#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qe1 n ILE 2 N 0.00 0.00 -3.53 4.25 -5.35 -1.25 -4.83 119.36 108.64 1qe1 n ILE 2 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 1qe1 n ILE 2 Cb 0.00 -0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 37.62 1qe1 n ILE 2 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1qe1 s SER 3 N 1.31 6.67 -0.21 7.28 0.15 -1.18 -4.99 113.70 122.74 1qe1 s SER 3 Ca 0.70 0.80 -0.29 0.00 0.70 0.00 0.00 55.95 57.86 1qe1 s SER 3 Cb -0.99 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 61.04 1qe1 s SER 3 CO 0.51 0.26 2.21 -0.81 1.20 0.00 0.00 173.24 176.61 1qe1 n PRO 4 N 2.38 1.96 -4.03 5.44 -0.04 -1.26 -4.72 135.00 134.74 1qe1 n PRO 4 Ca -0.14 0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1qe1 n PRO 4 Cb 0.52 -3.19 -0.11 0.00 -0.04 0.00 0.00 33.50 30.68 1qe1 n PRO 4 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qe1 s ILE 5 N 8.09 0.38 -0.17 0.52 1.01 -1.26 -5.13 121.20 124.64 1qe1 s ILE 5 Ca 1.01 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 60.42 1qe1 s ILE 5 Cb -0.37 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 1qe1 s ILE 5 CO 0.36 -0.40 0.88 -0.70 0.00 0.00 0.00 174.94 175.08 1qe1 s GLU 6 N -1.46 4.31 0.12 2.79 2.56 -1.26 -4.92 118.70 120.83 1qe1 s GLU 6 Ca -0.11 1.11 -0.31 0.00 0.00 0.00 0.00 54.97 55.65 1qe1 s GLU 6 Cb -0.10 -3.58 -0.08 0.00 2.00 0.00 0.00 34.13 32.38 1qe1 s GLU 6 CO -0.00 -0.37 1.39 0.95 -0.56 0.00 0.00 175.26 176.67 1qe1 s THR 7 N 2.28 3.30 -0.06 -1.70 -4.23 -1.26 -4.99 115.64 108.97 1qe1 s THR 7 Ca 0.40 0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 61.55 1qe1 s THR 7 Cb -0.17 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1qe1 s THR 7 CO 0.12 0.08 1.14 -0.69 -0.54 0.00 0.00 174.62 174.73 1qe1 s VAL 8 N 1.06 4.41 -0.18 2.29 1.01 -1.26 -4.90 120.40 122.83 1qe1 s VAL 8 Ca 0.64 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 64.04 1qe1 s VAL 8 Cb -0.37 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1qe1 s VAL 8 CO 0.31 0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.44 1qe1 s PRO 9 N 2.10 4.25 0.08 2.72 0.04 -1.26 -4.32 135.00 138.60 1qe1 s PRO 9 Ca 0.54 1.57 0.07 0.00 0.04 0.00 0.00 61.00 63.22 1qe1 s PRO 9 Cb -0.23 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1qe1 s PRO 9 CO 0.21 -0.67 -0.15 0.14 0.04 0.00 0.00 177.00 176.57 1qe1 s VAL 10 N 3.36 3.02 0.18 -0.36 -7.23 -1.26 -5.13 120.40 112.98 1qe1 s VAL 10 Ca 0.51 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1qe1 s VAL 10 Cb -0.20 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1qe1 s VAL 10 CO 0.12 0.21 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.53 1qe1 s LYS 11 N -1.85 1.16 0.61 4.82 1.02 -1.26 -4.67 119.74 119.57 1qe1 s LYS 11 Ca 0.18 -1.54 -0.11 0.00 0.02 0.00 0.00 55.97 54.52 1qe1 s LYS 11 Cb -0.11 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.58 1qe1 s LYS 11 CO 0.09 -0.01 1.01 -0.51 -0.92 0.00 0.00 175.35 175.01 1qe1 s LEU 12 N -3.22 3.26 0.94 3.17 1.43 -1.26 -2.34 118.68 120.66 1qe1 s LEU 12 Ca 0.22 1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 1qe1 s LEU 12 Cb 0.04 -4.42 0.16 0.00 0.03 0.00 0.00 46.19 42.00 1qe1 s LEU 12 CO 0.04 -0.85 1.11 0.29 0.23 0.00 0.00 176.35 177.17 1qe1 n LYS 13 N -2.71 -0.64 -1.66 1.70 5.02 0.52 -4.64 118.16 115.74 1qe1 n LYS 13 Ca 0.06 -0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 1qe1 n LYS 13 Cb 0.54 -2.34 0.07 0.00 -0.02 0.00 0.00 35.03 33.28 1qe1 n LYS 13 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qe1 s PRO 14 N -4.58 2.47 0.00 1.97 0.04 -1.26 -3.15 135.00 130.49 1qe1 s PRO 14 Ca 0.67 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1qe1 s PRO 14 Cb -0.23 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1qe1 s PRO 14 CO 0.59 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.45 1qe1 n GLY 15 N 0.45 0.73 3.70 0.56 0.00 -1.26 -4.94 105.19 104.43 1qe1 n GLY 15 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1qe1 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qe1 s MET 16 N 0.00 -0.10 0.26 1.61 -1.94 -1.19 -5.10 119.30 112.84 1qe1 s MET 16 Ca 0.00 0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.08 1qe1 s MET 16 Cb 0.00 -1.71 -0.05 0.00 2.01 0.00 0.00 34.83 35.07 1qe1 s MET 16 CO 0.00 -3.00 0.08 0.34 -0.01 0.00 0.00 175.02 172.43 1qe1 s ASP 17 N -3.96 1.37 0.81 3.03 2.15 -1.26 -4.89 116.67 113.92 1qe1 s ASP 17 Ca 0.69 -1.36 -0.11 0.00 0.43 0.00 0.00 52.55 52.20 1qe1 s ASP 17 Cb -0.12 0.12 0.08 0.00 -0.30 0.00 0.00 42.92 42.70 1qe1 s ASP 17 CO 0.55 -0.69 1.10 -0.83 -0.17 0.00 0.00 175.17 175.13 1qe1 s GLY 18 N -3.32 1.67 0.56 2.66 0.00 -1.26 -4.97 107.32 102.66 1qe1 s GLY 18 Ca 0.36 0.28 -0.19 0.00 0.00 0.00 0.00 44.72 45.18 1qe1 s GLY 18 CO 0.13 0.66 1.11 2.56 0.00 0.00 0.00 173.10 177.56 1qe1 s PRO 19 N -4.86 3.33 -0.27 2.90 0.04 -1.26 -4.99 135.00 129.89 1qe1 s PRO 19 Ca 0.62 1.52 0.18 0.00 0.04 0.00 0.00 61.00 63.37 1qe1 s PRO 19 Cb -0.18 -2.01 0.49 0.00 0.04 0.00 0.00 34.50 32.84 1qe1 s PRO 19 CO 0.57 -0.85 1.12 1.63 0.04 0.00 0.00 177.00 179.51 1qe1 n LYS 20 N -1.46 2.23 -0.24 4.56 5.02 -1.25 -2.38 118.16 124.63 1qe1 n LYS 20 Ca 0.11 -3.69 -0.18 0.00 -2.02 0.00 0.00 58.31 52.53 1qe1 n LYS 20 Cb 0.51 -1.78 0.17 0.00 -0.02 0.00 0.00 35.03 33.92 1qe1 n LYS 20 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qe1 n VAL 21 N -0.60 0.00 -4.25 -0.18 0.31 -0.86 -4.75 118.33 108.00 1qe1 n VAL 21 Ca 0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.35 1qe1 n VAL 21 Cb 0.84 -0.58 -0.10 0.00 -0.91 0.00 0.00 33.84 33.09 1qe1 n VAL 21 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1qe1 s LYS 22 N -3.91 1.04 -0.36 5.55 1.02 -1.26 -4.66 119.74 117.17 1qe1 s LYS 22 Ca 0.40 -1.36 -0.20 0.00 0.02 0.00 0.00 55.97 54.82 1qe1 s LYS 22 Cb -0.07 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1qe1 s LYS 22 CO 0.33 0.11 0.63 -1.14 -0.92 0.00 0.00 175.35 174.37 1qe1 s GLN 23 N -3.30 3.65 0.73 1.68 2.00 -1.26 -4.68 119.66 118.49 1qe1 s GLN 23 Ca 0.13 0.02 -0.16 0.00 -2.00 0.00 0.00 55.36 53.36 1qe1 s GLN 23 Cb -0.01 -3.82 0.02 0.00 0.80 0.00 0.00 33.01 30.00 1qe1 s GLN 23 CO 0.02 -0.75 1.03 -2.67 -0.50 0.00 0.00 175.29 172.42 1qe1 n TRP 24 N 6.05 0.86 -2.49 1.67 4.27 -1.26 -4.94 117.44 121.60 1qe1 n TRP 24 Ca -0.01 0.40 -0.34 0.00 -3.89 0.00 0.00 57.50 53.66 1qe1 n TRP 24 Cb 0.49 -2.10 -0.03 0.00 -1.36 0.00 0.00 31.31 28.30 1qe1 n TRP 24 CO 0.00 0.00 0.00 -1.25 -2.29 0.00 0.00 177.69 174.15 1qe1 s PRO 25 N -3.48 3.78 0.15 -2.67 0.04 -1.26 -4.94 135.00 126.62 1qe1 s PRO 25 Ca 0.74 1.29 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1qe1 s PRO 25 Cb -0.34 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1qe1 s PRO 25 CO 0.50 -0.44 -0.15 -0.51 0.04 0.00 0.00 177.00 176.43 1qe1 s LEU 26 N -3.64 2.44 1.04 -3.56 1.43 -1.26 -5.15 118.68 109.98 1qe1 s LEU 26 Ca 0.66 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1qe1 s LEU 26 Cb -0.15 -0.65 0.21 0.00 0.03 0.00 0.00 46.19 45.63 1qe1 s LEU 26 CO 0.22 -0.12 1.17 0.42 0.23 0.00 0.00 176.35 178.27 1qe1 s THR 27 N -2.28 1.85 0.01 5.49 -4.23 -1.26 -4.82 115.64 110.40 1qe1 s THR 27 Ca 0.13 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 1qe1 s THR 27 Cb -0.04 -2.69 -0.17 0.00 1.34 0.00 0.00 72.50 70.93 1qe1 s THR 27 CO 0.05 0.00 1.32 -0.08 -0.54 0.00 0.00 174.62 175.37 1qe1 h GLU 28 N -1.98 0.15 -0.73 3.99 4.81 -2.01 0.68 114.58 119.48 1qe1 h GLU 28 Ca -0.47 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 58.81 1qe1 h GLU 28 Cb 1.29 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.59 1qe1 h GLU 28 CO 0.45 0.57 0.30 1.49 -0.73 0.00 0.00 179.01 181.09 1qe1 h GLU 29 N -0.27 0.45 -0.15 1.92 4.57 -2.01 -1.61 114.58 117.48 1qe1 h GLU 29 Ca 0.01 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 1qe1 h GLU 29 Cb 0.54 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1qe1 h GLU 29 CO 0.01 0.30 -0.74 0.87 -1.18 0.00 0.00 179.01 178.27 1qe1 h LYS 30 N 0.46 0.71 -0.03 1.92 1.57 -1.88 -3.20 116.57 116.12 1qe1 h LYS 30 Ca 0.39 -0.56 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1qe1 h LYS 30 Cb 0.56 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1qe1 h LYS 30 CO -0.37 1.17 0.02 0.82 -0.57 0.00 0.00 179.45 180.52 1qe1 h ILE 31 N 0.49 1.04 -0.13 1.86 2.04 0.07 -2.31 117.51 120.57 1qe1 h ILE 31 Ca -0.04 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1qe1 h ILE 31 Cb 1.35 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1qe1 h ILE 31 CO 0.15 0.03 -0.16 0.11 0.00 0.00 0.00 178.15 178.28 1qe1 h LYS 32 N -0.00 -0.10 -0.66 2.37 1.57 -1.49 0.16 116.57 118.42 1qe1 h LYS 32 Ca 0.01 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1qe1 h LYS 32 Cb 0.04 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.24 1qe1 h LYS 32 CO -0.00 -0.07 -0.25 0.00 -0.57 0.00 0.00 179.45 178.56 1qe1 h ALA 33 N -0.90 0.23 -0.36 3.86 0.00 -1.53 1.10 119.26 121.66 1qe1 h ALA 33 Ca 0.02 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.26 1qe1 h ALA 33 Cb 0.16 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1qe1 h ALA 33 CO -0.18 -0.54 0.26 -0.07 0.00 0.00 0.00 179.25 178.73 1qe1 h LEU 34 N -0.07 0.00 0.07 0.00 3.38 -0.52 -0.31 115.31 117.86 1qe1 h LEU 34 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1qe1 h LEU 34 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qe1 h LEU 34 CO -0.71 0.00 -0.04 0.58 0.09 0.00 0.00 178.44 178.36 1qe1 h VAL 35 N 0.00 1.21 0.24 1.22 2.07 0.40 -1.55 116.25 119.84 1qe1 h VAL 35 Ca 0.17 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1qe1 h VAL 35 Cb 0.69 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1qe1 h VAL 35 CO -0.00 0.28 -0.29 -0.33 0.02 0.00 0.00 177.57 177.25 1qe1 h GLU 36 N -0.66 -0.53 -1.17 1.57 3.07 0.29 -0.84 114.58 116.32 1qe1 h GLU 36 Ca -0.01 0.04 0.34 0.00 -0.50 0.00 0.00 59.36 59.22 1qe1 h GLU 36 Cb 0.54 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 1qe1 h GLU 36 CO 0.02 -0.35 1.21 0.82 -1.40 0.00 0.00 179.01 179.31 1qe1 h ILE 37 N -0.55 0.03 0.04 3.13 2.04 -1.31 -0.57 117.51 120.33 1qe1 h ILE 37 Ca -0.03 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.51 1qe1 h ILE 37 Cb 0.48 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1qe1 h ILE 37 CO -0.06 0.00 -1.87 0.00 0.00 0.00 0.00 178.15 176.22 1qe1 h THR 39 N 0.02 1.19 0.72 0.00 1.35 -0.18 -2.20 112.91 113.81 1qe1 h THR 39 Ca -0.36 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 64.86 1qe1 h THR 39 Cb 2.03 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 69.60 1qe1 h THR 39 CO 0.07 0.20 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.86 1qe1 h GLU 40 N 0.22 -0.93 -0.50 4.72 4.39 -1.73 -0.50 114.58 120.24 1qe1 h GLU 40 Ca 0.08 0.06 0.15 0.00 0.34 0.00 0.00 59.36 59.99 1qe1 h GLU 40 Cb 0.23 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1qe1 h GLU 40 CO -0.00 -0.60 0.66 1.98 -1.16 0.00 0.00 179.01 179.89 1qe1 h MET 41 N -1.14 0.00 0.07 2.33 4.05 -1.61 0.49 114.93 119.13 1qe1 h MET 41 Ca -0.10 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.02 1qe1 h MET 41 Cb 0.77 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 1qe1 h MET 41 CO 0.16 0.00 -1.57 1.49 0.23 0.00 0.00 176.91 177.22 1qe1 h GLU 42 N 0.00 0.15 0.32 0.39 4.81 -0.91 0.37 114.58 119.70 1qe1 h GLU 42 Ca 0.24 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1qe1 h GLU 42 Cb 1.56 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.04 1qe1 h GLU 42 CO -0.00 0.94 -0.15 0.87 -0.73 0.00 0.00 179.01 179.93 1qe1 h LYS 43 N 0.04 -0.41 0.00 1.92 1.57 0.15 -2.57 116.57 117.27 1qe1 h LYS 43 Ca -0.25 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1qe1 h LYS 43 Cb 1.99 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.39 1qe1 h LYS 43 CO 0.13 -0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.32 1qe1 n GLU 44 N -5.10 0.00 -1.57 3.15 1.02 0.72 -4.73 120.64 114.13 1qe1 n GLU 44 Ca -0.09 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.87 1qe1 n GLU 44 Cb 0.27 -1.31 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 1qe1 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qe1 n GLY 45 N -0.64 1.67 0.09 0.62 0.00 -0.97 -4.92 105.19 101.04 1qe1 n GLY 45 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1qe1 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qe1 h LYS 46 N 0.00 0.15 -6.58 1.61 1.57 -1.14 -3.46 116.57 108.71 1qe1 h LYS 46 Ca -0.38 -0.14 -0.66 0.00 -1.87 0.00 0.00 60.65 57.60 1qe1 h LYS 46 Cb 1.19 0.04 -0.26 0.00 0.08 0.00 0.00 32.23 33.28 1qe1 h LYS 46 CO 0.54 0.86 -0.87 0.96 -0.57 0.00 0.00 179.45 180.37 1qe1 s ILE 47 N -3.26 2.03 0.01 1.86 -4.36 -1.21 -0.17 121.20 116.09 1qe1 s ILE 47 Ca -0.16 -1.38 0.08 0.00 -0.26 0.00 0.00 60.65 58.92 1qe1 s ILE 47 Cb 0.01 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 1qe1 s ILE 47 CO 0.73 0.29 -0.23 -0.44 0.24 0.00 0.00 174.94 175.53 1qe1 s SER 48 N -1.32 3.40 0.57 4.36 0.01 -0.85 -4.48 113.70 115.39 1qe1 s SER 48 Ca 0.11 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.70 1qe1 s SER 48 Cb -0.10 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1qe1 s SER 48 CO 0.02 0.29 1.30 -0.54 0.41 0.00 0.00 173.24 174.72 1qe1 s LYS 49 N -1.04 3.06 0.09 12.44 1.02 -1.26 -1.49 119.74 132.56 1qe1 s LYS 49 Ca 0.12 2.08 0.03 0.00 0.02 0.00 0.00 55.97 58.22 1qe1 s LYS 49 Cb -0.10 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1qe1 s LYS 49 CO 0.02 -1.21 -0.08 0.96 -0.92 0.00 0.00 175.35 174.12 1qe1 s ILE 50 N -1.39 0.77 0.00 2.17 -4.36 -0.55 -4.83 121.20 113.00 1qe1 s ILE 50 Ca 0.74 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1qe1 s ILE 50 Cb -0.37 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.01 1qe1 s ILE 50 CO 0.42 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.57 1qe1 n GLY 51 N 0.50 -0.32 0.13 6.27 0.00 -1.26 -4.65 105.19 105.86 1qe1 n GLY 51 Ca -0.16 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 1qe1 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qe1 h PRO 52 N 0.00 0.29 0.00 1.61 0.13 -2.03 -3.36 132.00 128.65 1qe1 h PRO 52 Ca 0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qe1 h PRO 52 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1qe1 h PRO 52 CO 0.00 1.24 0.00 -0.85 -0.23 0.00 0.00 178.00 178.16 1qe1 n GLU 53 N -3.86 0.00 -3.77 0.86 0.00 -1.26 -3.88 120.64 108.73 1qe1 n GLU 53 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.56 1qe1 n GLU 53 Cb 0.94 -1.32 -0.11 0.00 0.00 0.00 0.00 31.44 30.94 1qe1 n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1qe1 s ASN 54 N -0.89 5.27 0.32 -1.84 2.47 -1.26 -4.96 114.94 114.05 1qe1 s ASN 54 Ca 0.00 -2.08 0.09 0.00 0.42 0.00 0.00 52.86 51.29 1qe1 s ASN 54 Cb 0.00 -1.84 0.88 