2aa4 n LEU 52 CO 0.11 0.19 1.02 0.06 -1.33 0.00 0.00 177.39 177.44 2aa4 h GLN 53 N 0.00 0.00 0.00 3.23 3.07 -0.73 -1.21 115.11 119.47 2aa4 h GLN 53 Ca -0.20 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.51 2aa4 h GLN 53 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.88 2aa4 h GLN 53 CO 0.01 0.07 -0.13 0.00 0.09 0.00 0.00 178.83 178.87 2aa4 h ALA 54 N 1.93 0.94 -0.28 0.06 0.00 -1.86 -3.20 119.26 116.85 2aa4 h ALA 54 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2aa4 h ALA 54 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2aa4 h ALA 54 CO 0.01 0.16 0.00 0.72 0.00 0.00 0.00 179.25 180.14 2aa4 n HIS 55 N -3.16 0.36 -4.40 0.00 8.25 -0.46 -4.93 115.22 110.88 2aa4 n HIS 55 Ca 0.02 -0.18 -0.21 0.00 -0.26 0.00 0.00 57.72 57.10 2aa4 n HIS 55 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 2aa4 n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aa4 s ALA 56 N -1.64 2.32 0.00 -1.41 0.00 -1.21 -4.67 121.76 115.15 2aa4 s ALA 56 Ca 0.34 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2aa4 s ALA 56 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2aa4 s ALA 56 CO 0.27 0.13 0.24 1.04 0.00 0.00 0.00 175.76 177.44 2aa4 n GLN 57 N -0.49 2.78 -3.48 0.00 3.00 -0.26 -4.97 117.38 113.97 2aa4 n GLN 57 Ca -0.07 -0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 56.53 2aa4 n GLN 57 Cb 0.61 -0.73 -0.04 0.00 0.00 0.00 0.00 30.24 30.08 2aa4 n GLN 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2aa4 s ARG 58 N -0.47 1.14 -0.02 -1.09 1.70 -1.23 -4.40 118.95 114.58 2aa4 s ARG 58 Ca 0.00 -0.07 0.05 0.00 -0.47 0.00 0.00 55.73 55.24 2aa4 s ARG 58 Cb 0.00 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 2aa4 s ARG 58 CO 0.00 -0.43 -0.18 0.08 -1.08 0.00 0.00 175.30 173.70 2aa4 s VAL 59 N -2.34 2.79 -0.05 4.99 1.01 0.46 -0.70 120.40 126.55 2aa4 s VAL 59 Ca -0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2aa4 s VAL 59 Cb -0.00 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2aa4 s VAL 59 CO -0.01 0.54 0.03 0.00 0.00 0.00 0.00 175.10 175.66 2aa4 s ALA 60 N -0.74 0.42 -0.19 5.51 0.00 0.07 -1.78 121.76 125.04 2aa4 s ALA 60 Ca 0.12 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 2aa4 s ALA 60 Cb -0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2aa4 s ALA 60 CO 0.01 -0.45 -0.00 0.42 0.00 0.00 0.00 175.76 175.74 2aa4 s ILE 61 N 2.00 4.02 -0.24 0.00 1.01 -0.24 -0.36 121.20 127.39 2aa4 s ILE 61 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 2aa4 s ILE 61 Cb -0.12 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2aa4 s ILE 61 CO -0.04 0.44 0.27 0.00 0.00 0.00 0.00 174.94 175.62 2aa4 s ALA 62 N 0.81 3.57 0.00 9.38 0.00 0.20 -1.09 121.76 134.64 2aa4 s ALA 62 Ca 0.00 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.23 2aa4 s ALA 62 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2aa4 s ALA 62 CO 0.02 -0.37 -0.22 0.45 0.00 0.00 0.00 175.76 175.64 2aa4 s SER 63 N 1.28 2.54 0.67 0.00 0.15 0.03 0.07 113.70 118.45 2aa4 s SER 63 Ca 0.12 -0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.19 2aa4 s SER 63 Cb -0.15 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 2aa4 s SER 63 CO 0.08 0.24 1.15 0.28 1.20 0.00 0.00 173.24 176.18 2aa4 s THR 64 N -0.58 2.91 0.00 6.45 -1.32 -0.36 0.25 115.64 123.00 2aa4 s THR 64 Ca 0.08 0.45 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 2aa4 s THR 64 Cb -0.08 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 2aa4 s THR 64 CO -0.00 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2aa4 n GLY 65 N -0.14 -0.72 3.16 6.08 0.00 -1.26 -4.90 105.19 107.41 2aa4 n GLY 65 Ca 0.12 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 2aa4 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aa4 s ILE 66 N 0.00 1.61 -0.33 -0.61 1.01 0.15 -4.75 121.20 118.28 2aa4 s ILE 66 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 2aa4 s ILE 66 Cb 0.00 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 2aa4 s ILE 66 CO 0.00 0.46 0.18 -0.63 0.00 0.00 0.00 174.94 174.95 2aa4 s ILE 67 N 0.07 4.73 -0.10 2.92 -1.09 -1.26 0.50 121.20 126.97 2aa4 s ILE 67 Ca -0.06 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2aa4 s ILE 67 Cb -0.13 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2aa4 s ILE 67 CO 0.03 0.01 -0.12 -0.60 -1.23 0.00 0.00 174.94 173.03 2aa4 s ARG 68 N 1.63 1.87 -1.42 2.79 3.52 -0.19 -3.69 118.95 123.46 2aa4 s ARG 68 Ca 0.05 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.18 2aa4 s ARG 68 Cb -0.17 -1.66 0.03 0.00 -1.56 0.00 0.00 34.95 31.59 2aa4 s ARG 68 CO 0.07 -0.09 0.62 -0.25 -0.81 0.00 0.00 175.30 174.84 2aa4 n ASP 69 N 4.27 -1.44 -0.54 -2.12 8.00 -1.26 -0.89 116.55 122.57 2aa4 n ASP 69 Ca -0.19 -0.92 -0.07 0.00 0.71 0.00 0.00 54.79 54.32 2aa4 n ASP 69 Cb 0.51 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.12 2aa4 n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aa4 n GLY 70 N -1.76 0.74 3.38 0.44 0.00 -1.26 -4.96 105.19 101.76 2aa4 n GLY 70 Ca -0.23 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 2aa4 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aa4 s SER 71 N -2.32 3.05 -0.20 1.61 0.01 -0.07 -1.65 113.70 114.14 2aa4 s SER 71 Ca 0.00 -0.88 -0.25 0.00 1.31 0.00 0.00 55.95 56.13 2aa4 s SER 71 Cb 0.00 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2aa4 s SER 71 CO 0.00 0.03 0.85 -0.22 0.41 0.00 0.00 173.24 174.32 2aa4 s LEU 72 N -2.74 4.13 0.28 2.44 2.96 -0.63 -1.02 118.68 124.11 2aa4 s LEU 72 Ca 0.19 1.15 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 2aa4 s LEU 72 Cb -0.07 -3.25 -0.06 0.00 0.50 0.00 0.00 46.19 43.32 2aa4 s LEU 72 CO 0.09 -0.47 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.88 2aa4 s LEU 73 N 2.49 2.33 0.07 -0.68 1.02 0.18 -0.65 118.68 123.45 2aa4 s LEU 73 Ca 0.38 -1.26 -0.06 0.00 0.02 0.00 0.00 54.13 53.21 2aa4 s LEU 73 Cb -0.16 -0.48 -0.01 0.00 0.02 0.00 0.00 46.19 45.56 2aa4 s LEU 73 CO 0.10 -0.46 0.12 0.00 0.02 0.00 0.00 176.35 176.12 2aa4 s ALA 74 N -3.19 0.01 0.27 4.21 0.00 -1.26 0.30 121.76 122.11 2aa4 s ALA 74 Ca 0.31 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2aa4 s ALA 74 Cb 0.06 0.40 0.38 0.00 0.00 0.00 0.00 23.12 23.96 2aa4 s ALA 74 CO 0.12 -0.45 1.65 -0.07 0.00 0.00 0.00 175.76 177.01 2aa4 h LEU 75 N 2.93 0.28 -7.65 0.00 3.38 -1.95 -3.29 115.31 109.01 2aa4 h LEU 75 Ca -0.34 -0.13 -0.71 0.00 0.09 0.00 0.00 57.88 56.79 2aa4 h LEU 75 Cb 1.18 -0.08 -0.34 0.00 0.09 0.00 0.00 40.66 41.51 2aa4 h LEU 75 CO 0.59 0.71 -0.34 0.21 0.09 0.00 0.00 178.44 179.69 2aa4 s ASN 76 N -6.88 5.42 0.61 -0.43 2.47 -1.26 -4.82 114.94 110.05 2aa4 s ASN 76 Ca -0.05 -2.68 0.32 0.00 0.42 0.00 0.00 52.86 50.88 2aa4 s ASN 76 Cb 0.13 -1.90 1.85 0.00 -1.45 0.00 0.00 41.25 39.88 2aa4 s ASN 76 CO 0.78 -0.43 2.18 -0.65 -3.72 0.00 0.00 177.10 175.26 2aa4 h PRO 77 N 7.32 0.00 0.00 0.43 0.11 -1.97 -1.34 132.00 136.54 2aa4 h PRO 77 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2aa4 h PRO 77 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2aa4 h PRO 77 CO 0.73 0.00 -0.04 0.45 -0.21 0.00 0.00 178.00 178.92 2aa4 h HIS 78 N 0.00 0.00 0.00 0.65 3.86 -1.93 -2.96 115.15 114.77 2aa4 h HIS 78 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2aa4 h HIS 78 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2aa4 h HIS 78 CO 0.00 0.04 0.00 0.09 0.86 0.00 0.00 177.93 178.92 2aa4 n ASN 79 N -3.17 0.40 0.04 2.45 3.02 -0.51 -3.39 115.26 114.10 2aa4 n ASN 79 Ca 0.00 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.24 2aa4 n ASN 79 Cb 0.31 -0.66 0.13 0.00 -0.61 0.00 0.00 39.78 38.94 2aa4 n ASN 79 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2aa4 n LEU 80 N -1.91 0.64 0.00 3.41 4.77 -1.12 -5.03 117.00 117.77 2aa4 n LEU 80 Ca 0.04 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2aa4 n LEU 80 Cb 0.29 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2aa4 n LEU 80 CO 0.22 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2aa4 n GLY 81 N 1.38 2.48 1.05 -0.72 0.00 -1.22 -1.54 105.19 106.62 2aa4 n GLY 81 Ca 0.03 