#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5a n GLY 21 N 0.00 -0.69 0.61 2.72 0.00 -1.26 -4.91 105.19 101.65 1f5a n GLY 21 Ca 0.00 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.51 1f5a n GLY 21 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1f5a n ILE 22 N -0.12 0.00 -4.26 -0.61 -5.35 -1.26 -4.89 119.36 102.87 1f5a n ILE 22 Ca 0.00 -0.32 -0.14 0.00 -0.27 0.00 0.00 62.75 62.02 1f5a n ILE 22 Cb 0.00 0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 38.63 1f5a n ILE 22 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1f5a s THR 23 N -2.07 0.75 0.55 7.28 -4.23 -1.26 -5.07 115.64 111.59 1f5a s THR 23 Ca 0.33 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 1f5a s THR 23 Cb 0.20 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 1f5a s THR 23 CO 0.35 -0.44 1.07 -0.94 -0.54 0.00 0.00 174.62 174.13 1f5a s SER 24 N -3.20 5.88 0.91 3.99 1.04 -1.26 -4.77 113.70 116.30 1f5a s SER 24 Ca 0.25 1.96 -0.11 0.00 0.48 0.00 0.00 55.95 58.53 1f5a s SER 24 Cb 0.06 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.76 1f5a s SER 24 CO 0.05 -1.10 1.10 -2.16 0.98 0.00 0.00 173.24 172.11 1f5a s PRO 25 N -3.60 1.09 0.16 4.02 0.04 -1.26 -4.93 135.00 130.51 1f5a s PRO 25 Ca 0.67 1.14 0.09 0.00 0.04 0.00 0.00 61.00 62.94 1f5a s PRO 25 Cb -0.18 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 1f5a s PRO 25 CO 0.29 -2.45 1.32 0.82 0.04 0.00 0.00 177.00 177.03 1f5a h ILE 26 N -1.72 1.50 -1.88 0.56 2.04 -1.60 -3.47 117.51 112.94 1f5a h ILE 26 Ca -0.48 -3.11 -0.01 0.00 1.00 0.00 0.00 64.86 62.27 1f5a h ILE 26 Cb 1.27 2.74 -0.23 0.00 -0.74 0.00 0.00 36.82 39.87 1f5a h ILE 26 CO 0.49 0.85 0.21 -0.55 0.00 0.00 0.00 178.15 179.16 1f5a s SER 27 N -6.65 -0.68 0.00 1.72 0.15 -1.18 -5.04 113.70 102.03 1f5a s SER 27 Ca 0.02 1.29 0.22 0.00 0.70 0.00 0.00 55.95 58.17 1f5a s SER 27 Cb 0.09 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1f5a s SER 27 CO 0.80 -0.22 1.07 0.18 1.20 0.00 0.00 173.24 176.27 1f5a n LEU 28 N 2.69 2.04 -4.58 3.45 4.77 -1.26 -4.32 117.00 119.79 1f5a n LEU 28 Ca -0.14 -0.78 -0.44 0.00 -0.03 0.00 0.00 56.01 54.63 1f5a n LEU 28 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1f5a n LEU 28 CO 0.02 0.38 0.51 0.00 -1.33 0.00 0.00 177.39 176.97 1f5a n ALA 29 N 0.05 -0.33 -2.16 -1.18 0.00 -1.26 -4.56 120.51 111.07 1f5a n ALA 29 Ca 0.09 0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 1f5a n ALA 29 Cb 0.46 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 17.92 1f5a n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f5a s ALA 30 N -1.15 4.27 0.79 0.00 0.00 -1.26 -4.05 121.76 120.37 1f5a s ALA 30 Ca 0.60 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1f5a s ALA 30 Cb -0.66 -1.76 0.07 0.00 0.00 0.00 0.00 23.12 20.76 1f5a s ALA 30 CO 0.59 -0.30 1.09 -1.25 0.00 0.00 0.00 175.76 175.89 1f5a s PRO 31 N -4.39 2.09 0.37 0.00 0.04 -1.26 -4.97 135.00 126.87 1f5a s PRO 31 Ca 0.52 1.02 0.07 0.00 0.04 0.00 0.00 61.00 62.65 1f5a s PRO 31 Cb -0.10 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1f5a s PRO 31 CO 0.34 -1.72 0.36 0.15 0.04 0.00 0.00 177.00 176.17 1f5a s LYS 32 N -4.95 2.72 0.55 4.56 1.02 -1.26 -4.96 119.74 117.43 1f5a s LYS 32 Ca 0.61 -1.33 0.23 0.00 0.02 0.00 0.00 55.97 55.50 1f5a s LYS 32 Cb -0.17 -2.51 1.50 0.00 -0.52 0.00 0.00 37.83 36.13 1f5a s LYS 32 CO 0.56 -0.03 2.15 0.93 -0.92 0.00 0.00 175.35 178.04 1f5a h GLU 33 N 1.09 0.00 -0.49 1.68 5.08 -2.00 0.22 114.58 120.16 1f5a h GLU 33 Ca -0.43 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1f5a h GLU 33 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1f5a h GLU 33 CO 0.56 0.00 0.24 1.15 -1.00 0.00 0.00 179.01 179.96 1f5a h THR 34 N 0.00 0.94 -0.04 1.13 2.02 -2.00 -2.06 112.91 112.91 1f5a h THR 34 Ca 0.05 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 1f5a h THR 34 Cb 0.22 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1f5a h THR 34 CO -0.00 0.08 -0.46 0.44 0.37 0.00 0.00 175.52 175.95 1f5a h ASP 35 N 0.47 0.10 -0.27 4.18 3.32 -0.95 -2.28 116.42 120.98 1f5a h ASP 35 Ca 0.22 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1f5a h ASP 35 Cb 0.14 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1f5a h ASP 35 CO -0.16 0.55 0.16 0.00 -1.72 0.00 0.00 179.24 178.08 1f5a h LEU 37 N 0.35 0.86 -0.86 0.00 3.38 -1.32 -0.85 115.31 116.87 1f5a h LEU 37 Ca 0.10 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1f5a h LEU 37 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1f5a h LEU 37 CO -0.02 