0.00 -1.45 0.00 0.00 41.25 38.85 1qe1 s ASN 54 CO 0.00 -0.54 1.73 -0.65 -3.72 0.00 0.00 177.10 173.92 1qe1 h PRO 55 N 7.99 0.55 -7.33 0.43 0.11 -1.94 -3.46 132.00 128.36 1qe1 h PRO 55 Ca -0.12 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.46 1qe1 h PRO 55 Cb 1.04 -0.12 0.14 0.00 0.11 0.00 0.00 31.00 32.17 1qe1 h PRO 55 CO 0.71 0.36 0.28 0.71 -0.21 0.00 0.00 178.00 179.85 1qe1 s TYR 56 N -5.78 2.44 -0.18 0.65 1.51 -1.26 -4.91 117.35 109.82 1qe1 s TYR 56 Ca -0.11 1.36 -0.30 0.00 -1.01 0.00 0.00 57.07 57.01 1qe1 s TYR 56 Cb 0.27 -3.11 0.14 0.00 -0.11 0.00 0.00 41.96 39.15 1qe1 s TYR 56 CO 0.80 -2.14 1.11 1.21 -1.11 0.00 0.00 175.55 175.42 1qe1 s ASN 57 N -3.44 -0.25 0.04 2.29 3.84 -1.00 -4.77 114.94 111.66 1qe1 s ASN 57 Ca 0.62 0.22 -0.01 0.00 0.21 0.00 0.00 52.86 53.91 1qe1 s ASN 57 Cb -0.17 0.22 -0.03 0.00 -0.55 0.00 0.00 41.25 40.71 1qe1 s ASN 57 CO 0.56 -0.27 -0.03 -0.89 -2.79 0.00 0.00 177.10 173.68 1qe1 s THR 58 N -1.43 0.22 0.28 -5.21 2.01 -0.81 -2.03 115.64 108.67 1qe1 s THR 58 Ca 0.03 -1.58 -0.17 0.00 0.31 0.00 0.00 61.69 60.28 1qe1 s THR 58 Cb -0.01 -1.21 -0.09 0.00 0.01 0.00 0.00 72.50 71.21 1qe1 s THR 58 CO -0.03 -0.86 0.73 -2.84 -0.69 0.00 0.00 174.62 170.94 1qe1 s PRO 59 N -3.28 4.10 0.07 4.92 0.02 -1.26 -4.15 135.00 135.43 1qe1 s PRO 59 Ca 0.01 0.75 0.04 0.00 0.02 0.00 0.00 61.00 61.83 1qe1 s PRO 59 Cb 0.03 -2.60 -0.03 0.00 0.02 0.00 0.00 34.50 31.92 1qe1 s PRO 59 CO -0.07 0.25 -0.12 0.14 -0.33 0.00 0.00 177.00 176.87 1qe1 s VAL 60 N -1.81 0.96 0.23 3.83 -7.23 -1.26 -0.04 120.40 115.08 1qe1 s VAL 60 Ca 0.50 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 1qe1 s VAL 60 Cb -0.13 -1.06 0.04 0.00 0.56 0.00 0.00 36.38 35.80 1qe1 s VAL 60 CO 0.19 -0.35 0.84 0.72 -0.31 0.00 0.00 175.10 176.19 1qe1 s PHE 61 N -1.61 -0.13 -0.28 2.82 -0.12 0.60 -4.96 117.98 114.29 1qe1 s PHE 61 Ca -0.01 -0.28 -0.03 0.00 -0.05 0.00 0.00 56.93 56.56 1qe1 s PHE 61 Cb -0.08 0.69 0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1qe1 s PHE 61 CO 0.01 -1.07 -0.01 0.00 -0.05 0.00 0.00 175.22 174.10 1qe1 s ALA 62 N -3.45 2.81 0.28 1.99 0.00 -1.26 0.02 121.76 122.15 1qe1 s ALA 62 Ca 0.12 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1qe1 s ALA 62 Cb -0.04 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1qe1 s ALA 62 CO 0.05 -1.06 0.00 0.44 0.00 0.00 0.00 175.76 175.19 1qe1 n ILE 63 N 4.68 0.00 -2.86 0.00 -5.35 -0.73 -4.88 119.36 110.22 1qe1 n ILE 63 Ca -0.15 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.36 1qe1 n ILE 63 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1qe1 n ILE 63 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1qe1 s LYS 64 N 1.27 0.17 0.05 6.28 2.20 -1.26 -4.03 119.74 124.42 1qe1 s LYS 64 Ca 0.00 -0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1qe1 s LYS 64 Cb 0.00 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.37 1qe1 s LYS 64 CO 0.00 -0.26 0.38 1.63 -0.36 0.00 0.00 175.35 176.75 1qe1 n LYS 65 N 4.02 -0.08 0.00 4.03 4.01 -1.26 -4.73 118.16 124.14 1qe1 n LYS 65 Ca 0.06 0.38 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 1qe1 n LYS 65 Cb 0.62 -0.56 0.00 0.00 -0.51 0.00 0.00 35.03 34.58 1qe1 n LYS 65 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1qe1 n LYS 66 N -4.34 0.00 -2.42 1.97 5.02 -1.26 -4.90 118.16 112.22 1qe1 n LYS 66 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1qe1 n LYS 66 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.07 1qe1 n LYS 66 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1qe1 s ASP 67 N 1.12 7.00 -1.64 4.39 3.84 -1.26 -4.26 116.67 125.86 1qe1 s ASP 67 Ca 0.00 1.81 -0.16 0.00 -0.00 0.00 0.00 52.55 54.20 1qe1 s ASP 67 Cb 0.00 -2.55 0.13 0.00 -1.38 0.00 0.00 42.92 39.12 1qe1 s ASP 67 CO 0.00 -0.65 0.81 -1.54 -0.00 0.00 0.00 175.17 173.79 1qe1 n SER 68 N 5.65 -3.44 0.00 2.11 3.41 -1.26 -4.99 113.62 115.10 1qe1 n SER 68 Ca 0.12 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1qe1 n SER 68 Cb 0.46 -3.05 0.00 0.00 -0.26 0.00 0.00 64.21 61.35 1qe1 n SER 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qe1 n THR 69 N -4.46 0.00 -5.22 6.66 -1.04 -1.26 -5.11 114.28 103.86 1qe1 n THR 69 Ca 0.04 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.75 1qe1 n THR 69 Cb 0.51 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.87 1qe1 n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qe1 s LYS 70 N 2.88 1.98 0.27 -2.82 3.01 -1.26 -5.11 119.74 118.69 1qe1 s LYS 70 Ca 0.00 -0.88 -0.30 0.00 -1.01 0.00 0.00 55.97 53.77 1qe1 s LYS 70 Cb 0.00 -1.92 -0.11 0.00 -1.01 0.00 0.00 37.83 34.79 1qe1 s LYS 70 CO 0.00 0.53 1.59 -1.58 0.51 0.00 0.00 175.35 176.40 1qe1 s TRP 71 N -0.58 2.83 -0.27 3.18 0.52 -1.26 -4.65 118.94 118.71 1qe1 s TRP 71 Ca 0.09 0.74 -0.05 0.00 0.02 0.00 0.00 56.10 56.91 1qe1 s TRP 71 Cb -0.09 -4.03 0.01 0.00 -1.15 0.00 0.00 33.47 28.20 1qe1 s TRP 71 CO -0.01 -3.56 0.02 0.50 0.02 0.00 0.00 176.95 173.92 1qe1 s ARG 72 N -0.12 3.04 0.36 4.98 3.52 -1.26 -5.01 118.95 124.47 1qe1 s ARG 72 Ca 0.65 -0.87 -0.28 0.00 -0.13 0.00 0.00 55.73 55.11 1qe1 s ARG 72 Cb -0.47 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 29.62 1qe1 s ARG 72 CO 0.44 -0.40 1.30 0.21 -0.81 0.00 0.00 175.30 176.04 1qe1 s LYS 73 N 1.44 4.21 -0.03 5.12 2.20 -1.26 -1.78 119.74 129.64 1qe1 s LYS 73 Ca 0.02 2.18 0.04 0.00 -0.36 0.00 0.00 55.97 57.85 1qe1 s LYS 73 Cb -0.17 -2.95 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1qe1 s LYS 73 CO -0.00 -0.30 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.37 1qe1 s LEU 74 N -2.04 1.90 -0.08 5.43 2.96 0.10 -4.87 118.68 122.08 1qe1 s LEU 74 Ca 0.52 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1qe1 s LEU 74 Cb -0.39 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 1qe1 s LEU 74 CO 0.51 0.13 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.75 1qe1 s VAL 75 N -0.00 1.99 -1.23 1.68 1.01 -1.26 -0.29 120.40 122.30 1qe1 s VAL 75 Ca -0.01 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 1qe1 s VAL 75 Cb -0.09 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.69 1qe1 s VAL 75 CO 0.01 0.55 1.58 -0.62 0.00 0.00 0.00 175.10 176.62 1qe1 s ASP 76 N 0.10 6.87 -0.02 3.32 2.15 0.94 -4.78 116.67 125.26 1qe1 s ASP 76 Ca -0.11 -2.51 0.06 0.00 0.43 0.00 0.00 52.55 50.42 1qe1 s ASP 76 Cb -0.16 -2.51 0.21 0.00 -0.30 0.00 0.00 42.92 40.16 1qe1 s ASP 76 CO 0.06 -1.06 1.09 0.49 -0.17 0.00 0.00 175.17 175.58 1qe1 n PHE 77 N 7.47 0.38 -0.31 -5.34 3.01 -1.26 -4.27 117.46 117.14 1qe1 n PHE 77 Ca 0.42 -0.16 0.08 0.00 1.01 0.00 0.00 57.45 58.80 1qe1 n PHE 77 Cb 0.46 -0.05 0.24 0.00 -0.01 0.00 0.00 39.48 40.12 1qe1 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qe1 h ARG 78 N 1.27 0.62 -0.25 -1.08 3.08 -1.90 0.20 114.38 116.33 1qe1 h ARG 78 Ca 0.00 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1qe1 h ARG 78 Cb 0.45 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1qe1 h ARG 78 CO 0.04 0.41 -0.55 1.49 -1.07 0.00 0.00 179.97 180.29 1qe1 h GLU 79 N 0.64 0.75 -0.10 0.04 4.57 -2.00 -2.77 114.58 115.70 1qe1 h GLU 79 Ca 0.49 -0.47 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1qe1 h GLU 79 Cb 0.71 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1qe1 h GLU 79 CO -0.37 1.10 -0.56 1.25 -1.18 0.00 0.00 179.01 179.25 1qe1 h LEU 80 N 0.57 0.35 0.82 1.64 5.85 -1.29 -2.97 115.31 120.28 1qe1 h LEU 80 Ca 0.01 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1qe1 h LEU 80 Cb 1.13 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.07 1qe1 h LEU 80 CO 0.11 0.84 -0.39 0.78 -0.34 0.00 0.00 178.44 179.44 1qe1 h ASN 81 N 0.24 -0.94 -0.89 1.25 2.35 -0.61 0.77 115.58 117.75 1qe1 h ASN 81 Ca 0.00 0.03 0.24 0.00 -0.55 0.00 0.00 56.30 56.02 1qe1 h ASN 81 Cb 1.06 0.24 -0.14 0.00 0.05 0.00 0.00 38.32 39.53 1qe1 h ASN 81 CO 0.09 -0.67 0.32 0.11 -1.65 0.00 0.00 177.43 175.64 1qe1 h LYS 82 N -1.10 0.27 0.00 0.81 1.57 -1.49 -0.01 116.57 116.62 1qe1 h LYS 82 Ca -0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1qe1 h LYS 82 Cb 0.84 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1qe1 h LYS 82 CO 0.18 0.18 -0.31 0.54 -0.57 0.00 0.00 179.45 179.48 1qe1 n ARG 83 N -5.15 0.11 -3.04 3.15 1.74 -0.97 -4.84 116.66 107.66 1qe1 n ARG 83 Ca 0.23 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.96 1qe1 n ARG 83 Cb 0.71 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 1qe1 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1qe1 s THR 84 N -3.05 5.03 -0.40 0.55 2.01 0.22 -0.36 115.64 119.64 1qe1 s THR 84 Ca 0.11 1.44 -0.36 0.00 0.31 0.00 0.00 61.69 63.18 1qe1 s THR 84 Cb 0.16 -4.04 -0.16 0.00 0.01 0.00 0.00 72.50 68.48 1qe1 s THR 84 CO 0.64 0.22 1.47 0.00 -0.69 0.00 0.00 174.62 176.25 1qe1 n GLN 85 N 4.05 0.00 -1.81 4.92 10.64 -0.99 -4.79 117.38 129.39 1qe1 n GLN 85 Ca -0.01 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 1qe1 n GLN 85 Cb 0.51 -1.20 0.05 0.00 -0.86 0.00 0.00 30.24 28.74 1qe1 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1qe1 s ASP 86 N 3.46 5.08 0.08 2.61 1.11 -1.26 -4.93 116.67 122.81 1qe1 s ASP 86 Ca 0.89 2.67 -0.09 0.00 0.18 0.00 0.00 52.55 56.20 1qe1 s ASP 86 Cb -1.20 -2.63 -0.06 0.00 1.07 0.00 0.00 42.92 40.11 1qe1 s ASP 86 CO 0.60 -1.69 0.38 -0.36 1.18 0.00 0.00 175.17 175.28 1qe1 s PHE 87 N -1.37 3.57 0.00 4.23 0.40 -1.26 -5.03 117.98 118.52 1qe1 s PHE 87 Ca 0.75 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.82 1qe1 s PHE 87 Cb -0.38 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1qe1 s PHE 87 CO 0.43 0.52 0.00 -2.67 0.70 0.00 0.00 175.22 174.20 1qe1 n TRP 88 N 0.83 0.00 0.00 0.36 2.14 -1.26 -4.41 117.44 115.10 1qe1 n TRP 88 Ca -0.08 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.49 1qe1 n TRP 88 Cb 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 1qe1 n TRP 88 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 1qe1 n GLU 89 N -0.45 1.60 -2.09 -2.67 -0.00 -1.26 -5.00 120.64 110.76 1qe1 n GLU 89 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 56.88 1qe1 n GLU 89 Cb 0.00 -0.16 -0.05 0.00 -0.00 0.00 0.00 31.44 31.24 1qe1 n GLU 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1qe1 s VAL 90 N -0.15 3.49 1.19 3.84 1.01 -1.26 -4.90 120.40 123.63 1qe1 s VAL 90 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1qe1 s VAL 90 Cb 0.00 -4.10 0.29 0.00 0.00 0.00 0.00 36.38 32.56 1qe1 s VAL 90 CO 0.00 -1.03 1.14 -1.10 0.00 0.00 0.00 175.10 174.11 1qe1 s GLN 91 N 6.82 -1.16 0.39 2.72 -1.52 -1.26 -4.82 119.66 120.84 1qe1 s GLN 91 Ca 0.68 -0.18 0.06 0.00 -1.95 0.00 0.00 55.36 53.97 1qe1 s GLN 91 Cb -0.06 -1.61 0.79 0.00 -0.22 0.00 0.00 33.01 31.91 1qe1 s GLN 91 CO -0.01 -3.65 2.01 -0.07 -0.25 0.00 0.00 175.29 173.32 1qe1 h LEU 92 N -2.53 0.47 0.00 2.90 3.38 -1.90 -3.41 115.31 114.23 1qe1 h LEU 92 Ca -0.44 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1qe1 h LEU 92 Cb 1.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1qe1 h LEU 92 CO 0.32 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1qe1 n GLY 93 N -1.31 5.46 3.27 0.83 0.00 -1.26 -4.64 105.19 107.54 1qe1 n GLY 93 Ca 0.03 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1qe1 n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qe1 s ILE 94 N 2.64 0.43 -0.88 -0.61 -0.00 -1.26 -4.96 121.20 116.57 1qe1 s ILE 94 Ca 0.00 -1.99 -0.26 0.00 -0.00 0.00 0.00 60.65 58.40 1qe1 s ILE 94 Cb 0.00 -2.49 -0.20 0.00 -0.00 0.00 0.00 42.46 39.77 1qe1 s ILE 94 CO 0.00 -0.10 2.53 -0.81 -0.00 0.00 0.00 174.94 176.55 1qe1 n PRO 95 N -0.37 0.26 -0.78 0.37 -0.04 -1.26 -4.62 135.00 128.56 1qe1 n PRO 95 Ca -0.01 -0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 1qe1 n PRO 95 Cb 0.66 -1.97 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 1qe1 n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1qe1 n HIS 96 N 11.34 0.77 -1.40 0.54 -0.00 -1.26 -4.71 115.22 120.50 1qe1 n HIS 96 Ca 0.59 0.51 -0.11 0.00 0.46 0.00 0.00 57.72 59.16 1qe1 n HIS 96 Cb 0.19 -1.09 -0.09 0.00 -0.12 0.00 0.00 29.99 28.87 1qe1 n HIS 96 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1qe1 n PRO 97 N 2.44 0.15 -0.63 1.57 -0.04 -1.26 -4.82 135.00 132.39 1qe1 n PRO 97 Ca 0.18 -0.80 0.48 0.00 -0.04 0.00 0.00 63.50 63.32 1qe1 n PRO 97 Cb -0.03 -2.64 0.75 0.00 -0.04 0.00 0.00 33.50 31.55 1qe1 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qe1 n ALA 98 N 13.32 1.71 -0.17 0.55 0.00 -1.26 -0.12 120.51 134.54 1qe1 n ALA 98 Ca 0.35 0.65 0.12 0.00 0.00 0.00 0.00 53.44 54.56 1qe1 n ALA 98 Cb 0.42 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 19.11 1qe1 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qe1 n GLY 99 N -1.80 2.26 0.32 0.00 0.00 -1.26 -4.34 105.19 100.37 1qe1 n GLY 99 Ca 0.41 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1qe1 n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qe1 h LEU 100 N 4.36 0.27 -0.28 0.99 5.85 -0.81 -1.86 115.31 123.84 1qe1 h LEU 100 Ca 0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1qe1 h LEU 100 Cb 0.99 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1qe1 h LEU 100 CO 0.00 0.18 -0.32 0.07 -0.34 0.00 0.00 178.44 178.03 1qe1 h LYS 101 N 0.31 0.00 -0.02 1.25 2.10 -1.76 -3.30 116.57 115.16 1qe1 h LYS 101 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1qe1 h LYS 101 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1qe1 h LYS 101 CO -0.04 0.32 -0.07 1.63 -2.00 0.00 0.00 179.45 179.30 1qe1 n LYS 102 N -3.23 1.68 -2.24 0.07 5.02 -0.71 -4.33 118.16 114.42 1qe1 n LYS 102 Ca 0.02 -1.15 -0.37 0.00 -2.02 0.00 0.00 58.31 54.80 1qe1 n LYS 102 Cb 0.62 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1qe1 n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qe1 s LYS 103 N -2.11 3.63 0.53 1.97 -0.14 -1.17 -4.83 119.74 117.62 1qe1 s LYS 103 Ca 0.32 1.75 0.25 0.00 -1.36 0.00 0.00 55.97 56.93 1qe1 s LYS 103 Cb 0.20 -2.30 1.49 0.00 -1.68 0.00 0.00 37.83 35.55 1qe1 s LYS 103 CO 0.37 -0.65 2.14 -0.22 -0.76 0.00 0.00 175.35 176.23 1qe1 h LYS 104 N 1.81 0.00 -3.56 1.68 3.11 -1.89 -3.35 116.57 114.36 1qe1 h LYS 104 Ca -0.50 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.28 1qe1 h LYS 104 Cb 1.25 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.36 1qe1 h LYS 104 CO 0.59 0.07 -0.17 -1.12 -2.81 0.00 0.00 179.45 176.01 1qe1 s SER 105 N -6.42 -0.10 -0.14 4.20 0.01 -1.05 -4.63 113.70 105.57 1qe1 s SER 105 Ca -0.04 -0.51 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 1qe1 s SER 105 Cb 0.15 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.88 1qe1 s SER 105 CO 0.60 -0.86 0.33 -0.69 0.41 0.00 0.00 173.24 173.03 1qe1 s VAL 106 N -3.85 -0.03 0.02 3.43 1.01 0.22 -2.85 120.40 118.35 1qe1 s VAL 106 Ca 0.07 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.23 1qe1 s VAL 106 Cb 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1qe1 s VAL 106 CO -0.09 0.05 -0.19 -0.89 0.00 0.00 0.00 175.10 173.99 1qe1 s THR 107 N 1.32 2.72 -0.18 3.92 2.01 0.27 -0.88 115.64 124.82 1qe1 s THR 107 Ca -0.09 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 1qe1 s THR 107 Cb -0.09 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1qe1 s THR 107 CO -0.11 0.40 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.52 1qe1 s VAL 108 N -0.86 4.00 -0.10 3.82 1.01 0.30 0.08 120.40 128.65 1qe1 s VAL 108 Ca 0.14 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1qe1 s VAL 108 Cb -0.10 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1qe1 s VAL 108 CO 0.04 0.45 -0.21 -0.76 0.00 0.00 0.00 175.10 174.62 1qe1 s LEU 109 N 0.73 2.00 -0.88 3.92 1.43 -0.04 -2.30 118.68 123.54 1qe1 s LEU 109 Ca -0.00 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 1qe1 s LEU 109 Cb -0.14 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1qe1 s LEU 109 CO 0.02 0.12 1.54 -0.62 0.23 0.00 0.00 176.35 177.65 1qe1 s ASP 110 N 0.47 6.03 0.19 2.29 -1.08 -1.26 -0.55 116.67 122.76 1qe1 s ASP 110 Ca -0.16 -0.