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2aa4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa4 n GLY 82 N 0.00 1.65 0.93 -0.02 0.00 -0.28 -4.20 105.19 103.28 2aa4 n GLY 82 Ca 0.00 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.50 2aa4 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aa4 n LEU 83 N 1.18 2.79 -4.70 0.99 4.77 -0.59 -4.25 117.00 117.20 2aa4 n LEU 83 Ca 0.19 -1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 2aa4 n LEU 83 Cb 0.49 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2aa4 n LEU 83 CO 0.13 0.60 1.27 -0.22 -1.33 0.00 0.00 177.39 177.85 2aa4 s LEU 84 N -1.48 4.36 -1.71 2.23 2.96 -1.26 -1.70 118.68 122.07 2aa4 s LEU 84 Ca 0.36 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2aa4 s LEU 84 Cb 0.21 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.33 2aa4 s LEU 84 CO 0.29 -0.84 0.00 1.41 -1.32 0.00 0.00 176.35 175.89 2aa4 n HIS 85 N 5.21 -0.46 -1.68 5.38 8.25 0.17 -4.97 115.22 127.13 2aa4 n HIS 85 Ca 0.15 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.16 2aa4 n HIS 85 Cb 0.41 -3.34 -0.04 0.00 1.12 0.00 0.00 29.99 28.14 2aa4 n HIS 85 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2aa4 n PHE 86 N -3.30 2.44 -1.71 4.41 7.35 -0.69 -4.62 117.46 121.34 2aa4 n PHE 86 Ca -0.20 -0.07 -0.39 0.00 -0.76 0.00 0.00 57.45 56.03 2aa4 n PHE 86 Cb 0.63 -2.69 -0.04 0.00 0.35 0.00 0.00 39.48 37.73 2aa4 n PHE 86 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2aa4 n PRO 87 N 5.97 2.05 -0.15 -7.13 -0.04 -1.26 -1.60 135.00 132.83 2aa4 n PRO 87 Ca 0.20 -2.36 -0.08 0.00 -0.04 0.00 0.00 63.50 61.21 2aa4 n PRO 87 Cb 0.34 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 2aa4 n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2aa4 h LEU 88 N 13.85 0.55 -0.29 1.53 5.85 -1.71 0.12 115.31 135.21 2aa4 h LEU 88 Ca 0.41 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 2aa4 h LEU 88 Cb 0.76 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2aa4 h LEU 88 CO 1.69 0.48 -0.20 0.58 -0.34 0.00 0.00 178.44 180.65 2aa4 h VAL 89 N 0.57 1.30 -0.76 1.05 2.07 -1.62 -2.95 116.25 115.91 2aa4 h VAL 89 Ca 0.15 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 2aa4 h VAL 89 Cb 0.06 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2aa4 h VAL 89 CO -0.02 0.43 0.25 0.50 0.02 0.00 0.00 177.57 178.74 2aa4 h LYS 90 N 0.40 1.18 0.16 1.57 3.64 -1.77 -1.61 116.57 120.14 2aa4 h LYS 90 Ca 0.06 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2aa4 h LYS 90 Cb 0.75 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2aa4 h LYS 90 CO 0.06 0.99 -0.21 1.15 -2.27 0.00 0.00 179.45 179.17 2aa4 h THR 91 N 1.13 0.54 -0.70 1.00 2.02 -0.97 -0.42 112.91 115.51 2aa4 h THR 91 Ca 0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2aa4 h THR 91 Cb 0.30 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2aa4 h THR 91 CO -0.01 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 176.14 2aa4 h LEU 92 N -0.42 0.92 -1.88 2.58 3.38 -1.47 0.07 115.31 118.49 2aa4 h LEU 92 Ca 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2aa4 h LEU 92 Cb 0.42 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2aa4 h LEU 92 CO -0.08 0.80 -0.08 -0.33 0.09 0.00 0.00 178.44 178.83 2aa4 h GLU 93 N 0.98 0.00 0.22 1.13 5.08 -1.03 0.14 114.58 121.11 2aa4 h GLU 93 Ca 0.24 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.27 2aa4 h GLU 93 Cb 0.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.41 2aa4 h GLU 93 CO -0.03 0.08 -1.42 1.96 -1.00 0.00 0.00 179.01 178.60 2aa4 h GLN 94 N 0.00 0.51 0.00 2.33 4.20 -0.46 -2.43 115.11 119.26 2aa4 h GLN 94 Ca -0.00 -0.85 -0.15 0.00 0.06 0.00 0.00 58.65 57.71 2aa4 h GLN 94 Cb 0.15 0.31 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2aa4 h GLN 94 CO 0.01 1.41 -0.70 -0.07 -0.67 0.00 0.00 178.83 178.81 2aa4 h LEU 95 N 0.15 0.00 0.00 1.46 3.38 -0.31 -3.37 115.31 116.62 2aa4 h LEU 95 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2aa4 h LEU 95 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 2aa4 h LEU 95 CO 0.26 0.70 -0.80 0.35 0.09 0.00 0.00 178.44 179.04 2aa4 n THR 96 N -3.67 0.00 -2.01 0.22 -2.24 0.43 -5.01 114.28 102.01 2aa4 n THR 96 Ca -0.01 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 2aa4 n THR 96 Cb 0.69 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.48 2aa4 n THR 96 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2aa4 n ASN 97 N -1.40 -5.42 -4.42 3.42 2.85 -0.92 -5.00 115.26 104.38 2aa4 n ASN 97 Ca 0.00 0.20 -0.32 0.00 -0.11 0.00 0.00 54.58 54.34 2aa4 n ASN 97 Cb 0.00 -4.52 -0.14 0.00 1.24 0.00 0.00 39.78 36.36 2aa4 n ASN 97 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2aa4 s LEU 98 N -4.99 2.56 0.12 1.20 1.43 -1.26 -5.07 118.68 112.68 2aa4 s LEU 98 Ca 0.00 -0.28 -0.35 0.00 -1.03 0.00 0.00 54.13 52.47 2aa4 s LEU 98 Cb 0.00 -1.51 -0.16 0.00 0.03 0.00 0.00 46.19 44.56 2aa4 s LEU 98 CO 0.00 0.32 1.39 -0.81 0.23 0.00 0.00 176.35 177.48 2aa4 n PRO 99 N 2.47 1.48 -4.52 1.29 -0.04 -1.26 -4.39 135.00 130.02 2aa4 n PRO 99 Ca -0.17 0.53 -0.22 0.00 -0.04 0.00 0.00 63.50 63.60 2aa4 n PRO 99 Cb 0.52 -2.19 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 2aa4 n PRO 99 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2aa4 s THR 100 N 0.50 0.97 0.25 0.52 2.01 -1.26 -0.40 115.64 118.23 2aa4 s THR 100 Ca 0.81 -0.47 0.12 0.00 0.31 0.00 0.00 61.69 62.45 2aa4 s THR 100 Cb -0.85 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2aa4 s THR 100 CO 0.45 0.29 -0.21 0.27 -0.69 0.00 0.00 174.62 174.73 2aa4 s ILE 101 N 0.10 2.44 -0.02 1.82 -4.36 -0.73 -4.98 121.20 115.48 2aa4 s ILE 101 Ca -0.02 -2.27 -0.01 0.00 -0.26 0.00 0.00 60.65 58.09 2aa4 s ILE 101 Cb -0.09 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.39 2aa4 s ILE 101 CO 0.01 -0.30 0.04 0.00 0.24 0.00 0.00 174.94 174.93 2aa4 s ALA 102 N -2.21 -0.05 0.05 2.27 0.00 -1.26 -1.08 121.76 119.47 2aa4 s ALA 102 Ca 0.27 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 2aa4 s ALA 102 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2aa4 s ALA 102 CO 0.13 -0.05 -0.03 0.96 0.00 0.00 0.00 175.76 176.77 2aa4 s ILE 103 N 0.41 0.22 0.40 0.00 -5.25 -0.25 -4.93 121.20 111.80 2aa4 s ILE 103 Ca -0.03 -1.63 -0.27 0.00 -0.99 0.00 0.00 60.65 57.73 2aa4 s ILE 103 Cb -0.05 -1.27 -0.10 0.00 2.95 0.00 0.00 42.46 43.99 2aa4 s ILE 103 CO -0.01 -0.89 1.38 -3.20 -1.79 0.00 0.00 174.94 170.42 2aa4 n ASN 104 N 0.41 3.16 0.08 4.36 2.85 -1.26 -0.79 115.26 124.08 2aa4 n ASN 104 Ca -0.16 1.17 0.04 0.00 -0.11 0.00 0.00 54.58 55.52 2aa4 n ASN 104 Cb 0.60 -1.56 0.44 0.00 1.24 0.00 0.00 39.78 40.50 2aa4 n ASN 104 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2aa4 h ASP 105 N 2.50 0.32 1.06 1.20 2.03 -0.49 -0.16 116.42 122.88 2aa4 h ASP 105 Ca -0.49 -0.03 -0.14 0.00 -0.73 0.00 0.00 57.03 55.64 2aa4 h ASP 105 Cb 1.27 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 2aa4 h ASP 105 CO 0.62 0.31 -0.68 0.00 -1.03 0.00 0.00 179.24 178.46 2aa4 h ALA 106 N 1.74 0.66 -0.22 4.15 0.00 -1.84 -1.21 119.26 122.54 2aa4 h ALA 106 Ca 0.09 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2aa4 h ALA 106 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2aa4 h ALA 106 CO -0.01 0.85 -0.42 1.96 0.00 0.00 0.00 179.25 181.63 2aa4 h GLN 107 N 0.00 0.68 -0.08 0.00 4.20 -1.52 -1.84 115.11 116.54 2aa4 h GLN 107 Ca -0.01 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2aa4 h GLN 107 Cb 1.40 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.22 2aa4 h GLN 107 CO 0.09 1.05 0.05 0.00 -0.67 0.00 0.00 178.83 179.35 2aa4 h ALA 108 N 0.62 0.10 -0.58 3.87 0.00 -1.03 -2.48 119.26 119.76 2aa4 h ALA 108 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2aa4 h ALA 108 Cb 1.