#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rt3 s SER 3 N 0.00 0.52 -0.62 9.51 0.01 -0.47 -4.86 113.70 117.78 1rt3 s SER 3 Ca 0.00 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 1rt3 s SER 3 Cb 0.00 0.06 -0.16 0.00 0.21 0.00 0.00 66.02 66.13 1rt3 s SER 3 CO 0.00 -0.22 2.97 -0.81 0.41 0.00 0.00 173.24 175.59 1rt3 n PRO 4 N 1.68 2.37 -4.22 12.44 -0.04 -1.25 -4.64 135.00 141.34 1rt3 n PRO 4 Ca -0.22 -1.35 -0.29 0.00 -0.04 0.00 0.00 63.50 61.60 1rt3 n PRO 4 Cb 0.55 -2.27 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 1rt3 n PRO 4 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rt3 s ILE 5 N 1.85 3.43 0.00 0.52 1.01 -1.26 -5.07 121.20 121.68 1rt3 s ILE 5 Ca 0.59 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1rt3 s ILE 5 Cb 0.22 -2.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 1rt3 s ILE 5 CO -0.02 0.05 1.79 -1.61 0.00 0.00 0.00 174.94 175.15 1rt3 s GLU 6 N -2.40 4.16 0.30 2.79 2.02 -1.26 -4.91 118.70 119.41 1rt3 s GLU 6 Ca 0.23 2.40 -0.29 0.00 0.02 0.00 0.00 54.97 57.32 1rt3 s GLU 6 Cb -0.11 -4.01 -0.10 0.00 0.10 0.00 0.00 34.13 30.01 1rt3 s GLU 6 CO 0.15 -0.88 1.39 0.99 0.02 0.00 0.00 175.26 176.92 1rt3 s THR 7 N 4.05 2.62 -0.18 3.63 2.01 -1.26 -4.99 115.64 121.52 1rt3 s THR 7 Ca 0.80 0.57 -0.21 0.00 0.31 0.00 0.00 61.69 63.16 1rt3 s THR 7 Cb -0.38 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1rt3 s THR 7 CO 0.35 0.12 0.62 -0.69 -0.69 0.00 0.00 174.62 174.33 1rt3 s VAL 8 N -0.61 5.04 -0.25 3.82 1.01 -1.26 -4.98 120.40 123.16 1rt3 s VAL 8 Ca 0.54 1.19 -0.28 0.00 0.00 0.00 0.00 61.98 63.43 1rt3 s VAL 8 Cb -0.41 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1rt3 s VAL 8 CO 0.50 0.14 2.02 -2.16 0.00 0.00 0.00 175.10 175.59 1rt3 s PRO 9 N 1.71 3.29 0.01 2.72 0.04 -1.26 -4.12 135.00 137.40 1rt3 s PRO 9 Ca 0.29 1.81 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 1rt3 s PRO 9 Cb -0.16 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 1rt3 s PRO 9 CO 0.11 -1.91 0.11 0.08 0.04 0.00 0.00 177.00 175.42 1rt3 s VAL 10 N 7.42 4.86 0.01 -0.36 1.01 -1.26 -5.09 120.40 126.99 1rt3 s VAL 10 Ca 0.91 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1rt3 s VAL 10 Cb -0.29 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1rt3 s VAL 10 CO 0.35 0.29 0.15 -0.75 0.00 0.00 0.00 175.10 175.14 1rt3 s LYS 11 N -1.93 0.55 0.55 2.72 2.20 -1.26 -4.71 119.74 117.86 1rt3 s LYS 11 Ca 0.25 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 55.25 1rt3 s LYS 11 Cb -0.12 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.37 1rt3 s LYS 11 CO 0.17 -0.14 0.98 -0.51 -0.36 0.00 0.00 175.35 175.49 1rt3 s LEU 12 N -1.63 3.47 0.19 5.43 1.43 -1.26 -2.19 118.68 124.11 1rt3 s LEU 12 Ca -0.11 1.44 -0.31 0.00 -1.03 0.00 0.00 54.13 54.12 1rt3 s LEU 12 Cb -0.05 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.64 1rt3 s LEU 12 CO -0.00 -0.70 1.49 -0.54 0.23 0.00 0.00 176.35 176.83 1rt3 s LYS 13 N -4.57 4.25 -0.01 1.70 1.02 -0.43 -4.62 119.74 117.07 1rt3 s LYS 13 Ca 0.56 2.29 -0.09 0.00 0.02 0.00 0.00 55.97 58.76 1rt3 s LYS 13 Cb -0.10 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1rt3 s LYS 13 CO 0.42 -0.51 0.24 -2.30 -0.92 0.00 0.00 175.35 172.28 1rt3 n PRO 14 N 3.39 0.00 -0.91 -1.68 -0.02 -1.26 -1.99 135.00 132.52 1rt3 n PRO 14 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1rt3 n PRO 14 Cb 0.40 -0.31 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 1rt3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rt3 n GLY 15 N 0.39 0.23 3.91 -1.23 0.00 -1.26 -4.98 105.19 102.24 1rt3 n GLY 15 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1rt3 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rt3 s MET 16 N -1.10 3.53 0.30 1.61 -1.94 -0.84 -5.10 119.30 115.75 1rt3 s MET 16 Ca 0.00 -0.27 0.07 0.00 -1.71 0.00 0.00 55.69 53.78 1rt3 s MET 16 Cb 0.00 -2.94 -0.02 0.00 2.01 0.00 0.00 34.83 33.88 1rt3 s MET 16 CO 0.00 0.53 0.34 0.34 -0.01 0.00 0.00 175.02 176.22 1rt3 s ASP 17 N -2.50 5.73 0.90 3.03 -1.08 -1.26 -4.88 116.67 116.62 1rt3 s ASP 17 Ca 0.38 -0.25 -0.12 0.00 -0.52 0.00 0.00 52.55 52.05 1rt3 s ASP 17 Cb -0.12 -1.30 0.13 0.00 -1.46 0.00 0.00 42.92 40.16 1rt3 s ASP 17 CO 0.26 -0.26 1.09 -0.83 0.52 0.00 0.00 175.17 175.96 1rt3 s GLY 18 N -4.01 1.62 0.19 2.66 0.00 -1.26 -4.95 107.32 101.57 1rt3 s GLY 18 Ca 0.39 -0.07 -0.32 0.00 0.00 0.00 0.00 44.72 44.72 1rt3 s GLY 18 CO 0.28 0.42 1.65 2.56 0.00 0.00 0.00 173.10 178.01 1rt3 s PRO 19 N -4.93 4.16 -0.36 2.90 0.04 -1.26 -4.92 135.00 130.63 1rt3 s PRO 19 Ca 0.63 2.50 0.08 0.00 0.04 0.00 0.00 61.00 64.26 1rt3 s PRO 19 Cb -0.18 -3.11 0.45 0.00 0.04 0.00 0.00 34.50 31.70 1rt3 s PRO 19 CO 0.57 -0.68 1.13 1.17 0.04 0.00 0.00 177.00 179.22 1rt3 n LYS 20 N 3.90 3.19 -2.95 4.56 3.00 -1.26 -1.12 118.16 127.48 1rt3 n LYS 20 Ca 0.15 -4.20 -0.41 0.00 -0.00 0.00 0.00 58.31 53.85 1rt3 n LYS 20 Cb 0.37 -2.13 -0.04 0.00 0.00 0.00 0.00 35.03 33.22 1rt3 n LYS 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1rt3 s VAL 21 N -4.85 4.92 0.22 3.15 1.01 -1.07 -4.86 120.40 118.92 1rt3 s VAL 21 Ca 0.46 1.52 -0.32 0.00 0.00 0.00 0.00 61.98 63.64 1rt3 s VAL 21 Cb 0.40 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 1rt3 s VAL 21 CO -0.07 0.06 1.72 -0.75 0.00 0.00 0.00 175.10 176.06 1rt3 s LYS 22 N 2.03 4.12 0.09 2.72 2.20 -1.26 -4.04 119.74 125.59 1rt3 s LYS 22 Ca 0.36 2.62 -0.31 0.00 -0.36 0.00 0.00 55.97 58.28 1rt3 s LYS 22 Cb -0.16 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.01 1rt3 s LYS 22 CO 0.12 -0.75 1.47 -1.14 -0.36 0.00 0.00 175.35 174.69 1rt3 s GLN 23 N 1.08 4.27 -0.35 4.03 2.00 -1.26 -4.73 119.66 124.69 1rt3 s GLN 23 Ca 0.74 2.14 -0.22 0.00 -2.00 0.00 0.00 55.36 56.03 1rt3 s GLN 23 Cb -0.50 -3.39 0.00 0.00 0.80 0.00 0.00 33.01 29.93 1rt3 s GLN 23 CO 0.33 -0.56 0.72 1.67 -0.50 0.00 0.00 175.29 176.95 1rt3 s TRP 24 N 1.74 3.14 0.23 1.67 -2.14 -1.26 -5.00 118.94 117.32 1rt3 s TRP 24 Ca 0.67 0.51 -0.15 0.00 2.66 0.00 0.00 56.10 59.79 1rt3 s TRP 24 Cb -0.37 -3.26 -0.10 0.00 -3.10 0.00 0.00 33.47 26.63 1rt3 s TRP 24 CO 0.30 -0.66 0.13 -0.35 -2.66 0.00 0.00 176.95 173.71 1rt3 n PRO 25 N 6.23 0.00 -4.38 3.25 -0.04 -1.26 -4.95 135.00 133.85 1rt3 n PRO 25 Ca 0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 1rt3 n PRO 25 Cb 0.48 -0.66 -0.09 0.00 -0.04 0.00 0.00 33.50 33.19 1rt3 n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rt3 s LEU 26 N 2.62 1.80 0.60 1.53 1.02 -1.26 -5.14 118.68 119.85 1rt3 s LEU 26 Ca 0.40 -1.51 -0.19 0.00 0.02 0.00 0.00 54.13 52.85 1rt3 s LEU 26 Cb -0.47 0.01 -0.03 0.00 0.02 0.00 0.00 46.19 45.72 1rt3 s LEU 26 CO 0.40 -0.82 1.20 -0.89 0.02 0.00 0.00 176.35 176.27 1rt3 s THR 27 N -3.52 2.66 0.11 5.49 2.01 -1.26 -4.84 115.64 116.29 1rt3 s THR 27 Ca 0.34 0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1rt3 s THR 27 Cb 0.06 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1rt3 s THR 27 CO 0.16 -0.10 1.66 -0.08 -0.69 0.00 0.00 174.62 175.58 1rt3 h GLU 28 N 0.83 0.42 -1.01 4.92 4.81 -1.98 0.17 114.58 122.74 1rt3 h GLU 28 Ca -0.50 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 58.79 1rt3 h GLU 28 Cb 1.29 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 1rt3 h GLU 28 CO 0.55 0.43 0.63 1.49 -0.73 0.00 0.00 179.01 181.38 1rt3 h GLU 29 N 0.31 0.93 -0.15 1.92 4.81 -2.00 0.99 114.58 121.40 1rt3 h GLU 29 Ca 0.10 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1rt3 h GLU 29 Cb 0.16 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1rt3 h GLU 29 CO -0.01 0.62 -0.20 0.87 -0.73 0.00 0.00 179.01 179.56 1rt3 h LYS 30 N 0.96 0.39 -0.72 1.92 1.57 -1.78 -2.45 116.57 116.46 1rt3 h LYS 30 Ca 0.51 -0.23 0.12 0.00 -1.87 0.00 0.00 60.65 59.19 1rt3 h LYS 30 Cb 0.56 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 1rt3 h LYS 30 CO -0.29 0.80 0.30 0.82 -0.57 0.00 0.00 179.45 180.52 1rt3 h ILE 31 N 0.01 0.71 0.00 1.86 2.04 0.68 0.19 117.51 123.00 1rt3 h ILE 31 Ca 0.02 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1rt3 h ILE 31 Cb 0.76 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1rt3 h ILE 31 CO 0.05 0.09 -0.06 0.11 0.00 0.00 0.00 178.15 178.34 1rt3 h LYS 32 N 0.47 -0.10 0.05 2.37 1.57 -0.79 -1.37 116.57 118.77 1rt3 h LYS 32 Ca 0.39 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1rt3 h LYS 32 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1rt3 h LYS 32 CO -0.36 -0.07 -0.15 0.00 -0.57 0.00 0.00 179.45 178.30 1rt3 h ALA 33 N 0.89 -0.22 -0.72 3.86 0.00 -0.61 -2.34 119.26 120.11 1rt3 h ALA 33 Ca 0.02 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1rt3 h ALA 33 Cb 0.13 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1rt3 h ALA 33 CO -0.06 -0.66 0.39 -0.07 0.00 0.00 0.00 179.25 178.85 1rt3 h LEU 34 N -0.28 0.54 -1.12 0.00 3.38 -0.51 -0.69 115.31 116.64 1rt3 h LEU 34 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1rt3 h LEU 34 Cb 0.31 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1rt3 h LEU 34 CO -0.11 0.32 0.41 0.58 0.09 0.00 0.00 178.44 179.74 1rt3 h VAL 35 N 0.67 1.22 -0.20 1.22 2.07 -1.01 0.13 116.25 120.35 1rt3 h VAL 35 Ca 0.34 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1rt3 h VAL 35 Cb 0.31 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1rt3 h VAL 35 CO -0.24 0.24 0.02 -0.08 0.02 0.00 0.00 177.57 177.54 1rt3 h GLU 36 N 1.03 0.34 -0.29 1.57 4.81 -0.62 -0.84 114.58 120.58 1rt3 h GLU 36 Ca 0.26 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1rt3 h GLU 36 Cb 0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1rt3 h GLU 36 CO -0.04 0.51 -0.07 0.82 -0.73 0.00 0.00 179.01 179.49 1rt3 h ILE 37 N 0.12 1.28 -0.31 2.32 2.04 -1.04 -2.55 117.51 119.36 1rt3 h ILE 37 Ca 0.06 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.84 1rt3 h ILE 37 Cb 0.34 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1rt3 h ILE 37 CO 0.01 0.35 0.14 0.00 0.00 0.00 0.00 178.15 178.65 1rt3 h THR 39 N 0.30 1.18 -0.66 0.00 1.35 -1.15 -0.93 112.91 113.00 1rt3 h THR 39 Ca 0.13 -0.33 0.12 0.00 -0.55 0.00 0.00 66.41 65.78 1rt3 h THR 39 Cb 0.07 0.17 -0.09 0.00 -1.73 0.00 0.00 68.15 66.57 1rt3 h THR 39 CO -0.11 0.17 0.22 -0.08 -0.25 0.00 0.00 175.52 175.47 1rt3 h GLU 40 N 0.93 0.35 -0.46 4.72 4.57 -0.98 -0.95 114.58 122.76 1rt3 h GLU 40 Ca 0.25 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 1rt3 h GLU 40 Cb -0.10 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1rt3 h GLU 40 CO -0.05 0.23 -0.18 0.52 -1.18 0.00 0.00 179.01 178.35 1rt3 h MET 41 N 0.36 0.91 -0.75 1.92 2.86 -0.51 -2.58 114.93 117.14 1rt3 h MET 41 Ca 0.35 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1rt3 h MET 41 Cb 0.51 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1rt3 h MET 41 CO -0.38 1.01 0.32 1.49 1.06 0.00 0.00 176.91 180.41 1rt3 h GLU 42 N 0.80 1.10 -0.67 1.72 4.81 -0.12 0.18 114.58 122.39 1rt3 h GLU 42 Ca 0.11 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1rt3 h GLU 42 Cb 0.73 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1rt3 h GLU 42 CO 0.06 0.88 0.45 -0.22 -0.73 0.00 0.00 179.01 179.44 1rt3 h LYS 43 N 1.08 0.88 -0.15 1.92 3.64 -0.99 -0.06 116.57 122.89 1rt3 h LYS 43 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1rt3 h LYS 43 Cb 0.17 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1rt3 h LYS 43 CO -0.02 0.58 0.00 0.39 -2.27 0.00 0.00 179.45 178.13 1rt3 n GLU 44 N -4.44 1.57 -0.99 1.90 1.02 -0.60 -4.91 120.64 114.20 1rt3 n GLU 44 Ca 0.07 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1rt3 n GLU 44 Cb 0.04 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1rt3 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rt3 n GLY 45 N 1.03 0.25 0.22 0.62 0.00 -0.03 -4.54 105.19 102.73 1rt3 n GLY 45 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1rt3 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rt3 h LYS 46 N 0.51 0.53 -4.00 1.61 1.57 -1.22 -3.43 116.57 112.13 1rt3 h LYS 46 Ca 0.00 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.31 1rt3 h LYS 46 Cb 0.51 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 32.63 1rt3 h LYS 46 CO 0.00 0.90 -0.70 0.96 -0.57 0.00 0.00 179.45 180.04 1rt3 s ILE 47 N -4.09 0.12 0.02 1.86 -4.36 -1.22 -0.27 121.20 113.26 1rt3 s ILE 47 Ca -0.07 -1.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.34 1rt3 s ILE 47 Cb 0.12 -0.39 -0.02 0.00 1.25 0.00 0.00 42.46 43.42 1rt3 s ILE 47 CO 0.83 -0.55 -0.07 -0.44 0.24 0.00 0.00 174.94 174.95 1rt3 s SER 48 N -1.61 0.84 0.76 4.36 0.01 -1.09 -3.73 113.70 113.24 1rt3 s SER 48 Ca -0.14 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 56.63 1rt3 s SER 48 Cb -0.08 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.18 1rt3 s SER 48 CO -0.02 -0.07 1.19 -0.54 0.41 0.00 0.00 173.24 174.22 1rt3 s LYS 49 N -0.93 1.98 0.08 12.44 1.02 -1.26 -2.48 119.74 130.59 1rt3 s LYS 49 Ca -0.04 1.71 0.05 0.00 0.02 0.00 0.00 55.97 57.70 1rt3 s LYS 49 Cb -0.06 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1rt3 s LYS 49 CO 0.00 -1.95 -0.13 0.96 -0.92 0.00 0.00 175.35 173.32 1rt3 s ILE 50 N -2.12 1.04 0.64 2.17 -4.36 0.34 -4.88 121.20 114.05 1rt3 s ILE 50 Ca 0.73 -1.40 -0.04 0.00 -0.26 0.00 0.00 60.65 59.67 1rt3 s ILE 50 Cb -0.28 -1.14 0.05 0.00 1.25 0.00 0.00 42.46 42.34 1rt3 s ILE 50 CO 0.48 -0.34 0.93 -0.83 0.24 0.00 0.00 174.94 175.42 1rt3 s GLY 51 N -1.96 1.72 0.00 6.27 0.00 -1.26 -4.47 107.32 107.62 1rt3 s GLY 51 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1rt3 s GLY 51 CO 0.02 -0.68 0.60 -1.05 0.00 0.00 0.00 173.10 171.99 1rt3 n PRO 52 N -2.70 0.00 -0.17 2.90 -0.02 -1.26 -1.77 135.00 131.98 1rt3 n PRO 52 Ca 0.08 0.18 0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1rt3 n PRO 52 Cb 0.60 -1.62 0.29 0.00 -0.02 0.00 0.00 33.50 32.75 1rt3 n PRO 52 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1rt3 h GLU 53 N 0.00 0.89 -6.09 -0.52 4.57 -2.04 -3.40 114.58 107.99 1rt3 h GLU 53 Ca 0.00 -0.05 -0.58 0.00 -1.18 0.00 0.00 59.36 57.54 1rt3 h GLU 53 Cb 0.23 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 28.55 1rt3 h GLU 53 CO 0.00 0.59 0.73 1.21 -1.18 0.00 0.00 179.01 180.36 1rt3 s ASN 54 N -6.43 6.97 0.01 1.04 3.84 -0.73 -4.91 114.94 114.73 1rt3 s ASN 54 Ca -0.10 1.16 0.23 0.00 0.21 0.00 0.00 52.86 54.35 1rt3 s ASN 54 Cb 0.18 -2.52 0.05 0.00 -0.55 0.00 0.00 41.25 38.42 1rt3 s ASN 54 CO 0.77 -0.71 1.07 -0.81 -2.79 0.00 0.00 177.10 174.63 1rt3 n PRO 55 N 6.45 0.08 -2.64 0.43 -0.04 -1.26 -4.96 135.00 133.05 1rt3 n PRO 55 Ca 0.10 -0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.20 1rt3 n PRO 55 Cb 0.47 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1rt3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rt3 s TYR 56 N -3.05 3.34 -0.05 0.54 2.02 -1.26 -4.81 117.35 114.08 1rt3 s TYR 56 Ca 0.08 1.66 -0.17 0.00 -0.37 0.00 0.00 57.07 58.27 1rt3 s TYR 56 Cb 0.16 -3.03 0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1rt3 s TYR 56 CO 0.80 -0.38 0.38 1.21 -1.57 0.00 0.00 175.55 176.00 1rt3 s ASN 57 N -1.71 -0.30 -0.02 2.29 2.47 -0.28 -4.60 114.94 112.78 1rt3 s ASN 57 Ca 0.58 0.33 0.00 0.00 0.42 0.00 0.00 52.86 54.19 1rt3 s ASN 57 Cb -0.19 0.46 0.02 0.00 -1.45 0.00 0.00 41.25 40.09 1rt3 s ASN 57 CO 0.24 -0.40 0.01 -0.89 -3.72 0.00 0.00 177.10 172.33 1rt3 s THR 58 N -0.97 0.09 0.20 -5.21 2.01 0.20 -2.58 115.64 109.39 1rt3 s THR 58 Ca -0.10 0.10 -0.32 0.00 0.31 0.00 0.00 61.69 61.68 1rt3 s THR 58 Cb -0.04 -0.18 -0.12 0.00 0.01 0.00 0.00 72.50 72.16 1rt3 s THR 58 CO 0.04 0.11 1.71 -2.65 -0.69 0.00 0.00 174.62 173.15 1rt3 n PRO 59 N 3.97 2.73 -4.44 4.92 -0.02 -1.26 -4.27 135.00 136.64 1rt3 n PRO 59 Ca -0.25 0.98 -0.24 0.00 -2.02 0.00 0.00 63.50 61.97 1rt3 n PRO 59 Cb 0.52 -2.83 -0.13 0.00 -0.02 0.00 0.00 33.50 31.04 1rt3 n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rt3 s VAL 60 N 1.16 1.65 0.01 -1.45 1.01 -1.26 -1.28 120.40 120.25 1rt3 s VAL 60 Ca 0.75 -1.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1rt3 s VAL 60 Cb -0.52 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1rt3 s VAL 60 CO 0.33 0.05 0.42 0.72 0.00 0.00 0.00 175.10 176.62 1rt3 s PHE 61 N -1.00 -0.30 -0.11 5.22 -0.71 0.26 -4.88 117.98 116.46 1rt3 s PHE 61 Ca 0.06 0.37 -0.16 0.00 -1.04 0.00 0.00 56.93 56.17 1rt3 s PHE 61 Cb -0.09 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.88 1rt3 s PHE 61 CO 0.03 -0.52 0.39 0.00 -1.34 0.00 0.00 175.22 173.78 1rt3 s ALA 62 N -1.94 3.57 0.07 1.99 0.00 -1.26 -0.97 121.76 123.21 1rt3 s ALA 62 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1rt3 s ALA 62 Cb -0.02 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1rt3 s ALA 62 CO 0.01 0.14 -0.07 0.42 0.00 0.00 0.00 175.76 176.27 1rt3 s ILE 63 N 0.20 0.57 -0.07 0.00 1.09 0.77 -4.92 121.20 118.84 1rt3 s ILE 63 Ca 0.22 -1.52 -0.09 0.00 -1.10 0.00 0.00 60.65 58.16 1rt3 s ILE 63 Cb -0.15 -1.15 -0.05 0.00 -1.06 0.00 0.00 42.46 40.06 1rt3 s ILE 63 CO 0.08 -0.66 0.23 -0.54 -0.10 0.00 0.00 174.94 173.96 1rt3 s LYS 64 N -2.78 3.60 0.53 2.79 1.02 -1.26 0.20 119.74 123.83 1rt3 s LYS 64 Ca 0.01 0.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.81 1rt3 s LYS 64 Cb -0.02 -3.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.05 1rt3 s LYS 64 CO -0.03 0.74 1.30 1.17 -0.92 0.00 0.00 175.35 177.61 1rt3 n LYS 65 N 1.81 1.63 -1.59 1.68 0.00 -1.21 -4.84 118.16 115.64 1rt3 n LYS 65 Ca -0.17 0.60 -0.47 0.00 0.00 0.00 0.00 58.31 58.27 1rt3 n LYS 65 Cb 0.54 -2.