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.27 1qe1 s ASP 110 Cb -0.17 -2.56 0.90 0.00 -1.46 0.00 0.00 42.92 39.63 1qe1 s ASP 110 CO 0.07 -1.92 1.75 0.52 0.52 0.00 0.00 175.17 176.11 1qe1 n VAL 111 N 6.97 0.64 -0.07 1.11 0.31 -1.12 -4.53 118.33 121.64 1qe1 n VAL 111 Ca 0.25 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1qe1 n VAL 111 Cb 0.50 -0.81 0.08 0.00 -0.91 0.00 0.00 33.84 32.70 1qe1 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qe1 n GLY 112 N 0.77 -0.22 0.25 2.92 0.00 -1.25 -0.89 105.19 106.77 1qe1 n GLY 112 Ca 0.04 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.32 1qe1 n GLY 112 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qe1 h ASP 113 N 0.00 0.00 -0.83 1.61 5.19 -1.90 -2.77 116.42 117.72 1qe1 h ASP 113 Ca 0.14 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.73 1qe1 h ASP 113 Cb 0.33 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.69 1qe1 h ASP 113 CO -0.18 0.06 -0.17 0.00 -3.12 0.00 0.00 179.24 175.84 1qe1 h ALA 114 N 1.94 0.62 0.00 3.45 0.00 -1.37 0.37 119.26 124.26 1qe1 h ALA 114 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1qe1 h ALA 114 Cb 0.11 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1qe1 h ALA 114 CO 0.01 -0.42 0.07 0.66 0.00 0.00 0.00 179.25 179.57 1qe1 n TYR 115 N -5.51 0.61 1.19 0.00 4.02 -1.05 -3.08 117.16 113.35 1qe1 n TYR 115 Ca 0.13 0.32 0.09 0.00 -0.01 0.00 0.00 57.90 58.43 1qe1 n TYR 115 Cb 0.45 -0.97 0.56 0.00 -0.02 0.00 0.00 39.34 39.36 1qe1 n TYR 115 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1qe1 n PHE 116 N -2.15 0.00 -0.12 -0.72 0.99 0.13 -3.01 117.46 112.58 1qe1 n PHE 116 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.23 1qe1 n PHE 116 Cb 0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.47 1qe1 n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1qe1 n SER 117 N -0.99 2.00 -4.75 4.37 3.41 -1.18 -4.35 113.62 112.13 1qe1 n SER 117 Ca 0.14 0.05 -0.38 0.00 -0.26 0.00 0.00 58.87 58.42 1qe1 n SER 117 Cb 0.06 -0.54 0.04 0.00 -0.26 0.00 0.00 64.21 63.51 1qe1 n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qe1 s VAL 118 N -2.48 2.22 0.35 -3.33 1.01 -1.16 -3.11 120.40 113.89 1qe1 s VAL 118 Ca -0.34 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1qe1 s VAL 118 Cb 0.11 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1qe1 s VAL 118 CO 0.51 -0.00 0.58 -2.16 0.00 0.00 0.00 175.10 174.02 1qe1 s PRO 119 N -2.90 3.53 -0.15 2.72 0.04 -1.26 -3.45 135.00 133.52 1qe1 s PRO 119 Ca 0.71 -0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 1qe1 s PRO 119 Cb -0.39 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 1qe1 s PRO 119 CO 0.46 0.12 -0.02 -1.17 0.04 0.00 0.00 177.00 176.43 1qe1 s LEU 120 N -4.16 3.39 -0.46 -3.56 2.96 0.87 -4.59 118.68 113.13 1qe1 s LEU 120 Ca 0.42 -0.05 -0.42 0.00 -0.22 0.00 0.00 54.13 53.85 1qe1 s LEU 120 Cb -0.10 -1.82 -0.18 0.00 0.50 0.00 0.00 46.19 44.59 1qe1 s LEU 120 CO 0.36 0.21 1.67 -0.67 -1.32 0.00 0.00 176.35 176.59 1qe1 n ASP 121 N 3.30 0.96 -0.38 3.68 -0.08 -1.26 -4.75 116.55 118.02 1qe1 n ASP 121 Ca -0.17 0.92 0.35 0.00 -1.51 0.00 0.00 54.79 54.38 1qe1 n ASP 121 Cb 0.53 -0.82 0.62 0.00 2.34 0.00 0.00 41.12 43.78 1qe1 n ASP 121 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1qe1 n GLU 122 N 4.92 -0.05 0.01 -0.67 0.00 -1.26 -1.53 120.64 122.07 1qe1 n GLU 122 Ca 0.37 1.32 -0.13 0.00 0.00 0.00 0.00 57.16 58.72 1qe1 n GLU 122 Cb -0.05 -2.46 -0.09 0.00 0.00 0.00 0.00 31.44 28.84 1qe1 n GLU 122 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1qe1 h ASP 123 N 0.00 -0.04 0.03 4.31 3.32 -1.96 -3.13 116.42 118.95 1qe1 h ASP 123 Ca 0.86 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1qe1 h ASP 123 Cb 2.47 0.01 0.00 0.00 0.22 0.00 0.00 39.33 42.03 1qe1 h ASP 123 CO -0.65 0.42 0.00 0.33 -1.72 0.00 0.00 179.24 177.62 1qe1 n PHE 124 N -4.90 0.00 0.15 4.55 7.35 -0.58 -3.44 117.46 120.59 1qe1 n PHE 124 Ca -0.08 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.61 1qe1 n PHE 124 Cb 0.24 -0.27 0.30 0.00 0.35 0.00 0.00 39.48 40.10 1qe1 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qe1 h ARG 125 N 0.00 0.10 0.00 -4.13 3.08 -1.49 -3.03 114.38 108.91 1qe1 h ARG 125 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1qe1 h ARG 125 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1qe1 h ARG 125 CO 0.00 0.47 -0.25 1.57 -1.07 0.00 0.00 179.97 180.69 1qe1 h LYS 126 N 0.09 0.00 -0.10 0.04 2.10 -1.80 -2.87 116.57 114.03 1qe1 h LYS 126 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1qe1 h LYS 126 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1qe1 h LYS 126 CO 0.05 0.25 0.00 0.66 -2.00 0.00 0.00 179.45 178.41 1qe1 n TYR 127 N -4.04 0.00 -0.09 0.07 0.53 -1.15 -2.46 117.16 110.02 1qe1 n TYR 127 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.86 1qe1 n TYR 127 Cb 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.62 1qe1 n TYR 127 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1qe1 n THR 128 N -0.41 0.67 -1.60 -0.72 -2.24 -1.08 -4.78 114.28 104.13 1qe1 n THR 128 Ca 0.00 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.55 1qe1 n THR 128 Cb 0.02 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 1qe1 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qe1 n ALA 129 N -0.34 -0.07 -2.27 6.98 0.00 -1.03 -4.43 120.51 119.36 1qe1 n ALA 129 Ca 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.70 1qe1 n ALA 129 Cb 0.21 -2.04 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 1qe1 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1qe1 s PHE 130 N -1.13 0.39 0.02 0.00 -0.12 -0.36 -1.93 117.98 114.84 1qe1 s PHE 130 Ca 0.59 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 56.62 1qe1 s PHE 130 Cb -0.65 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 41.45 1qe1 s PHE 130 CO 0.59 -0.43 -0.11 0.99 -0.05 0.00 0.00 175.22 176.22 1qe1 s THR 131 N -3.82 0.84 -0.25 -4.49 2.01 -1.26 -1.84 115.64 106.84 1qe1 s THR 131 Ca 0.06 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 1qe1 s THR 131 Cb 0.06 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1qe1 s THR 131 CO -0.10 0.06 0.08 -0.63 -0.69 0.00 0.00 174.62 173.34 1qe1 s ILE 132 N -0.59 4.48 0.71 1.82 1.01 -0.43 -4.75 121.20 123.45 1qe1 s ILE 132 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1qe1 s ILE 132 Cb -0.06 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1qe1 s ILE 132 CO 0.00 0.34 1.18 -0.81 0.00 0.00 0.00 174.94 175.65 1qe1 n PRO 133 N 4.79 0.69 -5.03 2.79 -0.04 -1.26 -2.61 135.00 134.33 1qe1 n PRO 133 Ca -0.16 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1qe1 n PRO 133 Cb 0.52 -2.42 -0.17 0.00 -0.04 0.00 0.00 33.50 31.39 1qe1 n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qe1 s SER 134 N -1.65 3.07 0.19 3.54 1.04 -1.26 -4.88 113.70 113.75 1qe1 s SER 134 Ca 0.78 -0.57 -0.32 0.00 0.48 0.00 0.00 55.95 56.32 1qe1 s SER 134 Cb -0.35 -1.41 -0.15 0.00 0.10 0.00 0.00 66.02 64.22 1qe1 s SER 134 CO 0.46 0.13 1.27 -0.38 0.98 0.00 0.00 173.24 175.70 1qe1 n ILE 135 N 3.70 0.86 -1.73 -1.02 5.41 -1.26 -1.44 119.36 123.87 1qe1 n ILE 135 Ca -0.19 -0.21 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 1qe1 n ILE 135 Cb 0.52 -1.09 -0.04 0.00 -0.71 0.00 0.00 39.64 38.32 1qe1 n ILE 135 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1qe1 n ASN 136 N 2.12 -3.92 -4.04 4.38 5.15 -1.26 -2.55 115.26 115.14 1qe1 n ASN 136 Ca 0.14 0.29 -0.28 0.00 -0.60 0.00 0.00 54.58 54.12 1qe1 n ASN 136 Cb 0.27 -3.52 -0.03 0.00 -0.53 0.00 0.00 39.78 35.97 1qe1 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1qe1 n ASN 137 N -1.00 -0.90 -0.04 1.20 3.02 -0.52 -4.87 115.26 112.14 1qe1 n ASN 137 Ca -0.15 -1.03 -0.14 0.00 -0.03 0.00 0.00 54.58 53.23 1qe1 n ASN 137 Cb 0.52 -2.88 -0.12 0.00 -0.61 0.00 0.00 39.78 36.68 1qe1 n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1qe1 h GLU 138 N -1.77 0.07 -5.23 3.52 4.81 -1.68 -3.45 114.58 110.84 1qe1 h GLU 138 Ca -0.62 -0.07 -0.66 0.00 -0.13 0.00 0.00 59.36 57.88 1qe1 h GLU 138 Cb 1.38 0.02 -0.27 0.00 0.63 0.00 0.00 28.75 30.51 1qe1 h GLU 138 CO 0.66 0.86 -0.75 0.99 -0.73 0.00 0.00 179.01 180.05 1qe1 s THR 139 N -2.98 3.14 0.00 0.32 2.01 -1.26 -5.03 115.64 111.84 1qe1 s THR 139 Ca -0.17 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1qe1 s THR 139 Cb -0.01 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1qe1 s THR 139 CO 0.71 0.50 0.00 -2.65 -0.69 0.00 0.00 174.62 172.49 1qe1 n PRO 140 N 3.87 0.00 -0.94 4.92 -0.02 -1.26 -4.52 135.00 137.05 1qe1 n PRO 140 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1qe1 n PRO 140 Cb 0.52 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1qe1 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qe1 n GLY 141 N 0.91 -3.60 3.37 -1.23 0.00 -1.26 -4.84 105.19 98.55 1qe1 n GLY 141 Ca 0.00 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1qe1 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qe1 s ILE 142 N -4.68 4.91 -0.20 -0.61 -1.09 -1.07 -4.86 121.20 113.60 1qe1 s ILE 142 Ca 0.00 -1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 57.24 1qe1 s ILE 142 Cb 0.00 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1qe1 s ILE 142 CO 0.00 -0.46 0.32 -0.13 -1.23 0.00 0.00 174.94 173.43 1qe1 s ARG 143 N 1.59 4.18 -0.04 2.79 0.52 -1.26 -1.32 118.95 125.41 1qe1 s ARG 143 Ca 0.04 0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 1qe1 s ARG 143 Cb -0.22 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 31.76 1qe1 s ARG 143 CO 0.06 0.07 -0.05 0.71 0.02 0.00 0.00 175.30 176.11 1qe1 s TYR 144 N 0.99 0.69 -0.12 -0.53 4.12 -0.77 -1.49 117.35 120.25 1qe1 s TYR 144 Ca 0.16 -0.17 0.02 0.00 0.02 0.00 0.00 57.07 57.10 1qe1 s TYR 144 Cb -0.14 -0.59 -0.00 0.00 -1.52 0.00 0.00 41.96 39.71 1qe1 s TYR 144 CO 0.06 -0.15 -0.20 1.14 0.02 0.00 0.00 175.55 176.42 1qe1 s GLN 145 N 0.71 3.13 0.84 -0.62 -2.07 -0.56 -1.22 119.66 119.87 1qe1 s GLN 145 Ca -0.09 -0.82 -0.14 0.00 -1.82 0.00 0.00 55.36 52.48 1qe1 s GLN 145 Cb -0.12 -2.44 0.00 0.00 -1.09 0.00 0.00 33.01 29.36 1qe1 s GLN 145 CO 0.00 0.11 0.53 0.66 -1.32 0.00 0.00 175.29 175.27 1qe1 n TYR 146 N 3.74 -0.93 0.00 9.60 4.02 -1.26 -2.01 117.16 130.32 1qe1 n TYR 146 Ca -0.19 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1qe1 n TYR 146 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 39.34 37.97 1qe1 n TYR 146 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1qe1 n ASN 147 N -0.99 3.08 -4.43 7.72 3.02 0.76 -4.77 115.26 119.63 1qe1 n ASN 147 Ca 0.09 -0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.31 1qe1 n ASN 147 Cb 0.52 0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 40.41 1qe1 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1qe1 s VAL 148 N -1.44 2.12 0.14 2.41 -7.23 -1.22 -0.09 120.40 115.08 1qe1 s VAL 148 Ca 0.00 -2.29 -0.33 0.00 -1.81 0.00 0.00 61.98 57.55 1qe1 s VAL 148 Cb 0.00 -2.27 -0.17 0.00 0.56 0.00 0.00 36.38 34.50 1qe1 s VAL 148 CO 0.00 -0.43 0.96 0.18 -0.31 0.00 0.00 175.10 175.49 1qe1 n LEU 149 N -0.56 0.37 -4.88 1.32 4.77 -1.22 -4.67 117.00 112.12 1qe1 n LEU 149 Ca -0.06 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.73 1qe1 n LEU 149 Cb 0.61 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1qe1 n LEU 149 CO 0.38 -1.93 0.02 -2.84 -1.33 0.00 0.00 177.39 171.69 1qe1 s PRO 150 N -0.50 3.67 0.34 3.23 0.02 -1.26 -4.57 135.00 135.93 1qe1 s PRO 150 Ca 0.75 0.02 0.05 0.00 0.02 0.00 0.00 61.00 61.84 1qe1 s PRO 150 Cb -0.98 -2.97 0.68 0.00 0.02 0.00 0.00 34.50 31.25 1qe1 s PRO 150 CO 0.55 0.55 1.92 1.96 -0.33 0.00 0.00 177.00 181.65 1qe1 h GLN 151 N 3.50 0.81 0.15 5.54 4.20 -1.91 -3.23 115.11 124.17 1qe1 h GLN 151 Ca -0.48 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 1qe1 h GLN 151 Cb 1.18 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1qe1 h GLN 151 CO 0.68 0.54 -0.07 0.78 -0.67 0.00 0.00 178.83 180.09 1qe1 h GLY 152 N 0.84 -0.22 -0.48 3.46 0.00 -1.92 -3.42 103.07 101.34 1qe1 h GLY 152 Ca 0.37 0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.68 1qe1 h GLY 152 CO -0.14 -0.08 -0.57 1.87 0.00 0.00 0.00 176.54 177.62 1qe1 n TRP 153 N -4.95 -0.35 0.05 5.60 -0.00 -1.22 -4.90 117.44 111.67 1qe1 n TRP 153 Ca -0.08 0.18 0.01 0.00 -0.00 0.00 0.00 57.50 57.61 1qe1 n TRP 153 Cb 0.26 -0.37 -0.02 0.00 -0.00 0.00 0.00 31.31 31.18 1qe1 n TRP 153 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1qe1 n LYS 154 N 0.65 2.74 0.06 5.87 2.85 -1.26 -4.53 118.16 124.54 1qe1 n LYS 154 Ca -0.00 -0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.21 1qe1 n LYS 154 Cb 0.16 -0.87 0.20 0.00 -0.65 0.00 0.00 35.03 33.88 1qe1 n LYS 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1qe1 h GLY 155 N 0.51 0.38 0.00 2.58 0.00 -1.94 -3.15 103.07 101.45 1qe1 h GLY 155 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1qe1 h GLY 155 CO 0.00 0.32 0.00 1.44 0.00 0.00 0.00 176.54 178.30 1qe1 n SER 156 N -4.06 0.00 0.17 0.19 7.64 -1.26 -0.42 113.62 115.88 1qe1 n SER 156 Ca -0.01 0.45 0.19 0.00 1.01 0.00 0.00 58.87 60.50 1qe1 n SER 156 Cb 0.46 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 64.43 1qe1 n SER 156 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1qe1 h PRO 157 N 0.00 0.00 -0.11 1.43 0.13 -1.85 0.39 132.00 131.99 1qe1 h PRO 157 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qe1 h PRO 157 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1qe1 h PRO 157 CO 0.00 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 177.82 1qe1 h ALA 158 N 1.49 0.15 0.42 -0.56 0.00 -1.41 -2.87 119.26 116.47 