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2aa4 h ALA 108 CO 0.09 -0.41 0.32 0.00 0.00 0.00 0.00 179.25 179.25 2aa4 h ALA 109 N 1.03 1.47 -0.53 0.00 0.00 -1.24 -2.57 119.26 117.42 2aa4 h ALA 109 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2aa4 h ALA 109 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2aa4 h ALA 109 CO -0.01 0.44 0.33 0.00 0.00 0.00 0.00 179.25 180.01 2aa4 h ALA 110 N 1.55 0.67 -0.53 0.00 0.00 -1.08 -1.46 119.26 118.40 2aa4 h ALA 110 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2aa4 h ALA 110 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2aa4 h ALA 110 CO -0.03 0.14 0.23 2.35 0.00 0.00 0.00 179.25 181.94 2aa4 h TRP 111 N 0.71 0.79 -0.71 0.00 2.91 -1.07 -0.55 115.95 118.03 2aa4 h TRP 111 Ca 0.19 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.19 2aa4 h TRP 111 Cb -0.05 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.32 2aa4 h TRP 111 CO -0.03 0.63 0.45 0.00 -1.03 0.00 0.00 178.44 178.46 2aa4 h ALA 112 N 1.08 0.92 -0.28 2.65 0.00 -1.29 -1.19 119.26 121.15 2aa4 h ALA 112 Ca 0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2aa4 h ALA 112 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2aa4 h ALA 112 CO -0.02 0.25 -0.36 0.93 0.00 0.00 0.00 179.25 180.06 2aa4 h GLU 113 N 0.90 0.62 -0.50 0.00 4.39 -1.00 -2.37 114.58 116.63 2aa4 h GLU 113 Ca 0.28 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2aa4 h GLU 113 Cb -0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2aa4 h GLU 113 CO -0.09 0.89 0.04 0.35 -1.16 0.00 0.00 179.01 179.03 2aa4 h PHE 114 N 0.52 0.92 0.00 4.33 3.57 -0.80 -2.69 116.94 122.79 2aa4 h PHE 114 Ca 0.05 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 2aa4 h PHE 114 Cb 0.86 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2aa4 h PHE 114 CO 0.04 0.85 -0.16 1.96 -2.23 0.00 0.00 178.31 178.77 2aa4 h GLN 115 N 0.72 0.00 0.00 1.11 1.08 -1.15 -2.05 115.11 114.82 2aa4 h GLN 115 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2aa4 h GLN 115 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2aa4 h GLN 115 CO 0.02 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.06 2aa4 n ALA 116 N -2.20 2.21 -1.90 3.87 0.00 -0.90 -4.87 120.51 116.72 2aa4 n ALA 116 Ca -0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2aa4 n ALA 116 Cb 0.37 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.45 2aa4 n ALA 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aa4 s LEU 117 N -4.19 2.56 0.70 0.00 1.43 -0.77 -5.06 118.68 113.35 2aa4 s LEU 117 Ca 0.11 0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 2aa4 s LEU 117 Cb 0.13 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 43.04 2aa4 s LEU 117 CO 0.55 -1.83 1.13 -1.81 0.23 0.00 0.00 176.35 174.63 2aa4 s ASP 118 N -4.55 4.71 0.38 2.29 1.11 -1.26 -4.93 116.67 114.41 2aa4 s ASP 118 Ca 0.61 2.08 0.27 0.00 0.18 0.00 0.00 52.55 55.70 2aa4 s ASP 118 Cb -0.11 -2.56 1.27 0.00 1.07 0.00 0.00 42.92 42.59 2aa4 s ASP 118 CO 0.49 -1.90 1.83 1.23 1.18 0.00 0.00 175.17 177.99 2aa4 h GLY 119 N -0.26 0.00 1.85 0.21 0.00 -1.96 -3.11 103.07 99.81 2aa4 h GLY 119 Ca -0.46 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.68 2aa4 h GLY 119 CO 0.52 0.00 -0.85 1.29 0.00 0.00 0.00 176.54 177.51 2aa4 h ASP 120 N 0.00 0.17 -2.65 0.19 2.03 -2.01 -3.44 116.42 110.72 2aa4 h ASP 120 Ca 0.00 -0.14 -0.54 0.00 -0.73 0.00 0.00 57.03 55.62 2aa4 h ASP 120 Cb 0.26 -0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.72 2aa4 h ASP 120 CO 0.00 0.94 1.04 -0.63 -1.03 0.00 0.00 179.24 179.56 2aa4 s ILE 121 N -3.21 3.33 -0.13 4.15 -1.09 -1.18 -4.88 121.20 118.20 2aa4 s ILE 121 Ca -0.02 0.60 0.14 0.00 -2.23 0.00 0.00 60.65 59.14 2aa4 s ILE 121 Cb 0.11 -3.39 -0.19 0.00 -1.58 0.00 0.00 42.46 37.41 2aa4 s ILE 121 CO 0.81 -0.03 0.10 0.35 -1.23 0.00 0.00 174.94 174.95 2aa4 n THR 122 N 5.11 0.85 -3.94 2.92 -2.24 -1.26 -4.88 114.28 110.83 2aa4 n THR 122 Ca 0.17 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 2aa4 n THR 122 Cb 0.42 -0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.00 2aa4 n THR 122 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2aa4 s ASP 123 N -4.66 2.59 -0.01 3.42 1.01 -1.26 -1.07 116.67 116.69 2aa4 s ASP 123 Ca -0.07 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 52.67 2aa4 s ASP 123 Cb 0.05 -0.99 0.00 0.00 1.01 0.00 0.00 42.92 42.99 2aa4 s ASP 123 CO 0.62 -0.12 0.06 -0.32 0.21 0.00 0.00 175.17 175.62 2aa4 s MET 124 N 1.60 0.20 -0.07 8.23 1.75 -0.61 -0.38 119.30 130.02 2aa4 s MET 124 Ca 0.03 -0.14 0.04 0.00 -1.25 0.00 0.00 55.69 54.37 2aa4 s MET 124 Cb -0.14 0.08 -0.02 0.00 2.84 0.00 0.00 34.83 37.60 2aa4 s MET 124 CO -0.09 -0.04 -0.18 0.08 -0.65 0.00 0.00 175.02 174.14 2aa4 s VAL 125 N -0.53 2.67 -0.11 10.11 1.01 -0.93 -0.59 120.40 132.03 2aa4 s VAL 125 Ca -0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2aa4 s VAL 125 Cb -0.04 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2aa4 s VAL 125 CO 0.00 0.57 -0.03 0.12 0.00 0.00 0.00 175.10 175.76 2aa4 s PHE 126 N -0.28 3.05 -0.10 5.22 5.36 0.18 -1.21 117.98 130.18 2aa4 s PHE 126 Ca 0.01 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 55.95 2aa4 s PHE 126 Cb -0.13 -1.84 0.01 0.00 -0.34 0.00 0.00 43.02 40.72 2aa4 s PHE 126 CO 0.03 0.22 -0.16 0.42 -1.46 0.00 0.00 175.22 174.27 2aa4 s ILE 127 N -0.33 1.51 -0.18 3.12 1.01 0.29 -1.15 121.20 125.46 2aa4 s ILE 127 Ca 0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2aa4 s ILE 127 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2aa4 s ILE 127 CO 0.02 0.44 -0.02 0.28 0.00 0.00 0.00 174.94 175.66 2aa4 s THR 128 N 0.89 3.87 -0.28 2.92 -1.32 0.26 -0.15 115.64 121.83 2aa4 s THR 128 Ca -0.09 -0.35 -0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2aa4 s THR 128 Cb -0.15 -2.73 0.05 0.00 -1.51 0.00 0.00 72.50 68.16 2aa4 s THR 128 CO -0.00 0.45 -0.05 -0.69 -2.21 0.00 0.00 174.62 172.12 2aa4 s VAL 129 N 0.80 2.72 0.00 5.08 1.01 0.06 -1.24 120.40 128.83 2aa4 s VAL 129 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2aa4 s VAL 129 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2aa4 s VAL 129 CO 0.02 -0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.87 2aa4 n SER 130 N 4.58 0.00 -0.19 3.32 2.88 -1.26 -0.97 113.62 121.97 2aa4 n SER 130 Ca -0.14 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.37 2aa4 n SER 130 Cb 0.44 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.07 2aa4 n SER 130 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2aa4 h THR 131 N 0.00 1.23 -4.15 2.46 1.35 -1.95 0.30 112.91 112.15 2aa4 h THR 131 Ca 0.00 -0.70 -0.10 0.00 -0.55 0.00 0.00 66.41 65.06 2aa4 h THR 131 Cb 0.00 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 66.83 2aa4 h THR 131 CO 0.00 0.28 -0.08 0.61 -0.25 0.00 0.00 175.52 176.09 2aa4 n GLY 132 N -1.01 4.10 3.08 5.82 0.00 -1.26 -3.03 105.19 112.89 2aa4 n GLY 132 Ca 0.06 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 2aa4 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aa4 s VAL 133 N -1.30 1.89 0.28 1.61 1.01 -1.26 -4.36 120.40 118.27 2aa4 s VAL 133 Ca 0.00 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.24 2aa4 s VAL 133 Cb 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2aa4 s VAL 133 CO 0.00 0.49 -0.17 -0.83 0.00 0.00 0.00 175.10 174.59 2aa4 s GLY 134 N 1.35 1.86 0.24 4.51 0.00 -0.37 -3.95 107.32 110.96 2aa4 s GLY 134 Ca 0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 2aa4 s GLY 134 CO -0.12 -1.94 0.29 -0.32 0.00 0.00 0.00 173.10 171.00 2aa4 s GLY 135 N -3.49 1.22 -0.17 0.20 0.00 -1.05 -0.57 107.32 103.45 2aa4 s GLY 135 Ca 0.29 -1.45 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 2aa4 s GLY 135 CO 0.14 -1.12 0.46 -0.32 0.00 0.00 0.00 173.10 172.26 2aa4 s GLY 136 N -3.14 -0.34 -0.19 0.20 0.00 -0.30 -3.87 107.32 99.69 2aa4 s GLY 136 Ca 0.33 1.28 -0.01 0.00 0.00 0.00 0.00 44.72 46.32 2aa4 s GLY 136 CO 0.13 1.10 -0.13 0.14 0.00 0.00 0.00 173.10 174.35 2aa4 s VAL 137 N 0.21 2.75 -0.21 1.40 1.01 -1.26 -0.65 120.40 123.65 2aa4 s VAL 137 Ca -0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2aa4 s VAL 137 Cb -0.03 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2aa4 s VAL 137 CO 0.01 0.49 0.00 -0.69 0.00 0.00 0.00 175.10 174.91 2aa4 s VAL 138 N 1.19 3.92 -0.09 2.92 1.01 0.24 -0.14 120.40 129.45 2aa4 s VAL 138 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2aa4 s VAL 138 Cb -0.14 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2aa4 s VAL 138 