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.03 1rt3 n LYS 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1rt3 n LYS 66 N -0.85 1.86 -2.74 1.64 4.81 -1.26 -3.09 118.16 118.53 1rt3 n LYS 66 Ca 0.10 0.60 -0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1rt3 n LYS 66 Cb 0.44 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1rt3 n LYS 66 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1rt3 n ASN 67 N 9.06 -6.58 0.00 3.14 4.05 -1.26 -5.06 115.26 118.61 1rt3 n ASN 67 Ca 0.30 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.26 1rt3 n ASN 67 Cb 0.33 -4.41 0.00 0.00 1.23 0.00 0.00 39.78 36.93 1rt3 n ASN 67 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1rt3 n SER 68 N -1.62 0.00 -4.06 1.20 2.88 -1.18 -5.10 113.62 105.73 1rt3 n SER 68 Ca -0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1rt3 n SER 68 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1rt3 n SER 68 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1rt3 n THR 69 N -0.23 3.24 -3.60 2.46 -1.04 -1.26 -4.47 114.28 109.37 1rt3 n THR 69 Ca 0.00 -5.20 -0.12 0.00 -2.04 0.00 0.00 64.05 56.69 1rt3 n THR 69 Cb 0.00 -2.35 -0.06 0.00 -1.82 0.00 0.00 70.33 66.10 1rt3 n THR 69 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1rt3 s ARG 70 N -1.57 0.71 0.69 -2.82 3.52 -1.26 -5.10 118.95 113.12 1rt3 s ARG 70 Ca 0.29 0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 56.30 1rt3 s ARG 70 Cb -0.05 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 1rt3 s ARG 70 CO -0.10 -0.14 1.16 -1.58 -0.81 0.00 0.00 175.30 173.82 1rt3 s TRP 71 N -0.24 2.33 -0.01 5.12 0.52 -1.26 -3.30 118.94 122.10 1rt3 s TRP 71 Ca -0.01 1.58 -0.00 0.00 0.02 0.00 0.00 56.10 57.69 1rt3 s TRP 71 Cb -0.03 -3.32 0.02 0.00 -1.15 0.00 0.00 33.47 28.98 1rt3 s TRP 71 CO 0.00 -2.14 0.02 0.50 0.02 0.00 0.00 176.95 175.35 1rt3 s ARG 72 N -3.97 -0.02 0.05 4.98 6.06 0.52 -4.80 118.95 121.77 1rt3 s ARG 72 Ca 0.71 0.11 -0.21 0.00 -2.50 0.00 0.00 55.73 53.85 1rt3 s ARG 72 Cb -0.25 -0.15 -0.06 0.00 0.06 0.00 0.00 34.95 34.55 1rt3 s ARG 72 CO 0.43 -0.10 0.60 0.21 -2.50 0.00 0.00 175.30 173.94 1rt3 s LYS 73 N 0.64 4.29 0.01 5.12 2.20 -1.26 -0.16 119.74 130.57 1rt3 s LYS 73 Ca -0.05 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.35 1rt3 s LYS 73 Cb -0.08 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1rt3 s LYS 73 CO -0.02 0.52 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.28 1rt3 s LEU 74 N -0.73 2.11 -0.10 5.43 2.96 -0.15 -4.95 118.68 123.26 1rt3 s LEU 74 Ca 0.31 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1rt3 s LEU 74 Cb -0.19 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.43 1rt3 s LEU 74 CO 0.19 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.30 1rt3 s VAL 75 N -0.66 1.38 -1.13 1.68 1.01 -1.26 -0.58 120.40 120.84 1rt3 s VAL 75 Ca -0.05 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1rt3 s VAL 75 Cb -0.05 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 35.15 1rt3 s VAL 75 CO -0.00 0.42 1.48 -0.62 0.00 0.00 0.00 175.10 176.37 1rt3 s ASP 76 N 1.05 6.75 0.00 3.32 2.15 -0.40 -4.81 116.67 124.72 1rt3 s ASP 76 Ca -0.06 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 50.71 1rt3 s ASP 76 Cb -0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1rt3 s ASP 76 CO -0.02 -1.15 0.69 0.49 -0.17 0.00 0.00 175.17 175.01 1rt3 n PHE 77 N 7.60 0.00 -0.10 -5.34 3.72 -1.26 -4.35 117.46 117.72 1rt3 n PHE 77 Ca 0.37 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.70 1rt3 n PHE 77 Cb 0.47 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1rt3 n PHE 77 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1rt3 h ARG 78 N 0.03 -0.23 -0.36 -1.08 2.43 -1.88 0.43 114.38 113.73 1rt3 h ARG 78 Ca 0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1rt3 h ARG 78 Cb 0.24 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1rt3 h ARG 78 CO 0.00 -0.15 0.04 1.49 -1.51 0.00 0.00 179.97 179.84 1rt3 h GLU 79 N -0.23 0.61 -0.89 0.20 4.57 -2.00 -0.14 114.58 116.70 1rt3 h GLU 79 Ca 0.17 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1rt3 h GLU 79 Cb 0.50 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1rt3 h GLU 79 CO -0.49 0.69 0.54 1.25 -1.18 0.00 0.00 179.01 179.82 1rt3 h LEU 80 N 0.44 1.07 -0.87 1.64 5.85 -1.79 -0.58 115.31 121.08 1rt3 h LEU 80 Ca 0.11 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1rt3 h LEU 80 Cb 0.39 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1rt3 h LEU 80 CO 0.01 0.82 0.56 0.78 -0.34 0.00 0.00 178.44 180.28 1rt3 h ASN 81 N 1.23 0.95 -0.61 1.25 2.35 0.32 0.28 115.58 121.35 1rt3 h ASN 81 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1rt3 h ASN 81 Cb -0.05 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1rt3 h ASN 81 CO -0.06 0.66 0.40 0.50 -1.65 0.00 0.00 177.43 177.28 1rt3 h LYS 82 N 1.11 0.81 0.00 0.81 3.64 0.08 -2.55 116.57 120.48 1rt3 h LYS 82 Ca 0.34 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1rt3 h LYS 82 Cb -0.04 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1rt3 h LYS 82 CO -0.10 0.54 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1rt3 h ARG 83 N 0.83 0.00 -6.83 1.90 3.08 0.26 -3.46 114.38 110.16 1rt3 h ARG 83 Ca 0.22 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.78 1rt3 h ARG 83 Cb -0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1rt3 h ARG 83 CO -0.05 0.00 0.42 0.99 -1.07 0.00 0.00 179.97 180.26 1rt3 s THR 84 N -3.23 3.73 0.78 2.04 2.01 0.85 -1.31 115.64 120.52 1rt3 s THR 84 Ca 0.08 1.63 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 1rt3 s THR 84 Cb 0.10 -3.99 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1rt3 s THR 84 CO 0.57 0.30 1.02 0.00 -0.69 0.00 0.00 174.62 175.83 1rt3 n GLN 85 N 0.95 0.28 -2.43 4.92 10.64 -0.93 -4.53 117.38 126.28 1rt3 n GLN 85 Ca 0.00 0.16 -0.39 0.00 -1.83 0.00 0.00 57.00 54.94 1rt3 n GLN 85 Cb 0.47 -2.29 -0.04 0.00 -0.86 0.00 0.00 30.24 27.53 1rt3 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rt3 s ASP 86 N -1.89 6.99 0.23 2.61 1.11 -1.26 -4.89 116.67 119.57 1rt3 s ASP 86 Ca 0.72 2.27 0.10 0.00 0.18 0.00 0.00 52.55 55.81 1rt3 s ASP 86 Cb -0.31 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.02 1rt3 s ASP 86 CO 0.52 -0.34 -0.08 -0.36 1.18 0.00 0.00 175.17 176.09 1rt3 s PHE 87 N -1.30 2.59 -1.07 4.23 0.40 -1.26 -5.02 117.98 116.54 1rt3 s PHE 87 Ca 0.50 -0.24 -0.23 0.00 -0.60 0.00 0.00 56.93 56.36 1rt3 s PHE 87 Cb -0.30 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1rt3 s PHE 87 CO 0.39 0.59 1.79 -0.46 0.70 0.00 0.00 175.22 178.23 1rt3 s TRP 88 N -2.08 2.18 -1.94 0.36 -0.11 -1.26 -4.73 118.94 111.37 1rt3 s TRP 88 Ca 0.28 -0.15 0.25 0.00 1.22 0.00 0.00 56.10 57.71 1rt3 s TRP 88 Cb -0.07 -4.31 1.49 0.00 -1.50 0.00 0.00 33.47 29.08 1rt3 s TRP 88 CO 0.17 -1.66 1.87 0.39 -4.62 0.00 0.00 176.95 173.10 1rt3 n GLU 89 N 8.64 0.75 -0.21 5.86 1.02 -1.26 -4.92 120.64 130.51 1rt3 n GLU 89 Ca 0.41 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.59 1rt3 n GLU 89 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1rt3 n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1rt3 n VAL 90 N -1.03 0.00 -2.51 2.62 0.31 -1.26 -4.91 118.33 111.55 1rt3 n VAL 90 Ca 0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.21 1rt3 n VAL 90 Cb 0.10 -0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1rt3 n VAL 90 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1rt3 s GLN 91 N -0.56 3.70 -0.78 5.55 -0.44 -1.26 -5.00 119.66 120.87 1rt3 s GLN 91 Ca 0.00 0.52 -0.01 0.00 -2.50 0.00 0.00 55.36 53.37 1rt3 s GLN 91 Cb 0.00 -2.28 0.37 0.00 -1.64 0.00 0.00 33.01 29.46 1rt3 s GLN 91 CO 0.00 -0.24 1.91 1.28 0.50 0.00 0.00 175.29 178.74 1rt3 n LEU 92 N -1.94 7.19 -4.70 3.68 4.77 -1.26 -4.97 117.00 119.76 1rt3 n LEU 92 Ca 0.03 -4.84 -0.35 0.00 -0.03 0.00 0.00 56.01 50.83 1rt3 n LEU 92 Cb 0.54 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1rt3 n LEU 92 CO 0.51 1.80 -0.20 -0.83 -1.33 0.00 0.00 177.39 177.34 1rt3 s GLY 93 N -1.47 2.00 -0.15 -0.72 0.00 -1.26 -5.08 107.32 100.64 1rt3 s GLY 93 Ca 0.53 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 44.38 1rt3 s GLY 93 CO -0.35 0.12 0.35 -0.42 0.00 0.00 0.00 173.10 172.80 1rt3 s ILE 94 N 0.37 5.27 -0.48 0.90 1.01 -1.26 -5.04 121.20 121.97 1rt3 s ILE 94 Ca 0.06 0.68 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 1rt3 s ILE 94 Cb -0.11 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1rt3 s ILE 94 CO -0.01 0.36 1.45 -2.16 0.00 0.00 0.00 174.94 174.57 1rt3 s PRO 95 N 0.58 3.42 0.14 2.79 0.04 -1.26 -4.99 135.00 135.72 1rt3 s PRO 95 Ca 0.19 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 1rt3 s PRO 95 Cb -0.14 -4.09 -0.10 0.00 0.04 0.00 0.00 34.50 30.22 1rt3 s PRO 95 CO 0.06 -1.77 1.59 -1.58 0.04 0.00 0.00 177.00 175.34 1rt3 s HIS 96 N 5.89 2.88 0.36 0.56 2.46 -1.26 -4.89 115.29 121.29 1rt3 s HIS 96 Ca 0.59 0.54 0.17 0.00 0.47 0.00 0.00 55.06 56.83 1rt3 s HIS 96 Cb -0.13 -3.94 1.23 0.00 -0.13 0.00 0.00 32.58 29.61 1rt3 s HIS 96 CO 0.29 -3.56 1.60 -1.35 -2.47 0.00 0.00 174.74 169.25 1rt3 h PRO 97 N 7.23 0.06 -0.88 2.88 0.11 -1.97 -0.85 132.00 138.58 1rt3 h PRO 97 Ca -0.43 -0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.93 1rt3 h PRO 97 Cb 1.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1rt3 h PRO 97 CO 0.92 0.04 0.78 0.00 -0.21 0.00 0.00 178.00 179.53 1rt3 h ALA 98 N 1.97 2.73 -0.05 -0.75 0.00 -1.84 0.22 119.26 121.54 1rt3 h ALA 98 Ca 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.68 1rt3 h ALA 98 Cb 2.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1rt3 h ALA 98 CO -0.75 -1.23 0.00 0.41 0.00 0.00 0.00 179.25 177.68 1rt3 n GLY 99 N -1.66 -0.32 3.86 0.00 0.00 -0.33 -2.69 105.19 104.05 1rt3 n GLY 99 Ca 0.19 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1rt3 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rt3 s LEU 100 N -1.81 4.22 0.31 0.99 1.43 0.77 -4.76 118.68 119.83 1rt3 s LEU 100 Ca 0.37 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 1rt3 s LEU 100 Cb 0.19 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1rt3 s LEU 100 CO 0.30 -0.03 0.50 -0.54 0.23 0.00 0.00 176.35 176.81 1rt3 s LYS 101 N -2.51 3.49 -0.00 1.70 3.01 -1.26 -0.01 119.74 124.16 1rt3 s LYS 101 Ca 0.45 -0.36 -0.30 0.00 -1.01 0.00 0.00 55.97 54.75 1rt3 s LYS 101 Cb -0.13 -2.71 -0.05 0.00 -1.01 0.00 0.00 37.83 33.93 1rt3 s LYS 101 CO 0.20 0.22 1.39 0.21 0.51 0.00 0.00 175.35 177.88 1rt3 s LYS 102 N -4.09 4.28 -0.02 1.68 2.20 -1.26 -4.87 119.74 117.67 1rt3 s LYS 102 Ca 0.39 1.95 0.08 0.00 -0.36 0.00 0.00 55.97 58.03 1rt3 s LYS 102 Cb -0.10 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1rt3 s LYS 102 CO 0.34 -0.57 -0.26 0.15 -0.36 0.00 0.00 175.35 174.65 1rt3 s LYS 103 N 2.39 2.11 0.31 4.03 -0.14 -0.56 -4.91 119.74 122.98 1rt3 s LYS 103 Ca 0.63 -0.93 0.26 0.00 -1.36 0.00 0.00 55.97 54.58 1rt3 s LYS 103 Cb -0.31 -2.05 0.93 0.00 -1.68 0.00 0.00 37.83 34.72 1rt3 s LYS 103 CO 0.26 0.56 1.77 -0.22 -0.76 0.00 0.00 175.35 176.96 1rt3 h LYS 104 N 5.48 0.00 -2.26 1.68 3.64 -1.68 -3.38 116.57 120.04 1rt3 h LYS 104 Ca -0.43 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1rt3 h LYS 104 Cb 1.12 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.71 1rt3 h LYS 104 CO 0.47 0.00 -0.10 0.45 -2.27 0.00 0.00 179.45 178.00 1rt3 s SER 105 N -4.77 -0.77 0.01 4.20 0.15 -0.55 -4.96 113.70 107.01 1rt3 s SER 105 Ca 0.06 1.26 0.03 0.00 0.70 0.00 0.00 55.95 58.00 1rt3 s SER 105 Cb 0.10 1.14 -0.01 0.00 -1.71 0.00 0.00 66.02 65.54 1rt3 s SER 105 CO 0.51 -0.22 -0.10 -0.69 1.20 0.00 0.00 173.24 173.94 1rt3 s VAL 106 N 1.49 0.77 -0.01 4.45 1.01 -1.26 -0.78 120.40 126.07 1rt3 s VAL 106 Ca -0.09 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1rt3 s VAL 106 Cb -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1rt3 s VAL 106 CO -0.16 0.10 -0.02 -0.89 0.00 0.00 0.00 175.10 174.13 1rt3 s THR 107 N -0.47 0.19 -0.11 3.92 2.01 0.20 -4.90 115.64 116.48 1rt3 s THR 107 Ca 0.02 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 1rt3 s THR 107 Cb -0.05 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1rt3 s THR 107 CO 0.00 0.09 -0.09 0.54 -0.69 0.00 0.00 174.62 174.47 1rt3 s VAL 108 N 0.30 3.49 -0.11 3.82 0.11 -1.26 0.11 120.40 126.86 1rt3 s VAL 108 Ca -0.03 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1rt3 s VAL 108 Cb -0.05 -2.46 -0.01 0.00 -1.53 0.00 0.00 36.38 32.32 1rt3 s VAL 108 CO -0.01 0.55 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.39 1rt3 s LEU 109 N -0.13 2.57 -0.66 2.54 1.02 0.15 -4.55 118.68 119.63 1rt3 s LEU 109 Ca 0.01 -0.36 -0.27 0.00 0.02 0.00 0.00 54.13 53.52 1rt3 s LEU 109 Cb -0.13 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.54 1rt3 s LEU 109 CO 0.03 0.19 1.33 -0.62 0.02 0.00 0.00 176.35 177.30 1rt3 s ASP 110 N 0.18 6.15 -0.94 2.29 -1.08 -1.26 -1.34 116.67 120.67 1rt3 s ASP 110 Ca -0.09 -0.13 -0.00 0.00 -0.52 0.00 0.00 52.55 51.81 1rt3 s ASP 110 Cb -0.15 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.07 1rt3 s ASP 110 CO 0.05 -1.78 1.52 0.52 0.52 0.00 0.00 175.17 176.01 1rt3 n VAL 111 N 6.60 5.16 0.00 1.11 0.31 0.17 -4.37 118.33 127.32 1rt3 n VAL 111 Ca 0.07 -5.86 0.00 0.00 -0.01 0.00 0.00 64.34 58.55 1rt3 n VAL 111 Cb 0.49 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1rt3 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rt3 n GLY 112 N 0.31 0.09 0.00 2.92 0.00 -1.25 -4.43 105.19 102.83 1rt3 n GLY 112 Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.47 1rt3 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rt3 n ASP 113 N -1.62 0.00 0.20 1.61 9.92 -1.26 -2.73 116.55 122.67 1rt3 n ASP 113 Ca 0.00 0.17 0.13 0.00 -0.53 0.00 0.00 54.79 54.56 1rt3 n ASP 113 Cb 0.00 -0.33 0.71 0.00 -0.64 0.00 0.00 41.12 40.86 1rt3 n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rt3 h ALA 114 N 2.63 1.02 0.11 2.24 0.00 -1.78 -0.86 119.26 122.62 1rt3 h ALA 114 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rt3 h ALA 114 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1rt3 h ALA 114 CO 0.00 -0.02 -0.36 -0.92 0.00 0.00 0.00 179.25 177.95 1rt3 h TYR 115 N 0.00 -1.01 0.00 0.00 3.20 -1.79 -1.28 116.97 116.09 1rt3 h TYR 115 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1rt3 h TYR 115 Cb 0.05 0.43 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1rt3 h TYR 115 CO 0.00 -0.47 0.07 0.74 -1.64 0.00 0.00 178.16 176.86 1rt3 h PHE 116 N -0.59 0.00 0.00 -3.82 -1.00 -1.37 -0.68 116.94 109.48 1rt3 h PHE 116 Ca 0.03 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.63 1rt3 h PHE 116 Cb 0.62 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1rt3 h PHE 116 CO -0.32 0.00 -0.84 0.77 -1.61 0.00 0.00 178.31 176.31 1rt3 h SER 117 N 0.00 0.09 -3.03 2.17 0.02 -1.31 -3.35 113.55 108.14 1rt3 h SER 117 Ca 0.00 -0.07 -0.56 0.00 -0.84 0.00 0.00 61.79 60.32 1rt3 h SER 117 Cb 0.14 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1rt3 h SER 117 CO 0.00 0.88 0.77 -0.69 -1.14 0.00 0.00 176.83 176.66 1rt3 s VAL 118 N -3.16 4.33 0.97 2.27 1.01 -0.26 -1.37 120.40 124.19 1rt3 s VAL 118 Ca -0.01 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 1rt3 s VAL 118 Cb 0.11 -4.05 0.18 0.00 0.00 0.00 0.00 36.38 32.61 1rt3 s VAL 118 CO 0.80 -0.06 1.11 -2.16 0.00 0.00 0.00 175.10 174.79 1rt3 s PRO 119 N 2.75 0.59 0.11 2.72 0.04 -1.26 -0.57 135.00 139.38 1rt3 s PRO 119 Ca 0.54 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.99 1rt3 s PRO 119 Cb -0.22 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1rt3 s PRO 119 CO 0.18 -2.85 -0.12 -1.17 0.04 0.00 0.00 177.00 173.07 1rt3 s LEU 120 N -6.72 2.94 -0.06 -3.56 2.96 -0.94 -4.24 118.68 109.07 1rt3 s LEU 120 Ca 0.67 -0.44 -0.35 0.00 -0.22 0.00 0.00 54.13 53.79 1rt3 s LEU 120 Cb -0.23 -1.75 -0.13 0.00 0.50 0.00 0.00 46.19 44.59 1rt3 s LEU 120 CO 0.59 0.18 1.79 -0.67 -1.32 0.00 0.00 176.35 176.93 1rt3 n ASP 121 N 0.71 3.21 -0.22 3.68 2.03 -1.26 -4.81 116.55 119.90 1rt3 n ASP 121 Ca -0.14 1.01 -0.03 0.00 0.52 0.00 0.00 54.79 56.15 1rt3 n ASP 121 Cb 0.52 -1.35 0.04 0.00 -0.72 0.00 0.00 41.12 39.61 1rt3 n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1rt3 h GLU 122 N 8.25 -0.08 0.00 -0.67 4.22 -1.96 0.99 114.58 125.33 1rt3 h GLU 122 Ca -0.48 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1rt3 h GLU 122 Cb 1.28 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1rt3 h GLU 122 CO 0.93 -0.06 0.00 -0.25 -2.18 0.00 0.00 179.01 177.46 1rt3 n ASP 123 N -5.45 0.00 -0.10 1.04 8.00 -1.26 -3.12 116.55 115.66 1rt3 n ASP 123 Ca 0.06 -0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 1rt3 n ASP 123 Cb 0.35 -0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 1rt3 n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1rt3 n PHE 124 N -1.28 0.00 -0.33 1.24 7.35 0.19 -4.56 117.46 120.08 1rt3 n PHE 124 Ca 0.12 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 57.03 1rt3 n PHE 124 Cb 0.19 -0.99 0.43 0.00 0.35 0.00 0.00 39.48 39.45 1rt3 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rt3 h ARG 125 N 0.00 0.07 -0.94 -4.13 3.08 -1.08 0.74 114.38 112.11 1rt3 h ARG 125 Ca -0.55 -0.00 0.24 0.00 0.07 0.00 0.00 59.98 59.73 1rt3 h ARG 125 Cb 2.21 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 32.18 1rt3 h ARG 125 CO 0.02 0.04 0.64 1.57 -1.07 0.00 0.00 179.97 181.17 1rt3 h LYS 126 N 0.07 0.27 0.00 0.04 2.10 -1.80 0.73 116.57 117.98 1rt3 h LYS 126 Ca 0.71 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 59.28 1rt3 h LYS 126 Cb 1.67 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.93 1rt3 h LYS 126 CO -0.79 0.18 -0.26 1.88 -2.00 0.00 0.00 179.45 178.46 1rt3 h TYR 127 N 0.28 0.00 -0.27 0.07 0.05 -1.16 -2.96 116.97 112.98 1rt3 h TYR 127 Ca 0.49 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.10 1rt3 h TYR 127 Cb 1.43 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.09 1rt3 h TYR 127 CO -0.00 0.26 0.22 0.25 -1.05 0.00 0.00 178.16 177.84 1rt3 n THR 128 N -3.86 2.10 -2.69 -2.88 -2.24 0.25 -4.65 114.28 100.32 1rt3 n THR 128 Ca -0.02 -0.90 -0.40 0.00 -2.27 0.00 0.00 64.05 60.46 1rt3 n THR 128 Cb 0.35 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 1rt3 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rt3 s ALA 129 N -0.99 3.36 0.19 6.98 0.00 -1.12 -3.53 121.76 126.65 1rt3 s ALA 129 Ca 0.17 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1rt3 s ALA 129 Cb 0.14 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1rt3 s ALA 129 CO 0.01 0.12 0.18 -0.59 0.00 0.00 0.00 175.76 175.49 1rt3 s PHE 130 N -1.17 0.89 -0.10 0.00 -0.12 -0.64 0.63 117.98 117.46 1rt3 s PHE 130 Ca 0.42 -1.18 -0.05 0.00 -0.05 0.00 0.00 56.93 56.06 1rt3 s PHE 130 Cb -0.27 -0.37 0.05 0.00 -0.63 0.00 0.00 43.02 41.79 1rt3 s PHE 130 CO 0.34 -0.68 0.24 0.99 -0.05 0.00 0.00 175.22 176.06 1rt3 s THR 131 N -4.09 -0.08 -0.41 -4.49 2.01 -1.26 -1.20 115.64 106.10 1rt3 s THR 131 Ca 0.31 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.30 1rt3 s THR 131 Cb 0.06 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1rt3 s THR 131 CO 0.08 0.07 0.49 -0.63 -0.69 0.00 0.00 174.62 173.94 1rt3 s ILE 132 N 1.40 5.02 0.81 1.82 -1.09 -0.94 -4.85 121.20 123.37 1rt3 s ILE 132 Ca -0.08 -0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 1rt3 s ILE 132 Cb -0.11 -4.06 0.08 0.00 -1.58 0.00 0.00 42.46 36.80 1rt3 s ILE 132 CO -0.08 -0.43 1.17 -2.16 -1.23 0.00 0.00 174.94 172.21 1rt3 s PRO 133 N 2.31 1.71 0.13 2.79 0.04 -1.26 -3.57 135.00 137.15 1rt3 s PRO 133 Ca 0.15 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 1rt3 s PRO 133 Cb -0.16 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1rt3 s PRO 133 CO 0.15 -2.13 0.88 -1.54 0.04 0.00 0.00 177.00 174.40 