1qe1 h ALA 158 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1qe1 h ALA 158 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qe1 h ALA 158 CO -0.00 -0.29 -0.20 0.82 0.00 0.00 0.00 179.25 179.58 1qe1 h ILE 159 N 0.05 0.00 0.00 0.00 2.04 0.25 -3.26 117.51 116.59 1qe1 h ILE 159 Ca 0.04 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1qe1 h ILE 159 Cb 0.13 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1qe1 h ILE 159 CO -0.00 0.00 0.00 0.33 0.00 0.00 0.00 178.15 178.48 1qe1 n PHE 160 N -4.26 0.00 0.08 1.37 7.35 -0.48 -3.73 117.46 117.79 1qe1 n PHE 160 Ca -0.07 -0.43 -0.22 0.00 -0.76 0.00 0.00 57.45 55.97 1qe1 n PHE 160 Cb 0.22 -0.32 -0.15 0.00 0.35 0.00 0.00 39.48 39.58 1qe1 n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1qe1 h GLN 161 N 2.10 0.38 0.78 -4.13 4.15 -1.55 -3.06 115.11 113.78 1qe1 h GLN 161 Ca 0.00 -0.66 -0.04 0.00 0.77 0.00 0.00 58.65 58.73 1qe1 h GLN 161 Cb 0.50 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1qe1 h GLN 161 CO 0.00 1.29 -0.41 0.77 -1.93 0.00 0.00 178.83 178.55 1qe1 h SER 162 N 0.10 -0.99 -0.29 -0.69 0.02 -1.85 -0.68 113.55 109.17 1qe1 h SER 162 Ca -0.31 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 1qe1 h SER 162 Cb 2.09 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 64.82 1qe1 h SER 162 CO 0.19 -0.67 -0.28 0.28 -1.14 0.00 0.00 176.83 175.21 1qe1 h SER 163 N -1.09 -0.90 -0.54 3.07 0.02 -1.84 -1.25 113.55 111.01 1qe1 h SER 163 Ca -0.10 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1qe1 h SER 163 Cb 0.85 0.42 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1qe1 h SER 163 CO 0.15 -0.30 0.30 -0.03 -1.14 0.00 0.00 176.83 175.80 1qe1 h MET 164 N -0.26 0.56 -0.55 3.45 -1.53 -1.49 -0.43 114.93 114.68 1qe1 h MET 164 Ca 0.15 -0.03 0.08 0.00 -3.44 0.00 0.00 59.70 56.46 1qe1 h MET 164 Cb 0.50 -0.13 -0.07 0.00 -0.55 0.00 0.00 31.60 31.36 1qe1 h MET 164 CO -0.44 0.37 0.17 1.79 0.14 0.00 0.00 176.91 178.94 1qe1 h THR 165 N 0.57 0.77 0.67 -0.77 1.35 -0.28 0.18 112.91 115.41 1qe1 h THR 165 Ca 0.23 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.95 1qe1 h THR 165 Cb 0.11 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 1qe1 h THR 165 CO -0.14 0.06 -0.47 0.11 -0.25 0.00 0.00 175.52 174.83 1qe1 h LYS 166 N 0.34 -1.05 -1.11 4.72 1.57 -0.73 0.16 116.57 120.47 1qe1 h LYS 166 Ca 0.27 0.07 0.31 0.00 -1.87 0.00 0.00 60.65 59.43 1qe1 h LYS 166 Cb 0.33 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1qe1 h LYS 166 CO -0.30 -0.70 0.77 0.82 -0.57 0.00 0.00 179.45 179.47 1qe1 h ILE 167 N -1.09 0.46 0.00 1.86 2.04 -0.25 -2.13 117.51 118.40 1qe1 h ILE 167 Ca -0.09 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1qe1 h ILE 167 Cb 0.90 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1qe1 h ILE 167 CO 0.05 0.02 -1.61 0.18 0.00 0.00 0.00 178.15 176.79 1qe1 n LEU 168 N -4.35 0.53 -0.31 1.44 4.77 -0.03 -4.50 117.00 114.56 1qe1 n LEU 168 Ca 0.25 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1qe1 n LEU 168 Cb 1.10 0.09 0.10 0.00 -2.33 0.00 0.00 43.42 42.38 1qe1 n LEU 168 CO 0.35 0.10 0.55 1.21 -1.33 0.00 0.00 177.39 178.26 1qe1 n GLU 169 N -2.68 -0.10 0.49 3.23 2.13 0.50 -1.41 120.64 122.81 1qe1 n GLU 169 Ca -0.10 1.31 -0.20 0.00 0.66 0.00 0.00 57.16 58.83 1qe1 n GLU 169 Cb 0.77 -1.96 -0.10 0.00 0.27 0.00 0.00 31.44 30.42 1qe1 n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1qe1 h PRO 170 N 0.00 -1.19 -1.08 5.31 0.11 -1.79 -0.68 132.00 132.68 1qe1 h PRO 170 Ca 0.39 0.08 0.31 0.00 0.11 0.00 0.00 66.00 66.89 1qe1 h PRO 170 Cb 0.60 0.27 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 1qe1 h PRO 170 CO -0.86 -0.79 0.77 0.35 -0.21 0.00 0.00 178.00 177.25 1qe1 h PHE 171 N -1.25 0.07 -0.16 0.65 3.57 -1.51 1.19 116.94 119.51 1qe1 h PHE 171 Ca -0.13 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.16 1qe1 h PHE 171 Cb 0.95 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.68 1qe1 h PHE 171 CO -0.01 0.01 -0.76 0.87 -2.23 0.00 0.00 178.31 176.19 1qe1 h LYS 172 N 0.04 0.78 0.35 1.11 1.57 -0.80 -0.66 116.57 118.95 1qe1 h LYS 172 Ca 0.52 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1qe1 h LYS 172 Cb 2.01 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.45 1qe1 h LYS 172 CO -0.04 1.24 -0.17 0.87 -0.57 0.00 0.00 179.45 180.78 1qe1 h LYS 173 N 0.53 -0.45 -0.38 3.15 1.79 0.30 -2.99 116.57 118.52 1qe1 h LYS 173 Ca -0.05 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 1qe1 h LYS 173 Cb 1.39 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 32.05 1qe1 h LYS 173 CO 0.16 -0.30 -0.37 1.96 -1.08 0.00 0.00 179.45 179.82 1qe1 h GLN 174 N -0.53 -0.29 -4.33 3.15 4.20 -1.32 -3.30 115.11 112.69 1qe1 h GLN 174 Ca -0.05 0.02 -0.72 0.00 0.06 0.00 0.00 58.65 57.97 1qe1 h GLN 174 Cb 0.36 0.06 -0.31 0.00 0.30 0.00 0.00 27.48 27.89 1qe1 h GLN 174 CO 0.08 -0.19 -0.43 -0.80 -0.67 0.00 0.00 178.83 176.81 1qe1 s ASN 175 N -5.05 5.56 0.06 1.46 0.01 -0.25 -4.91 114.94 111.81 1qe1 s ASN 175 Ca -0.15 -2.00 0.13 0.00 -0.71 0.00 0.00 52.86 50.13 1qe1 s ASN 175 Cb 0.13 -1.95 -0.16 0.00 0.41 0.00 0.00 41.25 39.67 1qe1 s ASN 175 CO 0.67 -0.63 0.95 1.55 -1.51 0.00 0.00 177.10 178.12 1qe1 h PRO 176 N 8.26 0.00 -0.00 -0.60 0.13 -1.61 -3.34 132.00 134.84 1qe1 h PRO 176 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1qe1 h PRO 176 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1qe1 h PRO 176 CO 0.80 0.55 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.84 1qe1 n ASP 177 N -3.09 0.25 -4.67 1.44 9.92 -1.26 -4.75 116.55 114.38 1qe1 n ASP 177 Ca -0.09 -0.65 -0.38 0.00 -0.53 0.00 0.00 54.79 53.14 1qe1 n ASP 177 Cb 0.93 -0.11 -0.08 0.00 -0.64 0.00 0.00 41.12 41.22 1qe1 n ASP 177 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1qe1 s ILE 178 N -2.31 5.22 -0.24 0.53 1.01 -1.25 -4.70 121.20 119.45 1qe1 s ILE 178 Ca 0.36 0.66 -0.11 0.00 0.00 0.00 0.00 60.65 61.55 1qe1 s ILE 178 Cb 0.21 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1qe1 s ILE 178 CO 0.43 0.27 0.20 -0.69 0.00 0.00 0.00 174.94 175.15 1qe1 s VAL 179 N 1.22 5.33 -0.03 2.92 1.01 0.02 -4.97 120.40 125.89 1qe1 s VAL 179 Ca 0.18 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1qe1 s VAL 179 Cb -0.14 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1qe1 s VAL 179 CO 0.07 0.32 -0.25 -0.63 0.00 0.00 0.00 175.10 174.61 1qe1 s ILE 180 N 1.20 2.02 0.01 2.22 1.01 -1.26 0.17 121.20 126.57 1qe1 s ILE 180 Ca 0.09 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1qe1 s ILE 180 Cb -0.14 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1qe1 s ILE 180 CO 0.06 0.57 -0.05 -0.47 0.00 0.00 0.00 174.94 175.04 1qe1 s TYR 181 N -0.45 0.48 -0.20 3.97 5.04 0.94 -4.97 117.35 122.17 1qe1 s TYR 181 Ca 0.05 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 1qe1 s TYR 181 Cb -0.11 -0.30 0.03 0.00 0.35 0.00 0.00 41.96 41.93 1qe1 s TYR 181 CO 0.01 -0.04 -0.18 -1.14 -1.34 0.00 0.00 175.55 172.86 1qe1 s GLN 182 N -0.60 2.77 -0.35 4.97 0.74 -1.26 0.20 119.66 126.14 1qe1 s GLN 182 Ca -0.02 -0.93 0.02 0.00 0.05 0.00 0.00 55.36 54.48 1qe1 s GLN 182 Cb -0.05 -2.61 0.10 0.00 1.10 0.00 0.00 33.01 31.55 1qe1 s GLN 182 CO -0.00 -0.29 0.08 -0.47 -0.55 0.00 0.00 175.29 174.05 1qe1 s TYR 183 N 1.26 3.68 0.00 1.67 5.04 -0.47 -4.40 117.35 124.13 1qe1 s TYR 183 Ca 0.02 -2.78 0.00 0.00 -2.44 0.00 0.00 57.07 51.87 1qe1 s TYR 183 Cb -0.15 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1qe1 s TYR 183 CO -0.11 -0.95 0.00 -0.89 -1.34 0.00 0.00 175.55 172.26 1qe1 n ILE 184 N 4.36 0.00 0.11 3.14 2.08 -1.26 -1.55 119.36 126.24 1qe1 n ILE 184 Ca 0.01 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.25 1qe1 n ILE 184 Cb 0.42 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.35 1qe1 n ILE 184 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1qe1 n ASP 185 N 7.25 3.96 -3.87 4.38 9.92 -1.26 -4.81 116.55 132.13 1qe1 n ASP 185 Ca 0.00 -2.51 -0.12 0.00 -0.53 0.00 0.00 54.79 51.63 1qe1 n ASP 185 Cb 0.00 -0.73 -0.14 0.00 -0.64 0.00 0.00 41.12 39.61 1qe1 n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1qe1 s ASP 186 N 0.58 -0.01 -0.22 -2.24 -0.00 -0.60 -2.79 116.67 111.39 1qe1 s ASP 186 Ca 0.15 0.03 -0.03 0.00 -0.00 0.00 0.00 52.55 52.70 1qe1 s ASP 186 Cb 0.13 0.02 -0.00 0.00 -0.00 0.00 0.00 42.92 43.07 1qe1 s ASP 186 CO 0.02 -0.01 -0.06 -0.22 -0.00 0.00 0.00 175.17 174.91 1qe1 s LEU 187 N 0.01 2.88 -0.45 1.23 2.96 0.29 -1.37 118.68 124.23 1qe1 s LEU 187 Ca -0.00 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 53.21 1qe1 s LEU 187 Cb -0.00 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 45.01 1qe1 s LEU 187 CO -0.00 -0.04 0.63 -0.31 -1.32 0.00 0.00 176.35 175.31 1qe1 s TYR 188 N 1.44 3.06 -0.24 5.38 1.51 0.52 -0.86 117.35 128.16 1qe1 s TYR 188 Ca 0.05 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1qe1 s TYR 188 Cb -0.14 -3.36 0.03 0.00 -0.11 0.00 0.00 41.96 38.37 1qe1 s TYR 188 CO -0.04 -0.90 -0.10 0.08 -1.11 0.00 0.00 175.55 173.48 1qe1 s VAL 189 N 2.77 2.59 -0.03 0.71 1.01 0.11 -0.04 120.40 127.52 1qe1 s VAL 189 Ca 0.21 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1qe1 s VAL 189 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1qe1 s VAL 189 CO 0.17 0.21 -0.08 -0.83 0.00 0.00 0.00 175.10 174.57 1qe1 s GLY 190 N 1.27 0.52 0.13 4.51 0.00 0.13 0.94 107.32 114.81 1qe1 s GLY 190 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.43 1qe1 s GLY 190 CO -0.06 -0.02 -0.04 -1.35 0.00 0.00 0.00 173.10 171.63 1qe1 s SER 191 N 0.28 1.17 -0.67 1.64 1.04 -1.13 -0.80 113.70 115.22 1qe1 s SER 191 Ca -0.04 -1.08 -0.02 0.00 0.48 0.00 0.00 55.95 55.29 1qe1 s SER 191 Cb -0.09 0.11 0.36 0.00 0.10 0.00 0.00 66.02 66.49 1qe1 s SER 191 CO 0.01 -0.51 2.10 0.47 0.98 0.00 0.00 173.24 176.28 1qe1 n ASP 192 N -0.13 7.42 -4.91 7.02 8.00 -1.26 -2.51 116.55 130.18 1qe1 n ASP 192 Ca -0.10 -3.68 -0.25 0.00 0.71 0.00 0.00 54.79 51.48 1qe1 n ASP 192 Cb 0.62 -1.04 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1qe1 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qe1 s LEU 193 N -3.56 2.85 0.73 0.64 1.43 -1.26 -4.90 118.68 114.61 1qe1 s LEU 193 Ca 0.57 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1qe1 s LEU 193 Cb 0.45 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 45.34 1qe1 s LEU 193 CO -0.16 -1.06 1.08 -1.61 0.23 0.00 0.00 176.35 174.84 1qe1 s GLU 194 N -4.29 2.57 0.13 1.70 2.02 -1.26 -4.78 118.70 114.78 1qe1 s GLU 194 Ca 0.39 1.14 -0.16 0.00 0.02 0.00 0.00 54.97 56.36 1qe1 s GLU 194 Cb -0.03 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 1qe1 s GLU 194 CO 0.24 -1.40 1.67 0.97 0.02 0.00 0.00 175.26 176.76 1qe1 h ILE 195 N -0.77 1.19 -0.25 -1.63 2.10 -1.98 1.17 117.51 117.35 1qe1 h ILE 195 Ca -0.44 -0.60 -0.01 0.00 1.08 0.00 0.00 64.86 64.88 1qe1 h ILE 195 Cb 1.23 0.90 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 1qe1 h ILE 195 CO 0.53 0.21 0.10 1.23 -1.08 0.00 0.00 178.15 179.15 1qe1 h GLY 196 N 0.45 0.39 0.33 8.18 0.00 -1.98 0.15 103.07 110.59 1qe1 h GLY 196 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1qe1 h GLY 196 CO -0.01 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.34 1qe1 n GLN 197 N -4.80 0.88 -0.12 4.80 0.00 -0.90 -2.83 117.38 114.42 1qe1 n GLN 197 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 57.00 56.73 1qe1 n GLN 197 Cb 0.12 -1.17 -0.09 0.00 0.00 0.00 0.00 30.24 29.10 1qe1 n GLN 197 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1qe1 n HIS 198 N -0.67 0.00 0.14 2.61 -0.00 0.40 -4.31 115.22 113.39 1qe1 n HIS 198 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.80 1qe1 n HIS 198 Cb 0.03 -0.89 0.07 0.00 -0.00 0.00 0.00 29.99 29.20 1qe1 n HIS 198 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1qe1 n ARG 199 N -3.90 0.06 -0.07 1.57 1.74 0.46 -1.75 116.66 114.78 1qe1 n ARG 199 Ca -0.47 0.13 -0.06 0.00 -0.77 0.00 0.00 57.85 56.68 1qe1 n ARG 199 Cb 0.87 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 1qe1 n ARG 199 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1qe1 n THR 200 N -1.15 1.33 0.19 0.55 -1.04 -1.21 -3.54 114.28 109.42 1qe1 n THR 200 Ca 0.02 0.21 0.13 0.00 -2.04 0.00 0.00 64.05 62.37 1qe1 n THR 200 Cb 0.01 -2.31 0.45 0.00 -1.82 0.00 0.00 70.33 66.67 1qe1 n THR 200 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1qe1 h LYS 201 N -0.92 0.00 0.04 -2.82 1.79 -1.53 0.41 116.57 113.54 1qe1 h LYS 201 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qe1 h LYS 201 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1qe1 h LYS 201 CO 0.00 0.00 -0.02 0.82 -1.08 0.00 0.00 179.45 179.17 1qe1 h ILE 202 N 0.00 0.00 -1.15 1.86 1.08 -1.66 -2.84 117.51 114.81 1qe1 h ILE 202 Ca 0.12 -0.43 0.33 0.00 -0.39 0.00 0.00 64.86 64.49 1qe1 h ILE 202 Cb 1.62 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 1qe1 h ILE 202 CO -0.00 0.00 0.81 -0.08 -0.69 0.00 0.00 178.15 178.19 1qe1 h GLU 203 N -0.48 0.06 0.27 2.37 4.57 -0.31 1.58 114.58 122.63 1qe1 h GLU 203 Ca -0.01 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1qe1 h GLU 203 Cb 0.04 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1qe1 h GLU 203 CO 0.01 0.04 -0.13 0.93 -1.18 0.00 0.00 179.01 178.68 1qe1 h GLU 204 N 0.06 -0.34 -0.08 1.92 5.08 -1.23 0.17 114.58 120.16 1qe1 h GLU 204 Ca 0.57 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.97 1qe1 h GLU 204 Cb 2.12 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.44 1qe1 h GLU 204 CO -0.06 -0.03 0.08 1.25 -1.00 0.00 0.00 179.01 179.25 1qe1 h LEU 205 N -0.69 0.00 0.64 1.33 5.85 0.22 -0.27 115.31 122.40 1qe1 h LEU 205 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1qe1 h LEU 205 Cb 0.47 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.51 1qe1 h LEU 205 CO 0.06 0.00 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.76 1qe1 h ARG 206 N 0.00 -0.83 -0.50 1.25 2.43 0.69 -1.20 114.38 116.23 1qe1 h ARG 206 Ca 0.04 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1qe1 h ARG 206 Cb 0.19 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1qe1 h ARG 206 CO -0.00 -0.55 0.13 1.96 -1.51 0.00 0.00 179.97 180.00 1qe1 h GLN 207 N -1.09 0.27 0.55 0.20 1.08 -0.41 0.65 115.11 116.37 1qe1 h GLN 207 Ca -0.09 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1qe1 h GLN 207 Cb 0.66 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1qe1 h GLN 207 CO 0.14 0.18 -0.31 1.25 -0.95 0.00 0.00 178.83 179.14 1qe1 h HIS 208 N 0.28 -0.82 -0.81 2.96 2.76 -1.13 0.47 115.15 118.85 1qe1 h HIS 208 Ca 0.25 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.52 1qe1 h HIS 208 Cb 0.31 0.29 -0.08 0.00 1.55 0.00 0.00 27.41 29.47 1qe1 h HIS 208 CO -0.20 -0.49 0.44 -0.07 -1.30 0.00 0.00 177.93 176.31 1qe1 h LEU 209 N -0.81 0.58 -1.39 0.26 