CO -0.05 0.42 -0.11 -0.44 0.00 0.00 0.00 175.10 174.91 2aa4 s SER 139 N 1.13 1.99 -1.39 3.32 0.01 -0.03 -1.57 113.70 117.16 2aa4 s SER 139 Ca 0.03 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 2aa4 s SER 139 Cb -0.14 -0.87 0.03 0.00 0.21 0.00 0.00 66.02 65.25 2aa4 s SER 139 CO 0.01 -0.02 0.94 0.61 0.41 0.00 0.00 173.24 175.20 2aa4 n GLY 140 N 4.22 -0.43 2.52 3.44 0.00 -1.01 -1.65 105.19 112.28 2aa4 n GLY 140 Ca -0.19 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2aa4 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 s LYS 142 N -3.95 2.26 0.09 0.00 1.02 -0.66 -5.11 119.74 113.39 2aa4 s LYS 142 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.09 2aa4 s LYS 142 Cb 0.00 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.39 2aa4 s LYS 142 CO 0.00 0.02 1.43 -1.17 -0.92 0.00 0.00 175.35 174.72 2aa4 s LEU 143 N 0.73 4.36 -0.33 3.17 2.96 -1.26 -0.85 118.68 127.45 2aa4 s LEU 143 Ca -0.12 2.31 -0.18 0.00 -0.22 0.00 0.00 54.13 55.93 2aa4 s LEU 143 Cb -0.16 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 2aa4 s LEU 143 CO 0.03 -0.70 0.50 -0.76 -1.32 0.00 0.00 176.35 174.09 2aa4 s LEU 144 N 1.57 4.30 -0.17 -0.68 1.43 0.80 -4.89 118.68 121.02 2aa4 s LEU 144 Ca 0.66 0.05 0.16 0.00 -1.03 0.00 0.00 54.13 53.96 2aa4 s LEU 144 Cb -0.36 -2.57 -0.22 0.00 0.03 0.00 0.00 46.19 43.06 2aa4 s LEU 144 CO 0.30 -0.43 0.07 0.35 0.23 0.00 0.00 176.35 176.86 2aa4 n THR 145 N 5.37 1.21 0.00 5.49 -2.24 -1.26 -4.46 114.28 118.38 2aa4 n THR 145 Ca -0.05 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2aa4 n THR 145 Cb 0.49 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2aa4 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aa4 n GLY 146 N 1.88 -1.25 0.30 3.38 0.00 -1.26 -1.96 105.19 106.27 2aa4 n GLY 146 Ca -0.29 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.37 2aa4 n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aa4 h PRO 147 N 0.00 0.14 -0.42 1.61 0.11 -1.99 -2.09 132.00 129.35 2aa4 h PRO 147 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2aa4 h PRO 147 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2aa4 h PRO 147 CO 0.00 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 2aa4 n GLY 148 N -1.54 2.04 2.04 -0.55 0.00 -1.26 -4.74 105.19 101.17 2aa4 n GLY 148 Ca 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 2aa4 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa4 n GLY 149 N 1.12 0.47 0.08 -0.02 0.00 -0.79 -4.19 105.19 101.87 2aa4 n GLY 149 Ca 0.17 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2aa4 n GLY 149 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aa4 n LEU 150 N -0.02 0.71 -4.69 0.99 7.94 -1.03 -4.42 117.00 116.48 2aa4 n LEU 150 Ca -0.00 0.22 -0.42 0.00 -1.11 0.00 0.00 56.01 54.69 2aa4 n LEU 150 Cb 0.02 -0.08 -0.00 0.00 0.53 0.00 0.00 43.42 43.89 2aa4 n LEU 150 CO 0.00 -0.11 0.86 0.00 -1.11 0.00 0.00 177.39 177.03 2aa4 n ALA 151 N -2.07 1.13 -0.70 1.96 0.00 -0.83 -2.57 120.51 117.43 2aa4 n ALA 151 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2aa4 n ALA 151 Cb 0.51 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2aa4 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aa4 n GLY 152 N 0.82 0.62 2.29 0.00 0.00 -1.26 -4.79 105.19 102.88 2aa4 n GLY 152 Ca 0.05 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2aa4 n GLY 152 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aa4 n HIS 153 N -2.70 1.87 1.04 1.61 -0.00 -1.06 -2.54 115.22 113.44 2aa4 n HIS 153 Ca 0.00 -2.61 0.12 0.00 -0.00 0.00 0.00 57.72 55.23 2aa4 n HIS 153 Cb 0.00 -2.09 0.59 0.00 -0.00 0.00 0.00 29.99 28.49 2aa4 n HIS 153 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2aa4 n ILE 154 N 2.77 0.24 0.39 1.59 -6.64 -1.26 -1.72 119.36 114.73 2aa4 n ILE 154 Ca 0.66 0.06 0.14 0.00 -1.77 0.00 0.00 62.75 61.83 2aa4 n ILE 154 Cb 0.41 -0.64 0.50 0.00 -1.44 0.00 0.00 39.64 38.47 2aa4 n ILE 154 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2aa4 h GLY 155 N 4.23 0.00 -2.76 3.28 0.00 -1.82 -3.14 103.07 102.85 2aa4 h GLY 155 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2aa4 h GLY 155 CO 0.00 0.00 -0.25 1.42 0.00 0.00 0.00 176.54 177.71 2aa4 n HIS 156 N -2.57 1.80 -3.99 5.60 8.25 -0.70 -0.38 115.22 123.24 2aa4 n HIS 156 Ca 0.02 -1.99 -0.22 0.00 -0.26 0.00 0.00 57.72 55.27 2aa4 n HIS 156 Cb 0.32 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 2aa4 n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2aa4 s THR 157 N -3.91 5.16 0.11 1.59 -4.23 -1.19 -4.92 115.64 108.25 2aa4 s THR 157 Ca 0.49 -1.00 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 2aa4 s THR 157 Cb 0.42 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.41 2aa4 s THR 157 CO 0.00 -0.30 1.32 -0.22 -0.54 0.00 0.00 174.62 174.89 2aa4 s LEU 158 N -3.84 4.38 -0.18 4.79 2.96 -1.26 -0.92 118.68 124.60 2aa4 s LEU 158 Ca 0.34 2.25 0.07 0.00 -0.22 0.00 0.00 54.13 56.57 2aa4 s LEU 158 Cb -0.09 -3.59 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 2aa4 s LEU 158 CO 0.28 -0.58 -0.07 0.00 -1.32 0.00 0.00 176.35 174.66 2aa4 n ALA 159 N 3.78 1.59 -3.33 5.97 0.00 0.64 -4.73 120.51 124.43 2aa4 n ALA 159 Ca 0.10 -0.93 0.02 0.00 0.00 0.00 0.00 53.44 52.63 2aa4 n ALA 159 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2aa4 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2aa4 s ASP 160 N -5.45 -0.97 0.26 0.00 -1.08 -0.94 -5.02 116.67 103.46 2aa4 s ASP 160 Ca -0.18 0.92 0.20 0.00 -0.52 0.00 0.00 52.55 52.97 2aa4 s ASP 160 Cb 0.06 1.94 1.00 0.00 -1.46 0.00 0.00 42.92 44.46 2aa4 s ASP 160 CO 0.54 -0.18 1.62 -0.81 0.52 0.00 0.00 175.17 176.86 2aa4 n PRO 161 N 5.34 0.14 -0.50 4.34 -0.04 -1.26 -1.21 135.00 141.81 2aa4 n PRO 161 Ca -0.07 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 2aa4 n PRO 161 Cb 0.51 -1.88 0.27 0.00 -0.04 0.00 0.00 33.50 32.36 2aa4 n PRO 161 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2aa4 n HIS 162 N -2.17 1.06 -2.18 0.54 8.25 -1.26 -4.89 115.22 114.58 2aa4 n HIS 162 Ca 0.00 -0.89 -0.17 0.00 -0.26 0.00 0.00 57.72 56.40 2aa4 n HIS 162 Cb 0.10 -0.34 0.10 0.00 1.12 0.00 0.00 29.99 30.97 2aa4 n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aa4 n GLY 163 N -0.44 -0.07 3.75 -1.41 0.00 -0.35 -5.04 105.19 101.64 2aa4 n GLY 163 Ca 0.22 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 2aa4 n GLY 163 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2aa4 s PRO 164 N -4.50 2.55 0.18 1.61 0.02 -1.26 -4.17 135.00 129.43 2aa4 s PRO 164 Ca 0.47 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.72 2aa4 s PRO 164 Cb -0.02 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 2aa4 s PRO 164 CO 0.32 -1.47 1.26 0.08 -0.33 0.00 0.00 177.00 176.85 2aa4 s VAL 165 N -2.21 3.41 0.41 3.83 1.01 -1.26 -0.33 120.40 125.25 2aa4 s VAL 165 Ca 0.70 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 2aa4 s VAL 165 Cb -0.24 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2aa4 s VAL 165 CO 0.43 0.17 0.67 0.00 0.00 0.00 0.00 175.10 176.37 2aa4 h GLY 167 N 0.61 0.00 2.00 0.00 0.00 -1.96 -1.50 103.07 102.22 2aa4 h GLY 167 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2aa4 h GLY 167 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.16 2aa4 n GLY 169 N 0.56 2.74 3.79 0.00 0.00 -0.57 -4.71 105.19 106.99 2aa4 n GLY 169 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2aa4 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aa4 s ARG 170 N -0.42 3.39 -0.24 1.61 0.52 -1.26 -4.78 118.95 117.77 2aa4 s ARG 170 Ca 0.00 1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 56.40 2aa4 s ARG 170 Cb 0.00 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 2aa4 s ARG 170 CO 0.00 -0.79 0.82 0.99 0.02 0.00 0.00 175.30 176.34 2aa4 s THR 171 N -2.04 4.85 0.00 0.02 2.01 -1.26 -0.42 115.64 118.80 2aa4 s THR 171 Ca 0.69 1.55 0.00 0.00 0.31 0.00 0.00 61.69 64.24 2aa4 s THR 171 Cb -0.20 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.20 2aa4 s THR 171 CO 0.29 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2aa4 n GLY 172 N 3.76 0.98 3.59 4.40 0.00 0.55 -4.68 105.19 113.80 