1rt3 s SER 134 N -2.45 7.44 0.07 6.66 1.04 -1.26 -4.93 113.70 120.28 1rt3 s SER 134 Ca 0.70 1.72 0.02 0.00 0.48 0.00 0.00 55.95 58.87 1rt3 s SER 134 Cb -0.25 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.43 1rt3 s SER 134 CO 0.51 0.05 0.80 -0.38 0.98 0.00 0.00 173.24 175.21 1rt3 n ILE 135 N 2.32 0.73 -2.24 -1.02 5.41 -1.26 -5.09 119.36 118.20 1rt3 n ILE 135 Ca -0.01 0.56 -0.19 0.00 1.00 0.00 0.00 62.75 64.10 1rt3 n ILE 135 Cb 0.49 -1.56 -0.02 0.00 -0.71 0.00 0.00 39.64 37.84 1rt3 n ILE 135 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1rt3 n PRO 140 N -1.38 -1.51 -1.09 0.38 -0.05 -1.26 -5.06 135.00 125.03 1rt3 n PRO 140 Ca -0.00 0.97 -0.37 0.00 -0.05 0.00 0.00 63.50 64.05 1rt3 n PRO 140 Cb 0.33 -5.50 0.04 0.00 -0.05 0.00 0.00 33.50 28.31 1rt3 n PRO 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1rt3 n GLY 141 N -0.96 -3.82 3.05 0.55 0.00 -1.26 -5.00 105.19 97.75 1rt3 n GLY 141 Ca -0.22 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1rt3 n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rt3 s ILE 142 N -2.01 2.23 -0.17 -0.61 -4.36 -1.23 -5.06 121.20 109.98 1rt3 s ILE 142 Ca 0.48 -1.98 -0.08 0.00 -0.26 0.00 0.00 60.65 58.81 1rt3 s ILE 142 Cb -0.30 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 1rt3 s ILE 142 CO 0.75 -0.31 0.12 -0.13 0.24 0.00 0.00 174.94 175.61 1rt3 s ARG 143 N 1.00 3.86 0.38 0.37 1.81 -1.26 -2.22 118.95 122.90 1rt3 s ARG 143 Ca 0.01 -0.22 0.04 0.00 -1.72 0.00 0.00 55.73 53.84 1rt3 s ARG 143 Cb -0.20 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 1rt3 s ARG 143 CO -0.06 0.47 0.09 0.71 -0.68 0.00 0.00 175.30 175.83 1rt3 s TYR 144 N -0.15 1.86 0.09 -0.53 2.02 -0.34 -0.50 117.35 119.80 1rt3 s TYR 144 Ca 0.10 -1.12 -0.21 0.00 -0.37 0.00 0.00 57.07 55.47 1rt3 s TYR 144 Cb -0.12 -1.24 0.05 0.00 -0.40 0.00 0.00 41.96 40.25 1rt3 s TYR 144 CO 0.00 -0.13 0.50 1.14 -1.57 0.00 0.00 175.55 175.49 1rt3 s GLN 145 N -3.80 1.08 0.17 -0.62 -2.07 -1.04 -1.63 119.66 111.75 1rt3 s GLN 145 Ca 0.28 -0.41 -0.24 0.00 -1.82 0.00 0.00 55.36 53.17 1rt3 s GLN 145 Cb 0.05 0.49 -0.08 0.00 -1.09 0.00 0.00 33.01 32.38 1rt3 s GLN 145 CO 0.14 -0.42 0.75 0.71 -1.32 0.00 0.00 175.29 175.15 1rt3 s TYR 146 N -3.05 3.85 -0.91 9.60 2.02 -1.23 -2.66 117.35 124.97 1rt3 s TYR 146 Ca -0.02 1.55 0.13 0.00 -0.37 0.00 0.00 57.07 58.36 1rt3 s TYR 146 Cb -0.00 -2.71 -0.07 0.00 -0.40 0.00 0.00 41.96 38.78 1rt3 s TYR 146 CO -0.07 0.49 0.64 0.09 -1.57 0.00 0.00 175.55 175.14 1rt3 n ASN 147 N 1.44 1.02 -1.08 2.29 3.02 0.63 -4.65 115.26 117.92 1rt3 n ASN 147 Ca -0.06 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1rt3 n ASN 147 Cb 0.49 0.72 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 1rt3 n ASN 147 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1rt3 n VAL 148 N -0.72 0.00 -2.32 2.41 0.24 -1.23 -2.20 118.33 114.50 1rt3 n VAL 148 Ca 0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.91 1rt3 n VAL 148 Cb 0.24 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.58 1rt3 n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1rt3 s LEU 149 N 0.00 4.02 0.00 1.34 1.43 0.26 -4.18 118.68 121.56 1rt3 s LEU 149 Ca 0.00 1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 54.34 1rt3 s LEU 149 Cb 0.00 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1rt3 s LEU 149 CO 0.00 -1.00 1.38 -2.84 0.23 0.00 0.00 176.35 174.13 1rt3 s PRO 150 N 4.04 4.29 0.05 1.29 0.02 -1.26 -4.45 135.00 138.98 1rt3 s PRO 150 Ca 0.60 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 1rt3 s PRO 150 Cb -0.21 -3.55 -0.08 0.00 0.02 0.00 0.00 34.50 30.67 1rt3 s PRO 150 CO 0.22 -0.55 1.68 -1.14 -0.33 0.00 0.00 177.00 176.87 1rt3 s GLN 151 N 2.29 4.19 0.00 5.54 2.00 -1.26 -1.34 119.66 131.09 1rt3 s GLN 151 Ca 0.63 2.33 0.00 0.00 -2.00 0.00 0.00 55.36 56.32 1rt3 s GLN 151 Cb -0.31 -3.69 0.00 0.00 0.80 0.00 0.00 33.01 29.80 1rt3 s GLN 151 CO 0.26 -0.77 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 1rt3 n GLY 152 N 4.05 0.60 3.85 2.59 0.00 -1.26 -4.84 105.19 110.19 1rt3 n GLY 152 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1rt3 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rt3 s TRP 153 N -2.39 3.45 0.10 1.61 -0.00 -0.45 -4.76 118.94 116.51 1rt3 s TRP 153 Ca 0.00 1.12 -0.32 0.00 -0.00 0.00 0.00 56.10 56.90 1rt3 s TRP 153 Cb 0.00 -2.44 -0.13 0.00 -0.00 0.00 0.00 33.47 30.90 1rt3 s TRP 153 CO 0.00 0.21 1.51 -0.22 -0.00 0.00 0.00 176.95 178.46 1rt3 h LYS 154 N 2.62 -0.60 0.00 5.86 3.64 -1.91 -2.74 116.57 123.44 1rt3 h LYS 154 Ca -0.48 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1rt3 h LYS 154 Cb 1.18 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1rt3 h LYS 154 CO 0.67 -0.40 0.00 0.41 -2.27 0.00 0.00 179.45 177.85 1rt3 n GLY 155 N -1.43 -0.89 0.13 5.01 0.00 -1.26 -4.09 105.19 102.66 1rt3 n GLY 155 Ca -0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 1rt3 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rt3 h SER 156 N 0.00 -0.22 0.36 1.61 0.02 -1.78 -1.96 113.55 111.59 1rt3 h SER 156 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1rt3 h SER 156 Cb 0.05 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1rt3 h SER 156 CO 0.00 -0.15 -0.27 -0.65 -1.14 0.00 0.00 176.83 174.62 1rt3 h PRO 157 N -0.26 -0.60 0.09 3.45 0.11 -1.77 0.17 132.00 133.19 1rt3 h PRO 157 Ca -0.03 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.13 1rt3 h PRO 157 Cb 0.20 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1rt3 h PRO 157 CO 0.04 -0.40 -0.10 0.00 -0.21 0.00 0.00 178.00 177.33 1rt3 h ALA 158 N -0.06 -0.19 -0.59 -0.75 0.00 -1.81 0.15 119.26 116.01 1rt3 h ALA 158 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rt3 h ALA 158 Cb 0.54 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1rt3 h ALA 158 CO 0.00 -0.62 0.36 0.82 0.00 0.00 0.00 179.25 179.81 1rt3 h ILE 159 N -0.22 1.07 -0.05 0.00 2.04 -1.35 -1.21 117.51 117.79 1rt3 h ILE 159 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1rt3 h ILE 159 Cb 0.22 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1rt3 h ILE 159 CO -0.04 0.13 0.03 0.15 0.00 0.00 0.00 178.15 178.43 1rt3 h PHE 160 N 0.71 0.06 -0.08 1.37 3.57 -0.63 -0.78 116.94 121.17 1rt3 h PHE 160 Ca 0.23 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1rt3 h PHE 160 Cb 0.01 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1rt3 h PHE 160 CO -0.05 0.04 -0.23 0.37 -2.23 0.00 0.00 178.31 176.21 1rt3 h GLN 161 N 0.07 -0.30 0.06 1.11 4.15 -0.20 0.15 115.11 120.15 1rt3 h GLN 161 Ca 0.02 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1rt3 h GLN 161 Cb -0.01 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1rt3 h GLN 161 CO -0.00 -0.20 -0.13 0.66 -1.93 0.00 0.00 178.83 177.22 1rt3 h SER 162 N -0.32 -0.36 -0.92 -0.69 4.64 -1.06 -0.42 113.55 114.42 1rt3 h SER 162 Ca 0.09 0.05 0.13 0.00 -0.47 0.00 0.00 61.79 61.58 1rt3 h SER 162 Cb 0.44 0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 1rt3 h SER 162 CO -0.26 -0.19 0.54 0.28 -0.87 0.00 0.00 176.83 176.32 1rt3 h SER 163 N -0.25 0.74 -0.37 4.97 0.02 -0.80 0.73 113.55 118.59 1rt3 h SER 163 Ca 0.03 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1rt3 h SER 163 Cb 0.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1rt3 h SER 163 CO -0.09 0.36 0.22 -0.03 -1.14 0.00 0.00 176.83 176.15 1rt3 h MET 164 N 0.81 0.51 -0.69 3.45 -1.53 0.04 -1.50 114.93 116.02 1rt3 h MET 164 Ca 0.48 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.68 1rt3 h MET 164 Cb 0.57 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 1rt3 h MET 164 CO -0.31 0.40 0.41 1.15 0.14 0.00 0.00 176.91 178.70 1rt3 h THR 165 N 0.48 1.20 -0.78 -0.77 2.02 0.73 -0.57 112.91 115.23 1rt3 h THR 165 Ca 0.13 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1rt3 h THR 165 Cb 0.03 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1rt3 h THR 165 CO -0.02 0.21 0.41 0.11 0.37 0.00 0.00 175.52 176.59 1rt3 h LYS 166 N 0.94 1.09 -0.35 6.66 1.57 -0.68 0.22 116.57 126.01 1rt3 h LYS 166 Ca 0.25 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1rt3 h LYS 166 Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1rt3 h LYS 166 CO -0.05 0.81 -0.12 0.82 -0.57 0.00 0.00 179.45 180.34 1rt3 h ILE 167 N 1.09 1.28 -0.05 1.86 2.04 -0.62 -3.24 117.51 119.88 1rt3 h ILE 167 Ca 0.27 -1.21 -0.20 0.00 1.00 0.00 0.00 64.86 64.72 1rt3 h ILE 167 Cb 0.05 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1rt3 h ILE 167 CO -0.04 0.40 -0.81 -0.07 0.00 0.00 0.00 178.15 177.63 1rt3 h LEU 168 N 0.48 0.51 -0.97 1.44 3.38 -0.78 -3.36 115.31 116.01 1rt3 h LEU 168 Ca 0.08 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.86 1rt3 h LEU 168 Cb 0.64 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.08 1rt3 h LEU 168 CO 0.04 1.12 -0.34 1.21 0.09 0.00 0.00 178.44 180.56 1rt3 n GLU 169 N -3.80 -0.19 0.07 1.13 2.13 0.73 -0.28 120.64 120.43 1rt3 n GLU 169 Ca -0.05 1.49 -0.12 0.00 0.66 0.00 0.00 57.16 59.14 1rt3 n GLU 169 Cb 0.75 -2.22 -0.06 0.00 0.27 0.00 0.00 31.44 30.19 1rt3 n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1rt3 h PRO 170 N 0.00 -0.17 -0.55 5.31 0.11 -1.73 -0.20 132.00 134.77 1rt3 h PRO 170 Ca 0.37 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.51 1rt3 h PRO 170 Cb 0.61 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.72 1rt3 h PRO 170 CO -0.97 -0.11 0.33 0.35 -0.21 0.00 0.00 178.00 177.39 1rt3 h PHE 171 N -0.17 0.63 -0.60 0.65 3.57 -1.29 -1.55 116.94 118.17 1rt3 h PHE 171 Ca 0.02 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1rt3 h PHE 171 Cb 0.20 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1rt3 h PHE 171 CO -0.14 0.36 0.34 0.00 -2.23 0.00 0.00 178.31 176.64 1rt3 h ARG 172 N 0.66 0.63 0.24 1.11 3.08 -0.34 -1.16 114.38 118.60 1rt3 h ARG 172 Ca 0.22 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1rt3 h ARG 172 Cb 0.01 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1rt3 h ARG 172 CO -0.09 0.42 -0.46 -0.22 -1.07 0.00 0.00 179.97 178.55 1rt3 h LYS 173 N 0.65 -0.74 -0.01 0.04 3.64 -0.08 -2.33 116.57 117.74 1rt3 h LYS 173 Ca 0.26 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1rt3 h LYS 173 Cb 0.11 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1rt3 h LYS 173 CO -0.15 -0.50 0.00 0.00 -2.27 0.00 0.00 179.45 176.54 1rt3 n GLN 174 N -5.50 1.05 -2.97 1.90 10.64 -0.79 -3.86 117.38 117.86 1rt3 n GLN 174 Ca -0.09 -0.07 -0.15 0.00 -1.83 0.00 0.00 57.00 54.86 1rt3 n GLN 174 Cb 0.41 -1.29 -0.01 0.00 -0.86 0.00 0.00 30.24 28.48 1rt3 n GLN 174 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1rt3 n ASN 175 N -0.71 1.26 0.00 2.61 3.02 -0.46 -4.94 115.26 116.04 1rt3 n ASN 175 Ca 0.14 -2.93 0.03 0.00 -0.03 0.00 0.00 54.58 51.79 1rt3 n ASN 175 Cb 0.08 -0.58 0.14 0.00 -0.61 0.00 0.00 39.78 38.81 1rt3 n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1rt3 n PRO 176 N 0.12 0.09 0.01 3.52 -0.04 -1.06 -1.35 135.00 136.30 1rt3 n PRO 176 Ca 0.19 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1rt3 n PRO 176 Cb 0.71 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 33.08 1rt3 n PRO 176 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rt3 n ASP 177 N -1.25 0.33 -4.91 3.54 5.68 -1.26 -4.87 116.55 113.81 1rt3 n ASP 177 Ca 0.03 0.16 -0.20 0.00 -0.50 0.00 0.00 54.79 54.28 1rt3 n ASP 177 Cb 0.04 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 39.85 1rt3 n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1rt3 s ILE 178 N -3.02 3.81 -0.24 2.12 1.01 -0.45 -4.26 121.20 120.17 1rt3 s ILE 178 Ca 0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1rt3 s ILE 178 Cb 0.17 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.43 1rt3 s ILE 178 CO 0.62 -0.17 0.09 -0.69 0.00 0.00 0.00 174.94 174.79 1rt3 s VAL 179 N -2.24 0.18 -0.26 2.92 1.01 0.16 -4.98 120.40 117.20 1rt3 s VAL 179 Ca 0.42 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1rt3 s VAL 179 Cb -0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1rt3 s VAL 179 CO 0.28 -0.48 0.13 -0.63 0.00 0.00 0.00 175.10 174.41 1rt3 s ILE 180 N 1.99 4.94 -0.14 2.22 1.09 -1.26 -0.22 121.20 129.82 1rt3 s ILE 180 Ca 0.05 0.04 0.01 0.00 -1.10 0.00 0.00 60.65 59.65 1rt3 s ILE 180 Cb -0.16 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.91 1rt3 s ILE 180 CO -0.21 0.31 -0.18 -0.31 -0.10 0.00 0.00 174.94 174.45 1rt3 s TYR 181 N 1.49 2.73 0.35 3.97 2.02 0.66 -5.02 117.35 123.54 1rt3 s TYR 181 Ca 0.06 -1.10 -0.19 0.00 -0.37 0.00 0.00 57.07 55.47 1rt3 s TYR 181 Cb -0.15 -1.85 -0.10 0.00 -0.40 0.00 0.00 41.96 39.47 1rt3 s TYR 181 CO 0.07 -0.49 0.84 -0.65 -1.57 0.00 0.00 175.55 173.75 1rt3 s GLN 182 N 0.73 4.21 -0.30 -0.62 -0.21 -1.26 -1.76 119.66 120.44 1rt3 s GLN 182 Ca -0.08 0.96 -0.12 0.00 0.02 0.00 0.00 55.36 56.15 1rt3 s GLN 182 Cb -0.16 -2.45 0.18 0.00 1.00 0.00 0.00 33.01 31.59 1rt3 s GLN 182 CO 0.01 0.14 1.06 -0.47 -2.12 0.00 0.00 175.29 173.90 1rt3 s TYR 183 N -1.94 -0.47 0.00 0.91 5.04 -1.15 -4.95 117.35 114.79 1rt3 s TYR 183 Ca 0.55 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1rt3 s TYR 183 Cb -0.12 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.29 1rt3 s TYR 183 CO 0.17 -0.27 0.00 -1.33 -1.34 0.00 0.00 175.55 172.78 1rt3 n MET 184 N 5.19 0.00 -0.03 4.97 2.81 -1.26 -1.46 117.12 127.34 1rt3 n MET 184 Ca 0.06 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1rt3 n MET 184 Cb 0.57 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.09 1rt3 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rt3 n ASP 185 N -0.24 1.96 -4.19 7.83 9.92 -1.26 -4.77 116.55 125.80 1rt3 n ASP 185 Ca 0.00 -2.03 -0.20 0.00 -0.53 0.00 0.00 54.79 52.03 1rt3 n ASP 185 Cb 0.00 -0.51 -0.12 0.00 -0.64 0.00 0.00 41.12 39.85 1rt3 n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1rt3 s ASP 186 N 0.41 1.86 -0.27 -2.24 1.11 -0.54 -0.66 116.67 116.34 1rt3 s ASP 186 Ca 0.01 -0.61 -0.00 0.00 0.18 0.00 0.00 52.55 52.13 1rt3 s ASP 186 Cb 0.01 -0.08 0.08 0.00 1.07 0.00 0.00 42.92 44.01 1rt3 s ASP 186 CO 0.00 -0.03 0.04 -0.22 1.18 0.00 0.00 175.17 176.14 1rt3 s LEU 187 N -1.69 2.33 -0.11 1.23 2.96 -0.45 -2.92 118.68 120.05 1rt3 s LEU 187 Ca 0.00 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.31 1rt3 s LEU 187 Cb -0.10 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1rt3 s LEU 187 CO 0.03 -0.34 0.62 -0.31 -1.32 0.00 0.00 176.35 175.03 1rt3 s TYR 188 N 1.54 3.52 -0.06 5.38 2.02 -0.72 -0.67 117.35 128.35 1rt3 s TYR 188 Ca 0.04 1.08 0.03 0.00 -0.37 0.00 0.00 57.07 57.85 1rt3 s TYR 188 Cb -0.18 -2.73 0.01 0.00 -0.40 0.00 0.00 41.96 38.66 1rt3 s TYR 188 CO -0.15 0.06 -0.15 0.08 -1.57 0.00 0.00 175.55 173.82 1rt3 s VAL 189 N 0.98 1.34 0.08 0.71 1.01 0.12 -0.25 120.40 124.38 1rt3 s VAL 189 Ca 0.32 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1rt3 s VAL 189 Cb -0.17 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1rt3 s VAL 189 CO 0.14 0.40 -0.02 -0.83 0.00 0.00 0.00 175.10 174.79 1rt3 s GLY 190 N 0.45 0.66 0.06 4.51 0.00 0.69 0.58 107.32 114.27 1rt3 s GLY 190 Ca -0.12 -1.30 -0.28 0.00 0.00 0.00 0.00 44.72 43.01 1rt3 s GLY 190 CO 0.04 -1.36 1.12 -1.35 0.00 0.00 0.00 173.10 171.55 1rt3 s SER 191 N -2.98 -0.13 -0.01 1.64 1.04 0.04 0.37 113.70 113.68 1rt3 s SER 191 Ca 0.12 -0.26 0.20 0.00 0.48 0.00 0.00 55.95 56.49 1rt3 s SER 191 Cb 0.07 0.32 0.59 0.00 0.10 0.00 0.00 66.02 67.11 1rt3 s SER 191 CO -0.06 -0.60 1.49 0.47 0.98 0.00 0.00 173.24 175.53 1rt3 n ASP 192 N -0.46 3.83 -4.76 7.02 8.00 -1.26 -1.49 116.55 127.43 1rt3 n ASP 192 Ca -0.07 -2.05 -0.35 0.00 0.71 0.00 0.00 54.79 53.03 1rt3 n ASP 192 Cb 0.62 -0.45 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1rt3 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rt3 s LEU 193 N -1.09 3.71 0.23 0.64 1.43 -1.26 -4.75 118.68 117.60 1rt3 s LEU 193 Ca 0.44 2.28 -0.30 0.00 -1.03 0.00 0.00 54.13 55.51 1rt3 s LEU 193 Cb 0.24 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.76 1rt3 s LEU 193 CO 0.29 -1.39 1.52 -0.70 0.23 0.00 0.00 176.35 176.30 1rt3 s GLU 194 N -3.30 4.22 0.06 1.70 2.56 -1.26 -4.55 118.70 118.12 1rt3 s GLU 194 Ca 0.75 2.39 -0.07 0.00 0.00 0.00 0.00 54.97 58.04 1rt3 s GLU 194 Cb -0.27 -3.10 0.03 0.00 2.00 0.00 0.00 34.13 32.79 1rt3 s GLU 194 CO 0.30 -0.53 0.46 -0.89 -0.56 0.00 0.00 175.26 174.04 1rt3 n ILE 195 N 2.81 -0.18 0.11 -3.70 -0.00 -1.26 0.35 119.36 117.49 1rt3 n ILE 195 Ca 0.09 0.71 -0.12 0.00 -0.00 0.00 0.00 62.75 63.43 1rt3 n ILE 195 Cb 0.39 -0.91 -0.06 0.00 -0.00 0.00 0.00 39.64 39.07 1rt3 n ILE 195 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1rt3 h GLY 196 N 0.00 -0.32 1.34 7.39 0.00 -2.00 -0.69 103.07 108.78 1rt3 h GLY 196 Ca 0.08 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1rt3 h GLY 196 CO -0.29 -0.17 0.17 -1.61 0.00 0.00 0.00 176.54 174.65 1rt3 h GLN 197 N -0.34 0.84 0.07 4.80 5.75 -0.45 -2.60 115.11 123.17 1rt3 h GLN 197 Ca 0.02 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1rt3 h GLN 197 Cb 0.35 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1rt3 h GLN 197 CO -0.08 0.73 -0.13 1.25 -2.65 0.00 0.00 178.83 177.95 1rt3 h HIS 198 N 0.82 -0.33 -0.95 3.99 2.76 -0.24 -0.26 115.15 120.93 1rt3 h HIS 198 Ca 0.19 0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.55 1rt3 h HIS 198 Cb 0.25 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 1rt3 h HIS 198 CO 0.02 -0.19 0.61 0.00 -1.30 0.00 0.00 177.93 177.06 1rt3 h ARG 199 N -0.25 0.59 0.25 5.26 3.08 -0.76 0.06 114.38 122.61 1rt3 h ARG 199 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1rt3 h ARG 199 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1rt3 h ARG 199 CO -0.08 0.39 -0.12 1.15 -1.07 0.00 0.00 179.97 180.24 1rt3 h THR 200 N 0.61 0.81 -0.79 2.04 2.02 -0.94 -1.17 112.91 115.50 1rt3 h THR 200 Ca 0.52 -0.58 0.12 0.00 0.77 0.00 0.00 66.41 67.23 1rt3 h THR 200 Cb 0.99 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.45 1rt3 h THR 200 CO -0.27 0.12 0.40 0.11 0.37 0.00 0.00 175.52 176.26 1rt3 h LYS 201 N -0.64 0.61 -0.80 6.66 1.79 -0.09 0.60 116.57 124.70 1rt3 h LYS 201 Ca -0.03 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1rt3 h LYS 201 Cb 0.46 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1rt3 h LYS 201 CO 0.06 0.40 0.49 0.82 -1.08 0.00 0.00 179.45 180.14 1rt3 h ILE 202 N 0.63 1.06 -0.23 1.86 1.08 -0.88 0.54 117.51 121.56 1rt3 h ILE 202 Ca 0.41 -0.32 -0.14 0.00 -0.39 0.00 0.00 64.86 64.42 1rt3 h ILE 202 Cb 0.50 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1rt3 h ILE 202 CO -0.31 0.17 -0.44 -0.33 -0.69 0.00 0.00 178.15 176.55 1rt3 h GLU 203 N 0.92 0.58 -0.44 2.37 4.39 0.72 0.69 114.58 123.81 1rt3 h GLU 203 Ca 0.34 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 1rt3 h GLU 203 Cb 0.