0.84 -0.24 -0.07 0.09 0.00 0.00 178.44 179.04 1f5a h LEU 38 N 0.89 0.59 -0.85 1.67 3.38 -0.95 -1.91 115.31 118.12 1f5a h LEU 38 Ca 0.19 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1f5a h LEU 38 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1f5a h LEU 38 CO -0.00 0.82 -0.29 0.74 0.09 0.00 0.00 178.44 179.79 1f5a h THR 39 N 0.52 1.28 -0.14 0.22 2.02 0.15 -2.00 112.91 114.95 1f5a h THR 39 Ca 0.08 -1.36 -0.14 0.00 0.77 0.00 0.00 66.41 65.75 1f5a h THR 39 Cb 0.68 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1f5a h THR 39 CO 0.05 0.43 -0.52 -0.61 0.37 0.00 0.00 175.52 175.24 1f5a h GLN 40 N 0.44 0.40 -0.47 6.66 5.75 -0.85 -2.21 115.11 124.84 1f5a h GLN 40 Ca 0.06 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.20 1f5a h GLN 40 Cb 0.74 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1f5a h GLN 40 CO 0.06 0.83 -0.18 0.87 -2.65 0.00 0.00 178.83 177.75 1f5a h LYS 41 N 0.31 0.94 0.03 1.69 1.57 -1.10 -1.88 116.57 118.13 1f5a h LYS 41 Ca 0.01 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1f5a h LYS 41 Cb 1.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1f5a h LYS 41 CO 0.09 1.06 -0.14 1.25 -0.57 0.00 0.00 179.45 181.14 1f5a h LEU 42 N 0.79 -0.39 -0.82 2.94 7.12 -1.24 0.12 115.31 123.83 1f5a h LEU 42 Ca 0.11 0.05 0.15 0.00 0.13 0.00 0.00 57.88 58.33 1f5a h LEU 42 Cb 0.75 0.16 -0.10 0.00 -0.53 0.00 0.00 40.66 40.94 1f5a h LEU 42 CO 0.06 -0.20 0.39 0.58 -0.13 0.00 0.00 178.44 179.15 1f5a h VAL 43 N -0.24 0.68 -0.06 1.05 2.07 -1.21 -2.10 116.25 116.44 1f5a h VAL 43 Ca 0.04 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1f5a h VAL 43 Cb 0.29 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1f5a h VAL 43 CO -0.12 0.10 -0.55 -0.33 0.02 0.00 0.00 177.57 176.69 1f5a h GLU 44 N 0.55 0.17 0.00 1.57 5.08 -0.45 -2.68 114.58 118.82 1f5a h GLU 44 Ca 0.46 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1f5a h GLU 44 Cb 0.69 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1f5a h GLU 44 CO -0.39 0.68 0.00 0.25 -1.00 0.00 0.00 179.01 178.55 1f5a n THR 45 N -3.90 0.27 0.09 1.13 -2.24 -0.07 -3.64 114.28 105.92 1f5a n THR 45 Ca -0.02 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 1f5a n THR 45 Cb 0.58 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 68.07 1f5a n THR 45 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1f5a h LEU 46 N 0.00 0.69 -0.72 3.22 3.38 -1.11 -3.39 115.31 117.37 1f5a h LEU 46 Ca 0.00 -0.94 0.11 0.00 0.09 0.00 0.00 57.88 57.15 1f5a h LEU 46 Cb 0.55 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 1f5a h LEU 46 CO 0.00 1.77 -0.40 0.11 0.09 0.00 0.00 178.44 180.01 1f5a h LYS 47 N 0.12 -0.13 -1.07 1.13 1.57 -1.58 0.44 116.57 117.05 1f5a h LYS 47 Ca -0.32 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 58.78 1f5a h LYS 47 Cb 2.12 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 34.42 1f5a h LYS 47 CO 0.21 -0.09 0.81 -1.35 -0.57 0.00 0.00 179.45 178.46 1f5a h PRO 48 N -0.13 0.00 -0.02 3.15 0.11 -1.78 0.67 132.00 134.00 1f5a h PRO 48 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1f5a h PRO 48 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1f5a h PRO 48 CO -0.78 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.20 1f5a n PHE 49 N -4.08 0.02 -1.37 0.65 3.01 0.14 -4.88 117.46 110.95 1f5a n PHE 49 Ca 0.23 -0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.55 1f5a n PHE 49 Cb 1.17 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.58 1f5a n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f5a n GLY 50 N 0.89 1.34 0.29 1.37 0.00 0.23 -4.88 105.19 104.44 1f5a n GLY 50 Ca 0.17 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1f5a n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1f5a h VAL 51 N 0.00 1.04 -3.51 1.61 2.07 -1.70 -3.40 116.25 112.37 1f5a h VAL 51 Ca -0.26 -0.10 -0.61 0.00 0.82 0.00 0.00 66.70 66.55 1f5a h VAL 51 Cb 0.86 0.71 -0.12 0.00 -1.52 0.00 0.00 31.29 31.22 1f5a h VAL 51 CO 0.38 0.06 -0.26 -0.36 0.02 0.00 0.00 177.57 177.41 1f5a s PHE 52 N -5.30 3.35 0.53 1.57 0.08 -1.26 -4.90 117.98 112.05 1f5a s PHE 52 Ca -0.07 0.53 -0.20 0.00 0.12 0.00 0.00 56.93 57.31 1f5a s PHE 52 Cb 0.17 -2.48 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 1f5a s PHE 52 CO 0.71 -0.01 1.16 -2.00 -0.10 0.00 0.00 175.22 174.97 1f5a s GLU 53 N 1.31 3.39 0.30 0.44 2.12 -1.26 -4.96 118.70 120.03 1f5a s GLU 53 Ca 0.17 1.70 -0.29 0.00 0.36 0.00 0.00 54.97 56.90 1f5a s GLU 53 Cb -0.15 -2.09 -0.10 0.00 0.26 0.00 0.00 34.13 