2aa4 n GLY 172 Ca 0.05 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 2aa4 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 h VAL 174 N -0.86 0.51 -0.78 0.00 2.07 -0.81 -2.76 116.25 113.62 2aa4 h VAL 174 Ca -0.46 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.07 2aa4 h VAL 174 Cb 1.31 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2aa4 h VAL 174 CO 0.43 0.03 0.46 -0.08 0.02 0.00 0.00 177.57 178.43 2aa4 h GLU 175 N 0.17 0.80 0.00 1.57 4.81 -1.00 0.97 114.58 121.90 2aa4 h GLU 175 Ca 0.35 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2aa4 h GLU 175 Cb 0.57 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2aa4 h GLU 175 CO -0.51 0.53 -0.01 0.00 -0.73 0.00 0.00 179.01 178.28 2aa4 h ALA 176 N 1.40 1.18 0.00 2.92 0.00 -1.75 -2.93 119.26 120.08 2aa4 h ALA 176 Ca 0.35 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.98 2aa4 h ALA 176 Cb 0.22 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2aa4 h ALA 176 CO -0.19 0.02 -1.97 -0.89 0.00 0.00 0.00 179.25 176.21 2aa4 n ILE 177 N -3.36 0.97 0.05 0.00 5.41 -0.86 -4.38 119.36 117.18 2aa4 n ILE 177 Ca -0.03 -0.33 0.09 0.00 1.00 0.00 0.00 62.75 63.49 2aa4 n ILE 177 Cb 0.11 -1.32 -0.08 0.00 -0.71 0.00 0.00 39.64 37.64 2aa4 n ILE 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2aa4 n ALA 178 N -3.28 2.50 -1.46 -1.39 0.00 0.28 -3.76 120.51 113.41 2aa4 n ALA 178 Ca -0.32 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.41 2aa4 n ALA 178 Cb 0.79 -0.93 0.10 0.00 0.00 0.00 0.00 19.45 19.41 2aa4 n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2aa4 s SER 179 N -5.13 4.32 0.41 0.00 1.04 -1.11 -4.74 113.70 108.49 2aa4 s SER 179 Ca -0.04 1.40 0.13 0.00 0.48 0.00 0.00 55.95 57.92 2aa4 s SER 179 Cb 0.11 -2.13 0.97 0.00 0.10 0.00 0.00 66.02 65.07 2aa4 s SER 179 CO 0.84 -2.09 1.95 1.23 0.98 0.00 0.00 173.24 176.15 2aa4 h GLY 180 N -1.17 0.72 1.04 7.32 0.00 -0.51 0.12 103.07 110.60 2aa4 h GLY 180 Ca -0.47 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.50 2aa4 h GLY 180 CO 0.58 0.11 -0.42 -0.09 0.00 0.00 0.00 176.54 176.72 2aa4 h ARG 181 N 0.49 0.78 -0.29 4.80 2.43 -1.72 -1.89 114.38 118.97 2aa4 h ARG 181 Ca 0.32 -0.46 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 2aa4 h ARG 181 Cb 0.59 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2aa4 h ARG 181 CO -0.10 1.09 -0.32 0.78 -1.51 0.00 0.00 179.97 179.91 2aa4 h GLY 182 N 0.53 0.67 0.95 2.80 0.00 -1.54 -0.63 103.07 105.85 2aa4 h GLY 182 Ca 0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2aa4 h GLY 182 CO 0.10 0.56 0.07 -2.22 0.00 0.00 0.00 176.54 175.05 2aa4 h ILE 183 N 0.53 1.08 -0.30 2.60 2.04 -0.80 -2.67 117.51 119.98 2aa4 h ILE 183 Ca 0.06 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2aa4 h ILE 183 Cb 0.80 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2aa4 h ILE 183 CO 0.07 0.07 -0.10 0.00 0.00 0.00 0.00 178.15 178.19 2aa4 h ALA 184 N 0.99 1.27 0.00 1.87 0.00 -1.20 -2.96 119.26 119.24 2aa4 h ALA 184 Ca 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2aa4 h ALA 184 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2aa4 h ALA 184 CO -0.01 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 2aa4 h ALA 185 N 1.43 0.96 -0.00 0.00 0.00 -1.01 -3.00 119.26 117.64 2aa4 h ALA 185 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aa4 h ALA 185 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2aa4 h ALA 185 CO 0.03 0.16 -0.36 0.00 0.00 0.00 0.00 179.25 179.07 2aa4 n ALA 186 N -2.15 3.23 -2.12 0.00 0.00 -1.02 -4.91 120.51 113.55 2aa4 n ALA 186 Ca 0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2aa4 n ALA 186 Cb 0.46 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2aa4 n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aa4 s ALA 187 N -2.96 3.62 0.46 0.00 0.00 -1.14 -5.02 121.76 116.73 2aa4 s ALA 187 Ca 0.13 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.24 2aa4 s ALA 187 Cb 0.18 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2aa4 s ALA 187 CO 0.65 -0.77 0.04 -0.65 0.00 0.00 0.00 175.76 175.03 2aa4 s GLN 188 N 1.64 2.10 6.58 0.00 -0.21 -1.26 -4.10 119.66 124.41 2aa4 s GLN 188 Ca 0.66 -2.20 0.00 0.00 0.02 0.00 0.00 55.36 53.84 2aa4 s GLN 188 Cb -0.37 -1.65 0.00 0.00 1.00 0.00 0.00 33.01 31.99 2aa4 s GLN 188 CO 0.30 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.66 2aa4 n GLY 189 N -1.16 2.83 0.09 3.09 0.00 -1.26 -2.08 105.19 106.70 2aa4 n GLY 189 Ca -0.10 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.68 2aa4 n GLY 189 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aa4 n GLU 190 N 13.70 0.13 0.05 1.61 0.28 -1.26 -2.02 120.64 133.12 2aa4 n GLU 190 Ca 0.00 0.36 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 2aa4 n GLU 190 Cb 0.00 -1.74 0.16 0.00 1.43 0.00 0.00 31.44 31.28 2aa4 n GLU 190 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2aa4 n LEU 191 N -1.99 0.66 -4.69 -1.84 4.32 -0.88 -4.87 117.00 107.71 2aa4 n LEU 191 Ca 0.03 0.17 -0.44 0.00 -0.02 0.00 0.00 56.01 55.75 2aa4 n LEU 191 Cb 0.21 -0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.80 2aa4 n LEU 191 CO 0.18 -0.02 1.40 0.00 -1.22 0.00 0.00 177.39 177.73 2aa4 n ALA 192 N -1.80 1.90 -0.04 -1.18 0.00 -0.86 -1.56 120.51 116.97 2aa4 n ALA 192 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2aa4 n ALA 192 Cb 0.43 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.36 2aa4 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aa4 n GLY 193 N 4.03 1.15 3.78 0.00 0.00 -1.26 -4.99 105.19 107.91 2aa4 n GLY 193 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2aa4 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 s ALA 194 N -2.44 3.19 0.73 4.61 0.00 -0.60 -5.07 121.76 122.18 2aa4 s ALA 194 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 2aa4 s ALA 194 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.97 2aa4 s ALA 194 CO 0.00 0.07 1.05 0.16 0.00 0.00 0.00 175.76 177.04 2aa4 s ASP 195 N -1.56 4.74 0.27 0.00 1.47 -1.26 -4.70 116.67 115.63 2aa4 s ASP 195 Ca 0.51 0.52 -0.00 0.00 1.18 0.00 0.00 52.55 54.76 2aa4 s ASP 195 Cb -0.20 -1.13 0.54 0.00 -0.34 0.00 0.00 42.92 41.79 2aa4 s ASP 195 CO 0.26 -1.67 1.78 0.00 0.68 0.00 0.00 175.17 176.22 2aa4 h ALA 196 N -0.70 1.35 0.09 2.11 0.00 -1.96 -0.31 119.26 119.84 2aa4 h ALA 196 Ca -0.45 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2aa4 h ALA 196 Cb 1.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2aa4 h ALA 196 CO 0.61 -0.01 -0.29 -0.22 0.00 0.00 0.00 179.25 179.34 2aa4 h LYS 197 N 0.72 -0.47 -0.50 0.00 1.63 -1.93 0.43 116.57 116.45 2aa4 h LYS 197 Ca 0.47 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.33 2aa4 h LYS 197 Cb 0.62 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 2aa4 h LYS 197 CO -0.33 -0.32 0.29 1.15 -3.45 0.00 0.00 179.45 176.79 2aa4 h THR 198 N -0.49 1.05 -0.77 1.00 2.02 -1.70 -2.04 112.91 111.97 2aa4 h THR 198 Ca 0.04 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2aa4 h THR 198 Cb 0.53 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2aa4 h THR 198 CO -0.19 0.11 0.51 0.40 0.37 0.00 0.00 175.52 176.72 2aa4 h ILE 199 N 0.59 1.19 -0.77 3.11 2.04 -0.78 0.75 117.51 123.64 2aa4 h ILE 199 Ca 0.20 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2aa4 h ILE 199 Cb 0.03 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.13 2aa4 h ILE 199 CO -0.09 0.19 0.36 -0.26 0.00 0.00 0.00 178.15 178.35 2aa4 h PHE 200 N 1.04 1.11 -0.09 1.37 -1.00 -0.68 -0.67 116.94 118.02 2aa4 h PHE 200 Ca 0.29 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 61.01 2aa4 h PHE 200 Cb -0.11 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.10 2aa4 h PHE 200 CO -0.02 0.81 0.04 1.15 -1.61 0.00 0.00 178.31 178.67 2aa4 h THR 201 N 1.10 1.13 -0.74 -1.55 2.02 -0.62 -1.31 112.91 112.95 2aa4 h THR 201 Ca 0.27 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2aa4 h THR 201 Cb 0.12 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2aa4 h THR 201 CO -0.03 0.11 0.49 0.03 0.37 0.00 0.00 175.52 176.49 2aa4 h ARG 202 N -0.00 0.97 -0.95 6.66 2.47 -0.65 -1.77 