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1rt3 h GLU 203 CO -0.15 0.91 -0.07 1.49 -1.16 0.00 0.00 179.01 180.02 1rt3 h GLU 204 N 0.47 0.77 0.04 2.33 4.81 0.14 -0.42 114.58 122.73 1rt3 h GLU 204 Ca 0.03 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 58.83 1rt3 h GLU 204 Cb 0.96 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.28 1rt3 h GLU 204 CO 0.09 0.83 -0.80 1.25 -0.73 0.00 0.00 179.01 179.65 1rt3 h LEU 205 N 0.71 0.63 -0.46 1.64 7.12 0.31 -0.52 115.31 124.74 1rt3 h LEU 205 Ca 0.13 -0.80 0.08 0.00 0.13 0.00 0.00 57.88 57.42 1rt3 h LEU 205 Cb 0.54 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.41 1rt3 h LEU 205 CO 0.03 1.36 0.05 -0.09 -0.13 0.00 0.00 178.44 179.66 1rt3 h ARG 206 N -0.02 0.16 0.00 1.25 2.43 0.69 0.13 114.38 119.02 1rt3 h ARG 206 Ca -0.11 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1rt3 h ARG 206 Cb 1.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1rt3 h ARG 206 CO 0.16 0.11 -0.29 1.96 -1.51 0.00 0.00 179.97 180.39 1rt3 h GLN 207 N 0.17 0.00 -0.59 0.20 4.20 -1.14 -2.16 115.11 115.79 1rt3 h GLN 207 Ca 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1rt3 h GLN 207 Cb 0.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1rt3 h GLN 207 CO -0.34 0.29 0.30 1.25 -0.67 0.00 0.00 178.83 179.67 1rt3 h HIS 208 N 0.00 0.81 -0.02 2.96 2.76 0.69 0.23 115.15 122.57 1rt3 h HIS 208 Ca -0.00 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1rt3 h HIS 208 Cb 1.13 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.83 1rt3 h HIS 208 CO 0.00 0.59 -0.05 -0.07 -1.30 0.00 0.00 177.93 177.10 1rt3 h LEU 209 N 0.83 0.08 -1.61 0.26 3.38 -0.96 -3.14 115.31 114.15 1rt3 h LEU 209 Ca 0.21 -0.58 0.22 0.00 0.09 0.00 0.00 57.88 57.81 1rt3 h LEU 209 Cb 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1rt3 h LEU 209 CO -0.03 0.65 0.61 -0.07 0.09 0.00 0.00 178.44 179.69 1rt3 h LEU 210 N -0.49 0.32 -0.67 1.67 -0.00 -0.66 0.37 115.31 115.84 1rt3 h LEU 210 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1rt3 h LEU 210 Cb 0.64 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.25 1rt3 h LEU 210 CO 0.01 0.12 0.31 0.03 -0.00 0.00 0.00 178.44 178.91 1rt3 h ARG 211 N 0.31 0.98 0.00 1.13 3.08 -0.54 -1.45 114.38 117.89 1rt3 h ARG 211 Ca 0.47 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1rt3 h ARG 211 Cb 1.31 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1rt3 h ARG 211 CO -0.15 0.79 0.00 0.91 -1.07 0.00 0.00 179.97 180.45 1rt3 n TRP 212 N -4.44 0.17 0.00 3.04 7.02 0.11 -4.91 117.44 118.43 1rt3 n TRP 212 Ca 0.05 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1rt3 n TRP 212 Cb 0.14 -0.58 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 1rt3 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rt3 n GLY 213 N 1.45 0.90 3.64 6.99 0.00 0.00 -3.92 105.19 114.26 1rt3 n GLY 213 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1rt3 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rt3 s LEU 214 N 0.00 4.03 -0.11 0.99 1.43 -0.59 -4.88 118.68 119.55 1rt3 s LEU 214 Ca 0.00 1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.88 1rt3 s LEU 214 Cb 0.00 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1rt3 s LEU 214 CO 0.00 -0.73 1.27 0.12 0.23 0.00 0.00 176.35 177.24 1rt3 s PHE 215 N 3.30 2.92 0.27 0.29 2.19 -1.26 -3.34 117.98 122.36 1rt3 s PHE 215 Ca 0.41 1.03 0.07 0.00 0.33 0.00 0.00 56.93 58.78 1rt3 s PHE 215 Cb -0.14 -3.51 -0.06 0.00 -1.31 0.00 0.00 43.02 38.01 1rt3 s PHE 215 CO 0.11 -1.72 -0.09 0.95 1.83 0.00 0.00 175.22 176.31 1rt3 s THR 216 N 3.02 1.78 0.17 0.12 -4.23 -1.26 -4.48 115.64 110.76 1rt3 s THR 216 Ca 0.56 -2.17 -0.28 0.00 -1.18 0.00 0.00 61.69 58.63 1rt3 s THR 216 Cb -0.24 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 1rt3 s THR 216 CO 0.18 -0.34 0.87 -2.16 -0.54 0.00 0.00 174.62 172.63 1rt3 s PRO 217 N -3.69 4.70 0.16 3.99 0.04 -1.26 -5.03 135.00 133.90 1rt3 s PRO 217 Ca 0.29 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 1rt3 s PRO 217 Cb 0.02 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 1rt3 s PRO 217 CO 0.12 0.46 1.34 -0.51 0.04 0.00 0.00 177.00 178.45 1rt3 s ASP 218 N -0.84 6.87 0.52 6.66 1.01 -1.26 -4.88 116.67 124.74 1rt3 s ASP 218 Ca 0.40 2.35 0.45 0.00 0.71 0.00 0.00 52.55 56.46 1rt3 s ASP 218 Cb -0.24 -2.60 1.65 0.00 1.01 0.00 0.00 42.92 42.74 1rt3 s ASP 218 CO 0.29 -0.58 1.54 0.00 0.21 0.00 0.00 175.17 176.62 1rt3 n GLN 219 N 3.25 -0.01 0.32 8.23 6.02 -1.26 -0.47 117.38 133.47 1rt3 n GLN 219 Ca 0.09 1.11 -0.17 0.00 -0.01 0.00 0.00 57.00 58.01 1rt3 n GLN 219 Cb 0.43 -2.46 -0.09 0.00 1.02 0.00 0.00 30.24 29.14 1rt3 n GLN 219 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1rt3 h LYS 220 N 0.00 -0.81 -2.57 -1.09 1.79 -2.03 -3.13 116.57 108.73 1rt3 h LYS 220 Ca 0.91 0.06 -0.74 0.00 -2.18 0.00 0.00 60.65 58.70 1rt3 h LYS 220 Cb 3.49 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 34.18 1rt3 h LYS 220 CO -0.13 -0.54 2.25 0.72 -1.08 0.00 0.00 179.45 180.67 1rt3 n HIS 221 N -5.47 2.58 -4.35 -1.35 8.25 0.38 -4.93 115.22 110.34 1rt3 n HIS 221 Ca -0.12 -2.78 -0.22 0.00 -0.26 0.00 0.00 57.72 54.34 1rt3 n HIS 221 Cb 0.36 -1.77 -0.11 0.00 1.12 0.00 0.00 29.99 29.59 1rt3 n HIS 221 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1rt3 s GLN 222 N -1.44 1.31 0.24 -0.41 -0.21 -1.18 -4.65 119.66 113.32 1rt3 s GLN 222 Ca 0.53 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.18 1rt3 s GLN 222 Cb 0.19 -1.38 -0.09 0.00 1.00 0.00 0.00 33.01 32.73 1rt3 s GLN 222 CO -0.10 0.28 1.23 0.15 -2.12 0.00 0.00 175.29 174.73 1rt3 s LYS 223 N -2.84 4.47 0.05 2.91 1.02 -1.26 -5.04 119.74 119.05 1rt3 s LYS 223 Ca 0.17 1.99 0.01 0.00 0.02 0.00 0.00 55.97 58.16 1rt3 s LYS 223 Cb -0.06 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1rt3 s LYS 223 CO 0.07 -0.09 0.11 -1.83 -0.92 0.00 0.00 175.35 172.70 1rt3 s GLU 224 N -0.83 3.06 0.75 1.68 -1.05 -1.26 -4.62 118.70 116.42 1rt3 s GLU 224 Ca 0.51 -0.58 -0.13 0.00 -0.15 0.00 0.00 54.97 54.63 1rt3 s GLU 224 Cb -0.35 -2.84 0.05 0.00 -0.44 0.00 0.00 34.13 30.55 1rt3 s GLU 224 CO 0.42 0.60 1.13 -2.14 0.95 0.00 0.00 175.26 176.21 1rt3 s PRO 225 N -2.25 2.21 0.43 -4.83 0.02 -1.26 -4.53 135.00 124.79 1rt3 s PRO 225 Ca 0.29 1.42 -0.22 0.00 0.02 0.00 0.00 61.00 62.51 1rt3 s PRO 225 Cb -0.12 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 1rt3 s PRO 225 CO 0.21 -1.72 1.00 -1.25 -0.33 0.00 0.00 177.00 174.91 1rt3 s PRO 226 N -4.41 4.11 -0.20 5.54 0.04 -1.26 -5.12 135.00 133.71 1rt3 s PRO 226 Ca 0.66 1.29 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 1rt3 s PRO 226 Cb -0.21 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1rt3 s PRO 226 CO 0.50 -0.15 0.59 -0.06 0.04 0.00 0.00 177.00 177.91 1rt3 s PHE 227 N -1.97 3.38 -0.92 0.56 0.08 -0.05 -4.79 117.98 114.26 1rt3 s PHE 227 Ca 0.62 0.87 -0.24 0.00 0.12 0.00 0.00 56.93 58.30 1rt3 s PHE 227 Cb -0.15 -2.75 0.05 0.00 -0.57 0.00 0.00 43.02 39.60 1rt3 s PHE 227 CO 0.19 -0.14 1.38 -0.51 -0.10 0.00 0.00 175.22 176.04 1rt3 s LEU 228 N 1.77 3.46 -0.29 -0.37 2.01 -1.26 0.07 118.68 124.07 1rt3 s LEU 228 Ca 0.27 -1.15 -0.01 0.00 0.01 0.00 0.00 54.13 53.24 1rt3 s LEU 228 Cb -0.16 -2.56 0.05 0.00 0.01 0.00 0.00 46.19 43.53 1rt3 s LEU 228 CO 0.10 -1.60 -0.02 0.86 1.01 0.00 0.00 176.35 176.71 1rt3 s TRP 229 N 5.13 3.22 -0.78 0.29 -0.00 -1.01 -4.85 118.94 120.94 1rt3 s TRP 229 Ca 0.42 -1.83 -0.04 0.00 -0.00 0.00 0.00 56.10 54.65 1rt3 s TRP 229 Cb -0.03 -2.08 0.01 0.00 -0.00 0.00 0.00 33.47 31.36 1rt3 s TRP 229 CO -0.02 -0.79 0.62 -1.33 -0.00 0.00 0.00 176.95 175.43 1rt3 n MET 230 N 4.62 -1.57 0.00 5.86 2.81 -1.26 -1.05 117.12 126.54 1rt3 n MET 230 Ca -0.14 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.65 1rt3 n MET 230 Cb 0.44 -2.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 1rt3 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rt3 n GLY 231 N -1.52 2.06 3.86 3.03 0.00 -1.26 -4.96 105.19 106.41 1rt3 n GLY 231 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1rt3 n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rt3 n TYR 232 N -1.84 -2.31 -3.58 1.61 4.01 -0.21 -0.88 117.16 113.95 1rt3 n TYR 232 Ca 0.00 -2.09 -0.28 0.00 -0.16 0.00 0.00 57.90 55.37 1rt3 n TYR 232 Cb 0.00 -0.55 -0.16 0.00 -0.31 0.00 0.00 39.34 38.32 1rt3 n TYR 232 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1rt3 s GLU 233 N -4.61 0.19 -0.41 -0.72 2.12 0.22 -2.40 118.70 113.10 1rt3 s GLU 233 Ca 0.60 -0.40 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 1rt3 s GLU 233 Cb -0.05 -1.47 0.02 0.00 0.26 0.00 0.00 34.13 32.89 1rt3 s GLU 233 CO 0.38 -0.88 0.45 -0.51 -0.54 0.00 0.00 175.26 174.16 1rt3 s LEU 234 N 2.08 4.74 0.08 2.70 1.02 0.11 -2.30 118.68 127.11 1rt3 s LEU 234 Ca 0.06 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.69 1rt3 s LEU 234 Cb -0.16 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.58 1rt3 s LEU 234 CO -0.26 -0.56 0.15 -1.00 0.02 0.00 0.00 176.35 174.70 1rt3 s HIS 235 N 2.20 3.34 0.65 0.29 3.76 0.85 -0.87 115.29 125.50 1rt3 s HIS 235 Ca 0.13 0.14 0.35 0.00 -0.15 0.00 0.00 55.06 55.53 1rt3 s HIS 235 Cb -0.17 -1.67 1.90 0.00 1.11 0.00 0.00 32.58 33.76 1rt3 s HIS 235 CO 0.14 0.55 2.11 -1.35 -0.85 0.00 0.00 174.74 175.34 1rt3 h PRO 236 N 3.07 0.00 0.00 8.40 0.11 -1.96 -2.70 132.00 138.92 1rt3 h PRO 236 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rt3 h PRO 236 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1rt3 h PRO 236 CO 0.70 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1rt3 n ASP 237 N -3.20 1.04 -3.50 -2.05 5.75 -1.26 -1.49 116.55 111.85 1rt3 n ASP 237 Ca -0.01 -1.30 -0.09 0.00 -0.01 0.00 0.00 54.79 53.38 1rt3 n ASP 237 Cb 0.27 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 1rt3 n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1rt3 s LYS 238 N -0.30 0.85 0.24 0.11 -2.85 -1.02 -4.58 119.74 112.19 1rt3 s LYS 238 Ca 0.00 -0.27 -0.06 0.00 -1.00 0.00 0.00 55.97 54.64 1rt3 s LYS 238 Cb 0.00 0.39 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 1rt3 s LYS 238 CO 0.00 -0.36 0.31 1.67 0.10 0.00 0.00 175.35 177.06 1rt3 s TRP 239 N -2.98 0.85 0.00 1.78 1.48 -0.91 -0.11 118.94 119.05 1rt3 s TRP 239 Ca 0.04 -1.12 -0.29 0.00 -1.06 0.00 0.00 56.10 53.67 1rt3 s TRP 239 Cb -0.01 -0.22 0.11 0.00 -1.16 0.00 0.00 33.47 32.19 1rt3 s TRP 239 CO -0.08 -0.83 1.26 -0.08 -4.06 0.00 0.00 176.95 173.15 1rt3 s THR 240 N -3.99 0.00 0.41 0.66 -1.32 -0.97 -0.09 115.64 110.34 1rt3 s THR 240 Ca 0.32 -0.25 -0.22 0.00 -1.21 0.00 0.00 61.69 60.33 1rt3 s THR 240 Cb 0.03 -2.29 -0.11 0.00 -1.51 0.00 0.00 72.50 68.62 1rt3 s THR 240 CO 0.12 0.00 0.95 0.68 -2.21 0.00 0.00 174.62 174.16 1rt3 s VAL 241 N -2.34 4.36 0.79 5.08 -7.23 -1.26 0.72 120.40 120.51 1rt3 s VAL 241 Ca 0.18 1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 61.78 1rt3 s VAL 241 Cb 0.03 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.36 1rt3 s VAL 241 CO -0.02 -0.24 1.13 0.00 -0.31 0.00 0.00 175.10 175.66 1rt3 s GLN 242 N -2.98 1.97 -0.87 4.82 -2.07 -0.06 -4.67 119.66 115.81 1rt3 s GLN 242 Ca 0.60 1.43 -0.26 0.00 -1.82 0.00 0.00 55.36 55.30 1rt3 s GLN 242 Cb -0.11 -1.85 -0.19 0.00 -1.09 0.00 0.00 33.01 29.77 1rt3 s GLN 242 CO 0.15 -1.89 2.33 -2.30 -1.32 0.00 0.00 175.29 172.26 1rt3 n PRO 243 N -3.38 0.00 -3.26 9.60 -0.02 -1.26 -4.89 135.00 131.79 1rt3 n PRO 243 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 1rt3 n PRO 243 Cb 0.52 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.63 1rt3 n PRO 243 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1rt3 s ILE 244 N 7.61 5.01 -0.24 4.25 2.07 -1.26 -5.04 121.20 133.59 1rt3 s ILE 244 Ca 1.18 -0.21 -0.08 0.00 -1.41 0.00 0.00 60.65 60.13 1rt3 s ILE 244 Cb -1.09 -4.09 -0.03 0.00 0.13 0.00 0.00 42.46 37.38 1rt3 s ILE 244 CO 0.43 -0.47 0.08 0.54 -1.91 0.00 0.00 174.94 173.60 1rt3 s VAL 245 N 2.34 4.48 -0.25 4.00 0.11 -1.26 -5.01 120.40 124.82 1rt3 s VAL 245 Ca 0.15 -0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 1rt3 s VAL 245 Cb -0.16 -3.09 -0.00 0.00 -1.53 0.00 0.00 36.38 31.60 1rt3 s VAL 245 CO 0.15 0.35 0.82 -0.76 -3.33 0.00 0.00 175.10 172.33 1rt3 s LEU 246 N 1.45 4.08 0.51 2.54 1.43 -1.26 -5.02 118.68 122.41 1rt3 s LEU 246 Ca 0.06 1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 1rt3 s LEU 246 Cb -0.15 -3.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.83 1rt3 s LEU 246 CO 0.04 -0.52 1.34 -2.65 0.23 0.00 0.00 176.35 174.79 1rt3 n PRO 247 N 6.02 1.78 -3.08 1.29 -0.02 -1.26 -4.93 135.00 134.80 1rt3 n PRO 247 Ca 0.05 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.82 1rt3 n PRO 247 Cb 0.48 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1rt3 n PRO 247 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1rt3 n GLU 248 N -0.71 3.88 -2.08 -0.52 4.07 -1.26 -5.04 120.64 118.98 1rt3 n GLU 248 Ca 0.09 -4.65 -0.27 0.00 -0.06 0.00 0.00 57.16 52.27 1rt3 n GLU 248 Cb 0.43 -2.40 0.08 0.00 -0.06 0.00 0.00 31.44 29.50 1rt3 n GLU 248 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1rt3 s LYS 249 N -3.00 2.04 -0.18 5.31 1.02 -1.26 -5.03 119.74 118.66 1rt3 s LYS 249 Ca 0.37 -0.12 -0.05 0.00 0.02 0.00 0.00 55.97 56.19 1rt3 s LYS 249 Cb 0.13 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1rt3 s LYS 249 CO 0.01 -1.42 -0.20 -0.25 -0.92 0.00 0.00 175.35 172.57 1rt3 n ASP 250 N -3.11 1.87 -4.38 2.83 9.92 -1.26 -4.95 116.55 117.48 1rt3 n ASP 250 Ca 0.08 0.09 -0.34 0.00 -0.53 0.00 0.00 54.79 54.09 1rt3 n ASP 250 Cb 0.61 -0.42 -0.14 0.00 -0.64 0.00 0.00 41.12 40.53 1rt3 n ASP 250 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1rt3 s SER 251 N -6.21 4.33 -0.28 -2.24 0.01 -1.26 -4.95 113.70 103.09 1rt3 s SER 251 Ca -0.24 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 1rt3 s SER 251 Cb 0.08 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1rt3 s SER 251 CO 0.35 0.09 0.07 0.26 0.41 0.00 0.00 173.24 174.41 1rt3 s TRP 252 N 0.83 3.13 0.62 2.43 0.52 -1.26 -5.04 118.94 120.16 1rt3 s TRP 252 Ca -0.02 -0.93 -0.14 0.00 0.02 0.00 0.00 56.10 55.03 1rt3 s TRP 252 Cb -0.15 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1rt3 s TRP 252 CO 0.01 -0.55 1.06 0.99 0.02 0.00 0.00 176.95 178.48 1rt3 s THR 253 N 1.51 3.86 0.11 2.01 2.01 -1.26 -1.34 115.64 122.54 1rt3 s THR 253 Ca 0.03 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 1rt3 s THR 253 Cb -0.17 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1rt3 s THR 253 CO 0.02 -0.60 1.67 0.58 -0.69 0.00 0.00 174.62 175.59 1rt3 h VAL 254 N 0.10 0.58 -0.63 3.82 2.07 -0.47 0.72 116.25 122.44 1rt3 h VAL 254 Ca -0.46 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.18 1rt3 h VAL 254 Cb 1.22 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 1rt3 h VAL 254 CO 0.57 0.00 0.17 -1.13 0.02 0.00 0.00 177.57 177.20 1rt3 h ASN 255 N -0.34 0.08 -0.36 0.57 -0.73 -1.65 -0.39 115.58 112.75 1rt3 h ASN 255 Ca 0.03 0.11 0.05 0.00 1.87 0.00 0.00 56.30 58.36 1rt3 h ASN 255 Cb 0.37 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.04 1rt3 h ASN 255 CO -0.12 0.04 0.08 0.44 -0.37 0.00 0.00 177.43 177.50 1rt3 h ASP 256 N 0.31 0.02 -0.99 1.15 3.32 -1.51 0.06 116.42 118.78 1rt3 h ASP 256 Ca 0.33 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.47 1rt3 h ASP 256 Cb 0.49 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1rt3 h ASP 256 CO -0.39 0.05 0.65 0.40 -1.72 0.00 0.00 179.24 178.23 1rt3 h ILE 257 N 0.20 1.20 -0.12 0.35 2.04 0.69 0.57 117.51 122.44 1rt3 h ILE 257 Ca 0.17 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1rt3 h ILE 257 Cb 0.20 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1rt3 h ILE 257 CO -0.22 0.23 0.03 1.56 0.00 0.00 0.00 178.15 179.75 1rt3 h GLN 258 N 1.28 0.20 -0.37 2.37 4.20 -0.03 0.63 115.11 123.39 1rt3 h GLN 258 Ca 0.39 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.10 1rt3 h GLN 258 Cb -0.04 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 1rt3 h GLN 258 CO -0.11 0.38 0.09 0.87 -0.67 0.00 0.00 178.83 179.38 1rt3 h LYS 259 N -0.02 0.21 0.15 1.46 1.79 -0.51 -0.26 116.57 119.39 1rt3 h LYS 259 Ca 0.04 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1rt3 h LYS 259 Cb 0.27 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1rt3 h LYS 259 CO 0.00 0.14 -0.35 1.25 -1.08 0.00 0.00 179.45 179.41 1rt3 h LEU 260 N 0.22 -1.01 -0.77 2.94 5.85 -0.66 -1.05 115.31 120.83 1rt3 h LEU 260 Ca 0.17 0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.13 1rt3 h LEU 260 Cb 0.19 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1rt3 h LEU 260 CO -0.22 -0.44 0.37 0.58 -0.34 0.00 0.00 178.44 178.39 1rt3 h VAL 261 N -0.60 0.76 0.37 1.05 2.07 -0.28 -0.61 116.25 119.01 1rt3 h VAL 261 Ca 0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1rt3 h VAL 261 Cb 0.61 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1rt3 h VAL 261 CO -0.19 0.10 -0.27 1.23 0.02 0.00 0.00 177.57 178.47 1rt3 h GLY 262 N 0.57 -0.66 0.02 2.17 0.00 -0.34 -1.30 103.07 103.52 1rt3 h GLY 262 Ca 0.40 0.30 0.08 0.00 0.00 0.00 0.00 47.33 48.11 1rt3 h GLY 262 CO -0.34 -0.25 -0.22 0.50 0.00 0.00 0.00 176.54 176.23 1rt3 h LYS 263 N -0.63 -0.15 -0.77 4.80 1.57 -0.48 -0.79 116.57 120.13 1rt3 h LYS 263 Ca -0.03 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.92 1rt3 h LYS 263 Cb 0.54 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1rt3 h LYS 263 CO 0.01 -0.10 0.26 -0.07 -0.57 0.00 0.00 179.45 178.98 1rt3 h LEU 264 N -0.16 0.17 -0.77 2.94 4.07 -0.72 0.39 115.31 121.23 1rt3 h LEU 264 Ca 0.18 0.13 -0.07 0.00 0.08 0.00 0.00 57.88 58.21 1rt3 h LEU 264 Cb 0.44 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1rt3 h LEU 264 CO -0.47 0.02 0.14 0.78 -1.08 0.00 0.00 178.44 177.84 1rt3 h ASN 265 N 0.36 1.02 -1.00 -0.43 4.21 -0.01 -2.20 115.58 117.52 1rt3 h ASN 265 Ca 0.44 -0.22 0.07 0.00 1.21 0.00 0.00 56.30 57.80 1rt3 h ASN 265 Cb 0.74 -0.27 -0.07 0.00 -1.12 0.00 0.00 38.32 37.60 1rt3 h ASN 265 CO -0.47 0.99 0.65 -0.25 -1.29 0.00 0.00 177.43 177.05 1rt3 h TRP 266 N 1.01 1.19 -0.09 1.19 2.91 0.05 -1.61 115.95 120.60 1rt3 h TRP 266 Ca 0.21 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 60.14 1rt3 h TRP 266 Cb 0.38 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 1rt3 h TRP 266 CO 0.03 0.61 -0.47 0.00 -1.03 0.00 0.00 178.44 177.58 1rt3 h ALA 267 N 1.46 1.05 -0.34 2.65 0.00 -0.91 -3.19 119.26 119.98 1rt3 h ALA 267 Ca 0.43 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1rt3 