3.38 -0.45 0.37 115.31 117.24 1qe1 h LEU 209 Ca -0.07 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1qe1 h LEU 209 Cb 0.65 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1qe1 h LEU 209 CO 0.09 0.30 0.48 0.25 0.09 0.00 0.00 178.44 179.64 1qe1 h LEU 210 N 0.69 0.64 0.31 1.67 5.85 0.13 -0.13 115.31 124.47 1qe1 h LEU 210 Ca 0.41 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 1qe1 h LEU 210 Cb 0.47 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1qe1 h LEU 210 CO -0.30 0.40 -0.15 0.03 -0.34 0.00 0.00 178.44 178.09 1qe1 h ARG 211 N 0.72 -0.40 -0.31 1.25 3.08 0.39 -2.77 114.38 116.33 1qe1 h ARG 211 Ca 0.32 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1qe1 h ARG 211 Cb 0.33 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1qe1 h ARG 211 CO -0.11 -0.07 0.00 1.87 -1.07 0.00 0.00 179.97 180.59 1qe1 n TRP 212 N -5.09 0.00 -0.87 3.04 -0.00 -0.19 -4.76 117.44 109.57 1qe1 n TRP 212 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1qe1 n TRP 212 Cb 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.55 1qe1 n TRP 212 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1qe1 n GLY 213 N 0.29 0.62 3.16 5.87 0.00 -1.02 -5.05 105.19 109.05 1qe1 n GLY 213 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1qe1 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qe1 s LEU 214 N 0.00 2.60 -1.09 0.99 1.43 -0.11 -4.93 118.68 117.57 1qe1 s LEU 214 Ca 0.00 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 1qe1 s LEU 214 Cb 0.00 -1.56 0.16 0.00 0.03 0.00 0.00 46.19 44.83 1qe1 s LEU 214 CO 0.00 -0.05 1.28 -0.89 0.23 0.00 0.00 176.35 176.92 1qe1 s THR 215 N 1.30 5.00 0.27 5.49 2.01 -1.26 -2.66 115.64 125.79 1qe1 s THR 215 Ca 0.02 -2.29 -0.20 0.00 0.31 0.00 0.00 61.69 59.54 1qe1 s THR 215 Cb -0.15 -4.83 -0.09 0.00 0.01 0.00 0.00 72.50 67.44 1qe1 s THR 215 CO -0.09 -1.53 0.77 -0.89 -0.69 0.00 0.00 174.62 172.19 1qe1 s THR 216 N 1.77 4.53 0.00 -0.82 2.01 -1.26 -4.89 115.64 116.99 1qe1 s THR 216 Ca 0.37 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.67 1qe1 s THR 216 Cb -0.04 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1qe1 s THR 216 CO -0.04 0.07 0.00 -0.81 -0.69 0.00 0.00 174.62 173.15 1qe1 n PRO 217 N 0.35 0.16 -0.17 4.92 -0.04 -1.26 -5.05 135.00 133.90 1qe1 n PRO 217 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1qe1 n PRO 217 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 1qe1 n PRO 217 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1qe1 h ASP 218 N 0.00 0.67 -4.36 3.54 3.04 -1.98 -3.47 116.42 113.86 1qe1 h ASP 218 Ca 0.00 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1qe1 h ASP 218 Cb 0.00 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.12 1qe1 h ASP 218 CO 0.00 0.64 0.00 0.61 -2.04 0.00 0.00 179.24 178.45 1qe1 n GLY 231 N -0.84 4.18 2.80 7.15 0.00 -1.26 -4.97 105.19 112.26 1qe1 n GLY 231 Ca 0.02 -1.46 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 1qe1 n GLY 231 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qe1 s TYR 232 N -2.07 0.34 0.09 1.61 6.04 -0.97 -4.96 117.35 117.43 1qe1 s TYR 232 Ca 0.00 -0.00 0.03 0.00 0.04 0.00 0.00 57.07 57.14 1qe1 s TYR 232 Cb 0.00 -0.46 -0.04 0.00 -1.04 0.00 0.00 41.96 40.42 1qe1 s TYR 232 CO 0.00 -0.16 0.08 -1.21 -1.54 0.00 0.00 175.55 172.72 1qe1 s GLU 233 N 1.21 2.85 0.02 4.97 2.02 -1.26 0.11 118.70 128.61 1qe1 s GLU 233 Ca -0.07 -0.73 -0.17 0.00 0.02 0.00 0.00 54.97 54.02 1qe1 s GLU 233 Cb -0.13 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.43 1qe1 s GLU 233 CO -0.02 0.55 0.36 -0.51 0.02 0.00 0.00 175.26 175.67 1qe1 s LEU 234 N -2.47 0.62 -0.47 1.80 1.43 -0.06 -5.00 118.68 114.54 1qe1 s LEU 234 Ca 0.29 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1qe1 s LEU 234 Cb -0.12 1.52 0.15 0.00 0.03 0.00 0.00 46.19 47.77 1qe1 s LEU 234 CO 0.22 -0.57 0.30 -1.00 0.23 0.00 0.00 176.35 175.53 1qe1 s HIS 235 N -2.02 1.88 -0.07 0.29 3.76 -1.26 0.73 115.29 118.60 1qe1 s HIS 235 Ca -0.08 -2.46 0.00 0.00 -0.15 0.00 0.00 55.06 52.37 1qe1 s HIS 235 Cb -0.02 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1qe1 s HIS 235 CO 0.00 -0.76 0.39 -0.35 -0.85 0.00 0.00 174.74 173.18 1qe1 n PRO 236 N 3.17 0.41 -0.11 8.40 -0.04 -1.26 -2.19 135.00 143.38 1qe1 n PRO 236 Ca 0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1qe1 n PRO 236 Cb 0.38 -1.29 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 1qe1 n PRO 236 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1qe1 n ASP 237 N 0.76 1.71 -0.52 3.54 4.64 -1.26 -4.36 116.55 121.07 1qe1 n ASP 237 Ca 0.00 -0.09 0.11 0.00 -1.38 0.00 0.00 54.79 53.43 1qe1 n ASP 237 Cb 0.20 0.01 0.40 0.00 -1.04 0.00 0.00 41.12 40.69 1qe1 n ASP 237 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1qe1 n LYS 238 N -3.03 1.68 -2.05 -0.67 4.76 -0.93 -4.91 118.16 113.01 1qe1 n LYS 238 Ca -0.38 -1.02 -0.42 0.00 -2.87 0.00 0.00 58.31 53.62 1qe1 n LYS 238 Cb 0.98 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.75 1qe1 n LYS 238 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1qe1 s TRP 239 N -1.82 2.95 0.34 2.13 0.51 -1.26 -5.01 118.94 116.79 1qe1 s TRP 239 Ca 0.32 0.69 0.03 0.00 -2.12 0.00 0.00 56.10 55.03 1qe1 s TRP 239 Cb 0.17 -3.82 -0.05 0.00 -0.81 0.00 0.00 33.47 28.97 1qe1 s TRP 239 CO 0.26 -3.05 0.10 0.95 -0.51 0.00 0.00 176.95 174.70 1qe1 s THR 240 N 1.64 0.80 0.14 2.01 -4.23 -1.26 -5.10 115.64 109.64 1qe1 s THR 240 Ca 0.68 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1qe1 s THR 240 Cb -0.39 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1qe1 s THR 240 CO 0.30 0.00 0.23 0.68 -0.54 0.00 0.00 174.62 175.29 1qe1 s VAL 241 N -3.38 5.05 -0.28 2.29 -7.23 -1.26 -4.82 120.40 110.77 1qe1 s VAL 241 Ca 0.32 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1qe1 s VAL 241 Cb 0.06 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 33.49 1qe1 s VAL 241 CO 0.15 -0.07 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.22 1qe1 s GLN 242 N -3.12 2.14 0.61 4.82 2.00 -0.43 -4.97 119.66 120.72 1qe1 s GLN 242 Ca 0.33 -1.43 -0.06 0.00 -2.00 0.00 0.00 55.36 52.21 1qe1 s GLN 242 Cb -0.11 -2.98 0.02 0.00 0.80 0.00 0.00 33.01 30.74 1qe1 s GLN 242 CO 0.27 -0.64 0.92 -1.25 -0.50 0.00 0.00 175.29 174.09 1qe1 s PRO 243 N 1.09 2.75 -0.20 1.67 0.04 -1.26 -4.53 135.00 134.56 1qe1 s PRO 243 Ca -0.05 -0.09 -0.29 0.00 0.04 0.00 0.00 61.00 60.61 1qe1 s PRO 243 Cb -0.20 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1qe1 s PRO 243 CO -0.05 -0.82 1.02 0.42 0.04 0.00 0.00 177.00 177.62 1qe1 s ILE 244 N -3.04 4.71 0.05 0.56 1.01 -1.26 -4.94 121.20 118.29 1qe1 s ILE 244 Ca 0.55 2.01 0.08 0.00 0.00 0.00 0.00 60.65 63.30 1qe1 s ILE 244 Cb -0.11 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1qe1 s ILE 244 CO 0.45 -0.13 -0.21 0.68 0.00 0.00 0.00 174.94 175.72 1qe1 s VAL 245 N 2.90 2.53 -0.04 2.92 -7.23 -1.26 -4.80 120.40 115.42 1qe1 s VAL 245 Ca 0.45 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 1qe1 s VAL 245 Cb -0.16 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1qe1 s VAL 245 CO 0.09 0.33 0.23 -0.76 -0.31 0.00 0.00 175.10 174.67 1qe1 s LEU 246 N -1.42 4.39 1.42 1.32 1.43 -1.26 -5.07 118.68 119.49 1qe1 s LEU 246 Ca 0.14 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 53.55 1qe1 s LEU 246 Cb -0.10 -2.42 0.36 0.00 0.03 0.00 0.00 46.19 44.06 1qe1 s LEU 246 CO 0.04 0.32 0.95 -2.16 0.23 0.00 0.00 176.35 175.74 1qe1 s PRO 247 N -1.41 -2.94 -0.20 1.29 0.04 -1.26 -5.04 135.00 125.48 1qe1 s PRO 247 Ca 0.22 0.02 0.13 0.00 0.04 0.00 0.00 61.00 61.41 1qe1 s PRO 247 Cb -0.13 -1.39 -0.23 0.00 0.04 0.00 0.00 34.50 32.79 1qe1 s PRO 247 CO 0.11 -4.85 0.04 0.39 0.04 0.00 0.00 177.00 172.72 1qe1 n GLU 248 N -5.60 0.68 -1.65 4.56 4.71 -1.26 -4.55 120.64 117.53 1qe1 n GLU 248 Ca 0.14 0.05 -0.40 0.00 -0.01 0.00 0.00 57.16 56.94 1qe1 n GLU 248 Cb 0.61 -1.54 -0.01 0.00 -1.01 0.00 0.00 31.44 29.48 1qe1 n GLU 248 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1qe1 n LYS 249 N -2.90 3.62 -2.78 3.49 5.02 -1.26 -4.94 118.16 118.40 1qe1 n LYS 249 Ca -0.35 -2.66 -0.40 0.00 -2.02 0.00 0.00 58.31 52.87 1qe1 n LYS 249 Cb 1.11 -2.92 -0.05 0.00 -0.02 0.00 0.00 35.03 33.15 1qe1 n LYS 249 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qe1 s ASP 250 N 2.00 7.55 -0.75 4.39 2.15 -1.26 -4.11 116.67 126.64 1qe1 s ASP 250 Ca 0.58 1.84 0.00 0.00 0.43 0.00 0.00 52.55 55.40 1qe1 s ASP 250 Cb 0.16 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1qe1 s ASP 250 CO -0.07 0.09 0.00 -1.20 -0.17 0.00 0.00 175.17 173.83 1qe1 n SER 251 N 1.95 -2.62 0.00 -0.34 7.64 -1.26 -4.93 113.62 114.05 1qe1 n SER 251 Ca -0.01 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1qe1 n SER 251 Cb 0.48 -2.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 1qe1 n SER 251 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1qe1 n TRP 252 N -2.53 0.00 -1.23 1.43 8.01 -1.26 -3.89 117.44 117.98 1qe1 n TRP 252 Ca -0.09 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.75 1qe1 n TRP 252 Cb 0.46 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.86 1qe1 n TRP 252 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1qe1 n THR 253 N 0.00 2.16 -0.11 -0.99 -2.24 -1.25 -1.21 114.28 110.63 1qe1 n THR 253 Ca 0.00 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1qe1 n THR 253 Cb 0.00 -0.99 0.01 0.00 -2.10 0.00 0.00 70.33 67.25 1qe1 n THR 253 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1qe1 h VAL 254 N -0.53 0.57 -0.90 2.28 2.07 0.48 -2.19 116.25 118.03 1qe1 h VAL 254 Ca -0.46 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.16 1qe1 h VAL 254 Cb 1.33 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 31.54 1qe1 h VAL 254 CO 0.45 0.00 -0.50 -1.13 0.02 0.00 0.00 177.57 176.41 1qe1 h ASN 255 N -0.03 -1.81 -0.44 0.57 -0.00 -1.76 -0.12 115.58 112.00 1qe1 h ASN 255 Ca 0.19 0.31 0.09 0.00 -0.00 0.00 0.00 56.30 56.88 1qe1 h ASN 255 Cb 0.31 0.84 -0.10 0.00 -0.00 0.00 0.00 38.32 39.38 1qe1 h ASN 255 CO -0.41 -0.28 -0.32 0.44 -0.00 0.00 0.00 177.43 176.86 1qe1 h ASP 256 N -0.06 -1.08 0.50 1.15 3.32 -1.72 0.35 116.42 118.88 1qe1 h ASP 256 Ca 0.22 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1qe1 h ASP 256 Cb 0.51 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1qe1 h ASP 256 CO -0.90 -0.31 0.00 -0.38 -1.72 0.00 0.00 179.24 175.93 1qe1 n ILE 257 N -5.42 0.98 -0.07 0.35 -0.00 -0.16 -1.34 119.36 113.70 1qe1 n ILE 257 Ca 0.02 0.34 -0.11 0.00 -0.00 0.00 0.00 62.75 63.00 1qe1 n ILE 257 Cb 0.34 -1.26 -0.09 0.00 -0.00 0.00 0.00 39.64 38.63 1qe1 n ILE 257 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1qe1 h GLN 258 N 0.00 0.00 -0.90 0.38 4.20 0.70 -1.89 115.11 117.60 1qe1 h GLN 258 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1qe1 h GLN 258 Cb 0.25 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 1qe1 h GLN 258 CO 0.00 0.74 0.58 0.87 -0.67 0.00 0.00 178.83 180.35 1qe1 h LYS 259 N -1.00 1.06 0.44 1.46 1.79 -1.01 0.48 116.57 119.80 1qe1 h LYS 259 Ca -0.03 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1qe1 h LYS 259 Cb 0.78 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1qe1 h LYS 259 CO -0.02 0.70 -0.39 1.25 -1.08 0.00 0.00 179.45 179.91 1qe1 h LEU 260 N 1.10 -1.05 -0.73 2.94 5.85 -1.31 0.15 115.31 122.24 1qe1 h LEU 260 Ca 0.37 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1qe1 h LEU 260 Cb 0.06 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1qe1 h LEU 260 CO -0.14 -0.56 0.00 0.58 -0.34 0.00 0.00 178.44 177.99 1qe1 h VAL 261 N -0.84 0.00 0.33 1.05 2.07 -0.70 -0.93 116.25 117.23 1qe1 h VAL 261 Ca -0.04 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1qe1 h VAL 261 Cb 0.73 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1qe1 h VAL 261 CO -0.04 0.00 -0.16 1.23 0.02 0.00 0.00 177.57 178.62 1qe1 h GLY 262 N 2.66 -0.47 -0.01 2.17 0.00 0.75 -2.95 103.07 105.22 1qe1 h GLY 262 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.57 1qe1 h GLY 262 CO 0.00 -0.17 -0.28 1.70 0.00 0.00 0.00 176.54 177.79 1qe1 h LYS 263 N -0.91 -0.24 0.00 4.80 3.64 -0.57 0.71 116.57 123.99 1qe1 h LYS 263 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1qe1 h LYS 263 Cb 0.34 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1qe1 h LYS 263 CO 0.08 -0.16 0.00 -0.07 -2.27 0.00 0.00 179.45 177.02 1qe1 h LEU 264 N -0.25 0.00 0.00 5.20 3.38 -1.31 -1.89 115.31 120.44 1qe1 h LEU 264 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1qe1 h LEU 264 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1qe1 h LEU 264 CO -0.46 0.00 -0.83 -1.13 0.09 0.00 0.00 178.44 176.11 1qe1 h ASN 265 N 0.00 0.00 0.06 -0.43 -1.24 -0.67 -3.29 115.58 110.01 1qe1 h ASN 265 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1qe1 h ASN 265 Cb 0.06 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.12 1qe1 h ASN 265 CO 0.00 0.81 -0.39 -0.25 -1.29 0.00 0.00 177.43 176.32 1qe1 h TRP 266 N 0.00 0.28 0.00 0.67 7.01 -1.28 -3.27 115.95 119.36 1qe1 h TRP 266 Ca -0.01 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.80 1qe1 h TRP 266 Cb 1.63 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.67 1qe1 h TRP 266 CO 0.00 1.12 0.01 0.00 -2.79 0.00 0.00 178.44 176.78 1qe1 n ALA 267 N -2.62 1.04 0.09 2.65 0.00 -1.10 0.04 120.51 120.61 1qe1 n ALA 267 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1qe1 n ALA 267 Cb 0.63 -0.97 0.15 0.00 0.00 0.00 0.00 19.45 19.26 1qe1 n ALA 267 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1qe1 h SER 268 N 0.00 0.25 -0.76 0.00 0.02 -1.63 -0.47 113.55 110.96 1qe1 h SER 268 Ca 0.00 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1qe1 h SER 268 Cb 0.03 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1qe1 h SER 268 CO 0.00 0.75 0.50 1.56 -1.14 0.00 0.00 176.83 178.50 1qe1 h GLN 269 N 0.17 0.91 0.00 3.45 4.20 -0.59 -3.07 115.11 120.18 1qe1 h GLN 269 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1qe1 h GLN 269 Cb 1.03 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1qe1 h GLN 269 CO 0.08 0.60 0.00 -0.89 -0.67 0.00 0.00 178.83 177.95 1qe1 n ILE 270 N -4.45 0.00 -3.56 2.54 5.41 -0.89 -4.81 119.36 113.60 1qe1 n ILE 270 Ca 0.10 0.07 -0.40 0.00 1.00 0.00 0.00 62.75 63.51 1qe1 n ILE 270 Cb 0.12 -0.17 -0.11 0.00 -0.71 0.00 0.00 39.64 38.77 1qe1 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1qe1 s TYR 271 N -0.05 3.22 -2.00 1.39 1.51 -0.24 -4.97 117.35 116.21 1qe1 s TYR 271 Ca 0.00 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1qe1 s TYR 271 Cb 0.00 -2.46 0.06 0.00 -0.11 0.00 0.00 41.96 39.45 1qe1 s TYR 271 CO 0.00 -0.49 1.02 -0.35 -1.11 0.00 0.00 175.55 174.61 1qe1 n PRO 272 N 5.06 0.97 0.03 -1.71 -0.04 -1.16 -3.60 135.00 134.55 1qe1 n PRO 272 Ca -0.12 