114.38 121.10 2aa4 h ARG 202 Ca 0.03 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2aa4 h ARG 202 Cb 0.15 -0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.20 2aa4 h ARG 202 CO -0.00 0.64 0.63 0.00 0.56 0.00 0.00 179.97 181.80 2aa4 h ALA 203 N 1.27 1.37 -0.60 0.04 0.00 -1.06 -1.15 119.26 119.14 2aa4 h ALA 203 Ca 0.27 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2aa4 h ALA 203 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.29 2aa4 h ALA 203 CO -0.06 0.54 0.41 0.78 0.00 0.00 0.00 179.25 180.92 2aa4 h GLY 204 N 1.22 0.37 -2.24 0.00 0.00 -0.35 -1.12 103.07 100.95 2aa4 h GLY 204 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2aa4 h GLY 204 CO -0.11 0.05 0.00 -1.06 0.00 0.00 0.00 176.54 175.42 2aa4 n GLN 205 N -4.44 2.87 -0.99 4.80 1.13 -0.51 -4.92 117.38 115.32 2aa4 n GLN 205 Ca 0.11 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 53.26 2aa4 n GLN 205 Cb 0.50 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.14 2aa4 n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aa4 n GLY 206 N 0.82 0.41 3.62 1.08 0.00 -0.42 -4.99 105.19 105.70 2aa4 n GLY 206 Ca 0.17 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 2aa4 n GLY 206 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aa4 s ASP 207 N -2.82 6.11 0.15 1.61 -1.08 -0.79 -4.91 116.67 114.94 2aa4 s ASP 207 Ca 0.00 1.60 -0.17 0.00 -0.52 0.00 0.00 52.55 53.46 2aa4 s ASP 207 Cb 0.00 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.98 2aa4 s ASP 207 CO 0.00 -1.49 1.73 -0.08 0.52 0.00 0.00 175.17 175.85 2aa4 h GLU 208 N 11.97 0.16 -0.33 4.34 4.57 -1.93 -1.05 114.58 132.31 2aa4 h GLU 208 Ca -0.35 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 2aa4 h GLU 208 Cb 1.17 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2aa4 h GLU 208 CO 1.00 0.10 0.12 0.37 -1.18 0.00 0.00 179.01 179.42 2aa4 h GLN 209 N 0.16 0.50 -0.54 1.92 4.15 -1.99 -1.16 115.11 118.15 2aa4 h GLN 209 Ca 0.15 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.50 2aa4 h GLN 209 Cb 0.18 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 2aa4 h GLN 209 CO -0.21 0.52 0.31 0.00 -1.93 0.00 0.00 178.83 177.52 2aa4 h ALA 210 N 0.96 0.69 -0.49 3.38 0.00 -1.84 -1.15 119.26 120.80 2aa4 h ALA 210 Ca 0.11 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2aa4 h ALA 210 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2aa4 h ALA 210 CO -0.01 0.01 0.29 1.96 0.00 0.00 0.00 179.25 181.51 2aa4 h GLN 211 N 0.62 0.57 -0.39 0.00 4.20 -0.96 -2.61 115.11 116.53 2aa4 h GLN 211 Ca 0.22 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2aa4 h GLN 211 Cb 0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2aa4 h GLN 211 CO -0.11 0.38 -0.14 1.96 -0.67 0.00 0.00 178.83 180.24 2aa4 h GLN 212 N 0.59 0.72 -0.48 1.46 1.08 -0.70 0.40 115.11 118.17 2aa4 h GLN 212 Ca 0.20 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2aa4 h GLN 212 Cb 0.02 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2aa4 h GLN 212 CO -0.09 0.83 0.26 -0.07 -0.95 0.00 0.00 178.83 178.81 2aa4 h LEU 213 N 0.64 0.57 0.24 1.46 3.38 -1.05 0.17 115.31 120.73 2aa4 h LEU 213 Ca 0.11 -0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 2aa4 h LEU 213 Cb 0.61 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.25 2aa4 h LEU 213 CO 0.04 0.46 -1.51 0.40 0.09 0.00 0.00 178.44 177.93 2aa4 h ILE 214 N 0.66 1.22 -0.80 1.22 2.04 -1.02 -2.72 117.51 118.11 2aa4 h ILE 214 Ca 0.17 -2.65 0.05 0.00 1.00 0.00 0.00 64.86 63.44 2aa4 h ILE 214 Cb 0.02 3.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.04 2aa4 h ILE 214 CO -0.03 0.81 0.49 0.45 0.00 0.00 0.00 178.15 179.88 2aa4 h HIS 215 N 0.11 0.91 -0.61 1.37 3.86 -0.83 -0.16 115.15 119.79 2aa4 h HIS 215 Ca -0.27 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 2aa4 h HIS 215 Cb 2.13 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 30.28 2aa4 h HIS 215 CO 0.13 0.47 0.30 -0.09 0.86 0.00 0.00 177.93 179.60 2aa4 h ARG 216 N 0.91 0.88 -0.13 2.45 2.43 -0.99 0.24 114.38 120.18 2aa4 h ARG 216 Ca 0.34 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2aa4 h ARG 216 Cb 0.14 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2aa4 h ARG 216 CO -0.16 0.71 0.03 1.03 -1.51 0.00 0.00 179.97 180.07 2aa4 h SER 217 N 0.84 0.02 -0.37 -3.80 0.87 -1.14 -1.22 113.55 108.75 2aa4 h SER 217 Ca 0.21 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.65 2aa4 h SER 217 Cb 0.11 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2aa4 h SER 217 CO -0.03 0.03 -0.28 0.00 -0.53 0.00 0.00 176.83 176.03 2aa4 h ALA 218 N 1.09 0.72 -0.66 6.23 0.00 -0.74 -1.08 119.26 124.81 2aa4 h ALA 218 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2aa4 h ALA 218 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2aa4 h ALA 218 CO -0.07 0.66 0.34 -0.09 0.00 0.00 0.00 179.25 180.10 2aa4 h ARG 219 N 0.76 0.94 -0.70 0.00 9.65 -0.51 -0.62 114.38 123.90 2aa4 h ARG 219 Ca 0.09 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2aa4 h ARG 219 Cb 0.84 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.21 2aa4 h ARG 219 CO 0.07 0.73 0.45 1.15 2.80 0.00 0.00 179.97 185.17 2aa4 h THR 220 N 0.91 1.15 -0.36 0.20 2.02 -0.95 -2.16 112.91 113.73 2aa4 h THR 220 Ca 0.23 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 2aa4 h THR 220 Cb 0.08 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2aa4 h THR 220 CO -0.03 0.17 -0.32 0.25 0.37 0.00 0.00 175.52 175.96 2aa4 h LEU 221 N 0.92 0.82 -0.83 2.58 5.85 -0.91 -2.07 115.31 121.67 2aa4 h LEU 221 Ca 0.26 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2aa4 h LEU 221 Cb -0.07 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2aa4 h LEU 221 CO -0.07 1.07 0.43 0.00 -0.34 0.00 0.00 178.44 179.53 2aa4 h ALA 222 N 0.97 1.07 -0.31 1.25 0.00 -0.89 -0.42 119.26 120.93 2aa4 h ALA 222 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2aa4 h ALA 222 Cb 0.86 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2aa4 h ALA 222 CO 0.07 0.60 -0.37 0.00 0.00 0.00 0.00 179.25 179.56 2aa4 h ARG 223 N 1.17 0.72 -0.52 0.00 3.08 -1.24 -1.65 114.38 115.92 2aa4 h ARG 223 Ca 0.29 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2aa4 h ARG 223 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2aa4 h ARG 223 CO -0.04 0.97 0.32 1.25 -1.07 0.00 0.00 179.97 181.40 2aa4 h LEU 224 N 0.60 0.54 -0.85 3.04 5.85 -1.06 -0.91 115.31 122.52 2aa4 h LEU 224 Ca 0.06 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2aa4 h LEU 224 Cb 0.90 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2aa4 h LEU 224 CO 0.08 0.38 0.34 0.40 -0.34 0.00 0.00 178.44 179.30 2aa4 h ILE 225 N 0.65 1.26 -0.33 4.05 2.04 -0.83 0.48 117.51 124.84 2aa4 h ILE 225 Ca 0.21 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2aa4 h ILE 225 Cb -0.01 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 2aa4 h ILE 225 CO -0.08 0.33 0.19 0.00 0.00 0.00 0.00 178.15 178.59 2aa4 h ALA 226 N 1.21 0.41 -0.43 1.87 0.00 -1.00 0.30 119.26 121.63 2aa4 h ALA 226 Ca 0.27 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2aa4 h ALA 226 Cb 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2aa4 h ALA 226 CO -0.03 -0.08 -0.03 -0.44 0.00 0.00 0.00 179.25 178.68 2aa4 h ASP 227 N 0.42 -0.24 -0.37 0.00 3.32 -0.49 -0.97 116.42 118.08 2aa4 h ASP 227 Ca 0.12 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 2aa4 h ASP 227 Cb 0.02 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2aa4 h ASP 227 CO -0.02 -0.08 -0.12 0.40 -1.72 0.00 0.00 179.24 177.69 2aa4 h ILE 228 N 0.08 1.26 -0.30 0.35 2.04 -0.69 -0.82 117.51 119.43 2aa4 h ILE 228 Ca 0.21 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2aa4 h ILE 228 Cb 0.31 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2aa4 h ILE 228 CO -0.38 0.42 0.19 0.50 0.00 0.00 0.00 178.15 178.88 2aa4 h LYS 229 N 0.74 0.40 -0.34 2.37 1.63 -0.65 0.20 116.57 120.93 2aa4 h LYS 229 Ca 0.12 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 2aa4 h LYS 229 Cb 0.63 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2aa4 h LYS 229 CO 0.04 0.29 0.07 0.00 -3.45 0.00 0.00 179.45 176.40 2aa4 h ALA 230 N 1.09 1.51 0.10 5.00 0.00 -0.86 0.01 119.26 126.10 2aa4 h ALA 230 Ca 0.11 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2aa4 h ALA 230 Cb -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2aa4 h ALA 230 CO -0.02 0.37 -0.86 1.15 0.00 0.00 0.00 179.25 179.88 2aa4 h THR 231 N 0.48 1.39 0.00 0.00 2.02 -0.87 -3.41 112.91 112.52 2aa4 h THR 231 Ca 0.11 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.85 2aa4 h THR 231 Cb 0.20 3.