h ALA 267 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rt3 h ALA 267 CO -0.17 0.63 0.46 0.77 0.00 0.00 0.00 179.25 180.94 1rt3 h SER 268 N 0.17 0.00 0.39 0.00 0.02 -0.69 0.27 113.55 113.71 1rt3 h SER 268 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1rt3 h SER 268 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1rt3 h SER 268 CO 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1rt3 n GLN 269 N -3.49 0.03 0.00 3.45 10.64 -1.21 -3.41 117.38 123.40 1rt3 n GLN 269 Ca 0.06 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 1rt3 n GLN 269 Cb 0.61 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1rt3 n GLN 269 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1rt3 n ILE 270 N -1.46 0.00 -2.67 -0.39 0.13 -0.30 -0.76 119.36 113.92 1rt3 n ILE 270 Ca 0.03 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.26 1rt3 n ILE 270 Cb 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.91 1rt3 n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 1rt3 s TYR 271 N -1.00 2.70 0.69 9.51 2.02 0.79 -4.74 117.35 127.31 1rt3 s TYR 271 Ca 0.00 0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.89 1rt3 s TYR 271 Cb 0.00 -4.35 0.01 0.00 -0.40 0.00 0.00 41.96 37.22 1rt3 s TYR 271 CO 0.00 -1.46 1.08 -2.14 -1.57 0.00 0.00 175.55 171.46 1rt3 s PRO 272 N 4.56 2.75 0.00 -1.71 0.02 -1.26 -3.67 135.00 135.69 1rt3 s PRO 272 Ca 0.39 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1rt3 s PRO 272 Cb -0.09 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1rt3 s PRO 272 CO 0.24 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 1rt3 n GLY 273 N -1.14 1.74 3.67 0.52 0.00 -1.26 -4.99 105.19 103.73 1rt3 n GLY 273 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1rt3 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rt3 s ILE 274 N -3.58 3.39 0.03 -0.61 -1.09 -1.24 -4.94 121.20 113.16 1rt3 s ILE 274 Ca 0.00 0.59 0.07 0.00 -2.23 0.00 0.00 60.65 59.08 1rt3 s ILE 274 Cb 0.00 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 1rt3 s ILE 274 CO 0.00 -0.04 -0.21 -0.54 -1.23 0.00 0.00 174.94 172.92 1rt3 s LYS 275 N 3.68 1.52 0.00 2.79 1.02 -1.26 -4.97 119.74 122.51 1rt3 s LYS 275 Ca 0.75 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1rt3 s LYS 275 Cb -0.36 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1rt3 s LYS 275 CO 0.32 0.42 0.14 1.33 -0.92 0.00 0.00 175.35 176.63 1rt3 n VAL 276 N 2.01 0.00 -0.39 3.17 0.24 -1.26 -4.90 118.33 117.20 1rt3 n VAL 276 Ca -0.17 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 1rt3 n VAL 276 Cb 0.53 1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 34.10 1rt3 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1rt3 h ARG 277 N 0.00 -0.02 -0.87 7.34 2.43 -2.02 -0.38 114.38 120.86 1rt3 h ARG 277 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1rt3 h ARG 277 Cb 0.13 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1rt3 h ARG 277 CO 0.00 -0.02 0.56 1.96 -1.51 0.00 0.00 179.97 180.97 1rt3 h GLN 278 N -0.02 1.05 -1.22 0.20 1.08 -1.93 -1.52 115.11 112.75 1rt3 h GLN 278 Ca 0.20 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1rt3 h GLN 278 Cb 0.47 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1rt3 h GLN 278 CO -0.93 0.70 0.00 1.28 -0.95 0.00 0.00 178.83 178.93 1rt3 n LEU 279 N -4.54 0.33 0.00 1.46 7.99 -0.15 -2.88 117.00 119.21 1rt3 n LEU 279 Ca 0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 1rt3 n LEU 279 Cb 0.10 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1rt3 n LEU 279 CO 0.34 0.06 0.00 0.29 -1.51 0.00 0.00 177.39 176.57 1rt3 n LYS 281 N 0.74 0.00 0.27 3.23 5.02 -0.57 -3.97 118.16 122.88 1rt3 n LYS 281 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1rt3 n LYS 281 Cb 0.06 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 35.92 1rt3 n LYS 281 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rt3 h LEU 282 N 0.00 0.00 -0.12 -0.35 -0.00 -1.82 -1.59 115.31 111.42 1rt3 h LEU 282 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1rt3 h LEU 282 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1rt3 h LEU 282 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.62 1rt3 n LEU 283 N -3.19 0.81 -4.62 1.67 4.32 -1.25 -4.83 117.00 109.91 1rt3 n LEU 283 Ca 0.00 0.59 -0.48 0.00 -0.02 0.00 0.00 56.01 56.10 1rt3 n LEU 283 Cb 0.39 -0.36 -0.05 0.00 -1.62 0.00 0.00 43.42 41.78 1rt3 n LEU 283 CO 0.19 -0.25 1.61 0.54 -1.22 0.00 0.00 177.39 178.26 1rt3 n ARG 284 N -2.28 1.91 -1.52 3.23 1.74 -0.60 -1.67 116.66 117.47 1rt3 n ARG 284 Ca 0.05 0.65 -0.05 0.00 -0.77 0.00 0.00 57.85 57.73 1rt3 n ARG 284 Cb 0.40 -2.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.13 1rt3 n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rt3 n GLY 285 N 5.06 0.54 3.62 -0.13 0.00 -1.26 -4.97 105.19 108.04 1rt3 n GLY 285 Ca 0.28 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1rt3 n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rt3 s THR 286 N -2.22 3.56 -0.91 2.61 -4.23 -0.67 -4.88 115.64 108.89 1rt3 s THR 286 Ca 0.00 0.61 0.27 0.00 -1.18 0.00 0.00 61.69 61.39 1rt3 s THR 286 Cb 0.00 -3.64 0.20 0.00 1.34 0.00 0.00 72.50 70.41 1rt3 s THR 286 CO 0.00 -0.33 1.78 2.29 -0.54 0.00 0.00 174.62 177.82 1rt3 n LYS 287 N 8.01 0.08 -3.57 3.99 2.85 -1.26 -4.91 118.16 123.36 1rt3 n LYS 287 Ca 0.21 0.06 -0.15 0.00 -1.05 0.00 0.00 58.31 57.37 1rt3 n LYS 287 Cb 0.46 -1.58 -0.06 0.00 -0.65 0.00 0.00 35.03 33.19 1rt3 n LYS 287 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rt3 s ALA 288 N -3.03 -1.81 0.21 0.58 0.00 -1.26 -5.00 121.76 111.45 1rt3 s ALA 288 Ca 0.12 1.60 0.35 0.00 0.00 0.00 0.00 51.96 54.04 1rt3 s ALA 288 Cb 0.17 -0.55 1.71 0.00 0.00 0.00 0.00 23.12 24.45 1rt3 s ALA 288 CO 0.58 -0.34 2.07 -0.07 0.00 0.00 0.00 175.76 178.00 1rt3 h LEU 289 N 3.62 0.00 -0.05 0.00 4.07 -1.97 -1.78 115.31 119.20 1rt3 h LEU 289 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1rt3 h LEU 289 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1rt3 h LEU 289 CO 0.26 0.00 -0.64 0.35 -1.08 0.00 0.00 178.44 177.33 1rt3 n THR 290 N -2.90 0.00 -2.05 0.22 -2.24 -1.26 -1.89 114.28 104.16 1rt3 n THR 290 Ca -0.01 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1rt3 n THR 290 Cb 0.18 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1rt3 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1rt3 s GLU 291 N -2.96 3.80 -0.20 -0.78 2.12 -0.67 -4.71 118.70 115.30 1rt3 s GLU 291 Ca 0.11 2.09 -0.06 0.00 0.36 0.00 0.00 54.97 57.46 1rt3 s GLU 291 Cb 0.17 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1rt3 s GLU 291 CO 0.74 -0.61 0.04 0.08 -0.54 0.00 0.00 175.26 174.96 1rt3 s VAL 292 N -1.33 4.36 -0.19 3.70 1.01 -1.26 -0.01 120.40 126.68 1rt3 s VAL 292 Ca 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1rt3 s VAL 292 Cb -0.36 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1rt3 s VAL 292 CO 0.46 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 175.24 1rt3 s ILE 293 N 0.78 2.78 0.06 2.22 1.09 -0.45 -4.98 121.20 122.70 1rt3 s ILE 293 Ca 0.02 -0.70 -0.31 0.00 -1.10 0.00 0.00 60.65 58.56 1rt3 s ILE 293 Cb -0.14 -2.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.98 1rt3 s ILE 293 CO 0.02 0.48 1.31 -2.16 -0.10 0.00 0.00 174.94 174.49 1rt3 s PRO 294 N 1.28 4.35 0.39 2.79 0.04 -1.26 -4.36 135.00 138.24 1rt3 s PRO 294 Ca 0.03 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.72 1rt3 s PRO 294 Cb -0.14 -3.37 -0.10 0.00 0.04 0.00 0.00 34.50 30.93 1rt3 s PRO 294 CO -0.06 -0.40 1.42 -0.51 0.04 0.00 0.00 177.00 177.48 1rt3 s LEU 295 N 1.44 4.26 0.45 -3.56 1.43 -1.26 -5.01 118.68 116.43 1rt3 s LEU 295 Ca 0.62 2.91 -0.10 0.00 -1.03 0.00 0.00 54.13 56.52 1rt3 s LEU 295 Cb -0.32 -3.77 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 1rt3 s LEU 295 CO 0.28 -0.90 0.82 -0.89 0.23 0.00 0.00 176.35 175.89 1rt3 s THR 296 N -1.17 4.78 0.38 5.49 2.01 -1.26 -4.83 115.64 121.04 1rt3 s THR 296 Ca 0.55 0.62 0.15 0.00 0.31 0.00 0.00 61.69 63.32 1rt3 s THR 296 Cb -0.44 -3.77 0.36 0.00 0.01 0.00 0.00 72.50 68.67 1rt3 s THR 296 CO 0.58 -0.67 1.79 1.05 -0.69 0.00 0.00 174.62 176.68 1rt3 h GLU 297 N 0.86 0.48 -0.28 4.92 4.11 -1.99 0.26 114.58 122.94 1rt3 h GLU 297 Ca -0.47 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 1rt3 h GLU 297 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1rt3 h GLU 297 CO 0.63 0.31 0.05 0.93 0.07 0.00 0.00 179.01 181.00 1rt3 h GLU 298 N 0.49 0.46 -0.86 1.06 3.07 -1.99 -0.88 114.58 115.93 1rt3 h GLU 298 Ca 0.56 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 1rt3 h GLU 298 Cb 1.28 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.09 1rt3 h GLU 298 CO -0.30 0.57 0.44 0.00 -1.40 0.00 0.00 179.01 178.33 1rt3 h ALA 299 N 0.87 1.16 -0.47 3.43 0.00 -0.96 0.17 119.26 123.47 1rt3 h ALA 299 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1rt3 h ALA 299 Cb 0.33 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1rt3 h ALA 299 CO 0.01 0.65 0.28 0.93 0.00 0.00 0.00 179.25 181.12 1rt3 h GLU 300 N 1.21 0.54 -0.60 0.00 4.39 -0.43 0.17 114.58 119.87 1rt3 h GLU 300 Ca 0.30 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 1rt3 h GLU 300 Cb 0.07 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1rt3 h GLU 300 CO -0.04 0.36 0.12 -0.07 -1.16 0.00 0.00 179.01 178.21 1rt3 h LEU 301 N 0.56 0.94 -0.41 1.33 4.07 -0.42 -0.44 115.31 120.95 1rt3 h LEU 301 Ca 0.19 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1rt3 h LEU 301 Cb 0.01 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 1rt3 h LEU 301 CO -0.08 0.95 -0.02 -0.08 -1.08 0.00 0.00 178.44 178.13 1rt3 h GLU 302 N 0.89 0.74 -0.39 1.13 4.81 -0.12 0.72 114.58 122.36 1rt3 h GLU 302 Ca 0.19 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1rt3 h GLU 302 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1rt3 h GLU 302 CO 0.01 0.83 0.03 1.25 -0.73 0.00 0.00 179.01 180.40 1rt3 h LEU 303 N 0.56 0.65 0.04 1.64 6.46 -0.55 0.24 115.31 124.35 1rt3 h LEU 303 Ca 0.11 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1rt3 h LEU 303 Cb 0.50 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1rt3 h LEU 303 CO 0.02 0.77 -0.02 0.00 -0.62 0.00 0.00 178.44 178.60 1rt3 h ALA 304 N 0.90 -0.05 -0.48 1.25 0.00 -0.96 0.87 119.26 120.79 1rt3 h ALA 304 Ca 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1rt3 h ALA 304 Cb 0.42 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1rt3 h ALA 304 CO 0.01 -0.47 0.24 1.49 0.00 0.00 0.00 179.25 180.52 1rt3 h GLU 305 N -0.17 0.46 -0.29 0.00 4.81 -0.74 -0.42 114.58 118.22 1rt3 h GLU 305 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1rt3 h GLU 305 Cb 0.15 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1rt3 h GLU 305 CO 0.01 0.30 0.19 -0.91 -0.73 0.00 0.00 179.01 177.87 1rt3 h ASN 306 N 0.47 0.34 -0.75 1.04 2.35 -0.79 -2.10 115.58 116.14 1rt3 h ASN 306 Ca 0.21 -0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.08 1rt3 h ASN 306 Cb 0.12 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.32 1rt3 h ASN 306 CO -0.15 0.25 0.31 -0.09 -1.65 0.00 0.00 177.43 176.10 1rt3 h ARG 307 N 0.39 0.45 -0.31 0.81 2.43 0.24 -1.17 114.38 117.23 1rt3 h ARG 307 Ca 0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1rt3 h ARG 307 Cb -0.04 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1rt3 h ARG 307 CO -0.02 0.30 0.11 1.49 -1.51 0.00 0.00 179.97 180.33 1rt3 h GLU 308 N 0.46 0.47 -1.00 0.20 4.81 -0.64 -2.75 114.58 116.14 1rt3 h GLU 308 Ca 0.40 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.58 1rt3 h GLU 308 Cb 0.59 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1rt3 h GLU 308 CO -0.38 0.51 0.65 0.82 -0.73 0.00 0.00 179.01 179.87 1rt3 h ILE 309 N 0.34 1.17 0.00 2.32 2.04 -0.65 -1.33 117.51 121.40 1rt3 h ILE 309 Ca 0.10 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1rt3 h ILE 309 Cb 0.22 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1rt3 h ILE 309 CO -0.00 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.55 1rt3 n LEU 310 N -4.44 0.00 -0.99 1.44 4.77 -0.53 -3.41 117.00 113.83 1rt3 n LEU 310 Ca 0.14 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1rt3 n LEU 310 Cb 0.10 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1rt3 n LEU 310 CO 0.34 0.00 0.67 1.17 -1.33 0.00 0.00 177.39 178.24 1rt3 n LYS 311 N -0.60 2.35 -3.79 3.23 3.00 -0.50 -4.71 118.16 117.14 1rt3 n LYS 311 Ca 0.04 -1.99 -0.30 0.00 -0.00 0.00 0.00 58.31 56.07 1rt3 n LYS 311 Cb 0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 35.03 33.43 1rt3 n LYS 311 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1rt3 s GLU 312 N -1.84 1.16 -0.52 1.64 -1.05 -1.22 -5.05 118.70 111.81 1rt3 s GLU 312 Ca 0.32 -1.69 -0.05 0.00 -0.15 0.00 0.00 54.97 53.39 1rt3 s GLU 312 Cb 0.21 -2.43 -0.17 0.00 -0.44 0.00 0.00 34.13 31.29 1rt3 s GLU 312 CO 0.31 -1.06 1.61 -2.30 0.95 0.00 0.00 175.26 174.77 1rt3 n PRO 313 N 4.11 0.01 -1.82 -4.83 -0.02 -1.26 -4.90 135.00 126.30 1rt3 n PRO 313 Ca 0.04 -0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1rt3 n PRO 313 Cb 0.38 -1.12 0.03 0.00 -0.02 0.00 0.00 33.50 32.77 1rt3 n PRO 313 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rt3 s VAL 314 N 0.67 3.95 -0.03 -1.45 -7.23 -1.26 -5.06 120.40 109.99 1rt3 s VAL 314 Ca 0.67 0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 61.61 1rt3 s VAL 314 Cb -0.41 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.15 1rt3 s VAL 314 CO 0.28 -0.69 0.06 -1.00 -0.31 0.00 0.00 175.10 173.43 1rt3 s HIS 315 N -2.76 -0.00 0.43 2.82 3.76 -1.26 -4.76 115.29 113.51 1rt3 s HIS 315 Ca 0.61 0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 55.52 1rt3 s HIS 315 Cb -0.15 -0.25 -0.10 0.00 1.11 0.00 0.00 32.58 33.20 1rt3 s HIS 315 CO 0.46 -0.12 0.98 0.20 -0.85 0.00 0.00 174.74 175.41 1rt3 s GLY 316 N 1.27 2.50 0.46 -2.22 0.00 0.87 -4.87 107.32 105.33 1rt3 s GLY 316 Ca -0.07 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.09 1rt3 s GLY 316 CO -0.04 0.81 0.76 0.14 0.00 0.00 0.00 173.10 174.78 1rt3 s VAL 317 N -2.02 4.92 0.73 1.40 1.01 -0.58 -2.15 120.40 123.70 1rt3 s VAL 317 Ca 0.62 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1rt3 s VAL 317 Cb -0.13 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.51 1rt3 s VAL 317 CO 0.17 -0.80 1.00 -0.31 0.00 0.00 0.00 175.10 175.17 1rt3 s TYR 318 N -2.68 1.79 0.19 5.22 2.02 -1.26 -4.38 117.35 118.25 1rt3 s TYR 318 Ca 0.47 -0.15 -0.25 0.00 -0.37 0.00 0.00 57.07 56.77 1rt3 s TYR 318 Cb -0.10 -3.08 -0.08 0.00 -0.40 0.00 0.00 41.96 38.29 1rt3 s TYR 318 CO 0.43 -1.70 0.79 -0.47 -1.57 0.00 0.00 175.55 173.03 1rt3 s TYR 319 N -3.18 3.85 -0.31 2.71 5.04 0.98 -4.89 117.35 121.55 1rt3 s TYR 319 Ca 0.66 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.92 1rt3 s TYR 319 Cb -0.06 -2.77 0.10 0.00 0.35 0.00 0.00 41.96 39.58 1rt3 s TYR 319 CO 0.45 0.46 0.07 0.34 -1.34 0.00 0.00 175.55 175.52 1rt3 s ASP 320 N -1.28 4.23 0.41 4.32 -1.08 -1.26 -4.00 116.67 118.02 1rt3 s ASP 320 Ca 0.39 -1.76 0.19 0.00 -0.52 0.00 0.00 52.55 50.85 1rt3 s ASP 320 Cb -0.22 -1.13 1.06 0.00 -1.46 0.00 0.00 42.92 41.17 1rt3 s ASP 320 CO 0.25 -0.39 1.54 -0.65 0.52 0.00 0.00 175.17 176.44 1rt3 h PRO 321 N 7.93 0.00 0.00 4.34 0.11 -1.99 0.29 132.00 142.68 1rt3 h PRO 321 Ca -0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1rt3 h PRO 321 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1rt3 h PRO 321 CO 0.48 0.00 -0.35 0.66 -0.21 0.00 0.00 178.00 178.58 1rt3 h SER 322 N 0.00 0.00 -3.19 -2.05 4.64 -2.04 -3.46 113.55 107.45 1rt3 h SER 322 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1rt3 h SER 322 Cb 0.49 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.48 1rt3 h SER 322 CO 0.00 0.26 -0.62 -0.54 -0.87 0.00 0.00 176.83 175.06 1rt3 s LYS 323 N -3.09 2.78 0.54 4.77 -0.14 0.09 -5.11 119.74 119.58 1rt3 s LYS 323 Ca 0.05 -0.75 -0.17 0.00 -1.36 0.00 0.00 55.97 53.73 1rt3 s LYS 323 Cb 0.07 -2.66 -0.06 0.00 -1.68 0.00 0.00 37.83 33.49 1rt3 s LYS 323 CO 0.72 0.55 1.04 -0.51 -0.76 0.00 0.00 175.35 176.39 1rt3 s ASP 324 N -2.43 6.10 -0.27 2.83 1.01 -1.26 -4.84 116.67 117.82 1rt3 s ASP 324 Ca 0.28 1.82 -0.19 0.00 0.71 0.00 0.00 52.55 55.17 1rt3 s ASP 324 Cb -0.12 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 1rt3 s ASP 324 CO 0.21 -0.94 0.58 -0.76 0.21 0.00 0.00 175.17 174.47 1rt3 s LEU 325 N -4.09 4.08 -0.18 1.23 1.43 -1.26 -4.34 118.68 115.55 1rt3 s LEU 325 Ca 0.64 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1rt3 s LEU 325 Cb -0.15 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1rt3 s LEU 325 CO 0.30 -0.36 -0.08 -0.63 0.23 0.00 0.00 176.35 175.81 1rt3 s ILE 326 N 2.45 3.21 -0.13 -0.59 -1.09 0.80 -0.70 121.20 125.15 1rt3 s ILE 326 Ca 0.24 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1rt3 s ILE 326 Cb -0.15 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1rt3 s ILE 326 CO 0.09 0.47 -0.09 0.00 -1.23 0.00 0.00 174.94 174.19 1rt3 s ALA 327 N 0.97 2.80 0.04 9.38 0.00 -0.35 -0.13 121.76 134.48 1rt3 s ALA 327 Ca -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1rt3 s ALA 327 Cb -0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1rt3 s ALA 327 CO -0.00 0.28 -0.23 -2.00 0.00 0.00 0.00 175.76 173.81 1rt3 s GLU 328 N 0.21 1.52 -0.02 0.00 2.12 -0.51 -0.59 118.70 121.42 1rt3 s GLU 328 Ca -0.05 -1.00 0.04 0.00 0.36 0.00 0.00 54.97 54.32 1rt3 s GLU 328 Cb -0.15 -1.65 -0.01 0.00 0.26 0.00 0.00 34.13 32.58 1rt3 s GLU 328 CO 0.04 0.42 -0.14 0.42 -0.54 0.00 0.00 175.26 175.46 1rt3 s ILE 329 N -0.80 1.16 0.03 -3.70 1.01 -1.09 -1.82 121.20 115.99 1rt3 s ILE 329 Ca 0.09 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1rt3 s ILE 329 Cb -0.09 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1rt3 s ILE 329 CO 0.02 0.33 -0.08 -1.10 0.00 0.00 0.00 174.94 174.11 1rt3 s GLN 330 N -0.20 0.54 -0.42 2.79 1.11 0.12 -4.26 119.66 119.34 1rt3 s GLN 330 Ca 0.03 -0.65 -0.23 0.00 0.01 0.00 0.00 55.36 54.52 1rt3 s GLN 330 Cb -0.07 -0.37 0.02 0.00 -1.01 0.00 0.00 33.01 31.58 1rt3 s GLN 330 CO 0.00 0.08 0.77 0.21 0.01 0.00 0.00 175.29 176.35 1rt3 s LYS 331 N -1.26 3.52 0.02 2.91 2.20 -1.26 0.16 119.74 126.03 1rt3 s LYS 331 Ca -0.07 0.01 -0.10 0.00 -0.36 0.00 0.00 55.97 55.46 1rt3 s LYS 331 Cb -0.08 -3.89 -0.32 0.00 -1.51 0.00 0.00 37.83 32.03 1rt3 s LYS 331 CO 0.00 -1.01 0.94 0.37 -0.36 0.00 0.00 175.35 175.30 1rt3 h GLN 332 N 8.79 0.40 0.00 4.03 4.15 -0.76 -3.44 115.11 128.28 1rt3 h GLN 332 Ca -0.25 -0.68 0.11 0.00 0.77 0.00 0.00 58.65 58.60 1rt3 h GLN 332 Cb 1.09 0.25 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 