32.05 1f5a s GLU 53 CO 0.07 -0.84 1.17 -2.00 -0.54 0.00 0.00 175.26 173.12 1f5a s GLU 54 N -3.14 4.54 0.30 4.30 2.56 -1.26 -4.89 118.70 121.11 1f5a s GLU 54 Ca 0.71 1.95 0.02 0.00 0.00 0.00 0.00 54.97 57.65 1f5a s GLU 54 Cb -0.26 -3.15 0.56 0.00 2.00 0.00 0.00 34.13 33.28 1f5a s GLU 54 CO 0.30 0.07 1.90 0.93 -0.56 0.00 0.00 175.26 177.90 1f5a h GLU 55 N 3.66 0.96 -0.57 4.30 4.39 -1.99 -0.58 114.58 124.75 1f5a h GLU 55 Ca -0.47 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.19 1f5a h GLU 55 Cb 1.22 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1f5a h GLU 55 CO 0.66 0.64 0.35 0.93 -1.16 0.00 0.00 179.01 180.43 1f5a h GLU 56 N 0.99 0.68 -0.57 2.33 5.08 -1.99 -0.05 114.58 121.06 1f5a h GLU 56 Ca 0.41 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 1f5a h GLU 56 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1f5a h GLU 56 CO -0.17 0.45 0.13 0.93 -1.00 0.00 0.00 179.01 179.35 1f5a h GLU 57 N 0.70 0.91 -0.83 2.33 4.39 -1.64 0.04 114.58 120.48 1f5a h GLU 57 Ca 0.23 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1f5a h GLU 57 Cb 0.00 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1f5a h GLU 57 CO -0.09 0.86 0.52 -0.07 -1.16 0.00 0.00 179.01 179.07 1f5a h LEU 58 N 0.82 0.97 -0.48 1.33 3.38 -0.56 0.20 115.31 120.97 1f5a h LEU 58 Ca 0.18 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1f5a h LEU 58 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1f5a h LEU 58 CO 0.00 0.73 -0.24 -0.61 0.09 0.00 0.00 178.44 178.41 1f5a h GLN 59 N 1.13 1.00 -0.63 1.13 4.15 -0.60 -1.35 115.11 119.94 1f5a h GLN 59 Ca 0.30 -0.44 -0.09 0.00 0.77 0.00 0.00 58.65 59.19 1f5a h GLN 59 Cb -0.09 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1f5a h GLN 59 CO -0.06 1.12 0.03 -0.09 -1.93 0.00 0.00 178.83 177.90 1f5a h ARG 60 N 0.85 1.09 -0.43 1.69 2.43 -0.11 -1.83 114.38 118.07 1f5a h ARG 60 Ca 0.10 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1f5a h ARG 60 Cb 0.83 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1f5a h ARG 60 CO 0.07 1.04 0.06 0.00 -1.51 0.00 0.00 179.97 179.63 1f5a h ARG 61 N 1.00 0.72 -0.90 0.20 3.08 -0.46 -1.94 114.38 116.09 1f5a h ARG 61 Ca 0.18 -0.20 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1f5a h ARG 61 Cb 0.52 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1f5a h ARG 61 CO 0.03 0.76 0.56 0.82 -1.07 0.00 0.00 179.97 181.06 1f5a h ILE 62 N 0.58 1.00 0.00 2.04 1.08 -0.99 -0.08 117.51 121.14 1f5a h ILE 62 Ca 0.13 -0.33 -0.12 0.00 -0.39 0.00 0.00 64.86 64.15 1f5a h ILE 62 Cb 0.39 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 1f5a h ILE 62 CO 0.01 0.18 -0.57 -0.07 -0.69 0.00 0.00 178.15 177.01 1f5a h LEU 63 N 0.97 0.00 -0.11 1.44 3.38 -1.15 -2.30 115.31 117.54 1f5a h LEU 63 Ca 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 1f5a h LEU 63 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1f5a h LEU 63 CO -0.20 0.57 -0.34 0.40 0.09 0.00 0.00 178.44 178.95 1f5a h ILE 64 N 0.00 1.38 -0.87 1.22 2.04 -0.50 -2.55 117.51 118.23 1f5a h ILE 64 Ca -0.01 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.21 1f5a h ILE 64 Cb 1.09 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.28 1f5a h ILE 64 CO 0.07 0.49 0.57 -0.07 0.00 0.00 0.00 178.15 179.21 1f5a h LEU 65 N -0.00 0.96 -0.29 1.44 3.38 -0.98 -1.06 115.31 118.76 1f5a h LEU 65 Ca -0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1f5a h LEU 65 Cb 0.96 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1f5a h LEU 65 CO 0.07 0.68 0.11 1.23 0.09 0.00 0.00 178.44 180.63 1f5a h GLY 66 N 1.13 0.37 0.69 0.83 0.00 -1.39 0.13 103.07 104.83 1f5a h GLY 66 Ca 0.33 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.64 1f5a h GLY 66 CO -0.09 0.04 0.18 0.50 0.00 0.00 0.00 176.54 177.17 1f5a h LYS 67 N 0.25 0.36 -0.30 4.80 1.57 -0.97 -0.87 116.57 121.40 1f5a h LYS 67 Ca 0.13 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1f5a h LYS 67 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1f5a h LYS 67 CO -0.12 0.24 0.10 -0.07 -0.57 0.00 0.00 179.45 179.03 1f5a h LEU 68 N 0.37 0.11 -1.12 2.94 3.38 -0.45 -0.20 115.31 120.35 1f5a h LEU 68 Ca 0.19 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1f5a h LEU 68 Cb 0.15 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1f5a h LEU 68 CO -0.17 0.10 0.60 -1.13 0.09 0.00 0.00 178.44 177.93 1f5a h ASN 69 N 0.24 0.95 0.19 -0.43 -0.00 -0.37 0.98 115.58 117.14 1f5a h ASN 69 Ca 0.13 -0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.31 1f5a h ASN 69 Cb 0.10 