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1qe1 n PRO 272 Cb 0.48 -1.02 0.48 0.00 -0.04 0.00 0.00 33.50 33.41 1qe1 n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qe1 n GLY 273 N 0.49 -1.50 3.80 0.55 0.00 -1.26 -4.86 105.19 102.42 1qe1 n GLY 273 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1qe1 n GLY 273 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qe1 s ILE 274 N -3.03 3.88 0.06 -0.61 1.10 -1.24 -5.04 121.20 116.31 1qe1 s ILE 274 Ca 0.12 1.04 0.06 0.00 -0.51 0.00 0.00 60.65 61.37 1qe1 s ILE 274 Cb 0.17 -3.45 -0.03 0.00 0.15 0.00 0.00 42.46 39.30 1qe1 s ILE 274 CO 0.58 -0.37 -0.17 -0.75 -2.11 0.00 0.00 174.94 172.12 1qe1 s LYS 275 N -3.60 1.09 -0.22 3.50 2.36 -1.26 -5.02 119.74 116.58 1qe1 s LYS 275 Ca 0.65 -0.91 -0.17 0.00 -2.55 0.00 0.00 55.97 52.99 1qe1 s LYS 275 Cb -0.15 -1.17 -0.14 0.00 -1.05 0.00 0.00 37.83 35.31 1qe1 s LYS 275 CO 0.27 0.29 -0.05 1.33 1.55 0.00 0.00 175.35 178.74 1qe1 n VAL 276 N 1.66 1.51 0.00 4.02 0.24 -1.26 -4.81 118.33 119.69 1qe1 n VAL 276 Ca -0.18 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1qe1 n VAL 276 Cb 0.54 -2.07 0.00 0.00 -1.47 0.00 0.00 33.84 30.84 1qe1 n VAL 276 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1qe1 n ARG 277 N -4.41 0.00 0.00 7.34 0.63 -1.26 -1.23 116.66 117.73 1qe1 n ARG 277 Ca -0.34 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 1qe1 n ARG 277 Cb 0.67 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.58 1qe1 n ARG 277 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1qe1 n GLN 278 N -0.47 0.25 0.00 -0.14 1.13 -1.26 -0.83 117.38 116.06 1qe1 n GLN 278 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1qe1 n GLN 278 Cb 0.00 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1qe1 n GLN 278 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1qe1 n LEU 279 N 0.80 0.00 0.22 1.08 4.77 -0.37 -4.06 117.00 119.43 1qe1 n LEU 279 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1qe1 n LEU 279 Cb 0.12 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.64 1qe1 n LEU 279 CO 0.00 0.00 0.79 0.28 -1.33 0.00 0.00 177.39 177.13 1qe1 h SER 280 N 0.00 0.00 -0.12 -1.43 0.02 -0.91 -2.90 113.55 108.21 1qe1 h SER 280 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1qe1 h SER 280 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qe1 h SER 280 CO 0.00 0.24 -0.01 0.11 -1.14 0.00 0.00 176.83 176.03 1qe1 h LYS 281 N 0.00 0.22 0.00 3.45 6.56 -1.72 -1.53 116.57 123.56 1qe1 h LYS 281 Ca -0.00 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1qe1 h LYS 281 Cb 0.78 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1qe1 h LYS 281 CO 0.03 0.49 0.00 -0.07 -2.06 0.00 0.00 179.45 177.84 1qe1 h LEU 282 N -0.06 0.00 0.00 2.94 3.38 -1.81 0.13 115.31 119.89 1qe1 h LEU 282 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1qe1 h LEU 282 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qe1 h LEU 282 CO 0.01 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 178.11 1qe1 h LEU 283 N 0.00 0.00 -9.59 1.67 3.38 -1.09 -3.47 115.31 106.21 1qe1 h LEU 283 Ca 0.00 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 1qe1 h LEU 283 Cb 0.15 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.95 1qe1 h LEU 283 CO 0.00 0.03 1.04 -0.13 0.09 0.00 0.00 178.44 179.47 1qe1 s ARG 284 N -3.20 4.14 0.00 1.13 0.52 0.46 -4.72 118.95 117.29 1qe1 s ARG 284 Ca 0.06 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.84 1qe1 s ARG 284 Cb 0.10 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1qe1 s ARG 284 CO 0.69 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1qe1 n GLY 285 N 4.06 0.51 2.60 -3.53 0.00 -1.26 -4.90 105.19 102.67 1qe1 n GLY 285 Ca 0.16 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 1qe1 n GLY 285 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qe1 n THR 286 N 0.00 0.00 -2.75 2.61 -1.04 -1.26 -5.16 114.28 106.68 1qe1 n THR 286 Ca 0.00 -0.99 -0.31 0.00 -2.04 0.00 0.00 64.05 60.71 1qe1 n THR 286 Cb 0.00 0.78 -0.04 0.00 -1.82 0.00 0.00 70.33 69.25 1qe1 n THR 286 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qe1 s LYS 287 N 0.11 3.89 0.21 -2.82 1.02 -1.26 -5.03 119.74 115.85 1qe1 s LYS 287 Ca 0.11 0.68 -0.30 0.00 0.02 0.00 0.00 55.97 56.48 1qe1 s LYS 287 Cb 0.23 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 1qe1 s LYS 287 CO -0.05 -0.08 1.44 0.00 -0.92 0.00 0.00 175.35 175.74 1qe1 s ALA 288 N -2.38 3.64 0.26 5.17 0.00 -1.26 -4.88 121.76 122.31 1qe1 s ALA 288 Ca 0.55 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 1qe1 s ALA 288 Cb -0.10 -3.56 0.57 0.00 0.00 0.00 0.00 23.12 20.03 1qe1 s ALA 288 CO 0.28 -0.71 1.67 -0.07 0.00 0.00 0.00 175.76 176.93 1qe1 h LEU 289 N 5.69 0.00 0.00 0.00 3.38 -1.95 -1.92 115.31 120.50 1qe1 h LEU 289 Ca -0.45 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qe1 h LEU 289 Cb 1.21 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1qe1 h LEU 289 CO 0.82 -0.09 0.00 0.41 0.09 0.00 0.00 178.44 179.67 1qe1 n THR 290 N -5.19 0.00 -3.35 0.22 -1.04 -1.26 -1.40 114.28 102.26 1qe1 n THR 290 Ca 0.17 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.79 1qe1 n THR 290 Cb 0.55 -0.53 -0.08 0.00 -1.82 0.00 0.00 70.33 68.45 1qe1 n THR 290 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qe1 s GLU 291 N -2.00 4.07 -1.00 -2.82 2.02 -0.72 -4.82 118.70 113.42 1qe1 s GLU 291 Ca 0.00 0.16 -0.22 0.00 0.02 0.00 0.00 54.97 54.93 1qe1 s GLU 291 Cb 0.00 -3.63 -0.11 0.00 0.10 0.00 0.00 34.13 30.49 1qe1 s GLU 291 CO 0.00 -0.24 1.93 0.28 0.02 0.00 0.00 175.26 177.24 1qe1 n VAL 292 N 4.95 2.04 -0.63 2.63 0.31 -1.26 -0.43 118.33 125.94 1qe1 n VAL 292 Ca -0.07 -1.96 -0.31 0.00 -0.01 0.00 0.00 64.34 61.99 1qe1 n VAL 292 Cb 0.51 -2.27 0.19 0.00 -0.91 0.00 0.00 33.84 31.36 1qe1 n VAL 292 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1qe1 n ILE 293 N 6.77 0.00 -2.74 2.52 5.41 -0.35 -4.81 119.36 126.15 1qe1 n ILE 293 Ca 0.48 -0.23 -0.43 0.00 1.00 0.00 0.00 62.75 63.57 1qe1 n ILE 293 Cb 0.43 -0.86 -0.03 0.00 -0.71 0.00 0.00 39.64 38.47 1qe1 n ILE 293 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1qe1 s PRO 294 N -4.18 4.05 -1.10 0.38 0.04 -1.26 -4.57 135.00 128.36 1qe1 s PRO 294 Ca 0.64 0.93 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 1qe1 s PRO 294 Cb -0.22 -3.73 -0.08 0.00 0.04 0.00 0.00 34.50 30.51 1qe1 s PRO 294 CO 0.63 -0.80 1.92 1.28 0.04 0.00 0.00 177.00 180.07 1qe1 n LEU 295 N 6.60 3.72 -4.73 -3.56 4.77 -1.25 -4.93 117.00 117.61 1qe1 n LEU 295 Ca 0.09 -3.23 -0.38 0.00 -0.03 0.00 0.00 56.01 52.46 1qe1 n LEU 295 Cb 0.47 -1.57 0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1qe1 n LEU 295 CO 0.56 -1.09 0.94 0.35 -1.33 0.00 0.00 177.39 176.81 1qe1 n THR 296 N 7.05 4.32 0.41 -5.08 -2.24 -1.26 -4.84 114.28 112.64 1qe1 n THR 296 Ca 0.47 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1qe1 n THR 296 Cb 0.45 -1.58 0.04 0.00 -2.10 0.00 0.00 70.33 67.14 1qe1 n THR 296 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1qe1 n GLU 297 N -1.39 0.20 -0.01 -0.78 0.00 -1.26 -1.25 120.64 116.16 1qe1 n GLU 297 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.32 1qe1 n GLU 297 Cb 0.46 -1.12 -0.07 0.00 0.00 0.00 0.00 31.44 30.72 1qe1 n GLU 297 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1qe1 n GLU 298 N -0.62 0.52 0.08 3.44 0.28 -1.26 -4.28 120.64 118.81 1qe1 n GLU 298 Ca 0.01 -0.07 -0.22 0.00 -0.16 0.00 0.00 57.16 56.72 1qe1 n GLU 298 Cb 0.01 -1.21 -0.15 0.00 1.43 0.00 0.00 31.44 31.52 1qe1 n GLU 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qe1 h ALA 299 N 0.75 0.15 0.00 -1.84 0.00 -1.32 -3.18 119.26 113.82 1qe1 h ALA 299 Ca -0.02 -1.10 -0.04 0.00 0.00 0.00 0.00 54.91 53.75 1qe1 h ALA 299 Cb 0.52 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1qe1 h ALA 299 CO 0.00 1.02 -0.17 0.93 0.00 0.00 0.00 179.25 181.02 1qe1 h GLU 300 N 0.10 0.00 -0.21 0.00 4.39 -1.70 0.35 114.58 117.51 1qe1 h GLU 300 Ca -0.31 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 1qe1 h GLU 300 Cb 2.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.73 1qe1 h GLU 300 CO 0.19 0.17 0.01 1.25 -1.16 0.00 0.00 179.01 179.47 1qe1 h LEU 301 N 0.00 0.36 -0.20 1.33 5.85 -1.74 -0.65 115.31 120.27 1qe1 h LEU 301 Ca -0.00 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.29 1qe1 h LEU 301 Cb 0.37 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1qe1 h LEU 301 CO 0.02 0.57 -0.37 -0.08 -0.34 0.00 0.00 178.44 178.24 1qe1 h GLU 302 N 0.14 0.60 -0.36 1.25 4.57 -1.24 -3.07 114.58 116.47 1qe1 h GLU 302 Ca 0.06 -0.38 -0.11 0.00 -1.18 0.00 0.00 59.36 57.75 1qe1 h GLU 302 Cb 0.38 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1qe1 h GLU 302 CO 0.01 0.99 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.56 1qe1 h LEU 303 N 0.27 0.79 -1.52 1.64 3.38 -0.31 0.12 115.31 119.68 1qe1 h LEU 303 Ca 0.01 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1qe1 h LEU 303 Cb 0.97 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1qe1 h LEU 303 CO 0.08 1.04 -0.25 0.00 0.09 0.00 0.00 178.44 179.40 1qe1 h ALA 304 N 0.78 1.48 0.01 1.53 0.00 -1.23 0.78 119.26 122.61 1qe1 h ALA 304 Ca 0.08 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1qe1 h ALA 304 Cb 0.75 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1qe1 h ALA 304 CO 0.06 0.31 -0.91 1.05 0.00 0.00 0.00 179.25 179.76 1qe1 h GLU 305 N 0.00 0.05 -0.10 0.00 4.11 -1.42 -2.83 114.58 114.39 1qe1 h GLU 305 Ca -0.00 -0.07 -0.22 0.00 0.07 0.00 0.00 59.36 59.14 1qe1 h GLU 305 Cb 0.47 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1qe1 h GLU 305 CO 0.03 0.92 -0.82 -2.95 0.07 0.00 0.00 179.01 176.26 1qe1 h ASN 306 N 0.02 0.79 -0.76 3.06 7.08 0.58 -2.89 115.58 123.46 1qe1 h ASN 306 Ca -0.02 -0.54 0.06 0.00 -3.08 0.00 0.00 56.30 52.71 1qe1 h ASN 306 Cb 1.59 -0.24 -0.06 0.00 -2.08 0.00 0.00 38.32 37.53 1qe1 h ASN 306 CO 0.12 1.33 0.46 0.03 -2.08 0.00 0.00 177.43 177.29 1qe1 h ARG 307 N 0.43 0.81 0.75 4.14 2.47 0.52 -3.26 114.38 120.25 1qe1 h ARG 307 Ca -0.06 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 1qe1 h ARG 307 Cb 1.44 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1qe1 h ARG 307 CO 0.16 0.54 -0.36 0.93 0.56 0.00 0.00 179.97 181.80 1qe1 h GLU 308 N 0.84 -0.98 0.00 0.04 4.39 -1.44 -3.16 114.58 114.27 1qe1 h GLU 308 Ca 0.34 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1qe1 h GLU 308 Cb 0.17 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1qe1 h GLU 308 CO -0.17 -0.65 0.23 0.97 -1.16 0.00 0.00 179.01 178.23 1qe1 h ILE 309 N -1.26 0.00 0.02 3.13 6.09 -1.58 -1.32 117.51 122.59 1qe1 h ILE 309 Ca -0.10 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.33 1qe1 h ILE 309 Cb 0.78 0.45 0.01 0.00 0.47 0.00 0.00 36.82 38.52 1qe1 h ILE 309 CO 0.17 0.00 -0.24 -0.07 -3.07 0.00 0.00 178.15 174.94 1qe1 h LEU 310 N 0.00 0.18 -5.97 2.19 3.38 -1.59 -3.35 115.31 110.15 1qe1 h LEU 310 Ca 0.00 -0.87 -0.70 0.00 0.09 0.00 0.00 57.88 56.40 1qe1 h LEU 310 Cb 0.46 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1qe1 h LEU 310 CO 0.00 1.02 3.11 0.29 0.09 0.00 0.00 178.44 182.95 1qe1 n LYS 311 N -4.50 2.78 -3.61 1.13 5.02 -0.50 -4.76 118.16 113.72 1qe1 n LYS 311 Ca -0.10 -2.49 -0.10 0.00 -2.02 0.00 0.00 58.31 53.59 1qe1 n LYS 311 Cb 0.54 -3.21 -0.06 0.00 -0.02 0.00 0.00 35.03 32.27 1qe1 n LYS 311 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qe1 s GLU 312 N 3.30 0.58 0.06 1.97 2.12 -1.26 -4.99 118.70 120.49 1qe1 s GLU 312 Ca 0.49 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 1qe1 s GLU 312 Cb 0.14 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.76 1qe1 s GLU 312 CO -0.07 -0.12 1.08 -1.25 -0.54 0.00 0.00 175.26 174.37 1qe1 s PRO 313 N -0.26 4.52 1.00 4.30 0.04 -1.26 -5.03 135.00 138.32 1qe1 s PRO 313 Ca 0.01 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1qe1 s PRO 313 Cb -0.03 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.14 1qe1 s PRO 313 CO -0.02 -0.09 0.03 0.28 0.04 0.00 0.00 177.00 177.23 1qe1 n VAL 314 N 3.61 0.00 -4.18 -0.36 0.31 -1.26 -4.99 118.33 111.46 1qe1 n VAL 314 Ca 0.06 -0.25 -0.34 0.00 -0.01 0.00 0.00 64.34 63.80 1qe1 n VAL 314 Cb 0.48 -0.50 -0.08 0.00 -0.91 0.00 0.00 33.84 32.84 1qe1 n VAL 314 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1qe1 s HIS 315 N -2.28 3.27 0.00 3.52 3.76 -1.26 -4.53 115.29 117.77 1qe1 s HIS 315 Ca 0.53 0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1qe1 s HIS 315 Cb -0.17 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.74 1qe1 s HIS 315 CO 0.69 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 175.54 1qe1 n GLY 316 N 1.66 1.16 3.59 -2.22 0.00 -1.26 -4.98 105.19 103.14 1qe1 n GLY 316 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1qe1 n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qe1 s VAL 317 N -2.71 3.95 -0.16 1.61 -7.23 -1.26 -4.98 120.40 109.62 1qe1 s VAL 317 Ca 0.00 0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 60.95 1qe1 s VAL 317 Cb 0.00 -4.47 0.05 0.00 0.56 0.00 0.00 36.38 32.52 1qe1 s VAL 317 CO 0.00 -1.06 0.40 -0.72 -0.31 0.00 0.00 175.10 173.41 1qe1 s TYR 318 N 5.35 -0.49 0.40 2.82 -0.85 -1.26 -5.03 117.35 118.28 1qe1 s TYR 318 Ca 0.52 1.14 -0.26 0.00 -0.52 0.00 0.00 57.07 57.95 1qe1 s TYR 318 Cb -0.10 0.19 -0.11 0.00 0.38 0.00 0.00 41.96 42.32 1qe1 s TYR 318 CO 0.29 -0.26 1.30 0.98 -1.52 0.00 0.00 175.55 176.34 1qe1 n TYR 319 N 3.39 2.28 -3.96 -3.49 9.36 -1.26 -5.02 117.16 118.47 1qe1 n TYR 319 Ca -0.17 0.51 -0.26 0.00 3.32 0.00 0.00 57.90 61.30 1qe1 n TYR 319 Cb 0.56 -2.41 -0.17 0.00 -0.63 0.00 0.00 39.34 36.70 1qe1 n TYR 319 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1qe1 s ASP 320 N -0.43 2.01 0.00 2.98 -1.08 -1.26 -5.01 116.67 113.88 1qe1 s ASP 320 Ca 0.59 -0.27 0.10 0.00 -0.52 0.00 0.00 52.55 52.45 1qe1 s ASP 320 Cb -0.52 -0.77 0.44 0.00 -1.46 0.00 0.00 42.92 40.62 1qe1 s ASP 320 CO 0.60 -0.11 1.32 -2.65 0.52 0.00 0.00 175.17 174.85 1qe1 n PRO 321 N 4.83 0.01 0.00 4.34 -0.02 -1.26 -3.42 135.00 139.47 1qe1 n PRO 321 Ca -0.13 0.32 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1qe1 n PRO 321 Cb 0.50 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.36 1qe1 n PRO 321 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qe1 h SER 322 N 0.00 0.00 -2.64 2.55 4.64 -2.03 -3.48 113.55 112.59 1qe1 h SER 322 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1qe1 h SER 322 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1qe1 h SER 322 CO 0.00 0.91 -0.40 -0.54 -0.87 0.00 0.00 176.83 175.93 1qe1 s LYS 323 N -2.68 3.47 0.80 4.77 1.02 -1.22 -5.08 119.74 120.82 1qe1 s LYS 323 Ca -0.04 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 1qe1 s LYS 323 Cb 0.08 -2.89 0.08 0.00 -0.52 0.00 0.00 37.83 34.58 1qe1 