1rt3 h GLN 332 CO 0.93 1.31 0.51 0.41 -1.93 0.00 0.00 178.83 180.06 1rt3 n GLY 333 N 1.69 0.69 3.55 2.39 0.00 -0.92 -4.98 105.19 107.62 1rt3 n GLY 333 Ca -0.16 -1.18 -0.46 0.00 0.00 0.00 0.00 46.02 44.21 1rt3 n GLY 333 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rt3 n GLN 334 N -0.68 1.67 0.00 1.61 7.27 -1.26 -0.94 117.38 125.05 1rt3 n GLN 334 Ca -0.04 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1rt3 n GLN 334 Cb 0.59 -2.92 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1rt3 n GLN 334 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rt3 n GLY 335 N 5.95 3.07 3.70 1.69 0.00 -1.26 -5.01 105.19 113.33 1rt3 n GLY 335 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 1rt3 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rt3 s GLN 336 N -0.30 4.31 -0.11 1.61 1.11 -0.11 -4.11 119.66 122.06 1rt3 s GLN 336 Ca 0.00 0.53 -0.01 0.00 0.01 0.00 0.00 55.36 55.89 1rt3 s GLN 336 Cb 0.00 -3.48 0.03 0.00 -1.01 0.00 0.00 33.01 28.55 1rt3 s GLN 336 CO 0.00 0.04 -0.06 -1.58 0.01 0.00 0.00 175.29 173.70 1rt3 s TRP 337 N 0.99 1.34 0.16 0.91 0.52 0.40 0.01 118.94 123.27 1rt3 s TRP 337 Ca 0.28 -0.64 -0.10 0.00 0.02 0.00 0.00 56.10 55.66 1rt3 s TRP 337 Cb -0.16 -1.16 -0.06 0.00 -1.15 0.00 0.00 33.47 30.94 1rt3 s TRP 337 CO 0.11 -0.48 0.48 0.95 0.02 0.00 0.00 176.95 178.03 1rt3 s THR 338 N 1.73 5.00 0.06 2.01 -4.23 0.12 -0.22 115.64 120.12 1rt3 s THR 338 Ca 0.05 0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.89 1rt3 s THR 338 Cb -0.13 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1rt3 s THR 338 CO -0.07 0.10 0.25 -0.72 -0.54 0.00 0.00 174.62 173.64 1rt3 s TYR 339 N -1.61 0.00 -0.16 3.99 -0.85 0.28 0.13 117.35 119.12 1rt3 s TYR 339 Ca 0.41 -0.26 -0.12 0.00 -0.52 0.00 0.00 57.07 56.58 1rt3 s TYR 339 Cb -0.13 0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.29 1rt3 s TYR 339 CO 0.21 -0.51 0.42 1.14 -1.52 0.00 0.00 175.55 175.29 1rt3 s GLN 340 N -3.01 0.44 -0.23 -3.49 0.00 -0.75 -0.61 119.66 112.01 1rt3 s GLN 340 Ca -0.02 0.69 -0.05 0.00 -0.00 0.00 0.00 55.36 55.98 1rt3 s GLN 340 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 33.01 33.11 1rt3 s GLN 340 CO -0.06 -0.11 0.01 0.42 0.00 0.00 0.00 175.29 175.54 1rt3 s ILE 341 N 0.82 3.80 0.28 3.63 1.01 -0.51 -1.43 121.20 128.80 1rt3 s ILE 341 Ca -0.05 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1rt3 s ILE 341 Cb -0.06 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 1rt3 s ILE 341 CO -0.06 0.39 0.02 -0.72 0.00 0.00 0.00 174.94 174.57 1rt3 s TYR 342 N 1.48 1.79 -0.04 3.97 -0.85 0.82 -1.44 117.35 123.07 1rt3 s TYR 342 Ca 0.05 -0.92 -0.02 0.00 -0.52 0.00 0.00 57.07 55.66 1rt3 s TYR 342 Cb -0.15 -1.10 -0.02 0.00 0.38 0.00 0.00 41.96 41.08 1rt3 s TYR 342 CO 0.00 0.01 -0.05 1.04 -1.52 0.00 0.00 175.55 175.02 1rt3 n GLN 343 N -0.56 0.09 -3.72 -3.49 6.02 -1.26 -0.14 117.38 114.33 1rt3 n GLN 343 Ca -0.03 0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1rt3 n GLN 343 Cb 0.65 -0.74 -0.07 0.00 1.02 0.00 0.00 30.24 31.11 1rt3 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1rt3 s GLU 344 N -2.08 3.89 -0.25 -1.09 2.02 -1.26 -4.75 118.70 115.18 1rt3 s GLU 344 Ca -0.06 -0.05 -0.16 0.00 0.02 0.00 0.00 54.97 54.72 1rt3 s GLU 344 Cb 0.02 -3.31 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 1rt3 s GLU 344 CO 0.08 0.51 0.90 -2.30 0.02 0.00 0.00 175.26 174.47 1rt3 n PRO 345 N 2.76 0.00 -3.87 0.39 -0.02 -1.26 -1.15 135.00 131.84 1rt3 n PRO 345 Ca -0.16 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.03 1rt3 n PRO 345 Cb 0.53 -0.58 0.03 0.00 -0.02 0.00 0.00 33.50 33.46 1rt3 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1rt3 n PHE 346 N 3.26 -2.30 -3.37 6.00 3.72 -1.26 -4.95 117.46 118.56 1rt3 n PHE 346 Ca 0.23 0.91 -0.26 0.00 -0.05 0.00 0.00 57.45 58.27 1rt3 n PHE 346 Cb -0.01 -4.10 -0.10 0.00 -0.94 0.00 0.00 39.48 34.33 1rt3 n PHE 346 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rt3 s LYS 347 N -6.53 0.83 0.70 -1.08 -0.14 -0.30 -5.13 119.74 108.10 1rt3 s LYS 347 Ca 0.58 -1.88 -0.14 0.00 -1.36 0.00 0.00 55.97 53.17 1rt3 s LYS 347 Cb -0.29 -1.30 0.02 0.00 -1.68 0.00 0.00 37.83 34.58 1rt3 s LYS 347 CO 0.82 -1.35 1.14 0.54 -0.76 0.00 0.00 175.35 175.74 1rt3 s ASN 348 N 0.33 4.67 -0.13 2.83 4.22 -1.26 -4.05 114.94 121.55 1rt3 s ASN 348 Ca 0.30 2.11 0.13 0.00 -2.14 0.00 0.00 52.86 53.25 1rt3 s ASN 348 Cb -0.02 -2.56 -0.24 0.00 1.28 0.00 0.00 41.25 39.71 1rt3 s ASN 348 CO -0.15 -1.93 0.32 0.18 -2.04 0.00 0.00 177.10 173.48 1rt3 n LEU 349 N -2.67 0.76 -3.51 3.54 4.77 -0.52 -1.53 117.00 117.83 1rt3 n LEU 349 Ca 0.11 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1rt3 n LEU 349 Cb 0.51 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1rt3 n LEU 349 CO 0.48 0.51 0.35 -0.75 -1.33 0.00 0.00 177.39 176.65 1rt3 s LYS 350 N -2.54 1.28 0.21 3.23 2.20 -1.19 -4.32 119.74 118.61 1rt3 s LYS 350 Ca -0.10 -0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1rt3 s LYS 350 Cb 0.07 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.92 1rt3 s LYS 350 CO 0.81 -0.55 0.22 0.95 -0.36 0.00 0.00 175.35 176.41 1rt3 s THR 351 N -3.78 0.00 -0.06 3.43 -4.23 0.06 -1.43 115.64 109.63 1rt3 s THR 351 Ca 0.03 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 1rt3 s THR 351 Cb -0.01 -2.43 0.11 0.00 1.34 0.00 0.00 72.50 71.51 1rt3 s THR 351 CO -0.11 0.00 1.35 -0.83 -0.54 0.00 0.00 174.62 174.49 1rt3 s GLY 352 N -3.13 -0.24 0.26 3.99 0.00 0.22 -3.99 107.32 104.44 1rt3 s GLY 352 Ca 0.35 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.40 1rt3 s GLY 352 CO 0.11 5.16 -0.07 0.54 0.00 0.00 0.00 173.10 178.84 1rt3 s LYS 353 N -2.04 1.48 -0.05 2.90 1.02 -1.26 -0.56 119.74 121.23 1rt3 s LYS 353 Ca 0.28 -1.73 -0.02 0.00 0.02 0.00 0.00 55.97 54.52 1rt3 s LYS 353 Cb 0.01 -1.08 0.03 0.00 -0.52 0.00 0.00 37.83 36.27 1rt3 s LYS 353 CO -0.03 0.05 0.10 -0.47 -0.92 0.00 0.00 175.35 174.09 1rt3 s TYR 354 N -3.05 -0.09 0.00 3.18 5.04 0.69 -4.95 117.35 118.17 1rt3 s TYR 354 Ca 0.28 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1rt3 s TYR 354 Cb 0.03 -0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.22 1rt3 s TYR 354 CO 0.10 -0.13 0.00 0.00 -1.34 0.00 0.00 175.55 174.19 1rt3 n ALA 355 N 4.06 0.00 -1.52 3.97 0.00 -1.26 -0.45 120.51 125.32 1rt3 n ALA 355 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 1rt3 n ALA 355 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 1rt3 n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rt3 n ARG 356 N 0.00 0.38 -2.93 0.00 0.00 -1.26 -4.87 116.66 107.98 1rt3 n ARG 356 Ca 0.00 -0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.40 1rt3 n ARG 356 Cb 0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 32.46 30.28 1rt3 n ARG 356 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1rt3 s MET 357 N 8.68 3.12 -0.89 -0.14 -2.45 -1.26 -4.98 119.30 121.38 1rt3 s MET 357 Ca 1.22 -0.88 -0.19 0.00 -1.25 0.00 0.00 55.69 54.59 1rt3 s MET 357 Cb -0.84 -4.21 0.12 0.00 1.25 0.00 0.00 34.83 31.16 1rt3 s MET 357 CO 0.40 -1.68 1.09 1.03 1.05 0.00 0.00 175.02 176.91 1rt3 s ARG 358 N 3.66 3.52 0.00 4.11 0.52 -1.26 -4.86 118.95 124.65 1rt3 s ARG 358 Ca 0.20 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1rt3 s ARG 358 Cb -0.18 -4.81 0.00 0.00 0.52 0.00 0.00 34.95 30.48 1rt3 s ARG 358 CO 0.10 -1.77 0.00 0.41 0.02 0.00 0.00 175.30 174.07 1rt3 n GLY 359 N 5.46 3.30 0.06 -3.53 0.00 -1.26 -4.87 105.19 104.36 1rt3 n GLY 359 Ca 0.20 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.52 1rt3 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rt3 n ALA 360 N -0.86 1.98 -3.46 4.61 0.00 -1.26 -4.71 120.51 116.80 1rt3 n ALA 360 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1rt3 n ALA 360 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 1rt3 n ALA 360 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rt3 s HIS 361 N -3.11 -0.26 0.27 0.00 3.76 -1.26 -2.15 115.29 112.54 1rt3 s HIS 361 Ca 0.09 0.65 -0.05 0.00 -0.15 0.00 0.00 55.06 55.60 1rt3 s HIS 361 Cb 0.12 0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.87 1rt3 s HIS 361 CO 0.45 -0.17 0.44 0.25 -0.85 0.00 0.00 174.74 174.85 1rt3 n THR 362 N 3.69 0.00 -4.04 1.30 -2.24 -0.72 -4.98 114.28 107.29 1rt3 n THR 362 Ca -0.20 -1.13 -0.09 0.00 -2.27 0.00 0.00 64.05 60.35 1rt3 n THR 362 Cb 0.55 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 1rt3 n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rt3 s ASN 363 N -2.59 0.51 0.20 3.42 2.20 -1.26 -0.27 114.94 117.14 1rt3 s ASN 363 Ca 0.18 -0.68 -0.15 0.00 -0.94 0.00 0.00 52.86 51.27 1rt3 s ASN 363 Cb -0.02 0.11 0.20 0.00 -2.00 0.00 0.00 41.25 39.54 1rt3 s ASN 363 CO 0.13 -0.37 1.62 0.44 -2.94 0.00 0.00 177.10 175.99 1rt3 h ASP 364 N 4.10 -0.68 -0.43 3.54 3.32 -1.94 -0.27 116.42 124.06 1rt3 h ASP 364 Ca -0.34 0.19 0.09 0.00 0.02 0.00 0.00 57.03 56.99 1rt3 h ASP 364 Cb 1.19 0.41 -0.09 0.00 0.22 0.00 0.00 39.33 41.06 1rt3 h ASP 364 CO 0.49 -0.23 -0.14 0.58 -1.72 0.00 0.00 179.24 178.23 1rt3 h VAL 365 N -0.05 0.51 -0.58 -1.35 2.07 -1.94 0.99 116.25 115.91 1rt3 h VAL 365 Ca 0.28 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.70 1rt3 h VAL 365 Cb 0.47 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1rt3 h VAL 365 CO -0.63 0.00 -0.03 0.50 0.02 0.00 0.00 177.57 177.43 1rt3 h LYS 366 N -0.04 1.04 -0.40 1.57 3.64 -1.84 -0.64 116.57 119.90 1rt3 h LYS 366 Ca 0.21 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1rt3 h LYS 366 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1rt3 h LYS 366 CO -0.47 1.03 -0.16 0.37 -2.27 0.00 0.00 179.45 177.96 1rt3 h GLN 367 N 0.94 0.75 -0.17 1.90 4.15 0.56 -1.07 115.11 122.18 1rt3 h GLN 367 Ca 0.16 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1rt3 h GLN 367 Cb 0.59 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1rt3 h GLN 367 CO 0.04 0.86 0.06 1.25 -1.93 0.00 0.00 178.83 179.11 1rt3 h LEU 368 N 0.67 0.23 -0.28 -2.39 6.46 0.13 -0.46 115.31 119.67 1rt3 h LEU 368 Ca 0.11 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1rt3 h LEU 368 Cb 0.64 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.44 1rt3 h LEU 368 CO 0.05 0.35 -0.27 0.74 -0.62 0.00 0.00 178.44 178.69 1rt3 h THR 369 N 0.10 0.34 -0.96 1.05 2.02 -0.61 0.17 112.91 115.03 1rt3 h THR 369 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 1rt3 h THR 369 Cb 0.19 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1rt3 h THR 369 CO -0.00 0.00 0.60 -0.33 0.37 0.00 0.00 175.52 176.16 1rt3 h GLU 370 N -0.26 1.03 -0.14 6.66 5.08 -0.88 -0.38 114.58 125.69 1rt3 h GLU 370 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1rt3 h GLU 370 Cb 0.49 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1rt3 h GLU 370 CO -0.43 0.68 0.08 0.00 -1.00 0.00 0.00 179.01 178.34 1rt3 h ALA 371 N 1.46 0.18 -0.74 3.43 0.00 0.67 -1.32 119.26 122.93 1rt3 h ALA 371 Ca 0.43 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.40 1rt3 h ALA 371 Cb 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1rt3 h ALA 371 CO -0.20 -0.31 0.37 0.28 0.00 0.00 0.00 179.25 179.39 1rt3 h VAL 372 N 0.14 0.83 -0.14 0.00 2.07 0.59 -1.49 116.25 118.26 1rt3 h VAL 372 Ca 0.05 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1rt3 h VAL 372 Cb 0.04 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1rt3 h VAL 372 CO -0.01 0.11 0.06 -0.61 0.02 0.00 0.00 177.57 177.14 1rt3 h GLN 373 N 0.61 0.21 -0.48 1.57 5.75 -0.69 0.11 115.11 122.18 1rt3 h GLN 373 Ca 0.37 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.93 1rt3 h GLN 373 Cb 0.41 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.84 1rt3 h GLN 373 CO -0.29 0.28 -0.04 -0.22 -2.65 0.00 0.00 178.83 175.91 1rt3 h LYS 374 N 0.08 0.07 0.35 1.69 3.64 -0.42 0.14 116.57 122.12 1rt3 h LYS 374 Ca 0.05 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1rt3 h LYS 374 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1rt3 h LYS 374 CO -0.00 0.05 -0.17 0.82 -2.27 0.00 0.00 179.45 177.87 1rt3 h ILE 375 N 0.07 0.67 -0.64 2.00 2.04 -0.97 0.11 117.51 120.78 1rt3 h ILE 375 Ca 0.24 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 66.16 1rt3 h ILE 375 Cb 0.36 0.71 -0.11 0.00 -0.74 0.00 0.00 36.82 37.04 1rt3 h ILE 375 CO -0.44 0.02 -0.03 0.74 0.00 0.00 0.00 178.15 178.44 1rt3 h THR 376 N -0.50 0.44 0.25 -0.27 2.02 0.09 0.53 112.91 115.45 1rt3 h THR 376 Ca -0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1rt3 h THR 376 Cb 0.38 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1rt3 h THR 376 CO 0.08 0.02 -0.19 0.74 0.37 0.00 0.00 175.52 176.54 1rt3 h THR 377 N 0.09 0.60 -0.71 3.16 2.02 -0.43 -1.51 112.91 116.13 1rt3 h THR 377 Ca 0.33 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.64 1rt3 h THR 377 Cb 0.55 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 67.47 1rt3 h THR 377 CO -0.58 0.00 0.28 -0.08 0.37 0.00 0.00 175.52 175.51 1rt3 h GLU 378 N -0.44 0.43 -0.55 6.66 4.81 0.19 -0.84 114.58 124.84 1rt3 h GLU 378 Ca -0.02 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1rt3 h GLU 378 Cb 0.39 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1rt3 h GLU 378 CO -0.01 0.28 0.17 0.77 -0.73 0.00 0.00 179.01 179.50 1rt3 h SER 379 N 0.44 0.80 -0.07 1.04 0.02 0.26 -1.70 113.55 114.34 1rt3 h SER 379 Ca 0.38 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1rt3 h SER 379 Cb 0.53 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1rt3 h SER 379 CO -0.37 0.80 -0.14 0.40 -1.14 0.00 0.00 176.83 176.38 1rt3 h ILE 380 N 0.77 1.22 0.40 3.27 2.04 -0.23 0.51 117.51 125.49 1rt3 h ILE 380 Ca 0.18 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1rt3 h ILE 380 Cb 0.28 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1rt3 h ILE 380 CO -0.01 0.31 -0.19 0.58 0.00 0.00 0.00 178.15 178.84 1rt3 h VAL 381 N 0.38 0.43 -0.12 1.67 2.07 -0.86 0.17 116.25 119.99 1rt3 h VAL 381 Ca 0.07 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1rt3 h VAL 381 Cb 0.47 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1rt3 h VAL 381 CO 0.03 0.08 -0.33 0.40 0.02 0.00 0.00 177.57 177.77 1rt3 h ILE 382 N -0.96 1.38 -0.07 4.57 2.04 -1.26 -3.37 117.51 119.84 1rt3 h ILE 382 Ca -0.06 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1rt3 h ILE 382 Cb 0.55 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1rt3 h ILE 382 CO 0.09 0.49 0.00 0.79 0.00 0.00 0.00 178.15 179.52 1rt3 n TRP 383 N -4.38 0.08 -1.84 1.37 8.01 0.18 -4.67 117.44 116.18 1rt3 n TRP 383 Ca -0.07 -0.11 -0.20 0.00 -1.31 0.00 0.00 57.50 55.81 1rt3 n TRP 383 Cb 0.50 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.73 1rt3 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rt3 n GLY 384 N 0.46 1.14 3.40 6.99 0.00 0.61 -4.91 105.19 112.88 1rt3 n GLY 384 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1rt3 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rt3 s LYS 385 N -4.11 0.95 0.26 1.61 -2.85 -1.24 -4.90 119.74 109.46 1rt3 s LYS 385 Ca 0.00 -0.03 -0.21 0.00 -1.00 0.00 0.00 55.97 54.73 1rt3 s LYS 385 Cb 0.00 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 1rt3 s LYS 385 CO 0.00 -0.31 0.78 -0.08 0.10 0.00 0.00 175.35 175.84 1rt3 s THR 386 N -1.66 4.49 0.12 3.79 -1.32 -1.26 -3.33 115.64 116.46 1rt3 s THR 386 Ca -0.10 1.39 -0.10 0.00 -1.21 0.00 0.00 61.69 61.67 1rt3 s THR 386 Cb -0.02 -3.87 -0.06 0.00 -1.51 0.00 0.00 72.50 67.04 1rt3 s THR 386 CO 0.04 0.16 0.44 -2.16 -2.21 0.00 0.00 174.62 170.90 1rt3 s PRO 387 N -2.08 3.79 -0.10 7.08 0.04 -1.26 -4.80 135.00 137.67 1rt3 s PRO 387 Ca 0.46 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 1rt3 s PRO 387 Cb -0.17 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 1rt3 s PRO 387 CO 0.21 0.50 1.30 0.15 0.04 0.00 0.00 177.00 179.21 1rt3 s LYS 388 N -2.11 4.26 0.26 4.56 1.02 0.12 -4.71 119.74 123.14 1rt3 s LYS 388 Ca 0.37 1.75 -0.14 0.00 0.02 0.00 0.00 55.97 57.97 1rt3 s LYS 388 Cb -0.14 -3.71 -0.08 0.00 -0.52 0.00 0.00 37.83 33.38 1rt3 s LYS 388 CO 0.19 -0.64 0.66 -0.06 -0.92 0.00 0.00 175.35 174.59 1rt3 s PHE 389 N 3.08 3.45 -0.19 3.18 0.08 -0.64 -1.22 117.98 125.72 1rt3 s PHE 389 Ca 0.58 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.76 1rt3 s PHE 389 Cb -0.25 -2.45 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1rt3 s PHE 389 CO 0.19 0.21 -0.16 0.15 -0.10 0.00 0.00 175.22 175.52 1rt3 s LYS 390 N -2.69 2.57 0.03 0.44 1.02 0.24 -0.47 119.74 120.88 1rt3 s LYS 390 Ca 0.49 -0.89 0.08 0.00 0.02 0.00 0.00 55.97 55.67 1rt3 s LYS 390 Cb -0.12 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1rt3 s LYS 390 CO 0.19 -0.32 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.55 1rt3 s LEU 391 N 1.30 2.14 0.00 3.17 1.43 0.60 -2.67 118.68 124.65 1rt3 s LEU 391 Ca 0.01 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1rt3 s LEU 391 Cb -0.15 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1rt3 s LEU 391 CO -0.10 0.25 2.06 -0.81 0.23 0.00 0.00 176.35 177.97 1rt3 n PRO 392 N 1.98 1.04 -4.01 1.29 -0.04 -1.26 -0.92 135.00 133.08 1rt3 n PRO 392 Ca -0.17 -0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 1rt3 n PRO 392 Cb 0.52 -1.08 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 1rt3 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rt3 s ILE 393 N 0.12 0.26 0.03 0.52 2.07 -1.26 -0.48 121.20 122.45 1rt3 s ILE 393 Ca 0.04 -0.91 -0.18 0.00 -1.41 0.00 0.00 60.65 58.19 1rt3 s ILE 393 Cb 0.02 -0.37 -0.06 0.00 0.13 0.00 0.00 42.46 42.18 1rt3 s ILE 393 CO 0.00 -0.42 0.53 -1.10 -1.91 0.00 0.00 174.94 172.04 1rt3 s GLN 394 N -1.40 4.16 0.32 3.50 -0.21 -1.26 -4.49 119.66 120.28 1rt3 s GLN 394 Ca -0.13 0.64 0.07 0.00 0.02 0.00 0.00 55.36 55.96 1rt3 s GLN 394 Cb -0.09 -3.26 0.89 0.00 1.00 0.00 0.00 33.01 31.54 1rt3 s GLN 394 CO -0.00 0.58 1.62 0.87 -2.12 0.00 0.00 175.29 176.23 1rt3 h LYS 395 N 4.89 0.13 0.53 2.91 1.79 -1.99 -0.23 116.57 124.60 1rt3 h LYS 395 Ca -0.49 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 57.96 1rt3 h LYS 395 Cb 1.21 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1rt3 h LYS 395 CO 0.65 0.08 -0.44 1.49 -1.08 0.00 0.00 179.45 180.15 1rt3 h GLU 396 N 0.13 -0.91 -0.83 3.15 4.22 -1.99 0.24 114.58 118.59 1rt3 h GLU 396 Ca 0.64 0.06 0.18 0.00 0.08 0.00 0.00 59.36 60.32 1rt3 h GLU 396 Cb 1.42 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 30.77 1rt3 h GLU 396 CO -0.74 -0.61 0.35 1.15 -2.18 0.00 0.00 179.01 176.98 1rt3 h THR 397 N -0.95 0.57 0.84 0.32 2.02 -1.48 -0.10 112.91 114.13 1rt3 h THR 397 Ca -0.07 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1rt3 h THR 