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.20 1f5a h ASN 69 CO -0.14 0.63 -0.47 0.78 -0.00 0.00 0.00 177.43 178.23 1f5a h ASN 70 N 1.09 0.36 -0.07 1.15 2.35 -0.41 -1.18 115.58 118.86 1f5a h ASN 70 Ca 0.38 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1f5a h ASN 70 Cb 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1f5a h ASN 70 CO -0.13 0.78 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.13 1f5a h LEU 71 N 0.27 0.48 -0.08 1.61 3.38 0.81 0.51 115.31 122.29 1f5a h LEU 71 Ca 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1f5a h LEU 71 Cb 0.93 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1f5a h LEU 71 CO 0.08 0.71 -0.06 0.58 0.09 0.00 0.00 178.44 179.84 1f5a h VAL 72 N 0.43 1.35 -0.46 1.22 2.07 -0.59 -1.26 116.25 119.00 1f5a h VAL 72 Ca 0.07 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1f5a h VAL 72 Cb 0.63 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1f5a h VAL 72 CO 0.05 0.32 0.28 0.11 0.02 0.00 0.00 177.57 178.34 1f5a h LYS 73 N -0.22 0.63 0.25 1.57 1.57 -1.01 -0.00 116.57 119.36 1f5a h LYS 73 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1f5a h LYS 73 Cb 0.54 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1f5a h LYS 73 CO 0.02 0.46 -0.38 1.49 -0.57 0.00 0.00 179.45 180.47 1f5a h GLU 74 N 0.62 -0.63 -0.49 3.15 4.81 -0.88 0.57 114.58 121.73 1f5a h GLU 74 Ca 0.17 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1f5a h GLU 74 Cb -0.01 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.42 1f5a h GLU 74 CO -0.03 -0.42 -0.39 2.35 -0.73 0.00 0.00 179.01 179.79 1f5a h TRP 75 N -0.66 -1.10 -0.70 0.92 7.01 -1.02 0.96 115.95 121.36 1f5a h TRP 75 Ca -0.03 0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.08 1f5a h TRP 75 Cb 0.60 0.55 -0.05 0.00 -2.10 0.00 0.00 29.16 28.17 1f5a h TRP 75 CO -0.29 -0.41 0.42 0.82 -2.79 0.00 0.00 178.44 176.19 1f5a h ILE 76 N -0.25 1.05 -0.09 2.65 2.04 -0.86 0.10 117.51 122.15 1f5a h ILE 76 Ca 0.18 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1f5a h ILE 76 Cb 0.56 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1f5a h ILE 76 CO -0.62 0.15 -0.19 -0.09 0.00 0.00 0.00 178.15 177.40 1f5a h ARG 77 N 0.81 -0.25 -0.14 2.37 2.43 0.49 0.26 114.38 120.35 1f5a h ARG 77 Ca 0.29 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 1f5a h ARG 77 Cb 0.09 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1f5a h ARG 77 CO -0.14 -0.17 -0.11 0.93 -1.51 0.00 0.00 179.97 178.98 1f5a h GLU 78 N -0.26 -0.11 -0.46 0.20 5.08 0.00 -0.85 114.58 118.17 1f5a h GLU 78 Ca 0.09 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1f5a h GLU 78 Cb 0.38 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1f5a h GLU 78 CO -0.24 -0.08 0.21 0.82 -1.00 0.00 0.00 179.01 178.72 1f5a h ILE 79 N -0.12 0.93 -0.68 3.13 5.03 -0.33 -1.70 117.51 123.77 1f5a h ILE 79 Ca 0.09 -0.14 0.14 0.00 -0.12 0.00 0.00 64.86 64.83 1f5a h ILE 79 Cb 0.25 0.47 -0.10 0.00 -3.03 0.00 0.00 36.82 34.41 1f5a h ILE 79 CO -0.22 0.08 0.12 0.28 -0.68 0.00 0.00 178.15 177.73 1f5a h SER 80 N 0.42 -0.06 -0.08 1.72 0.02 0.51 -1.55 113.55 114.53 1f5a h SER 80 Ca 0.21 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1f5a h SER 80 Cb 0.15 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1f5a h SER 80 CO -0.17 -0.05 0.02 -0.33 -1.14 0.00 0.00 176.83 175.17 1f5a h GLU 81 N 0.23 0.13 -0.01 3.45 5.08 -0.46 -2.61 114.58 120.40 1f5a h GLU 81 Ca 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1f5a h GLU 81 Cb 0.61 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1f5a h GLU 81 CO -0.49 0.32 0.10 0.66 -1.00 0.00 0.00 179.01 178.59 1f5a h SER 82 N -0.08 0.00 -0.30 1.42 4.64 -0.56 1.17 113.55 119.84 1f5a h SER 82 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1f5a h SER 82 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1f5a h SER 82 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1f5a n LYS 83 N -3.08 2.18 -3.06 4.77 4.76 -0.66 -4.96 118.16 118.11 1f5a n LYS 83 Ca -0.03 -1.78 -0.21 0.00 -2.87 0.00 0.00 58.31 53.43 1f5a n LYS 83 Cb 0.16 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1f5a n LYS 83 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1f5a n ASN 84 N 1.00 -4.64 -4.75 4.39 3.02 0.40 -4.97 115.26 109.71 1f5a n ASN 84 Ca 0.18 -0.25 -0.31 0.00 -0.03 0.00 0.00 54.58 54.17 1f5a n ASN 84 Cb 0.49 -3.81 0.11 0.00 -0.61 0.00 0.00 39.78 35.95 1f5a n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f5a s LEU 85 N -6.40 2.83 0.92 3.41 1.43 -1.09 -4.99 118.68 114.80 1f5a s LEU 85 Ca 0.29 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 1f5a s LEU 85 Cb -0.14 -4.38 0.14 0.00 0.03 0.00 0.00 46.19 41.84 1f5a s LEU 85 CO 0.35 -2.26 1.11 -2.16 0.23 0.00 0.00 176.35 173.63 1f5a s PRO 86 N -4.89 1.05 0.39 1.29 0.04 -1.26 -4.67 135.00 126.96 1f5a s PRO 86 Ca 0.62 1.23 0.26 0.00 0.04 0.00 0.00 61.00 63.15 1f5a s PRO 86 Cb -0.18 -1.75 0.73 0.00 0.04 0.00 0.00 34.50 33.34 1f5a s PRO 86 CO 0.56 -2.50 1.74 1.96 0.04 0.00 0.00 177.00 178.80 1f5a h GLN 87 N -1.76 0.00 0.00 4.56 1.08 -1.97 0.67 115.11 117.70 1f5a h GLN 87 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1f5a h GLN 87 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1f5a h GLN 87 CO 0.47 0.00 0.00 -1.13 -0.95 0.00 0.00 178.83 177.22 1f5a n SER 88 N -2.82 0.36 -0.04 1.46 3.41 -1.26 -2.51 113.62 112.21 1f5a n SER 88 Ca 0.03 0.57 -0.10 0.00 -0.26 0.00 0.00 58.87 59.11 1f5a n SER 88 Cb 0.43 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1f5a n SER 88 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1f5a n VAL 89 N -1.88 0.85 -0.35 -3.33 0.31 -0.94 -4.23 118.33 108.77 1f5a n VAL 89 Ca 0.04 -0.03 0.23 0.00 -0.01 0.00 0.00 64.34 64.57 1f5a n VAL 89 Cb 0.27 -1.73 0.47 0.00 -0.91 0.00 0.00 33.84 31.94 1f5a n VAL 89 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1f5a h ILE 90 N -0.42 0.42 0.00 2.52 2.04 0.27 1.15 117.51 123.50 1f5a h ILE 90 Ca -0.21 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.35 1f5a h ILE 90 Cb 1.01 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1f5a h ILE 90 CO -0.13 0.07 -0.76 -0.33 0.00 0.00 0.00 178.15 177.01 1f5a h GLU 91 N 0.41 0.00 -0.01 2.37 5.08 -1.72 -3.31 114.58 117.39 1f5a h GLU 91 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1f5a h GLU 91 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1f5a h GLU 91 CO -0.46 0.76 -0.63 0.09 -1.00 0.00 0.00 179.01 177.77 1f5a n ASN 92 N -3.35 1.74 -4.76 1.42 3.02 0.13 -4.93 115.26 108.54 1f5a n ASN 92 Ca 0.01 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.77 1f5a n ASN 92 Cb 0.82 0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 40.60 1f5a n ASN 92 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f5a s VAL 93 N -2.63 2.30 0.00 2.41 1.01 0.35 -4.64 120.40 119.20 1f5a s VAL 93 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1f5a s VAL 93 Cb 0.17 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1f5a s VAL 93 CO 0.66 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1f5a n GLY 94 N 1.64 0.67 0.00 4.51 0.00 -1.25 -4.84 105.19 105.92 1f5a n GLY 94 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1f5a n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f5a n GLY 95 N 5.00 3.76 3.48 -0.02 0.00 -1.25 -4.78 105.19 111.38 1f5a n GLY 95 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1f5a n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f5a s LYS 96 N -5.39 0.99 -0.14 1.61 2.20 -0.93 -4.62 119.74 113.47 1f5a s LYS 96 Ca 0.00 0.22 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 1f5a s LYS 96 Cb 0.00 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1f5a s LYS 96 CO 0.00 -0.30 0.12 -1.50 -0.36 0.00 0.00 175.35 173.31 1f5a s ILE 97 N -1.15 5.29 -0.12 5.43 2.07 -1.26 -0.57 121.20 130.89 1f5a s ILE 97 Ca -0.11 0.13 0.03 0.00 -1.41 0.00 0.00 60.65 59.29 1f5a s ILE 97 Cb -0.01 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 39.25 1f5a s ILE 97 CO 0.09 0.57 -0.21 -0.36 -1.91 0.00 0.00 174.94 173.11 1f5a s PHE 98 N -0.59 2.65 0.16 3.50 0.40 0.17 -4.93 117.98 119.33 1f5a s PHE 98 Ca 0.12 -1.08 -0.12 0.00 -0.60 0.00 0.00 56.93 55.25 1f5a s PHE 98 Cb -0.12 -1.78 -0.07 0.00 0.51 0.00 0.00 43.02 41.57 1f5a s PHE 98 CO 0.02 -0.46 0.51 0.95 0.70 0.00 0.00 175.22 176.95 1f5a s THR 99 N 0.54 4.94 0.11 0.64 -4.23 -1.26 0.91 115.64 117.28 1f5a s THR 99 Ca -0.13 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1f5a s THR 99 Cb -0.17 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1f5a s THR 99 CO 0.04 0.14 0.11 2.22 -0.54 0.00 0.00 174.62 176.59 1f5a n PHE 100 N 0.49 -0.36 -4.57 3.99 -1.74 -0.88 -4.78 117.46 109.61 1f5a n PHE 100 Ca -0.04 -0.89 0.00 0.00 -0.56 0.00 0.00 57.45 55.96 1f5a n PHE 100 Cb 0.52 0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.63 1f5a n PHE 100 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1f5a n GLY 101 N -0.20 0.28 0.18 4.97 0.00 -1.26 -3.66 105.19 105.50 1f5a n GLY 101 Ca 0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1f5a