s LYS 323 CO 0.82 0.45 1.11 -0.51 -0.92 0.00 0.00 175.35 176.30 1qe1 s ASP 324 N -3.32 4.09 -0.03 2.83 1.01 -1.26 -4.94 116.67 115.05 1qe1 s ASP 324 Ca 0.36 1.95 -0.06 0.00 0.71 0.00 0.00 52.55 55.52 1qe1 s ASP 324 Cb -0.11 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1qe1 s ASP 324 CO 0.29 -2.32 0.21 -0.76 0.21 0.00 0.00 175.17 172.80 1qe1 s LEU 325 N -6.03 4.38 0.04 1.23 1.43 -1.26 -4.41 118.68 114.06 1qe1 s LEU 325 Ca 0.63 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 1qe1 s LEU 325 Cb -0.19 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1qe1 s LEU 325 CO 0.55 0.30 -0.11 -0.63 0.23 0.00 0.00 176.35 176.70 1qe1 s ILE 326 N -1.23 0.85 0.01 -0.59 1.09 0.13 -0.05 121.20 121.42 1qe1 s ILE 326 Ca 0.24 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.83 1qe1 s ILE 326 Cb -0.13 -0.81 -0.01 0.00 -1.06 0.00 0.00 42.46 40.45 1qe1 s ILE 326 CO 0.14 -0.13 -0.05 0.00 -0.10 0.00 0.00 174.94 174.80 1qe1 s ALA 327 N -0.97 0.37 0.01 9.38 0.00 -0.70 -0.44 121.76 129.40 1qe1 s ALA 327 Ca -0.02 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1qe1 s ALA 327 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1qe1 s ALA 327 CO 0.01 0.05 -0.16 -1.21 0.00 0.00 0.00 175.76 174.45 1qe1 s GLU 328 N -0.47 1.19 -0.07 0.00 2.02 -0.43 -1.12 118.70 119.83 1qe1 s GLU 328 Ca -0.02 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.36 1qe1 s GLU 328 Cb -0.04 -1.19 -0.00 0.00 0.10 0.00 0.00 34.13 33.01 1qe1 s GLU 328 CO -0.00 0.32 -0.20 0.42 0.02 0.00 0.00 175.26 175.82 1qe1 s ILE 329 N -0.53 1.66 -0.23 -1.63 1.01 -1.25 -1.26 121.20 118.97 1qe1 s ILE 329 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1qe1 s ILE 329 Cb -0.07 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 41.00 1qe1 s ILE 329 CO 0.00 0.47 -0.13 -1.10 0.00 0.00 0.00 174.94 174.18 1qe1 s GLN 330 N 0.21 2.65 0.76 2.79 1.11 -0.74 -4.35 119.66 122.08 1qe1 s GLN 330 Ca -0.10 -1.07 -0.15 0.00 0.01 0.00 0.00 55.36 54.05 1qe1 s GLN 330 Cb -0.15 -2.79 0.05 0.00 -1.01 0.00 0.00 33.01 29.11 1qe1 s GLN 330 CO 0.05 -0.40 1.24 0.21 0.01 0.00 0.00 175.29 176.40 1qe1 s LYS 331 N 1.22 1.92 -0.36 2.91 2.20 -1.26 -2.69 119.74 123.68 1qe1 s LYS 331 Ca -0.02 1.88 0.13 0.00 -0.36 0.00 0.00 55.97 57.60 1qe1 s LYS 331 Cb -0.17 -1.79 0.42 0.00 -1.51 0.00 0.00 37.83 34.78 1qe1 s LYS 331 CO -0.08 -2.03 1.33 1.04 -0.36 0.00 0.00 175.35 175.25 1qe1 n GLN 332 N -2.84 1.28 0.00 4.03 1.13 -0.60 -4.89 117.38 115.49 1qe1 n GLN 332 Ca 0.14 -2.01 0.00 0.00 -1.94 0.00 0.00 57.00 53.19 1qe1 n GLN 332 Cb 0.50 -0.22 0.00 0.00 0.11 0.00 0.00 30.24 30.62 1qe1 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qe1 n GLY 333 N -0.78 0.51 3.56 1.08 0.00 -1.26 -4.60 105.19 103.70 1qe1 n GLY 333 Ca -0.04 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1qe1 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qe1 s GLN 334 N 0.00 3.15 -1.55 1.61 -1.52 -1.26 -3.85 119.66 116.24 1qe1 s GLN 334 Ca 0.00 0.20 -0.17 0.00 -1.95 0.00 0.00 55.36 53.45 1qe1 s GLN 334 Cb 0.00 -4.19 0.14 0.00 -0.22 0.00 0.00 33.01 28.75 1qe1 s GLN 334 CO 0.00 -2.15 0.66 0.41 -0.25 0.00 0.00 175.29 173.96 1qe1 n GLY 335 N 5.37 -0.45 3.19 3.09 0.00 -1.26 -4.88 105.19 110.25 1qe1 n GLY 335 Ca 0.10 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1qe1 n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qe1 s GLN 336 N -6.67 1.76 0.13 1.61 0.74 -1.25 -3.07 119.66 112.90 1qe1 s GLN 336 Ca 0.65 -0.69 -0.04 0.00 0.05 0.00 0.00 55.36 55.33 1qe1 s GLN 336 Cb -0.36 -1.61 -0.03 0.00 1.10 0.00 0.00 33.01 32.12 1qe1 s GLN 336 CO 0.80 0.36 0.13 -1.58 -0.55 0.00 0.00 175.29 174.45 1qe1 s TRP 337 N -0.26 0.62 0.12 1.67 0.52 0.14 -1.56 118.94 120.19 1qe1 s TRP 337 Ca 0.03 -1.01 -0.01 0.00 0.02 0.00 0.00 56.10 55.12 1qe1 s TRP 337 Cb -0.10 -0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.88 1qe1 s TRP 337 CO 0.01 -0.57 0.04 0.95 0.02 0.00 0.00 176.95 177.39 1qe1 s THR 338 N -3.99 0.13 0.17 2.01 -4.23 -1.09 -2.00 115.64 106.63 1qe1 s THR 338 Ca 0.19 -1.90 -0.23 0.00 -1.18 0.00 0.00 61.69 58.57 1qe1 s THR 338 Cb 0.06 -1.96 0.06 0.00 1.34 0.00 0.00 72.50 72.00 1qe1 s THR 338 CO -0.01 -0.55 0.63 -0.72 -0.54 0.00 0.00 174.62 173.43 1qe1 s TYR 339 N -4.02 -0.48 -0.04 3.99 -0.85 0.54 -1.80 117.35 114.69 1qe1 s TYR 339 Ca 0.21 0.24 -0.03 0.00 -0.52 0.00 0.00 57.07 56.97 1qe1 s TYR 339 Cb 0.08 0.58 0.01 0.00 0.38 0.00 0.00 41.96 43.01 1qe1 s TYR 339 CO -0.00 -0.89 0.10 -0.65 -1.52 0.00 0.00 175.55 172.59 1qe1 s GLN 340 N -3.75 0.10 -0.15 -3.49 1.11 -0.39 -1.33 119.66 111.76 1qe1 s GLN 340 Ca 0.03 0.17 0.00 0.00 0.01 0.00 0.00 55.36 55.57 1qe1 s GLN 340 Cb -0.02 -0.00 0.03 0.00 -1.01 0.00 0.00 33.01 32.01 1qe1 s GLN 340 CO -0.10 -0.05 -0.11 0.42 0.01 0.00 0.00 175.29 175.47 1qe1 s ILE 341 N 0.29 1.40 0.25 1.08 1.01 0.16 -1.31 121.20 124.07 1qe1 s ILE 341 Ca -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1qe1 s ILE 341 Cb -0.03 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1qe1 s ILE 341 CO -0.01 0.34 0.34 -0.72 0.00 0.00 0.00 174.94 174.89 1qe1 s TYR 342 N 1.54 0.82 -0.09 3.97 -0.85 0.41 -0.83 117.35 122.32 1qe1 s TYR 342 Ca 0.03 -1.09 -0.03 0.00 -0.52 0.00 0.00 57.07 55.47 1qe1 s TYR 342 Cb -0.14 -0.17 -0.05 0.00 0.38 0.00 0.00 41.96 41.99 1qe1 s TYR 342 CO -0.09 -0.88 -0.10 1.04 -1.52 0.00 0.00 175.55 174.00 1qe1 n GLN 343 N -0.38 0.20 -4.14 -3.49 6.02 -1.26 0.22 117.38 114.56 1qe1 n GLN 343 Ca 0.00 0.07 -0.34 0.00 -0.01 0.00 0.00 57.00 56.72 1qe1 n GLN 343 Cb 0.63 -0.97 -0.14 0.00 1.02 0.00 0.00 30.24 30.79 1qe1 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1qe1 s GLU 344 N -2.17 3.35 0.05 -1.09 2.02 -1.26 -4.88 118.70 114.72 1qe1 s GLU 344 Ca -0.12 -0.66 -0.32 0.00 0.02 0.00 0.00 54.97 53.89 1qe1 s GLU 344 Cb 0.04 -2.87 -0.17 0.00 0.10 0.00 0.00 34.13 31.23 1qe1 s GLU 344 CO 0.18 -0.09 0.79 -0.35 0.02 0.00 0.00 175.26 175.81 1qe1 n PRO 345 N 4.44 0.00 -0.53 0.39 -0.04 -1.26 -0.85 135.00 137.14 1qe1 n PRO 345 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1qe1 n PRO 345 Cb 0.51 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1qe1 n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qe1 n PHE 346 N 0.92 0.00 -2.99 0.54 3.01 -1.26 -4.90 117.46 112.78 1qe1 n PHE 346 Ca 0.17 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.23 1qe1 n PHE 346 Cb 0.12 -0.70 -0.00 0.00 -0.01 0.00 0.00 39.48 38.88 1qe1 n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1qe1 n LYS 347 N -2.00 4.38 -1.66 -1.08 5.02 -0.03 -4.69 118.16 118.09 1qe1 n LYS 347 Ca 0.00 -4.61 -0.47 0.00 -2.02 0.00 0.00 58.31 51.21 1qe1 n LYS 347 Cb 0.00 -2.46 -0.05 0.00 -0.02 0.00 0.00 35.03 32.50 1qe1 n LYS 347 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qe1 n ASN 348 N 0.93 3.00 -0.08 4.39 4.13 -1.26 -4.46 115.26 121.92 1qe1 n ASN 348 Ca 0.31 1.06 -0.06 0.00 1.68 0.00 0.00 54.58 57.57 1qe1 n ASN 348 Cb 0.33 -1.39 -0.16 0.00 -1.54 0.00 0.00 39.78 37.03 1qe1 n ASN 348 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1qe1 n LEU 349 N 4.00 0.08 -3.63 3.41 4.77 -0.01 -4.90 117.00 120.72 1qe1 n LEU 349 Ca 0.18 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1qe1 n LEU 349 Cb 0.28 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1qe1 n LEU 349 CO 0.66 0.40 0.69 -0.75 -1.33 0.00 0.00 177.39 177.06 1qe1 s LYS 350 N -2.67 0.56 -0.08 3.23 2.20 -0.73 -4.97 119.74 117.28 1qe1 s LYS 350 Ca -0.09 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1qe1 s LYS 350 Cb 0.07 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1qe1 s LYS 350 CO 0.84 -0.07 -0.05 0.95 -0.36 0.00 0.00 175.35 176.66 1qe1 s THR 351 N 0.20 0.73 0.30 3.43 -4.23 -1.26 -0.66 115.64 114.15 1qe1 s THR 351 Ca 0.02 -0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1qe1 s THR 351 Cb -0.05 -0.77 -0.00 0.00 1.34 0.00 0.00 72.50 73.01 1qe1 s THR 351 CO -0.05 0.30 0.43 -0.83 -0.54 0.00 0.00 174.62 173.93 1qe1 s GLY 352 N 1.40 1.25 -0.37 3.99 0.00 -0.44 -1.31 107.32 111.84 1qe1 s GLY 352 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1qe1 s GLY 352 CO -0.03 -0.96 0.18 -1.59 0.00 0.00 0.00 173.10 170.70 1qe1 s LYS 353 N -3.43 0.84 -0.00 2.90 -2.85 -1.26 -0.34 119.74 115.59 1qe1 s LYS 353 Ca 0.30 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 1qe1 s LYS 353 Cb 0.00 -1.88 -0.06 0.00 -2.06 0.00 0.00 37.83 33.83 1qe1 s LYS 353 CO 0.16 -1.11 1.60 -0.47 0.10 0.00 0.00 175.35 175.63 1qe1 s TYR 354 N 1.06 2.31 -0.26 1.78 5.04 -0.85 -4.79 117.35 121.64 1qe1 s TYR 354 Ca 0.15 0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 1qe1 s TYR 354 Cb -0.21 -3.88 0.13 0.00 0.35 0.00 0.00 41.96 38.36 1qe1 s TYR 354 CO -0.10 -3.54 0.33 0.00 -1.34 0.00 0.00 175.55 170.89 1qe1 s ALA 355 N 3.23 -0.75 -0.45 3.97 0.00 -1.26 -0.68 121.76 125.83 1qe1 s ALA 355 Ca 0.71 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1qe1 s ALA 355 Cb -0.35 -1.74 0.29 0.00 0.00 0.00 0.00 23.12 21.32 1qe1 s ALA 355 CO 0.30 -1.52 1.08 2.89 0.00 0.00 0.00 175.76 178.51 1qe1 n ARG 356 N 5.34 0.77 -3.74 0.00 1.85 -1.18 -5.00 116.66 114.70 1qe1 n ARG 356 Ca -0.03 -1.63 -0.12 0.00 -1.00 0.00 0.00 57.85 55.07 1qe1 n ARG 356 Cb 0.48 -1.02 -0.12 0.00 -1.05 0.00 0.00 32.46 30.75 1qe1 n ARG 356 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1qe1 s MET 357 N 0.38 0.25 -0.29 2.89 1.00 -1.24 -5.02 119.30 117.27 1qe1 s MET 357 Ca 0.26 0.50 -0.19 0.00 0.00 0.00 0.00 55.69 56.26 1qe1 s MET 357 Cb 0.26 -0.03 0.16 0.00 0.00 0.00 0.00 34.83 35.22 1qe1 s MET 357 CO -0.14 -0.13 1.12 1.03 0.00 0.00 0.00 175.02 176.90 1qe1 s ARG 358 N 0.95 0.27 4.78 2.03 3.00 -1.26 -4.00 118.95 124.72 1qe1 s ARG 358 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 55.73 56.09 1qe1 s ARG 358 Cb -0.08 0.08 0.00 0.00 0.00 0.00 0.00 34.95 34.95 1qe1 s ARG 358 CO -0.06 -0.05 0.00 0.41 0.00 0.00 0.00 175.30 175.60 1qe1 n GLY 359 N 3.02 1.37 0.34 -3.53 0.00 -1.26 -3.63 105.19 101.50 1qe1 n GLY 359 Ca -0.16 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1qe1 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe1 h ALA 360 N -0.45 1.07 -0.04 4.61 0.00 -2.03 -2.11 119.26 120.30 1qe1 h ALA 360 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qe1 h ALA 360 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1qe1 h ALA 360 CO 0.00 0.66 0.00 1.58 0.00 0.00 0.00 179.25 181.49 1qe1 n HIS 361 N -4.27 0.04 -2.25 0.00 -0.00 -1.24 -4.60 115.22 102.89 1qe1 n HIS 361 Ca 0.07 -0.02 -0.39 0.00 -0.00 0.00 0.00 57.72 57.38 1qe1 n HIS 361 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.16 1qe1 n HIS 361 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1qe1 n THR 362 N -0.31 3.17 -3.69 3.57 -1.04 -0.80 -4.53 114.28 110.66 1qe1 n THR 362 Ca 0.19 -3.22 -0.14 0.00 -2.04 0.00 0.00 64.05 58.84 1qe1 n THR 362 Cb 0.23 -2.32 -0.14 0.00 -1.82 0.00 0.00 70.33 66.28 1qe1 n THR 362 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1qe1 s ASN 363 N 4.82 0.25 0.13 8.00 3.84 -1.26 -4.90 114.94 125.82 1qe1 s ASN 363 Ca 0.58 0.49 -0.17 0.00 0.21 0.00 0.00 52.86 53.97 1qe1 s ASN 363 Cb 0.04 0.49 -0.02 0.00 -0.55 0.00 0.00 41.25 41.21 1qe1 s ASN 363 CO 0.08 -0.21 1.72 0.44 -2.79 0.00 0.00 177.10 176.34 1qe1 h ASP 364 N 7.94 0.43 -0.17 -4.21 5.19 -2.00 -1.84 116.42 121.76 1qe1 h ASP 364 Ca -0.23 -0.10 -0.15 0.00 -0.62 0.00 0.00 57.03 55.93 1qe1 h ASP 364 Cb 1.13 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1qe1 h ASP 364 CO 0.22 0.41 -0.42 0.58 -3.12 0.00 0.00 179.24 176.91 1qe1 h VAL 365 N 0.41 1.29 -0.16 -1.35 2.07 -1.98 -1.93 116.25 114.61 1qe1 h VAL 365 Ca 0.12 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1qe1 h VAL 365 Cb 0.08 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1qe1 h VAL 365 CO -0.02 0.52 0.10 0.50 0.02 0.00 0.00 177.57 178.69 1qe1 h LYS 366 N 0.58 0.22 -0.17 1.57 3.64 -1.88 -1.58 116.57 118.94 1qe1 h LYS 366 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1qe1 h LYS 366 Cb 0.97 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1qe1 h LYS 366 CO 0.09 0.17 0.08 1.96 -2.27 0.00 0.00 179.45 179.48 1qe1 h GLN 367 N 0.21 0.25 -0.03 1.90 4.20 -1.30 -2.09 115.11 118.25 1qe1 h GLN 367 Ca 0.06 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1qe1 h GLN 367 Cb -0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1qe1 h GLN 367 CO -0.01 0.29 -0.08 1.25 -0.67 0.00 0.00 178.83 179.61 1qe1 h LEU 368 N 0.15 -0.24 -0.13 1.46 5.85 -1.28 -0.97 115.31 120.13 1qe1 h LEU 368 Ca 0.06 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1qe1 h LEU 368 Cb 0.13 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1qe1 h LEU 368 CO -0.01 -0.12 -0.17 0.74 -0.34 0.00 0.00 178.44 178.55 1qe1 h THR 369 N -0.13 0.00 -0.89 1.05 2.02 -1.16 0.14 112.91 113.93 1qe1 h THR 369 Ca 0.04 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.44 1qe1 h THR 369 Cb 0.19 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.47 1qe1 h THR 369 CO -0.11 0.00 0.40 -0.33 0.37 0.00 0.00 175.52 175.85 1qe1 h GLU 370 N -0.11 0.40 -0.53 6.66 5.08 -1.32 0.11 114.58 124.88 1qe1 h GLU 370 Ca 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1qe1 h GLU 370 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1qe1 h GLU 370 CO -0.18 0.27 0.27 0.00 -1.00 0.00 0.00 179.01 178.36 1qe1 h ALA 371 N 1.70 0.68 -0.46 3.43 0.00 0.28 -1.67 119.26 123.23 1qe1 h ALA 371 Ca 0.55 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.44 1qe1 h ALA 371 Cb 1.04 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1qe1 h ALA 371 CO -0.52 0.22 0.03 0.28 0.00 0.00 0.00 179.25 179.26 1qe1 h VAL 372 N 0.71 0.68 0.44 0.00 2.07 0.18 -1.68 116.25 118.65 1qe1 h VAL 372 Ca 0.18 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1qe1 h VAL 372 Cb 0.09 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1qe1 h VAL 372 CO -0.03 0.03 -0.21 1.56 0.02 0.00 0.00 177.57 178.94 1qe1 h GLN 373 N 0.14 -0.57 -0.90 1.57 4.20 -1.06 0.06 115.11 118.56 1qe1 h GLN 373 Ca 0.23 0.04 0.26 0.00 0.06 0.00 0.00 58.65 59.24 1qe1 h GLN 373 Cb 0.33 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1qe1 h GLN 373 CO -0.36 -0.33 0.67 0.87 -0.67 0.00 0.00 178.83 179.02 1qe1 h LYS 374 N -0.68 0.00 0.17 1.46 1.57 -0.77 0.81 116.57 119.12 1qe1 h LYS 374 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 1qe1 h LYS 374 Cb 0.50 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.85 1qe1 h LYS 374 CO 0.10 0.00 -1.31 0.82 -0.57 0.00 0.00 179.45 178.48 1qe1 h ILE 375 N 0.00 1.29 -0.16 1.86 2.04 -0.96 -2.83 117.51 118.75 1qe1 h ILE 375 Ca 0.43 -2.54 -0.04 0.00 1.00 0.00 0.00 64.86 63.71 1qe1 h ILE 375 Cb 1.77 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 40.67 1qe1 h ILE 375 CO -0.00 0.77 -0.04 0.74 0.00 0.00 0.00 