397 Cb 0.80 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1rt3 h THR 397 CO -0.01 0.08 -0.40 -0.25 0.37 0.00 0.00 175.52 175.31 1rt3 h TRP 398 N 0.43 -1.05 -0.96 3.16 2.91 -1.01 -2.83 115.95 116.61 1rt3 h TRP 398 Ca 0.49 -0.02 0.24 0.00 1.13 0.00 0.00 58.89 60.72 1rt3 h TRP 398 Cb 0.83 0.35 -0.12 0.00 -0.51 0.00 0.00 29.16 29.70 1rt3 h TRP 398 CO -0.15 -0.65 0.51 1.49 -1.03 0.00 0.00 178.44 178.61 1rt3 h GLU 399 N -1.16 0.49 0.30 2.65 4.81 -0.11 0.80 114.58 122.36 1rt3 h GLU 399 Ca -0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1rt3 h GLU 399 Cb 0.86 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1rt3 h GLU 399 CO 0.19 0.32 -0.17 1.15 -0.73 0.00 0.00 179.01 179.77 1rt3 h THR 400 N 0.51 0.00 -0.86 0.32 2.02 -0.97 -1.68 112.91 112.24 1rt3 h THR 400 Ca 0.61 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.91 1rt3 h THR 400 Cb 1.16 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.49 1rt3 h THR 400 CO -0.50 0.00 0.48 -0.25 0.37 0.00 0.00 175.52 175.63 1rt3 h TRP 401 N -0.43 0.87 0.00 3.16 7.01 -1.21 -2.87 115.95 122.48 1rt3 h TRP 401 Ca -0.04 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1rt3 h TRP 401 Cb 0.34 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1rt3 h TRP 401 CO 0.07 0.30 0.00 1.87 -2.79 0.00 0.00 178.44 177.88 1rt3 n TRP 402 N -4.78 0.00 0.03 2.65 -0.00 0.24 -1.61 117.44 113.97 1rt3 n TRP 402 Ca 0.16 0.00 0.22 0.00 -0.00 0.00 0.00 57.50 57.88 1rt3 n TRP 402 Cb 0.35 -0.20 0.70 0.00 -0.00 0.00 0.00 31.31 32.16 1rt3 n TRP 402 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 1rt3 h THR 403 N 0.00 0.31 0.00 5.87 2.02 -1.26 -1.51 112.91 118.34 1rt3 h THR 403 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rt3 h THR 403 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1rt3 h THR 403 CO 0.00 0.00 -0.91 -1.84 0.37 0.00 0.00 175.52 173.14 1rt3 n GLU 404 N -3.65 0.14 -3.05 6.66 0.28 -1.09 -4.91 120.64 115.02 1rt3 n GLU 404 Ca 0.10 -0.01 -0.40 0.00 -0.16 0.00 0.00 57.16 56.70 1rt3 n GLU 404 Cb 0.79 -1.54 -0.05 0.00 1.43 0.00 0.00 31.44 32.07 1rt3 n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1rt3 s TYR 405 N -3.09 3.72 0.38 -1.84 5.04 -0.57 -4.97 117.35 116.01 1rt3 s TYR 405 Ca 0.07 1.38 0.07 0.00 -2.44 0.00 0.00 57.07 56.15 1rt3 s TYR 405 Cb 0.16 -2.75 0.79 0.00 0.35 0.00 0.00 41.96 40.50 1rt3 s TYR 405 CO 0.80 0.30 1.98 0.11 -1.34 0.00 0.00 175.55 177.39 1rt3 h TRP 406 N 5.67 0.69 -3.68 4.97 5.08 -1.91 -3.42 115.95 123.35 1rt3 h TRP 406 Ca -0.44 0.02 -0.50 0.00 1.08 0.00 0.00 58.89 59.04 1rt3 h TRP 406 Cb 1.20 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.12 1rt3 h TRP 406 CO 0.65 0.38 0.39 -1.14 -1.28 0.00 0.00 178.44 177.44 1rt3 s GLN 407 N -5.62 4.75 0.29 0.12 0.74 -1.26 -5.03 119.66 113.65 1rt3 s GLN 407 Ca -0.09 1.56 -0.28 0.00 0.05 0.00 0.00 55.36 56.59 1rt3 s GLN 407 Cb 0.19 -3.29 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 1rt3 s GLN 407 CO 0.76 0.33 1.00 0.00 -0.55 0.00 0.00 175.29 176.83 1rt3 s ALA 408 N -0.72 3.29 0.21 1.58 0.00 -1.26 -5.05 121.76 119.82 1rt3 s ALA 408 Ca 0.44 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1rt3 s ALA 408 Cb -0.27 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1rt3 s ALA 408 CO 0.33 0.04 0.54 -0.08 0.00 0.00 0.00 175.76 176.59 1rt3 s THR 409 N -1.34 0.02 -0.26 0.00 -1.32 -1.26 -5.18 115.64 106.30 1rt3 s THR 409 Ca 0.46 -0.88 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 1rt3 s THR 409 Cb -0.26 -1.70 0.07 0.00 -1.51 0.00 0.00 72.50 69.10 1rt3 s THR 409 CO 0.32 -0.09 0.69 0.86 -2.21 0.00 0.00 174.62 174.19 1rt3 s TRP 410 N -3.90 -0.77 -0.13 9.09 -0.11 -1.26 -5.14 118.94 116.72 1rt3 s TRP 410 Ca 0.11 1.86 0.01 0.00 1.22 0.00 0.00 56.10 59.30 1rt3 s TRP 410 Cb -0.01 0.27 -0.00 0.00 -1.50 0.00 0.00 33.47 32.23 1rt3 s TRP 410 CO -0.00 -0.37 -0.18 0.42 -4.62 0.00 0.00 176.95 172.20 1rt3 s ILE 411 N 0.42 2.53 0.76 5.86 1.01 -1.26 -4.99 121.20 125.53 1rt3 s ILE 411 Ca -0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1rt3 s ILE 411 Cb -0.05 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.44 1rt3 s ILE 411 CO 0.00 0.53 1.18 -2.16 0.00 0.00 0.00 174.94 174.49 1rt3 s PRO 412 N 0.60 1.99 -0.17 2.79 0.04 -1.26 -4.78 135.00 134.22 1rt3 s PRO 412 Ca -0.10 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 1rt3 s PRO 412 Cb -0.16 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1rt3 s PRO 412 CO 0.03 -1.92 0.57 -1.91 0.04 0.00 0.00 177.00 173.81 1rt3 n GLU 413 N -3.03 0.00 -4.04 4.56 2.13 -1.26 -4.68 120.64 114.32 1rt3 n GLU 413 Ca 0.13 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.86 1rt3 n GLU 413 Cb 0.51 -0.50 -0.09 0.00 0.27 0.00 0.00 31.44 31.63 1rt3 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 1rt3 s TRP 414 N 1.20 0.53 0.02 4.31 1.48 -1.26 -1.61 118.94 123.60 1rt3 s TRP 414 Ca 0.36 -0.98 0.03 0.00 -1.06 0.00 0.00 56.10 54.45 1rt3 s TRP 414 Cb -0.50 -0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 31.49 1rt3 s TRP 414 CO 0.26 -0.50 -0.10 -1.83 -4.06 0.00 0.00 176.95 170.72 1rt3 s GLU 415 N -3.95 0.73 0.37 3.25 -1.05 0.38 -4.95 118.70 113.48 1rt3 s GLU 415 Ca 0.13 -0.58 -0.26 0.00 -0.15 0.00 0.00 54.97 54.11 1rt3 s GLU 415 Cb 0.07 -0.68 -0.09 0.00 -0.44 0.00 0.00 34.13 32.99 1rt3 s GLU 415 CO -0.06 0.17 1.09 0.12 0.95 0.00 0.00 175.26 177.53 1rt3 s PHE 416 N -0.73 3.31 -0.07 4.83 5.36 -1.26 -0.29 117.98 129.14 1rt3 s PHE 416 Ca -0.00 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 1rt3 s PHE 416 Cb -0.07 -3.22 0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1rt3 s PHE 416 CO 0.01 -0.74 -0.05 0.54 -1.46 0.00 0.00 175.22 173.51 1rt3 s VAL 417 N -1.48 0.68 -1.18 3.12 0.11 -0.10 -4.79 120.40 116.76 1rt3 s VAL 417 Ca 0.54 -0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 1rt3 s VAL 417 Cb -0.26 -0.72 0.09 0.00 -1.53 0.00 0.00 36.38 33.96 1rt3 s VAL 417 CO 0.33 0.28 1.55 0.21 -3.33 0.00 0.00 175.10 174.14 1rt3 s ASN 418 N 1.24 6.80 -0.38 3.54 2.47 -1.26 -4.27 114.94 123.08 1rt3 s ASN 418 Ca -0.05 -2.32 0.02 0.00 0.42 0.00 0.00 52.86 50.93 1rt3 s ASN 418 Cb -0.14 -2.52 0.15 0.00 -1.45 0.00 0.00 41.25 37.30 1rt3 s ASN 418 CO -0.02 -1.14 0.27 -0.89 -3.72 0.00 0.00 177.10 171.60 1rt3 s THR 419 N 3.66 0.24 0.80 -5.21 2.01 -1.26 -5.14 115.64 110.74 1rt3 s THR 419 Ca 0.48 -2.16 -0.15 0.00 0.31 0.00 0.00 61.69 60.17 1rt3 s THR 419 Cb 0.01 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1rt3 s THR 419 CO 0.01 -1.11 0.55 -2.65 -0.69 0.00 0.00 174.62 170.73 1rt3 n PRO 420 N 3.48 0.12 -2.39 4.92 -0.02 -1.26 -4.48 135.00 135.37 1rt3 n PRO 420 Ca 0.20 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 1rt3 n PRO 420 Cb 0.42 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1rt3 n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rt3 s PRO 421 N -3.13 4.49 0.25 0.52 0.04 -1.26 -5.01 135.00 130.90 1rt3 s PRO 421 Ca 0.64 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 1rt3 s PRO 421 Cb -0.30 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 1rt3 s PRO 421 CO 0.60 -0.11 0.68 -0.51 0.04 0.00 0.00 177.00 177.69 1rt3 s LEU 422 N 0.05 4.20 0.03 -3.56 1.02 -1.26 -4.65 118.68 114.52 1rt3 s LEU 422 Ca 0.54 1.24 -0.25 0.00 0.02 0.00 0.00 54.13 55.67 1rt3 s LEU 422 Cb -0.32 -3.76 -0.05 0.00 0.02 0.00 0.00 46.19 42.09 1rt3 s LEU 422 CO 0.35 -0.07 0.78 0.68 0.02 0.00 0.00 176.35 178.11 1rt3 s VAL 423 N -1.75 4.76 0.31 -1.59 -7.23 0.37 -5.02 120.40 110.26 1rt3 s VAL 423 Ca 0.47 1.66 0.01 0.00 -1.81 0.00 0.00 61.98 62.32 1rt3 s VAL 423 Cb -0.13 -4.13 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 1rt3 s VAL 423 CO 0.19 0.34 0.35 -1.59 -0.31 0.00 0.00 175.10 174.08 1rt3 s LYS 424 N 0.10 1.74 -0.34 4.82 -2.85 -1.26 -4.60 119.74 117.35 1rt3 s LYS 424 Ca 0.40 -1.82 -0.07 0.00 -1.00 0.00 0.00 55.97 53.48 1rt3 s LYS 424 Cb -0.20 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1rt3 s LYS 424 CO 0.23 -0.67 0.11 -0.51 0.10 0.00 0.00 175.35 174.61 1rt3 s LEU 425 N -3.27 4.34 0.50 2.77 1.43 -1.26 -4.70 118.68 118.49 1rt3 s LEU 425 Ca 0.35 -1.14 0.27 0.00 -1.03 0.00 0.00 54.13 52.59 1rt3 s LEU 425 Cb 0.02 -1.87 1.33 0.00 0.03 0.00 0.00 46.19 45.69 1rt3 s LEU 425 CO 0.22 -0.33 2.01 -0.50 0.23 0.00 0.00 176.35 177.98 1rt3 h TRP 426 N 8.23 0.00 -2.10 0.29 4.06 -1.98 -3.45 115.95 121.00 1rt3 h TRP 426 Ca -0.23 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.65 1rt3 h TRP 426 Cb 1.08 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 29.05 1rt3 h TRP 426 CO 0.59 0.14 0.14 1.52 -3.56 0.00 0.00 178.44 177.27 1rt3 s TYR 427 N -4.03 -0.63 -0.06 0.49 1.13 -1.26 -4.71 117.35 108.29 1rt3 s TYR 427 Ca -0.02 1.12 0.01 0.00 -1.41 0.00 0.00 57.07 56.77 1rt3 s TYR 427 Cb 0.12 0.37 0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1rt3 s TYR 427 CO 0.59 -0.57 -0.05 -0.65 -2.51 0.00 0.00 175.55 172.37 1rt3 s GLN 428 N -1.05 0.98 0.49 -3.49 -0.21 -1.26 -5.00 119.66 110.12 1rt3 s GLN 428 Ca -0.10 -0.13 -0.21 0.00 0.02 0.00 0.00 55.36 54.94 1rt3 s GLN 428 Cb -0.01 -1.01 -0.07 0.00 1.00 0.00 0.00 33.01 32.92 1rt3 s GLN 428 CO 0.09 -0.12 1.15 -0.51 -2.12 0.00 0.00 175.29 173.77 1rt3 s LEU 429 N 1.14 3.90 0.32 2.90 1.43 -1.26 -4.63 118.68 122.47 1rt3 s LEU 429 Ca -0.07 2.24 -0.28 0.00 -1.03 0.00 0.00 54.13 54.99 1rt3 s LEU 429 Cb -0.14 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 1rt3 s LEU 429 CO -0.01 -1.03 1.16 -1.61 0.23 0.00 0.00 176.35 175.09 1rt3 s GLU 430 N -2.94 4.46 0.24 1.70 0.41 0.16 -4.94 118.70 117.79 1rt3 s GLU 430 Ca 0.67 1.90 0.13 0.00 -0.41 0.00 0.00 54.97 57.25 1rt3 s GLU 430 Cb -0.26 -3.05 0.11 0.00 -1.78 0.00 0.00 34.13 29.15 1rt3 s GLU 430 CO 0.31 0.02 1.46 -0.22 -0.49 0.00 0.00 175.26 176.34 1rt3 h LYS 431 N 3.47 0.00 -5.65 1.61 3.11 -1.94 -3.44 116.57 113.73 1rt3 h LYS 431 Ca -0.48 0.00 -0.47 0.00 -2.81 0.00 0.00 60.65 56.90 1rt3 h LYS 431 Cb 1.22 0.00 -0.21 0.00 -1.00 0.00 0.00 32.23 32.24 1rt3 h LYS 431 CO 0.66 0.66 -0.79 -1.21 -2.81 0.00 0.00 179.45 175.95 1rt3 s GLU 432 N -3.06 0.95 0.48 1.90 0.41 -1.26 -5.12 118.70 113.00 1rt3 s GLU 432 Ca 0.02 -1.06 -0.23 0.00 -0.41 0.00 0.00 54.97 53.29 1rt3 s GLU 432 Cb 0.09 -1.04 -0.09 0.00 -1.78 0.00 0.00 34.13 31.32 1rt3 s GLU 432 CO 0.76 0.23 1.03 -0.35 -0.49 0.00 0.00 175.26 176.45 1rt3 n PRO 433 N 1.12 1.30 -2.90 0.39 -0.04 -1.26 -4.92 135.00 128.69 1rt3 n PRO 433 Ca -0.20 0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 1rt3 n PRO 433 Cb 0.54 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.83 1rt3 n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rt3 s ILE 434 N -1.34 4.91 -0.09 0.52 1.01 -1.26 -5.03 121.20 119.92 1rt3 s ILE 434 Ca 0.67 1.63 -0.28 0.00 0.00 0.00 0.00 60.65 62.67 1rt3 s ILE 434 Cb -0.50 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 1rt3 s ILE 434 CO 0.54 0.07 0.90 -0.69 0.00 0.00 0.00 174.94 175.77 1rt3 s VAL 435 N 1.84 4.88 0.00 2.92 1.01 -1.26 -3.25 120.40 126.54 1rt3 s VAL 435 Ca 0.39 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1rt3 s VAL 435 Cb -0.17 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1rt3 s VAL 435 CO 0.14 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1rt3 n GLY 436 N 3.13 1.13 3.82 4.51 0.00 -1.26 -5.04 105.19 111.49 1rt3 n GLY 436 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1rt3 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rt3 s ALA 437 N -2.57 3.58 0.40 4.61 0.00 -1.20 -5.04 121.76 121.54 1rt3 s ALA 437 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 1rt3 s ALA 437 Cb 0.00 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 1rt3 s ALA 437 CO 0.00 0.42 1.29 -2.00 0.00 0.00 0.00 175.76 175.47 1rt3 s GLU 438 N -1.43 4.00 -0.24 0.00 2.12 -1.26 -4.70 118.70 117.19 1rt3 s GLU 438 Ca 0.32 2.12 -0.10 0.00 0.36 0.00 0.00 54.97 57.68 1rt3 s GLU 438 Cb -0.18 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.40 1rt3 s GLU 438 CO 0.19 -0.45 0.15 0.99 -0.54 0.00 0.00 175.26 175.60 1rt3 s THR 439 N -1.27 5.20 -0.22 -1.70 2.01 -1.26 -1.48 115.64 116.93 1rt3 s THR 439 Ca 0.56 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.64 1rt3 s THR 439 Cb -0.37 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1rt3 s THR 439 CO 0.48 0.34 0.01 -0.36 -0.69 0.00 0.00 174.62 174.39 1rt3 s PHE 440 N 1.19 3.03 -0.51 4.92 0.40 0.11 -1.86 117.98 125.26 1rt3 s PHE 440 Ca 0.07 -0.57 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 1rt3 s PHE 440 Cb -0.14 -2.12 0.13 0.00 0.51 0.00 0.00 43.02 41.39 1rt3 s PHE 440 CO 0.05 -0.34 0.44 0.71 0.70 0.00 0.00 175.22 176.78 1rt3 s TYR 441 N 1.26 3.32 -0.08 0.36 1.51 0.12 -0.09 117.35 123.76 1rt3 s TYR 441 Ca 0.04 -1.53 -0.04 0.00 -1.01 0.00 0.00 57.07 54.53 1rt3 s TYR 441 Cb -0.15 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 1rt3 s TYR 441 CO 0.01 -1.01 0.11 0.14 -1.11 0.00 0.00 175.55 173.69 1rt3 s VAL 442 N 1.50 5.12 0.01 0.71 -7.23 -0.64 -1.49 120.40 118.38 1rt3 s VAL 442 Ca 0.04 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1rt3 s VAL 442 Cb -0.28 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.40 1rt3 s VAL 442 CO 0.01 0.52 0.00 0.47 -0.31 0.00 0.00 175.10 175.80 1rt3 n ASP 443 N 1.72 -0.02 -4.35 4.85 9.92 -1.26 -4.29 116.55 123.12 1rt3 n ASP 443 Ca -0.17 0.01 -0.38 0.00 -0.53 0.00 0.00 54.79 53.73 1rt3 n ASP 443 Cb 0.54 0.13 -0.12 0.00 -0.64 0.00 0.00 41.12 41.03 1rt3 n ASP 443 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rt3 s ALA 455 N -1.79 3.09 0.16 2.24 0.00 -0.59 -4.75 121.76 120.12 1rt3 s ALA 455 Ca 0.00 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.23 1rt3 s ALA 455 Cb 0.00 -2.20 0.07 0.00 0.00 0.00 0.00 23.12 20.99 1rt3 s ALA 455 CO 0.00 -0.98 0.97 0.20 0.00 0.00 0.00 175.76 175.95 1rt3 s GLY 456 N 1.50 -0.18 0.24 0.00 0.00 -1.26 -0.83 107.32 106.79 1rt3 s GLY 456 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.83 1rt3 s GLY 456 CO 0.03 0.27 0.01 -2.52 0.00 0.00 0.00 173.10 170.89 1rt3 s TYR 457 N -3.12 1.58 -0.01 1.90 -0.85 -0.75 -4.60 117.35 111.50 1rt3 s TYR 457 Ca 0.14 -0.94 -0.01 0.00 -0.52 0.00 0.00 57.07 55.74 1rt3 s TYR 457 Cb -0.02 -0.92 0.01 0.00 0.38 0.00 0.00 41.96 41.41 1rt3 s TYR 457 CO 0.03 -0.06 0.02 0.08 -1.52 0.00 0.00 175.55 174.10 1rt3 s VAL 458 N -3.44 -0.01 0.29 -3.49 1.01 -0.56 -2.44 120.40 111.77 1rt3 s VAL 458 Ca 0.29 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.41 1rt3 s VAL 458 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 36.38 36.34 1rt3 s VAL 458 CO 0.09 0.01 -0.11 0.42 0.00 0.00 0.00 175.10 175.52 1rt3 s THR 459 N 0.15 2.71 0.53 3.92 -4.23 0.13 0.15 115.64 119.01 1rt3 s THR 459 Ca -0.01 -2.20 0.24 0.00 -1.18 0.00 0.00 61.69 58.54 1rt3 s THR 459 Cb -0.02 -2.55 0.31 0.00 1.34 0.00 0.00 72.50 71.58 1rt3 s THR 459 CO -0.00 -0.34 2.18 -0.55 -0.54 0.00 0.00 174.62 175.36 1rt3 h ASN 460 N 2.07 0.00 -0.23 3.99 -1.07 -1.69 -0.01 115.58 118.65 1rt3 h ASN 460 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.94 1rt3 h ASN 460 Cb 1.25 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.49 1rt3 h ASN 460 CO 0.62 0.04 0.02 0.54 0.07 0.00 0.00 177.43 178.72 1rt3 n ARG 461 N -4.05 2.38 0.00 4.14 1.74 -1.26 -4.89 116.66 114.72 1rt3 n ARG 461 Ca -0.03 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 1rt3 n ARG 461 Cb 0.12 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1rt3 n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rt3 n GLY 462 N 0.20 2.74 3.68 -0.13 0.00 -0.02 -4.99 105.19 106.68 1rt3 n GLY 462 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1rt3 n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rt3 n ARG 463 N -0.80 2.26 -3.76 1.61 1.74 -1.26 -4.57 116.66 111.89 1rt3 n ARG 463 Ca 0.00 0.82 -0.13 0.00 -0.77 0.00 0.00 57.85 57.77 1rt3 n ARG 463 Cb 0.00 -2.63 -0.13 0.00 -1.02 0.00 0.00 32.46 28.69 1rt3 n ARG 463 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1rt3 s GLN 464 N 1.91 0.23 -0.05 5.56 -2.07 -1.26 0.21 119.66 124.19 1rt3 s GLN 464 Ca 0.82 0.43 -0.02 0.00 -1.82 0.00 0.00 55.36 54.77 1rt3 s GLN 464 Cb -0.65 -0.02 0.03 0.00 -1.09 0.00 0.00 33.01 31.28 1rt3 s GLN 464 CO 0.41 -0.11 0.07 0.21 -1.32 0.00 0.00 175.29 174.55 1rt3 s LYS 465 N 0.76 -0.07 -0.04 9.60 2.20 -1.02 -5.00 119.74 126.18 1rt3 s LYS 465 Ca -0.05 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1rt3 s LYS 465 Cb -0.07 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.75 1rt3 s LYS 465 CO -0.05 -0.33 -0.12 0.08 -0.36 0.00 0.00 175.35 174.57 1rt3 s VAL 466 N 2.18 1.02 0.29 4.02 1.01 -1.26 -1.81 120.40 125.85 1rt3 s VAL 466 Ca 0.05 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1rt3 s VAL 466 Cb -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1rt3 s VAL 466 CO -0.03 0.31 0.21 0.68 0.00 0.00 0.00 175.10 176.27 1rt3 s VAL 467 N 0.23 0.06 -0.08 2.92 -7.23 -0.01 -4.97 120.40 111.33 1rt3 s VAL 467 Ca -0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1rt3 s VAL 467 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1rt3 s VAL 467 CO 0.01 0.00 -0.21 0.42 -0.31 0.00 0.00 175.10 175.01 1rt3 s THR 468 N -3.67 1.83 0.00 5.32 -4.23 -1.26 -1.54 115.64 112.09 1rt3 s THR 468 Ca 0.39 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1rt3 s THR 468 Cb 0.04 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1rt3 s THR 468 CO 0.21 0.51 0.00 0.18 -0.54 0.00 0.00 174.62 174.98 1rt3 n LEU 469 N 3.45 0.00 0.00 4.79 7.99 -1.26 -5.05 117.00 126.92 1rt3 n LEU 469 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 1rt3 n LEU 469 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1rt3 n LEU 469 CO 0.27 -0.01 0.00 0.35 -1.51 0.00 0.00 177.39 176.49 1rt3 n THR 470 N -0.02 0.00 0.00 -5.08 -2.24 -1.26 -4.97 114.28 100.71 1rt3 n THR 470 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rt3 n THR 470 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1rt3 n THR 470 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rt3 n ASP 471 N -0.43 4.92 -2.36 3.42 8.00 -1.26 -5.10 116.55 123.73 1rt3 n ASP 471 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1rt3 n ASP 471 Cb 0.00 0.63 0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1rt3 n ASP 471 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rt3 n THR 472 N -1.83 0.00 -4.20 -3.53 5.66 -1.26 -5.01 114.28 104.11 1rt3 n THR 472 Ca 0.00 -0.28 -0.30 0.00 -3.05 0.00 0.00 64.05 60.42 1rt3 n THR 472 Cb 0.35 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.04 1rt3 n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rt3 s THR 473 N -1.13 3.55 0.19 1.09 -4.23 -1.26 -4.94 