n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f5a h SER 102 N 6.39 0.08 -0.34 1.61 0.02 -1.96 -1.19 113.55 118.16 1f5a h SER 102 Ca 0.00 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1f5a h SER 102 Cb 0.00 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1f5a h SER 102 CO 0.00 0.08 0.20 0.22 -1.14 0.00 0.00 176.83 176.19 1f5a h TYR 103 N 0.27 0.46 -0.08 3.45 3.20 -1.88 -1.52 116.97 120.87 1f5a h TYR 103 Ca 0.21 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.91 1f5a h TYR 103 Cb 0.25 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1f5a h TYR 103 CO -0.19 0.32 -0.69 -0.09 -1.64 0.00 0.00 178.16 175.88 1f5a h ARG 104 N 0.49 0.37 0.00 1.82 9.65 -1.41 -2.86 114.38 122.43 1f5a h ARG 104 Ca 0.13 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1f5a h ARG 104 Cb 0.01 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1f5a h ARG 104 CO -0.02 0.92 0.00 1.28 2.80 0.00 0.00 179.97 184.95 1f5a n LEU 105 N -3.85 0.30 0.00 3.80 4.77 -0.53 -4.89 117.00 116.60 1f5a n LEU 105 Ca -0.04 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1f5a n LEU 105 Cb 0.68 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1f5a n LEU 105 CO 0.47 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1f5a n GLY 106 N 0.80 0.51 2.43 -0.72 0.00 -0.66 -4.87 105.19 102.68 1f5a n GLY 106 Ca 0.05 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1f5a n GLY 106 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1f5a n VAL 107 N -2.82 1.90 -1.71 1.61 0.24 -0.84 -5.04 118.33 111.68 1f5a n VAL 107 Ca 0.00 -3.60 -0.43 0.00 -2.04 0.00 0.00 64.34 58.27 1f5a n VAL 107 Cb 0.00 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 1f5a n VAL 107 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1f5a n HIS 108 N -0.64 2.60 -2.54 6.34 -0.00 -1.18 -4.81 115.22 115.00 1f5a n HIS 108 Ca 0.26 0.22 -0.43 0.00 0.46 0.00 0.00 57.72 58.22 1f5a n HIS 108 Cb 0.88 -2.59 -0.02 0.00 -0.12 0.00 0.00 29.99 28.14 1f5a n HIS 108 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1f5a s THR 109 N 0.54 4.11 -0.22 3.57 2.01 -1.26 -4.81 115.64 119.57 1f5a s THR 109 Ca 0.71 1.11 -0.37 0.00 0.31 0.00 0.00 61.69 63.45 1f5a s THR 109 Cb -0.56 -4.53 -0.13 0.00 0.01 0.00 0.00 72.50 67.28 1f5a s THR 109 CO 0.41 -1.00 1.87 0.29 -0.69 0.00 0.00 174.62 175.50 1f5a n LYS 110 N 7.99 1.56 0.00 4.92 5.02 -1.26 -0.16 118.16 136.23 1f5a n LYS 110 Ca 0.13 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1f5a n LYS 110 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1f5a n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f5a n GLY 111 N 4.63 2.40 3.91 0.72 0.00 -1.26 -5.10 105.19 110.49 1f5a n GLY 111 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1f5a n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f5a s ALA 112 N -2.18 3.40 1.06 4.61 0.00 0.78 -5.02 121.76 124.40 1f5a s ALA 112 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1f5a s ALA 112 Cb 0.00 -2.58 0.13 0.00 0.00 0.00 0.00 23.12 20.68 1f5a s ALA 112 CO 0.00 -0.40 0.63 -0.40 0.00 0.00 0.00 175.76 175.59 1f5a n ASP 113 N -2.29 -0.66 -4.11 0.00 5.68 -1.26 -4.77 116.55 109.14 1f5a n ASP 113 Ca 0.01 -1.07 -0.33 0.00 -0.50 0.00 0.00 54.79 52.90 1f5a n ASP 113 Cb 0.55 -0.52 -0.16 0.00 -1.14 0.00 0.00 41.12 39.86 1f5a n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1f5a s ILE 114 N -2.29 2.13 0.02 2.12 -1.09 0.51 -4.87 121.20 117.73 1f5a s ILE 114 Ca 0.38 -1.15 -0.22 0.00 -2.23 0.00 0.00 60.65 57.44 1f5a s ILE 114 Cb -0.02 -2.01 -0.06 0.00 -1.58 0.00 0.00 42.46 38.80 1f5a s ILE 114 CO 0.28 0.36 0.64 -1.81 -1.23 0.00 0.00 174.94 173.17 1f5a s ASP 115 N 1.24 7.05 -0.04 3.58 1.01 -1.26 -2.07 116.67 126.18 1f5a s ASP 115 Ca 0.01 1.25 -0.12 0.00 0.71 0.00 0.00 52.55 54.40 1f5a s ASP 115 Cb -0.15 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1f5a s ASP 115 CO -0.10 0.10 0.27 0.00 0.21 0.00 0.00 175.17 175.65 1f5a s ALA 116 N -0.29 -0.69 -0.17 5.23 0.00 -0.59 -2.07 121.76 123.20 1f5a s ALA 116 Ca 0.33 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 1f5a s ALA 116 Cb -0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1f5a s ALA 116 CO 0.19 -0.22 -0.06 -1.17 0.00 0.00 0.00 175.76 174.50 1f5a s LEU 117 N -0.95 3.06 -0.38 0.00 2.96 0.26 -0.62 118.68 123.01 1f5a s LEU 117 Ca -0.10 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 1f5a s LEU 117 Cb -0.05 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1f5a s LEU 117 CO 0.03 0.12 0.55 0.00 -1.32 0.00 0.00 176.35 175.72 