178.15 179.61 1qe1 h THR 376 N 0.21 1.29 -0.31 -0.27 2.02 0.25 -2.56 112.91 113.54 1qe1 h THR 376 Ca -0.21 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 1qe1 h THR 376 Cb 2.00 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 1qe1 h THR 376 CO 0.25 0.29 -0.10 0.71 0.37 0.00 0.00 175.52 177.05 1qe1 h THR 377 N 0.01 1.23 0.00 3.16 1.35 -0.90 -2.55 112.91 115.21 1qe1 h THR 377 Ca 0.04 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1qe1 h THR 377 Cb 0.47 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1qe1 h THR 377 CO 0.02 0.33 0.00 -0.33 -0.25 0.00 0.00 175.52 175.28 1qe1 h GLU 378 N 0.49 0.00 0.02 4.72 5.08 -1.22 -0.73 114.58 122.94 1qe1 h GLU 378 Ca 0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 1qe1 h GLU 378 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1qe1 h GLU 378 CO 0.03 0.00 -1.66 0.77 -1.00 0.00 0.00 179.01 177.14 1qe1 h SER 379 N 0.00 0.05 0.55 1.42 0.02 -1.06 -2.30 113.55 112.24 1qe1 h SER 379 Ca 0.00 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1qe1 h SER 379 Cb 0.24 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1qe1 h SER 379 CO 0.00 1.10 -0.27 0.40 -1.14 0.00 0.00 176.83 176.92 1qe1 h ILE 380 N 0.01 0.07 -0.76 3.27 2.04 -1.19 1.81 117.51 122.75 1qe1 h ILE 380 Ca -0.27 -0.46 0.16 0.00 1.00 0.00 0.00 64.86 65.29 1qe1 h ILE 380 Cb 1.99 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.07 1qe1 h ILE 380 CO 0.09 0.01 0.27 0.58 0.00 0.00 0.00 178.15 179.10 1qe1 h VAL 381 N -1.17 0.59 0.11 1.67 2.07 -1.30 0.19 116.25 118.41 1qe1 h VAL 381 Ca -0.08 -0.13 -0.29 0.00 0.82 0.00 0.00 66.70 67.03 1qe1 h VAL 381 Cb 0.59 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1qe1 h VAL 381 CO 0.12 0.07 -1.49 0.40 0.02 0.00 0.00 177.57 176.69 1qe1 h ILE 382 N 0.38 0.97 0.00 4.57 2.04 -1.27 -3.38 117.51 120.82 1qe1 h ILE 382 Ca 0.43 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1qe1 h ILE 382 Cb 0.71 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 1qe1 h ILE 382 CO -0.45 0.71 -0.91 0.79 0.00 0.00 0.00 178.15 178.28 1qe1 n TRP 383 N -3.89 0.00 -2.14 1.37 8.01 0.57 -5.02 117.44 116.35 1qe1 n TRP 383 Ca -0.26 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 55.89 1qe1 n TRP 383 Cb 0.91 -0.06 0.02 0.00 -2.01 0.00 0.00 31.31 30.17 1qe1 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qe1 n GLY 384 N 2.00 0.32 3.63 6.99 0.00 0.14 -4.95 105.19 113.34 1qe1 n GLY 384 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1qe1 n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qe1 s LYS 385 N -3.83 0.13 0.02 1.61 2.20 -1.21 -4.92 119.74 113.73 1qe1 s LYS 385 Ca 0.06 0.03 -0.19 0.00 -0.36 0.00 0.00 55.97 55.51 1qe1 s LYS 385 Cb -0.01 0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.31 1qe1 s LYS 385 CO 0.18 -0.04 0.55 0.95 -0.36 0.00 0.00 175.35 176.63 1qe1 s THR 386 N -0.98 4.87 0.32 3.43 -4.23 -1.26 -3.68 115.64 114.10 1qe1 s THR 386 Ca 0.07 1.15 -0.14 0.00 -1.18 0.00 0.00 61.69 61.60 1qe1 s THR 386 Cb -0.01 -3.88 -0.09 0.00 1.34 0.00 0.00 72.50 69.87 1qe1 s THR 386 CO -0.07 0.50 0.72 -2.84 -0.54 0.00 0.00 174.62 172.39 1qe1 s PRO 387 N -0.69 3.96 -0.17 3.99 0.02 -1.26 -4.56 135.00 136.29 1qe1 s PRO 387 Ca 0.29 0.61 -0.26 0.00 0.02 0.00 0.00 61.00 61.66 1qe1 s PRO 387 Cb -0.18 -2.45 -0.01 0.00 0.02 0.00 0.00 34.50 31.88 1qe1 s PRO 387 CO 0.17 0.15 0.87 0.21 -0.33 0.00 0.00 177.00 178.07 1qe1 s LYS 388 N -3.05 4.31 0.20 5.54 2.20 0.93 -4.33 119.74 125.54 1qe1 s LYS 388 Ca 0.53 1.09 -0.11 0.00 -0.36 0.00 0.00 55.97 57.12 1qe1 s LYS 388 Cb -0.10 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.57 1qe1 s LYS 388 CO 0.19 -0.36 0.54 -0.06 -0.36 0.00 0.00 175.35 175.31 1qe1 s PHE 389 N 2.23 3.47 -0.43 4.03 0.40 0.11 -1.73 117.98 126.07 1qe1 s PHE 389 Ca 0.40 0.92 0.02 0.00 -0.60 0.00 0.00 56.93 57.66 1qe1 s PHE 389 Cb -0.17 -2.28 0.12 0.00 0.51 0.00 0.00 43.02 41.20 1qe1 s PHE 389 CO 0.12 0.32 0.18 0.15 0.70 0.00 0.00 175.22 176.69 1qe1 s LYS 390 N -2.57 1.84 -0.27 0.44 1.02 -0.27 -0.10 119.74 119.82 1qe1 s LYS 390 Ca 0.44 -2.13 -0.21 0.00 0.02 0.00 0.00 55.97 54.09 1qe1 s LYS 390 Cb -0.12 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1qe1 s LYS 390 CO 0.21 -1.04 0.67 -0.51 -0.92 0.00 0.00 175.35 173.76 1qe1 s LEU 391 N 0.54 4.09 -0.65 3.17 1.43 0.19 -3.75 118.68 123.70 1qe1 s LEU 391 Ca 0.13 0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 53.81 1qe1 s LEU 391 Cb -0.22 -2.90 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 1qe1 s LEU 391 CO -0.05 -0.44 1.82 -0.81 0.23 0.00 0.00 176.35 177.10 1qe1 n PRO 392 N 5.84 1.45 -3.49 1.29 -0.04 -1.26 -1.72 135.00 137.07 1qe1 n PRO 392 Ca 0.00 -1.29 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 1qe1 n PRO 392 Cb 0.49 -2.43 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 1qe1 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1qe1 s ILE 393 N 4.17 0.00 -0.06 0.52 2.07 -1.26 -4.97 121.20 121.67 1qe1 s ILE 393 Ca 0.35 -0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.39 1qe1 s ILE 393 Cb 0.09 -1.01 -0.05 0.00 0.13 0.00 0.00 42.46 41.63 1qe1 s ILE 393 CO 0.01 0.00 0.55 -1.10 -1.91 0.00 0.00 174.94 172.49 1qe1 s GLN 394 N -3.26 4.32 0.27 3.50 -0.21 -1.26 -4.07 119.66 118.95 1qe1 s GLN 394 Ca 0.04 0.61 0.00 0.00 0.02 0.00 0.00 55.36 56.03 1qe1 s GLN 394 Cb -0.01 -3.39 0.63 0.00 1.00 0.00 0.00 33.01 31.24 1qe1 s GLN 394 CO -0.10 0.25 1.39 1.17 -2.12 0.00 0.00 175.29 175.88 1qe1 n LYS 395 N 3.24 -0.07 -0.06 2.91 4.81 -1.26 -0.80 118.16 126.93 1qe1 n LYS 395 Ca -0.07 1.34 -0.08 0.00 -0.87 0.00 0.00 58.31 58.64 1qe1 n LYS 395 Cb 0.51 -2.11 0.09 0.00 0.02 0.00 0.00 35.03 33.55 1qe1 n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1qe1 h GLU 396 N 0.00 0.70 0.67 1.64 3.07 -1.98 -2.13 114.58 116.54 1qe1 h GLU 396 Ca 0.52 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1qe1 h GLU 396 Cb 1.03 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1qe1 h GLU 396 CO -0.85 0.92 -0.32 1.15 -1.40 0.00 0.00 179.01 178.51 1qe1 h THR 397 N 0.59 0.10 -1.00 1.13 2.02 -1.38 -3.09 112.91 111.28 1qe1 h THR 397 Ca 0.07 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 67.06 1qe1 h THR 397 Cb 0.82 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 1qe1 h THR 397 CO 0.07 0.01 0.63 -0.25 0.37 0.00 0.00 175.52 176.35 1qe1 h TRP 398 N -1.18 1.13 0.00 3.16 2.91 -1.59 -0.82 115.95 119.56 1qe1 h TRP 398 Ca -0.09 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1qe1 h TRP 398 Cb 0.71 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1qe1 h TRP 398 CO 0.00 0.43 0.00 0.39 -1.03 0.00 0.00 178.44 178.24 1qe1 n GLU 399 N -4.63 0.12 -0.57 2.65 1.02 -0.80 -2.32 120.64 116.11 1qe1 n GLU 399 Ca 0.19 0.45 0.10 0.00 -0.02 0.00 0.00 57.16 57.88 1qe1 n GLU 399 Cb 0.37 -1.78 0.35 0.00 -0.02 0.00 0.00 31.44 30.36 1qe1 n GLU 399 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qe1 n THR 400 N -2.01 1.69 0.00 2.62 -2.24 -0.31 -4.64 114.28 109.39 1qe1 n THR 400 Ca 0.01 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1qe1 n THR 400 Cb 0.14 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1qe1 n THR 400 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1qe1 n TRP 401 N 1.18 0.00 -0.30 4.78 7.02 -0.98 -4.97 117.44 124.16 1qe1 n TRP 401 Ca 0.25 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.65 1qe1 n TRP 401 Cb 0.84 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.66 1qe1 n TRP 401 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 1qe1 n TRP 402 N -0.76 -0.32 0.17 -5.99 4.27 -1.00 0.66 117.44 114.47 1qe1 n TRP 402 Ca 0.00 0.90 0.05 0.00 -3.89 0.00 0.00 57.50 54.56 1qe1 n TRP 402 Cb 0.00 -0.55 0.27 0.00 -1.36 0.00 0.00 31.31 29.66 1qe1 n TRP 402 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1qe1 n THR 403 N -4.64 0.44 1.53 -1.67 -2.24 -1.26 0.67 114.28 107.11 1qe1 n THR 403 Ca 0.01 0.75 0.15 0.00 -2.27 0.00 0.00 64.05 62.69 1qe1 n THR 403 Cb 0.19 -1.75 0.68 0.00 -2.10 0.00 0.00 70.33 67.35 1qe1 n THR 403 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qe1 n GLU 404 N -1.98 0.83 0.00 -0.78 -0.58 0.21 -3.93 120.64 114.41 1qe1 n GLU 404 Ca -0.01 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1qe1 n GLU 404 Cb 0.43 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1qe1 n GLU 404 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1qe1 n TYR 405 N -0.87 0.00 -2.68 -0.32 4.02 0.21 -5.07 117.16 112.46 1qe1 n TYR 405 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 1qe1 n TYR 405 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1qe1 n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1qe1 s TRP 406 N -0.02 3.55 -0.03 -0.72 -0.11 -0.84 -4.82 118.94 115.97 1qe1 s TRP 406 Ca 0.00 1.61 0.03 0.00 1.22 0.00 0.00 56.10 58.96 1qe1 s TRP 406 Cb 0.00 -3.18 -0.04 0.00 -1.50 0.00 0.00 33.47 28.75 1qe1 s TRP 406 CO 0.00 -0.23 0.02 0.00 -4.62 0.00 0.00 176.95 172.12 1qe1 n GLN 407 N 4.53 3.21 -0.65 5.86 -0.00 -1.26 -4.26 117.38 124.81 1qe1 n GLN 407 Ca 0.08 -0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.77 1qe1 n GLN 407 Cb 0.49 -1.08 0.19 0.00 -0.00 0.00 0.00 30.24 29.85 1qe1 n GLN 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qe1 s ALA 408 N -2.09 0.93 -2.31 2.61 0.00 -1.26 -4.57 121.76 115.07 1qe1 s ALA 408 Ca -0.01 0.40 0.25 0.00 0.00 0.00 0.00 51.96 52.60 1qe1 s ALA 408 Cb 0.01 -3.40 0.51 0.00 0.00 0.00 0.00 23.12 20.24 1qe1 s ALA 408 CO 0.13 -3.07 1.42 0.25 0.00 0.00 0.00 175.76 174.49 1qe1 n THR 409 N -4.43 0.00 -4.54 0.00 -2.24 -1.26 -4.92 114.28 96.89 1qe1 n THR 409 Ca 0.09 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 1qe1 n THR 409 Cb 0.53 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 1qe1 n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1qe1 s TRP 410 N -2.25 2.37 -0.11 4.78 -0.00 -1.26 -4.93 118.94 117.54 1qe1 s TRP 410 Ca 0.27 -0.53 -0.02 0.00 -0.00 0.00 0.00 56.10 55.82 1qe1 s TRP 410 Cb 0.20 -1.38 0.04 0.00 -0.00 0.00 0.00 33.47 32.33 1qe1 s TRP 410 CO 0.43 0.55 0.03 0.42 -0.00 0.00 0.00 176.95 178.38 1qe1 s ILE 411 N -2.65 0.30 0.78 0.66 1.01 -1.26 -5.06 121.20 114.98 1qe1 s ILE 411 Ca 0.32 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 1qe1 s ILE 411 Cb 0.03 -0.63 0.06 0.00 0.01 0.00 0.00 42.46 41.93 1qe1 s ILE 411 CO 0.16 0.06 1.14 -2.16 0.00 0.00 0.00 174.94 174.14 1qe1 s PRO 412 N 1.98 2.19 -0.12 2.79 0.04 -1.26 -4.88 135.00 135.74 1qe1 s PRO 412 Ca 0.03 0.31 -0.27 0.00 0.04 0.00 0.00 61.00 61.11 1qe1 s PRO 412 Cb -0.14 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1qe1 s PRO 412 CO -0.06 -1.48 0.90 -2.00 0.04 0.00 0.00 177.00 174.40 1qe1 s GLU 413 N -5.42 4.38 0.08 4.56 2.56 -1.26 -4.99 118.70 118.60 1qe1 s GLU 413 Ca 0.61 1.18 0.05 0.00 0.00 0.00 0.00 54.97 56.81 1qe1 s GLU 413 Cb -0.12 -3.54 -0.03 0.00 2.00 0.00 0.00 34.13 32.44 1qe1 s GLU 413 CO 0.51 -0.27 -0.13 1.67 -0.56 0.00 0.00 175.26 176.48 1qe1 s TRP 414 N 1.88 1.18 0.12 5.30 -2.14 -1.26 0.09 118.94 124.11 1qe1 s TRP 414 Ca 0.43 -0.49 0.08 0.00 2.66 0.00 0.00 56.10 58.78 1qe1 s TRP 414 Cb -0.18 -0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 29.50 1qe1 s TRP 414 CO 0.16 0.05 -0.19 -2.00 -2.66 0.00 0.00 176.95 172.32 1qe1 s GLU 415 N -1.89 1.12 -0.08 3.25 2.12 0.85 -4.91 118.70 119.16 1qe1 s GLU 415 Ca -0.01 -1.22 -0.01 0.00 0.36 0.00 0.00 54.97 54.10 1qe1 s GLU 415 Cb -0.09 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 1qe1 s GLU 415 CO 0.02 0.27 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.91 1qe1 s PHE 416 N -1.54 3.03 0.11 5.30 0.40 -1.26 0.54 117.98 124.56 1qe1 s PHE 416 Ca 0.08 0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1qe1 s PHE 416 Cb -0.08 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 1qe1 s PHE 416 CO 0.05 0.34 0.07 1.33 0.70 0.00 0.00 175.22 177.71 1qe1 n VAL 417 N 2.33 0.00 -3.83 -0.44 0.24 -0.70 -4.86 118.33 111.08 1qe1 n VAL 417 Ca -0.18 -0.76 -0.28 0.00 -2.04 0.00 0.00 64.34 61.08 1qe1 n VAL 417 Cb 0.53 0.34 -0.16 0.00 -1.47 0.00 0.00 33.84 33.08 1qe1 n VAL 417 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qe1 s ASN 418 N -1.75 3.04 0.01 -1.34 0.01 -1.26 -4.09 114.94 109.56 1qe1 s ASN 418 Ca 0.11 -0.82 -0.30 0.00 -0.71 0.00 0.00 52.86 51.13 1qe1 s ASN 418 Cb 0.01 -0.82 -0.05 0.00 0.41 0.00 0.00 41.25 40.80 1qe1 s ASN 418 CO 0.07 -0.25 1.29 -0.89 -1.51 0.00 0.00 177.10 175.82 1qe1 s THR 419 N 1.69 3.92 0.00 1.60 2.01 -1.26 -5.03 115.64 118.57 1qe1 s THR 419 Ca -0.01 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1qe1 s THR 419 Cb -0.17 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1qe1 s THR 419 CO -0.07 0.03 0.00 -2.65 -0.69 0.00 0.00 174.62 171.24 1qe1 n PRO 420 N 4.85 3.91 -0.70 4.92 -0.02 -1.26 -4.89 135.00 141.81 1qe1 n PRO 420 Ca 0.11 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 1qe1 n PRO 420 Cb 0.45 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.06 1qe1 n PRO 420 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qe1 n PRO 421 N 0.00 2.07 0.09 0.52 -0.04 -1.26 -4.45 135.00 131.93 1qe1 n PRO 421 Ca 0.00 -1.82 0.02 0.00 -0.04 0.00 0.00 63.50 61.66 1qe1 n PRO 421 Cb 0.00 -1.76 0.39 0.00 -0.04 0.00 0.00 33.50 32.10 1qe1 n PRO 421 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1qe1 h LEU 422 N 1.29 0.29 -0.71 1.53 3.38 -1.98 -2.89 115.31 116.21 1qe1 h LEU 422 Ca 0.31 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.37 1qe1 h LEU 422 Cb 1.98 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.55 1qe1 h LEU 422 CO 0.59 0.38 0.19 0.58 0.09 0.00 0.00 178.44 180.27 1qe1 h VAL 423 N 0.30 0.56 0.00 1.22 2.07 -1.91 -0.47 116.25 118.02 1qe1 h VAL 423 Ca 0.07 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1qe1 h VAL 423 Cb 0.29 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1qe1 h VAL 423 CO 0.01 0.05 -0.35 0.11 0.02 0.00 0.00 177.57 177.41 1qe1 h LYS 424 N 0.29 0.00 -0.03 1.57 6.56 -1.86 -3.06 116.57 120.04 1qe1 h LYS 424 Ca 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 1qe1 h LYS 424 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1qe1 h LYS 424 CO -0.47 0.35 0.00 1.47 -2.06 0.00 0.00 179.45 178.74 1qe1 n LEU 425 N -3.71 0.39 0.00 2.94 -0.00 -0.20 -4.27 117.00 112.16 1qe1 n LEU 425 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1qe1 n LEU 425 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1qe1 n LEU 425 CO 0.37 0.08 -0.42 0.79 -0.00 0.00 0.00 177.39 178.20 1qe1 n TRP 426 N -0.59 0.00 1.48 1.47 7.02 -1.11 -4.96 117.44 120.74 1qe1 n TRP 426 Ca 0.17 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.77 1qe1 n TRP 426 Cb 0.14 0.00 0.70 0.00 -2.42 0.00 0.00 31.31 29.74 1qe1 n TRP 426 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33