115.64 108.92 1rt3 s THR 473 Ca 0.30 -1.19 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1rt3 s THR 473 Cb -0.24 -2.67 0.30 0.00 1.34 0.00 0.00 72.50 71.23 1rt3 s THR 473 CO 0.39 0.11 1.09 0.59 -0.54 0.00 0.00 174.62 176.26 1rt3 n ASN 474 N 0.65 -0.28 0.14 3.99 3.02 -1.26 0.12 115.26 121.64 1rt3 n ASN 474 Ca -0.13 1.20 -0.01 0.00 -0.03 0.00 0.00 54.58 55.62 1rt3 n ASN 474 Cb 0.52 -0.35 0.19 0.00 -0.61 0.00 0.00 39.78 39.53 1rt3 n ASN 474 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1rt3 h GLN 475 N 0.00 0.01 -0.20 3.52 4.20 -2.01 -2.93 115.11 117.69 1rt3 h GLN 475 Ca 0.32 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.90 1rt3 h GLN 475 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1rt3 h GLN 475 CO -0.72 0.59 -0.42 -0.22 -0.67 0.00 0.00 178.83 177.40 1rt3 h LYS 476 N 0.00 0.48 0.05 1.46 3.11 0.51 -3.10 116.57 119.08 1rt3 h LYS 476 Ca -0.01 -0.25 -0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1rt3 h LYS 476 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 1rt3 h LYS 476 CO 0.08 0.82 -0.02 1.15 -2.81 0.00 0.00 179.45 178.66 1rt3 h THR 477 N 0.40 0.96 -0.71 1.00 2.02 -1.00 -1.82 112.91 113.76 1rt3 h THR 477 Ca 0.03 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.33 1rt3 h THR 477 Cb 0.90 0.97 -0.10 0.00 -1.74 0.00 0.00 68.15 68.18 1rt3 h THR 477 CO 0.08 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.86 1rt3 h GLU 478 N -0.07 0.34 -0.16 6.66 5.08 -1.47 -0.58 114.58 124.37 1rt3 h GLU 478 Ca -0.01 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1rt3 h GLU 478 Cb 0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1rt3 h GLU 478 CO 0.01 0.22 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.63 1rt3 h LEU 479 N 0.35 0.54 -0.75 1.33 4.07 -1.47 -2.99 115.31 116.38 1rt3 h LEU 479 Ca 0.39 -0.29 0.08 0.00 0.08 0.00 0.00 57.88 58.14 1rt3 h LEU 479 Cb 0.61 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.13 1rt3 h LEU 479 CO -0.43 0.98 0.42 1.56 -1.08 0.00 0.00 178.44 179.89 1rt3 h GLN 480 N 0.38 0.72 -0.34 1.13 1.08 -0.25 0.88 115.11 118.70 1rt3 h GLN 480 Ca 0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1rt3 h GLN 480 Cb 1.07 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 1rt3 h GLN 480 CO 0.10 0.48 0.22 0.00 -0.95 0.00 0.00 178.83 178.67 1rt3 h ALA 481 N 1.41 0.44 -0.50 3.87 0.00 -1.20 0.64 119.26 123.91 1rt3 h ALA 481 Ca 0.35 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1rt3 h ALA 481 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1rt3 h ALA 481 CO -0.22 -0.08 -0.00 0.82 0.00 0.00 0.00 179.25 179.77 1rt3 h ILE 482 N 0.45 1.25 -0.36 0.00 2.04 -1.26 -0.64 117.51 119.00 1rt3 h ILE 482 Ca 0.12 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1rt3 h ILE 482 Cb -0.02 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1rt3 h ILE 482 CO -0.02 0.36 0.21 0.22 0.00 0.00 0.00 178.15 178.92 1rt3 h TYR 483 N 0.78 0.48 -0.09 1.37 3.20 -0.34 -0.46 116.97 121.90 1rt3 h TYR 483 Ca 0.15 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1rt3 h TYR 483 Cb 0.47 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1rt3 h TYR 483 CO 0.03 0.36 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.71 1rt3 h LEU 484 N 0.46 -0.37 -0.51 2.82 3.38 -0.36 0.12 115.31 120.84 1rt3 h LEU 484 Ca 0.13 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1rt3 h LEU 484 Cb 0.03 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 1rt3 h LEU 484 CO -0.02 -0.16 -0.16 0.00 0.09 0.00 0.00 178.44 178.19 1rt3 h ALA 485 N 0.89 0.29 -0.22 1.53 0.00 -0.68 -0.77 119.26 120.31 1rt3 h ALA 485 Ca 0.08 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rt3 h ALA 485 Cb 0.26 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rt3 h ALA 485 CO -0.19 -0.47 0.12 -0.07 0.00 0.00 0.00 179.25 178.64 1rt3 h LEU 486 N -0.03 0.27 -1.94 0.00 3.38 -0.46 -2.71 115.31 113.82 1rt3 h LEU 486 Ca 0.25 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1rt3 h LEU 486 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rt3 h LEU 486 CO -0.55 0.29 0.10 -0.61 0.09 0.00 0.00 178.44 177.76 1rt3 h GLN 487 N 0.24 0.08 -0.02 1.13 4.15 0.63 -2.58 115.11 118.74 1rt3 h GLN 487 Ca 0.08 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1rt3 h GLN 487 Cb 0.07 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1rt3 h GLN 487 CO -0.01 0.05 -0.01 -0.25 -1.93 0.00 0.00 178.83 176.68 1rt3 n ASP 488 N -4.51 2.49 -4.92 -0.69 8.00 -0.67 -5.02 116.55 111.23 1rt3 n ASP 488 Ca -0.00 -1.74 -0.21 0.00 0.71 0.00 0.00 54.79 53.54 1rt3 n ASP 488 Cb 0.17 0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1rt3 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rt3 s SER 489 N -1.53 5.10 0.69 -2.24 1.04 -0.97 -5.10 113.70 110.69 1rt3 s SER 489 Ca 0.21 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1rt3 s SER 489 Cb 0.15 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.58 1rt3 s SER 489 CO 0.23 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1rt3 n GLY 490 N -2.43 -0.34 0.27 7.32 0.00 -1.26 -4.97 105.19 103.77 1rt3 n GLY 490 Ca 0.09 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.43 1rt3 n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rt3 h LEU 491 N 0.00 0.00 -8.34 0.99 4.07 -1.94 -3.39 115.31 106.69 1rt3 h LEU 491 Ca 0.00 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.29 1rt3 h LEU 491 Cb 0.00 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 41.43 1rt3 h LEU 491 CO 0.00 0.01 -0.81 -1.61 -1.08 0.00 0.00 178.44 174.94 1rt3 s GLU 492 N -4.96 3.18 0.02 1.13 2.02 -1.26 0.26 118.70 119.09 1rt3 s GLU 492 Ca -0.05 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1rt3 s GLU 492 Cb 0.17 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1rt3 s GLU 492 CO 0.65 -0.00 -0.07 0.08 0.02 0.00 0.00 175.26 175.93 1rt3 s VAL 493 N 0.85 0.52 -0.24 2.63 1.01 -0.09 -3.98 120.40 121.09 1rt3 s VAL 493 Ca -0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1rt3 s VAL 493 Cb -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1rt3 s VAL 493 CO -0.01 -0.13 -0.05 0.20 0.00 0.00 0.00 175.10 175.11 1rt3 s ASN 494 N -0.89 4.34 -0.16 3.32 0.01 -0.55 -1.49 114.94 119.53 1rt3 s ASN 494 Ca -0.04 -0.72 0.01 0.00 -0.71 0.00 0.00 52.86 51.41 1rt3 s ASN 494 Cb -0.06 -1.70 0.01 0.00 0.41 0.00 0.00 41.25 39.91 1rt3 s ASN 494 CO 0.00 -0.10 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.67 1rt3 s ILE 495 N 1.38 2.30 -0.09 0.60 1.01 0.15 0.06 121.20 126.61 1rt3 s ILE 495 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1rt3 s ILE 495 Cb -0.16 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1rt3 s ILE 495 CO -0.04 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.70 1rt3 s VAL 496 N 0.93 3.94 0.09 2.92 1.01 0.88 -0.09 120.40 130.08 1rt3 s VAL 496 Ca -0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1rt3 s VAL 496 Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1rt3 s VAL 496 CO -0.03 0.58 0.31 0.28 0.00 0.00 0.00 175.10 176.23 1rt3 s THR 497 N -0.57 0.10 -0.52 3.92 -1.32 -0.08 -1.62 115.64 115.56 1rt3 s THR 497 Ca 0.09 -0.80 0.22 0.00 -1.21 0.00 0.00 61.69 59.99 1rt3 s THR 497 Cb -0.12 -1.17 -0.27 0.00 -1.51 0.00 0.00 72.50 69.43 1rt3 s THR 497 CO 0.02 -0.44 0.71 -0.90 -2.21 0.00 0.00 174.62 171.80 1rt3 n ASP 498 N 0.02 0.50 -4.57 8.08 5.75 -1.25 -1.55 116.55 123.53 1rt3 n ASP 498 Ca -0.16 -0.47 -0.42 0.00 -0.01 0.00 0.00 54.79 53.73 1rt3 n ASP 498 Cb 0.62 1.45 -0.03 0.00 -1.03 0.00 0.00 41.12 42.14 1rt3 n ASP 498 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rt3 s SER 499 N -3.78 6.21 0.51 -1.12 0.15 -1.26 -4.80 113.70 109.61 1rt3 s SER 499 Ca 0.00 0.14 0.27 0.00 0.70 0.00 0.00 55.95 57.06 1rt3 s SER 499 Cb 0.15 -2.55 1.37 0.00 -1.71 0.00 0.00 66.02 63.28 1rt3 s SER 499 CO 0.88 -1.67 2.03 0.06 1.20 0.00 0.00 173.24 175.75 1rt3 h GLN 500 N 10.55 0.00 0.36 5.44 3.07 -1.93 -2.22 115.11 130.37 1rt3 h GLN 500 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.46 1rt3 h GLN 500 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1rt3 h GLN 500 CO 1.19 0.14 -0.17 -0.92 0.09 0.00 0.00 178.83 179.16 1rt3 h TYR 501 N 0.00 -0.45 -0.43 0.06 3.20 -1.99 0.14 116.97 117.50 1rt3 h TYR 501 Ca -0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 1rt3 h TYR 501 Cb 0.40 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.74 1rt3 h TYR 501 CO 0.00 -0.28 -0.06 0.00 -1.64 0.00 0.00 178.16 176.18 1rt3 h ALA 502 N -1.70 0.34 -0.08 1.82 0.00 -1.90 -0.36 119.26 117.38 1rt3 h ALA 502 Ca -0.05 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1rt3 h ALA 502 Cb 0.37 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1rt3 h ALA 502 CO 0.08 -0.42 -0.49 1.25 0.00 0.00 0.00 179.25 179.67 1rt3 h LEU 503 N 0.05 -1.51 -0.53 0.00 7.12 -1.43 0.85 115.31 119.86 1rt3 h LEU 503 Ca 0.21 0.18 0.09 0.00 0.13 0.00 0.00 57.88 58.50 1rt3 h LEU 503 Cb 0.32 0.59 -0.08 0.00 -0.53 0.00 0.00 40.66 40.97 1rt3 h LEU 503 CO -0.41 -0.48 0.09 1.23 -0.13 0.00 0.00 178.44 178.75 1rt3 h GLY 504 N -0.58 0.64 0.59 3.75 0.00 0.02 0.48 103.07 107.96 1rt3 h GLY 504 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1rt3 h GLY 504 CO -0.39 -0.09 -0.31 -2.22 0.00 0.00 0.00 176.54 173.53 1rt3 h ILE 505 N 0.23 0.35 -0.02 2.60 2.04 -0.28 -0.80 117.51 121.62 1rt3 h ILE 505 Ca 0.27 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 1rt3 h ILE 505 Cb 0.38 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1rt3 h ILE 505 CO -0.36 0.00 -0.18 0.40 0.00 0.00 0.00 178.15 178.02 1rt3 h ILE 506 N -0.60 1.14 0.00 -0.67 2.04 -0.25 -0.45 117.51 118.71 1rt3 h ILE 506 Ca 0.00 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1rt3 h ILE 506 Cb 0.58 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1rt3 h ILE 506 CO -0.11 0.19 -0.03 1.56 0.00 0.00 0.00 178.15 179.76 1rt3 h GLN 507 N 0.03 0.00 0.00 2.37 4.20 0.59 -2.05 115.11 120.24 1rt3 h GLN 507 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rt3 h GLN 507 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1rt3 h GLN 507 CO 0.02 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1rt3 n ALA 508 N -2.11 2.54 -3.90 3.87 0.00 -0.18 -4.92 120.51 115.81 1rt3 n ALA 508 Ca 0.01 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 1rt3 n ALA 508 Cb 0.35 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1rt3 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rt3 n GLN 509 N -1.05 -3.23 -2.36 0.00 6.02 -0.77 -4.86 117.38 111.13 1rt3 n GLN 509 Ca 0.20 0.43 -0.39 0.00 -0.01 0.00 0.00 57.00 57.23 1rt3 n GLN 509 Cb 0.12 -4.53 -0.03 0.00 1.02 0.00 0.00 30.24 26.82 1rt3 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1rt3 s PRO 510 N -6.45 4.25 -0.00 -1.09 0.04 -1.26 -4.66 135.00 125.82 1rt3 s PRO 510 Ca 0.05 1.82 0.09 0.00 0.04 0.00 0.00 61.00 63.00 1rt3 s PRO 510 Cb -0.02 -2.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 1rt3 s PRO 510 CO 0.88 -0.15 0.36 -0.40 0.04 0.00 0.00 177.00 177.73 1rt3 n ASP 511 N 0.40 0.58 -3.90 6.66 5.68 0.63 -4.86 116.55 121.75 1rt3 n ASP 511 Ca 0.03 -0.66 -0.10 0.00 -0.50 0.00 0.00 54.79 53.55 1rt3 n ASP 511 Cb 0.46 1.03 -0.10 0.00 -1.14 0.00 0.00 41.12 41.37 1rt3 n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rt3 s GLN 512 N -1.88 0.51 0.23 0.11 -2.07 -0.80 -5.00 119.66 110.75 1rt3 s GLN 512 Ca 0.03 -0.53 -0.22 0.00 -1.82 0.00 0.00 55.36 52.82 1rt3 s GLN 512 Cb 0.07 0.20 0.04 0.00 -1.09 0.00 0.00 33.01 32.23 1rt3 s GLN 512 CO 0.36 -0.12 0.66 0.45 -1.32 0.00 0.00 175.29 175.32 1rt3 s SER 513 N -1.63 -0.38 0.16 12.60 0.15 -1.26 -1.75 113.70 121.57 1rt3 s SER 513 Ca -0.12 -0.37 0.16 0.00 0.70 0.00 0.00 55.95 56.32 1rt3 s SER 513 Cb -0.06 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1rt3 s SER 513 CO -0.01 -1.19 1.10 1.05 1.20 0.00 0.00 173.24 175.40 1rt3 h GLU 514 N 2.01 0.00 -5.43 5.44 -0.00 -1.81 -3.45 114.58 111.35 1rt3 h GLU 514 Ca -0.25 0.00 -0.61 0.00 -0.00 0.00 0.00 59.36 58.49 1rt3 h GLU 514 Cb 1.27 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.90 1rt3 h GLU 514 CO 0.30 0.40 0.03 -1.54 -0.00 0.00 0.00 179.01 178.20 1rt3 s SER 515 N -6.08 6.50 0.36 3.06 1.04 -1.26 -4.95 113.70 112.35 1rt3 s SER 515 Ca 0.00 0.60 0.10 0.00 0.48 0.00 0.00 55.95 57.13 1rt3 s SER 515 Cb 0.08 -2.30 0.85 0.00 0.10 0.00 0.00 66.02 64.76 1rt3 s SER 515 CO 0.78 -0.30 1.85 -0.08 0.98 0.00 0.00 173.24 176.48 1rt3 h GLU 516 N 7.90 0.63 0.14 4.02 4.81 -2.00 -1.91 114.58 128.18 1rt3 h GLU 516 Ca -0.29 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1rt3 h GLU 516 Cb 1.14 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1rt3 h GLU 516 CO 0.74 0.42 -0.10 1.25 -0.73 0.00 0.00 179.01 180.58 1rt3 h LEU 517 N 0.65 -0.26 -0.71 1.64 6.46 -1.98 -1.13 115.31 119.98 1rt3 h LEU 517 Ca 0.48 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.34 1rt3 h LEU 517 Cb 0.85 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.79 1rt3 h LEU 517 CO -0.23 -0.16 0.38 0.58 -0.62 0.00 0.00 178.44 178.38 1rt3 h VAL 518 N -0.25 0.89 -0.60 1.05 2.07 -1.78 -0.23 116.25 117.41 1rt3 h VAL 518 Ca -0.01 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1rt3 h VAL 518 Cb 0.22 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1rt3 h VAL 518 CO 0.00 0.12 0.24 0.78 0.02 0.00 0.00 177.57 178.73 1rt3 h ASN 519 N 0.66 0.79 -0.31 0.57 2.35 -1.11 0.25 115.58 118.78 1rt3 h ASN 519 Ca 0.34 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1rt3 h ASN 519 Cb 0.31 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1rt3 h ASN 519 CO -0.24 0.71 0.08 1.56 -1.65 0.00 0.00 177.43 177.89 1rt3 h GLN 520 N 0.85 0.49 -0.61 0.81 4.20 0.07 0.15 115.11 121.08 1rt3 h GLN 520 Ca 0.20 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1rt3 h GLN 520 Cb 0.16 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1rt3 h GLN 520 CO -0.02 0.55 0.39 0.82 -0.67 0.00 0.00 178.83 179.90 1rt3 h ILE 521 N 0.33 1.12 -0.92 2.54 2.04 -0.40 -0.79 117.51 121.44 1rt3 h ILE 521 Ca 0.10 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1rt3 h ILE 521 Cb 0.28 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1rt3 h ILE 521 CO -0.00 0.14 0.58 0.40 0.00 0.00 0.00 178.15 179.28 1rt3 h ILE 522 N 0.79 1.24 0.34 -0.67 2.04 -0.17 0.69 117.51 121.78 1rt3 h ILE 522 Ca 0.23 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1rt3 h ILE 522 Cb -0.05 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 35.94 1rt3 h ILE 522 CO -0.07 0.25 -0.25 -0.33 0.00 0.00 0.00 178.15 177.75 1rt3 h GLU 523 N 1.26 -0.56 -0.29 2.37 4.39 0.25 -0.21 114.58 121.79 1rt3 h GLU 523 Ca 0.33 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.14 1rt3 h GLU 523 Cb -0.10 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 1rt3 h GLU 523 CO -0.07 -0.37 -0.22 1.96 -1.16 0.00 0.00 179.01 179.15 1rt3 h GLN 524 N -0.58 -0.19 -0.91 2.33 1.08 -0.49 0.10 115.11 116.45 1rt3 h GLN 524 Ca -0.03 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.36 1rt3 h GLN 524 Cb 0.50 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.87 1rt3 h GLN 524 CO 0.00 -0.13 0.49 -0.07 -0.95 0.00 0.00 178.83 178.17 1rt3 h LEU 525 N -0.20 0.58 -1.16 1.46 3.38 -0.50 0.15 115.31 119.01 1rt3 h LEU 525 Ca 0.15 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1rt3 h LEU 525 Cb 0.44 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1rt3 h LEU 525 CO -0.41 0.20 0.04 0.40 0.09 0.00 0.00 178.44 178.75 1rt3 h ILE 526 N 0.63 1.21 0.00 1.22 2.04 0.10 -2.70 117.51 120.01 1rt3 h ILE 526 Ca 0.52 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1rt3 h ILE 526 Cb 0.80 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1rt3 h ILE 526 CO -0.40 0.28 -0.00 0.11 0.00 0.00 0.00 178.15 178.14 1rt3 h LYS 527 N 0.60 0.00 -7.06 2.37 1.79 0.21 -3.47 116.57 111.01 1rt3 h LYS 527 Ca 0.13 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.13 1rt3 h LYS 527 Cb 0.32 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1rt3 h LYS 527 CO 0.01 0.00 0.39 0.15 -1.08 0.00 0.00 179.45 178.91 1rt3 s LYS 528 N -3.26 3.86 -0.05 3.15 -0.14 -0.68 -4.99 119.74 117.62 1rt3 s LYS 528 Ca 0.06 1.37 -0.23 0.00 -1.36 0.00 0.00 55.97 55.82 1rt3 s LYS 528 Cb 0.05 -2.14 -0.29 0.00 -1.68 0.00 0.00 37.83 33.77 1rt3 s LYS 528 CO 0.66 -0.39 0.91 0.93 -0.76 0.00 0.00 175.35 176.70 1rt3 h GLU 529 N 1.67 0.27 -2.94 1.68 4.39 -0.51 -3.46 114.58 115.68 1rt3 h GLU 529 Ca -0.49 -0.43 -0.18 0.00 0.34 0.00 0.00 59.36 58.60 1rt3 h GLU 529 Cb 1.22 0.15 -0.29 0.00 -0.10 0.00 0.00 28.75 29.73 1rt3 h GLU 529 CO 0.59 1.18 -0.44 0.15 -1.16 0.00 0.00 179.01 179.33 1rt3 s LYS 530 N -2.54 0.25 -0.04 2.33 1.02 -0.93 -4.99 119.74 114.84 1rt3 s LYS 530 Ca -0.14 0.59 0.02 0.00 0.02 0.00 0.00 55.97 56.46 1rt3 s LYS 530 Cb 0.01 -0.10 0.01 0.00 -0.52 0.00 0.00 37.83 37.22 1rt3 s LYS 530 CO 0.81 -0.16 -0.10 0.08 -0.92 0.00 0.00 175.35 175.06 1rt3 s VAL 531 N 1.29 0.91 -0.20 3.17 1.01 -1.26 -0.91 120.40 124.40 1rt3 s VAL 531 Ca -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1rt3 s VAL 531 Cb -0.10 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.51 1rt3 s VAL 531 CO -0.09 0.29 -0.03 -0.47 0.00 0.00 0.00 175.10 174.79 1rt3 s TYR 532 N 0.41 1.82 -0.11 5.22 5.04 -0.55 0.37 117.35 129.54 1rt3 s TYR 532 Ca -0.08 -1.29 -0.16 0.00 -2.44 0.00 0.00 57.07 53.11 1rt3 s TYR 532 Cb -0.12 -1.35 -0.05 0.00 0.35 0.00 0.00 41.96 40.80 1rt3 s TYR 532 CO 0.01 -0.68 0.39 -1.17 -1.34 0.00 0.00 175.55 172.77 1rt3 s LEU 533 N 1.59 4.31 0.03 6.97 0.20 -1.26 -0.68 118.68 129.84 1rt3 s LEU 533 Ca -0.02 0.73 0.06 0.00 0.69 0.00 0.00 54.13 55.59 1rt3 s LEU 533 Cb -0.17 -2.54 -0.02 0.00 -0.43 0.00 0.00 46.19 43.03 1rt3 s LEU 533 CO -0.07 0.12 -0.18 0.00 -0.29 0.00 0.00 176.35 175.93 1rt3 s ALA 534 N 0.16 1.51 -0.03 5.97 0.00 0.87 -4.96 121.76 125.27 1rt3 s ALA 534 Ca 0.22 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1rt3 s ALA 534 Cb -0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1rt3 s ALA 534 CO 0.08 0.34 -0.11 -0.46 0.00 0.00 0.00 175.76 175.61 1rt3 s TRP 535 N -0.69 2.80 0.01 0.00 -0.00 -1.26 -0.90 118.94 118.90 1rt3 s TRP 535 Ca 0.06 -0.09 -0.10 0.00 -0.00 0.00 0.00 56.10 55.97 1rt3 s TRP 535 Cb -0.08 -1.63 0.01 0.00 -0.00 0.00 0.00 33.47 31.77 1rt3 s TRP 535 CO 0.01 0.28 0.21 0.14 -0.00 0.00 0.00 176.95 177.59 1rt3 s VAL 536 N -0.83 0.09 -1.48 5.86 -7.23 -0.59 -4.93 120.40 111.28 1rt3 s VAL 536 Ca 0.13 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1rt3 s VAL 536 Cb -0.11 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.16 1rt3 s VAL 536 CO 0.03 -0.39 0.37 -2.65 -0.31 0.00 0.00 175.10 172.15