1f5a s VAL 119 N 2.50 4.89 0.20 0.00 1.01 0.26 -1.76 120.40 127.50 1f5a s VAL 119 Ca 0.19 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1f5a s VAL 119 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1f5a s VAL 119 CO 0.15 0.18 -0.20 0.00 0.00 0.00 0.00 175.10 175.22 1f5a s ALA 120 N 1.68 2.32 1.04 5.51 0.00 -0.87 -2.18 121.76 129.26 1f5a s ALA 120 Ca 0.06 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 1f5a s ALA 120 Cb -0.16 -0.23 0.21 0.00 0.00 0.00 0.00 23.12 22.93 1f5a s ALA 120 CO 0.08 0.29 1.11 -1.25 0.00 0.00 0.00 175.76 175.99 1f5a s PRO 121 N -2.99 0.06 0.17 0.00 0.04 -1.26 -1.76 135.00 129.26 1f5a s PRO 121 Ca 0.21 0.26 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 1f5a s PRO 121 Cb -0.06 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.82 1f5a s PRO 121 CO 0.09 -2.92 1.56 -0.09 0.04 0.00 0.00 177.00 175.68 1f5a h ARG 122 N -2.02 -0.18 0.00 4.56 2.43 0.50 -2.57 114.38 117.10 1f5a h ARG 122 Ca -0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1f5a h ARG 122 Cb 1.32 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1f5a h ARG 122 CO 0.51 -0.12 0.00 -2.39 -1.51 0.00 0.00 179.97 176.46 1f5a n HIS 123 N -5.40 0.00 -4.04 2.20 1.44 -1.26 -4.50 115.22 103.66 1f5a n HIS 123 Ca 0.03 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.40 1f5a n HIS 123 Cb 0.35 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.31 1f5a n HIS 123 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1f5a s VAL 124 N -2.00 2.47 0.57 0.61 1.01 -0.97 -4.92 120.40 117.17 1f5a s VAL 124 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 1f5a s VAL 124 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1f5a s VAL 124 CO 0.00 0.38 0.88 -1.81 0.00 0.00 0.00 175.10 174.55 1f5a s ASP 125 N 1.31 5.71 0.35 3.32 1.01 -1.26 -4.83 116.67 122.28 1f5a s ASP 125 Ca 0.02 0.75 0.12 0.00 0.71 0.00 0.00 52.55 54.16 1f5a s ASP 125 Cb -0.15 -1.80 0.64 0.00 1.01 0.00 0.00 42.92 42.62 1f5a s ASP 125 CO -0.09 -0.98 1.78 0.03 0.21 0.00 0.00 175.17 176.13 1f5a h ARG 126 N -0.11 0.03 -0.38 8.23 3.08 -1.99 -1.72 114.38 121.51 1f5a h ARG 126 Ca -0.46 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1f5a h ARG 126 Cb 1.25 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1f5a h ARG 126 CO 0.61 0.43 0.16 0.66 -1.07 0.00 0.00 179.97 180.76 1f5a h SER 127 N 0.02 0.48 -0.61 7.04 4.64 -1.99 -1.75 113.55 121.38 1f5a h SER 127 Ca -0.00 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1f5a h SER 127 Cb 0.74 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1f5a h SER 127 CO 0.05 0.43 0.04 0.44 -0.87 0.00 0.00 176.83 176.93 1f5a h ASP 128 N 0.54 1.02 0.18 4.97 3.32 -1.69 -1.99 116.42 122.76 1f5a h ASP 128 Ca 0.13 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1f5a h ASP 128 Cb 0.10 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1f5a h ASP 128 CO -0.02 1.05 -0.31 0.15 -1.72 0.00 0.00 179.24 178.40 1f5a h PHE 129 N 0.95 -0.84 0.00 4.55 3.57 -1.20 -0.82 116.94 123.15 1f5a h PHE 129 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1f5a h PHE 129 Cb 0.50 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1f5a h PHE 129 CO 0.04 -0.42 0.00 1.19 -2.23 0.00 0.00 178.31 176.88 1f5a n PHE 130 N -5.42 0.00 0.00 0.41 3.72 -0.99 -1.80 117.46 113.39 1f5a n PHE 130 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1f5a n PHE 130 Cb 0.32 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1f5a n PHE 130 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1f5a n THR 131 N -1.06 0.00 -0.12 4.37 -2.24 -0.68 -4.64 114.28 109.92 1f5a n THR 131 Ca 0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1f5a n THR 131 Cb 0.11 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1f5a n THR 131 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1f5a h SER 132 N 0.00 0.43 -0.48 3.42 4.64 -1.41 -0.50 113.55 119.65 1f5a h SER 132 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1f5a h SER 132 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1f5a h SER 132 CO 0.00 0.31 0.07 0.15 -0.87 0.00 0.00 176.83 176.50 1f5a h PHE 133 N 0.52 0.85 -0.67 4.77 3.57 -1.53 -1.63 116.94 122.82 1f5a h PHE 133 Ca 0.15 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1f5a h PHE 133 Cb -0.05 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 1f5a h PHE 133 CO -0.05 0.79 0.39 -0.92 -2.23 0.00 0.00 178.31 176.28 1f5a h TYR 134 N 0.67 0.72 0.00 0.41 3.20 -1.15 -1.28 116.97 119.53 1f5a h TYR 134 Ca 0.14 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1f5a