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2aa4 h THR 231 CO -0.00 0.66 -1.59 0.35 0.37 0.00 0.00 175.52 175.30 2aa4 n THR 232 N -4.18 0.02 -3.08 3.16 -2.24 0.68 -5.00 114.28 103.63 2aa4 n THR 232 Ca -0.18 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.08 2aa4 n THR 232 Cb 0.77 0.18 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 2aa4 n THR 232 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2aa4 n ASP 233 N -1.96 -5.22 -4.64 3.42 2.03 -0.01 -4.95 116.55 105.22 2aa4 n ASP 233 Ca -0.03 -0.29 -0.37 0.00 0.52 0.00 0.00 54.79 54.62 2aa4 n ASP 233 Cb 0.35 -4.26 0.06 0.00 -0.72 0.00 0.00 41.12 36.55 2aa4 n ASP 233 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aa4 h GLN 235 N 0.42 0.00 -3.39 0.00 4.20 -1.08 -3.48 115.11 111.78 2aa4 h GLN 235 Ca -0.49 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.16 2aa4 h GLN 235 Cb 1.36 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.01 2aa4 h GLN 235 CO 0.51 0.41 -0.10 0.00 -0.67 0.00 0.00 178.83 178.98 2aa4 s VAL 237 N -3.68 1.99 -0.23 0.00 1.01 -0.21 -2.19 120.40 117.09 2aa4 s VAL 237 Ca 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2aa4 s VAL 237 Cb 0.02 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2aa4 s VAL 237 CO -0.11 0.54 0.15 -0.69 0.00 0.00 0.00 175.10 174.99 2aa4 s VAL 238 N 0.68 5.35 -0.19 2.92 1.01 -0.35 -1.20 120.40 128.62 2aa4 s VAL 238 Ca -0.11 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2aa4 s VAL 238 Cb -0.16 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2aa4 s VAL 238 CO 0.02 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 2aa4 s VAL 239 N 0.86 3.57 0.00 2.92 1.01 0.06 -0.54 120.40 128.28 2aa4 s VAL 239 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2aa4 s VAL 239 Cb -0.13 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2aa4 s VAL 239 CO 0.03 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2aa4 n GLY 240 N 4.27 5.31 0.00 4.51 0.00 0.78 -1.45 105.19 118.62 2aa4 n GLY 240 Ca -0.18 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2aa4 n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa4 n GLY 241 N 1.38 -0.96 0.22 -0.02 0.00 -1.26 -0.76 105.19 103.79 2aa4 n GLY 241 Ca 0.00 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.44 2aa4 n GLY 241 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2aa4 h SER 242 N 0.00 0.00 0.13 1.61 4.64 -1.89 0.08 113.55 118.12 2aa4 h SER 242 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2aa4 h SER 242 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2aa4 h SER 242 CO 0.00 0.24 -1.33 0.58 -0.87 0.00 0.00 176.83 175.45 2aa4 h VAL 243 N 0.00 1.12 -0.20 0.95 2.07 -1.33 -3.15 116.25 115.71 2aa4 h VAL 243 Ca -0.00 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.05 2aa4 h VAL 243 Cb 0.45 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2aa4 h VAL 243 CO 0.03 0.72 -0.01 1.23 0.02 0.00 0.00 177.57 179.56 2aa4 h GLY 244 N 0.03 0.31 -0.57 2.17 0.00 -1.11 -2.18 103.07 101.70 2aa4 h GLY 244 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2aa4 h GLY 244 CO 0.09 0.15 -0.30 1.04 0.00 0.00 0.00 176.54 177.52 2aa4 n LEU 245 N -4.36 1.70 -4.74 3.11 4.77 -0.01 -4.22 117.00 113.26 2aa4 n LEU 245 Ca -0.00 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 2aa4 n LEU 245 Cb 0.19 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2aa4 n LEU 245 CO 0.37 0.31 1.22 0.00 -1.33 0.00 0.00 177.39 177.96 2aa4 n ALA 246 N -0.11 2.39 -1.63 -1.18 0.00 -0.82 -4.85 120.51 114.31 2aa4 n ALA 246 Ca 0.12 0.38 -0.51 0.00 0.00 0.00 0.00 53.44 53.43 2aa4 n ALA 246 Cb 0.43 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 2aa4 n ALA 246 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2aa4 n GLU 247 N 2.22 1.52 -0.05 0.00 1.02 -1.26 -1.44 120.64 122.65 2aa4 n GLU 247 Ca 0.09 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2aa4 n GLU 247 Cb 0.36 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 2aa4 n GLU 247 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aa4 n GLY 248 N 3.10 1.99 0.11 0.62 0.00 -1.26 -4.91 105.19 104.84 2aa4 n GLY 248 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2aa4 n GLY 248 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aa4 h TYR 249 N 0.00 0.33 -0.65 1.61 3.20 -1.56 -2.73 116.97 117.17 2aa4 h TYR 249 Ca 0.00 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 2aa4 h TYR 249 Cb 0.00 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2aa4 h TYR 249 CO 0.00 0.84 0.34 1.25 -1.64 0.00 0.00 178.16 178.95 2aa4 h LEU 250 N -0.28 0.82 -0.78 2.82 5.85 -1.76 -1.78 115.31 120.20 2aa4 h LEU 250 Ca -0.01 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.69 2aa4 h LEU 250 Cb 0.85 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 2aa4 h LEU 250 CO 0.05 0.70 0.44 0.00 -0.34 0.00 0.00 178.44 179.28 2aa4 h ALA 251 N 1.16 1.10 -0.23 1.25 0.00 -1.94 0.75 119.26 121.34 2aa4 h ALA 251 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2aa4 h ALA 251 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2aa4 h ALA 251 CO -0.03 0.07 0.15 1.25 0.00 0.00 0.00 179.25 180.69 2aa4 h LEU 252 N 0.75 0.26 -0.33 0.00 5.85 -1.13 -1.07 115.31 119.65 2aa4 h LEU 252 Ca 0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2aa4 h LEU 252 Cb 0.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2aa4 h LEU 252 CO -0.24 0.20 0.22 0.58 -0.34 0.00 0.00 178.44 178.85 2aa4 h VAL 253 N 0.30 1.08 -0.52 1.05 2.07 -0.56 -1.55 116.25 118.13 2aa4 h VAL 253 Ca 0.08 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2aa4 h VAL 253 Cb -0.03 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2aa4 h VAL 253 CO -0.02 0.08 0.34 -0.08 0.02 0.00 0.00 177.57 177.91 2aa4 h GLU 254 N 0.44 0.67 -0.71 1.57 4.81 -0.76 0.19 114.58 120.80 2aa4 h GLU 254 Ca 0.12 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2aa4 h GLU 254 Cb -0.05 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 2aa4 h GLU 254 CO -0.03 0.44 0.44 1.15 -0.73 0.00 0.00 179.01 180.29 2aa4 h THR 255 N 0.69 1.10 -0.17 0.32 2.02 -0.97 -1.17 112.91 114.73 2aa4 h THR 255 Ca 0.19 -0.30 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 2aa4 h THR 255 Cb -0.06 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2aa4 h THR 255 CO -0.05 0.16 -0.67 1.88 0.37 0.00 0.00 175.52 177.20 2aa4 h TYR 256 N 0.87 0.86 -0.34 3.16 0.05 -0.82 -3.06 116.97 117.69 2aa4 h TYR 256 Ca 0.28 -0.35 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 2aa4 h TYR 256 Cb 0.02 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2aa4 h TYR 256 CO -0.04 1.14 0.05 1.25 -1.05 0.00 0.00 178.16 179.51 2aa4 h LEU 257 N 0.47 0.46 -2.12 3.88 5.85 -0.76 -2.32 115.31 120.77 2aa4 h LEU 257 Ca -0.02 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2aa4 h LEU 257 Cb 1.27 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2aa4 h LEU 257 CO 0.13 0.49 -0.05 0.00 -0.34 0.00 0.00 178.44 178.68 2aa4 h ALA 258 N 1.57 1.13 0.00 1.25 0.00 -1.11 -1.94 119.26 120.16 2aa4 h ALA 258 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2aa4 h ALA 258 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2aa4 h ALA 258 CO 0.00 0.06 -0.08 1.96 0.00 0.00 0.00 179.25 181.19 2aa4 h GLN 259 N 0.00 0.00 -7.33 0.00 4.20 -1.41 -3.45 115.11 107.11 2aa4 h GLN 259 Ca -0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2aa4 h GLN 259 Cb 0.28 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.17 2aa4 h GLN 259 CO 0.01 0.08 0.35 -1.21 -0.67 0.00 0.00 178.83 177.39 2aa4 s GLU 260 N -3.29 2.60 0.58 1.46 0.41 -0.73 -5.01 118.70 114.73 2aa4 s GLU 260 Ca 0.05 1.01 -0.19 0.00 -0.41 0.00 0.00 54.97 55.43 2aa4 s GLU 260 Cb 0.06 -1.95 -0.06 0.00 -1.78 0.00 0.00 34.13 30.41 2aa4 s GLU 260 CO 0.65 -1.35 0.91 -2.30 -0.49 0.00 0.00 175.26 172.68 2aa4 n PRO 261 N -3.31 0.88 0.03 0.39 -0.02 -1.26 -4.88 135.00 126.84 2aa4 n PRO 261 Ca 0.08 0.34 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 2aa4 n PRO 261 Cb 0.54 -2.10 0.64 0.00 -0.02 0.00 0.00 33.50 32.56 2aa4 n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aa4 h ALA 262 N 0.53 2.31 0.00 3.55 0.00 -1.94 -1.03 119.26 122.68 2aa4 h ALA 262 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2aa4 h ALA 262 Cb 1.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2aa4 h ALA 262 CO 0.51 -0.42 -0.04 0.00 0.00 0.00 0.00 179.25 179.29 2aa4 h ALA 263 N 1.78 1.06 -0.02 0.00 0.00 -2.00 -2.62 119.26 117.45 2aa4 h ALA 263 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2aa4 h ALA 263 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2aa4 h ALA 263 CO -0.02 0.05 -0.16 1.19 0.00 0.00 0.00 179.25 180.31 2aa4 n PHE 264 N -3.21 0.00 -2.47 0.00 3.72 -0.39 -4.90 117.46 110.20 2aa4 n PHE 264 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 2aa4 n PHE 264 Cb 0.24 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 2aa4 n PHE 264 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2aa4 s HIS 265 N -2.22 3.38 -0.06 1.38 3.76 -0.99 -4.49 115.29 116.05 2aa4 s HIS 265 Ca 0.28 1.66 -0.15 0.00 -0.15 0.00 0.00 55.06 56.70 2aa4 s HIS 265 Cb 0.20 -3.24 0.03 0.00 1.11 0.00 0.00 32.58 30.68 2aa4 s HIS 265 CO 0.42 -0.69 0.36 0.54 -0.85 0.00 0.00 174.74 174.51 2aa4 s VAL 266 N -1.40 0.03 0.18 -0.90 0.11 -1.26 -5.09 120.40 112.08 2aa4 s VAL 266 Ca 0.52 -0.29 -0.31 0.00 -2.93 0.00 0.00 61.98 58.97 2aa4 s VAL 266 Cb -0.28 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2aa4 s VAL 266 CO 0.35 -0.16 1.47 -1.81 -3.33 0.00 0.00 175.10 171.63 2aa4 s ASP 267 N -0.82 6.68 0.01 3.54 1.01 -1.25 -4.84 116.67 120.99 2aa4 s ASP 267 Ca -0.09 2.55 0.02 0.00 0.71 0.00 0.00 52.55 55.74 2aa4 s ASP 267 Cb -0.04 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2aa4 s ASP 267 CO 0.03 -0.73 0.01 -0.76 0.21 0.00 0.00 175.17 173.94 2aa4 s LEU 268 N 0.57 3.57 0.01 1.23 1.43 -1.26 -1.05 118.68 123.18 2aa4 s LEU 268 Ca 0.65 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 2aa4 s LEU 268 Cb -0.41 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 2aa4 s LEU 268 CO 0.35 0.26 -0.02 -0.76 0.23 0.00 0.00 176.35 176.42 2aa4 s LEU 269 N -1.70 2.12 0.36 1.79 1.43 -0.34 -4.95 118.68 117.38 2aa4 s LEU 269 Ca 0.21 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 2aa4 s LEU 269 Cb -0.12 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.04 2aa4 s LEU 269 CO 0.12 -0.14 1.11 0.00 0.23 0.00 0.00 176.35 177.67 2aa4 s ALA 270 N -0.71 3.23 0.30 4.21 0.00 -1.26 -0.76 121.76 126.77 2aa4 s ALA 270 Ca -0.07 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 2aa4 s ALA 270 Cb -0.05 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 2aa4 s ALA 270 CO -0.00 -0.31 1.50 0.00 0.00 0.00 0.00 175.76 176.95 2aa4 n ALA 271 N 0.42 2.04 0.01 0.00 0.00 -0.53 -4.75 120.51 117.70 2aa4 n ALA 271 Ca 0.03 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.68 2aa4 n ALA 271 Cb 0.47 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.47 2aa4 n ALA 271 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2aa4 h HIS 272 N 4.18 0.93 -3.86 0.00 6.17 -1.93 -3.43 115.15 117.21 2aa4 h HIS 272 Ca -0.47 -0.43 -0.64 0.00 0.71 0.00 0.00 60.37 59.54 2aa4 h HIS 272 Cb 1.25 -0.13 -0.18 0.00 2.52 0.00 0.00 27.41 30.86 2aa4 h HIS 272 CO 0.56 1.25 -0.54 0.71 0.71 0.00 0.00 177.93 180.63 2aa4 s TYR 273 N -3.61 3.20 0.03 5.26 2.02 -1.26 -4.96 117.35 118.03 2aa4 s TYR 273 Ca -0.09 0.03 -0.16 0.00 -0.37 0.00 0.00 57.07 56.48 2aa4 s TYR 273 Cb 0.09 -2.36 -0.36 0.00 -0.40 0.00 0.00 41.96 38.93 2aa4 s TYR 273 CO 0.89 -0.20 1.00 -0.09 -1.57 0.00 0.00 175.55 175.59 2aa4 h ARG 274 N 8.35 0.55 -5.58 -0.62 2.43 -2.02 -3.45 114.38 114.04 2aa4 h ARG 274 Ca -0.35 -0.93 -0.45 0.00 -0.81 0.00 0.00 59.98 57.44 2aa4 h ARG 274 Cb 1.19 0.34 -0.16 0.00 -0.42 0.00 0.00 29.97 30.92 2aa4 h ARG 274 CO 0.56 1.44 -0.75 -1.01 -1.51 0.00 0.00 179.97 178.70 2aa4 s HIS 275 N -2.61 1.62 -1.17 2.20 3.76 -1.26 -4.87 115.29 112.95 2aa4 s HIS 275 Ca -0.09 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 2aa4 s HIS 275 Cb 0.04 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 32.94 2aa4 s HIS 275 CO 0.95 0.27 0.00 -0.25 -0.85 0.00 0.00 174.74 174.85 2aa4 n ASP 276 N 0.07 -4.61 0.08 1.40 8.00 -1.26 -4.90 116.55 115.32 2aa4 n ASP 276 Ca -0.12 0.27 -0.00 0.00 0.71 0.00 0.00 54.79 55.65 2aa4 n ASP 276 Cb 0.59 -3.08 0.30 0.00 -0.02 0.00 0.00 41.12 38.90 2aa4 n ASP 276 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aa4 h ALA 277 N 0.00 1.31 -0.20 2.24 0.00 -1.89 -1.52 119.26 119.19 2aa4 h ALA 277 Ca -0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2aa4 h ALA 277 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2aa4 h ALA 277 CO 0.33 0.47 0.00 0.78 0.00 0.00 0.00 179.25 180.83 2aa4 h GLY 278 N 0.94 0.39 0.53 0.00 0.00 -1.85 0.21 103.07 103.29 2aa4 h GLY 278 Ca 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.15 2aa4 h GLY 278 CO 0.04 0.26 0.00 1.41 0.00 0.00 0.00 176.54 178.25 2aa4 h LEU 279 N 0.12 -0.11 0.00 3.11 3.38 -1.81 -0.24 115.31 119.75 2aa4 h LEU 279 Ca 0.06 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2aa4 h LEU 279 Cb 0.39 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2aa4 h LEU 279 CO 0.01 -0.02 -0.00 -0.07 0.09 0.00 0.00 178.44 178.45 2aa4 h LEU 280 N 0.09 -0.00 -1.43 1.67 3.38 -1.22 -2.78 115.31 115.02 2aa4 h LEU 280 Ca 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2aa4 h LEU 280 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2aa4 h LEU 280 CO -0.24 0.25 0.26 1.23 0.09 0.00 0.00 178.44 180.03 2aa4 h GLY 281 N -0.26 0.69 0.95 0.83 0.00 -0.46 -1.40 103.07 103.42 2aa4 h GLY 281 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2aa4 h GLY 281 CO 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 176.54 176.76 2aa4 h ALA 282 N 1.64 0.51 -0.70 3.60 0.00 -1.02 -1.92 119.26 121.37 2aa4 h ALA 282 Ca 0.17 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2aa4 h ALA 282 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2aa4 h ALA 282 CO -0.03 0.34 0.16 0.00 0.00 0.00 0.00 179.25 179.72 2aa4 h ALA 283 N 0.84 0.97 -0.71 0.00 0.00 -1.17 -1.57 119.26 117.62 2aa4 h ALA 283 Ca 0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2aa4 h ALA 283 Cb 0.56 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2aa4 h ALA 283 CO 0.03 0.66 0.18 -0.07 0.00 0.00 0.00 179.25 180.05 2aa4 h LEU 284 N 1.05 1.06 -0.80 0.00 3.38 -1.20 -2.47 115.31 116.34 2aa4 h LEU 284 Ca 0.22 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2aa4 h LEU 284 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2aa4 h LEU 284 CO 0.00 1.01 -0.03 -0.07 0.09 0.00 0.00 178.44 179.45 2aa4 h LEU 285 N 1.07 0.86 -1.91 1.67 3.38 -1.15 -2.82 115.31 116.41 2aa4 h LEU 285 Ca 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2aa4 h LEU 285 Cb 0.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2aa4 h LEU 285 CO 0.00 0.93 -0.08 0.00 0.09 0.00 0.00 178.44 179.38 2aa4 h ALA 286 N 1.15 1.14 0.00 1.53 0.00 -0.97 -2.46 119.26 119.66 2aa4 h ALA 286 Ca 0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2aa4 h ALA 286 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2aa4 h ALA 286 CO 0.03 0.11 -0.24 1.96 0.00 0.00 0.00 179.25 181.10 2aa4 h GLN 287 N 0.00 0.00 -1.10 0.00 4.20 -1.18 -2.98 115.11 114.05 2aa4 h GLN 287 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 2aa4 h GLN 287 Cb 0.36 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.90 2aa4 h GLN 287 CO 0.01 0.24 0.65 0.41 -0.67 0.00 0.00 178.83 179.47 2aa4 n GLY 288 N 0.02 4.76 0.16 3.46 0.00 -0.92 -5.13 105.19 107.54 2aa4 n GLY 288 Ca -0.00 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.56 2aa4 n GLY 288 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50