h TYR 134 Cb 0.40 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1f5a h TYR 134 CO 0.03 0.37 -0.30 -0.44 -1.64 0.00 0.00 178.16 176.17 1f5a h ASP 135 N 0.73 0.00 -0.09 -2.11 3.32 -0.88 -0.85 116.42 116.54 1f5a h ASP 135 Ca 0.29 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 1f5a h ASP 135 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1f5a h ASP 135 CO -0.16 0.30 -0.14 0.50 -1.72 0.00 0.00 179.24 178.02 1f5a h LYS 136 N 0.00 0.25 -0.27 3.56 3.64 -0.29 -3.00 116.57 120.46 1f5a h LYS 136 Ca -0.00 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1f5a h LYS 136 Cb 0.69 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1f5a h LYS 136 CO 0.04 0.73 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.80 1f5a h LEU 137 N -0.20 0.41 -0.87 5.20 3.38 -1.06 -2.61 115.31 119.56 1f5a h LEU 137 Ca 0.01 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1f5a h LEU 137 Cb 0.71 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1f5a h LEU 137 CO 0.03 0.53 0.49 0.50 0.09 0.00 0.00 178.44 180.09 1f5a h LYS 138 N 0.41 0.75 -1.11 1.13 3.64 -1.05 -2.63 116.57 117.72 1f5a h LYS 138 Ca 0.08 -0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.89 1f5a h LYS 138 Cb 0.39 -0.17 -0.25 0.00 -0.41 0.00 0.00 32.23 31.79 1f5a h LYS 138 CO 0.02 0.50 0.68 1.28 -2.27 0.00 0.00 179.45 179.66 1f5a n LEU 139 N -4.76 6.96 -4.34 5.20 4.77 -0.98 -4.90 117.00 118.95 1f5a n LEU 139 Ca 0.16 -3.76 -0.34 0.00 -0.03 0.00 0.00 56.01 52.04 1f5a n LEU 139 Cb 0.35 -0.93 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 1f5a n LEU 139 CO 0.25 1.26 -0.42 -1.10 -1.33 0.00 0.00 177.39 176.04 1f5a s GLN 140 N -3.08 3.37 0.30 3.23 -1.52 -0.99 -5.02 119.66 115.95 1f5a s GLN 140 Ca 0.52 -0.66 -0.01 0.00 -1.95 0.00 0.00 55.36 53.27 1f5a s GLN 140 Cb 0.42 -2.79 0.67 0.00 -0.22 0.00 0.00 33.01 31.09 1f5a s GLN 140 CO 0.02 0.03 1.58 0.93 -0.25 0.00 0.00 175.29 177.60 1f5a h GLU 141 N 7.33 0.02 0.00 2.91 4.39 -1.90 0.71 114.58 128.04 1f5a h GLU 141 Ca -0.34 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1f5a h GLU 141 Cb 1.19 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1f5a h GLU 141 CO 0.59 0.01 0.00 0.93 -1.16 0.00 0.00 179.01 179.38 1f5a h GLU 142 N 0.02 0.00 -5.85 2.33 3.07 -1.94 -3.45 114.58 108.76 1f5a h GLU 142 Ca 0.56 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.83 1f5a h GLU 142 Cb 1.10 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.93 1f5a h GLU 142 CO -0.91 0.00 0.44 0.08 -1.40 0.00 0.00 179.01 177.22 1f5a s VAL 143 N -3.27 4.86 -0.00 3.13 1.01 0.24 -0.58 120.40 125.78 1f5a s VAL 143 Ca 0.06 1.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 1f5a s VAL 143 Cb 0.10 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1f5a s VAL 143 CO 0.50 -0.03 0.02 -0.54 0.00 0.00 0.00 175.10 175.05 1f5a s LYS 144 N 2.56 0.16 -0.36 2.72 1.02 -0.56 -4.81 119.74 120.47 1f5a s LYS 144 Ca 0.36 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 56.13 1f5a s LYS 144 Cb -0.16 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 1f5a s LYS 144 CO 0.09 -0.03 0.26 -3.47 -0.92 0.00 0.00 175.35 171.29 1f5a n ASP 145 N 2.47 -3.01 -4.66 2.83 -0.08 -1.26 -1.08 116.55 111.76 1f5a n ASP 145 Ca -0.17 -0.12 -0.42 0.00 -1.51 0.00 0.00 54.79 52.57 1f5a n ASP 145 Cb 0.58 -1.65 -0.03 0.00 2.34 0.00 0.00 41.12 42.37 1f5a n ASP 145 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1f5a s LEU 146 N -2.46 4.27 -0.08 -2.67 0.20 -1.26 -4.21 118.68 112.47 1f5a s LEU 146 Ca 0.13 2.03 -0.03 0.00 0.69 0.00 0.00 54.13 56.95 1f5a s LEU 146 Cb -0.06 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.21 1f5a s LEU 146 CO 0.16 -0.85 0.17 0.00 -0.29 0.00 0.00 176.35 175.54 1f5a s ARG 147 N 3.73 0.12 0.02 1.98 1.70 -0.51 -5.03 118.95 120.96 1f5a s ARG 147 Ca 0.66 0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 56.28 1f5a s ARG 147 Cb -0.29 -0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 33.88 1f5a s ARG 147 CO 0.24 -0.17 0.26 0.00 -1.08 0.00 0.00 175.30 174.55 1f5a s ALA 148 N 1.22 3.87 -0.40 7.88 0.00 -1.26 -0.92 121.76 132.15 1f5a s ALA 148 Ca -0.09 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.35 1f5a s ALA 148 Cb -0.11 -2.03 0.30 0.00 0.00 0.00 0.00 23.12 21.28 1f5a s ALA 148 CO -0.07 0.68 0.64 0.28 0.00 0.00 0.00 175.76 177.29 1f5a n VAL 149 N 0.97 -0.20 1.98 0.00 0.31 -0.03 -4.95 118.33 116.41 1f5a n VAL 149 Ca -0.10 -4.38 0.08 0.00 -0.01 0.00 0.00 64.34 59.93 1f5a n VAL 149 Cb 0.53 -1.16 0.48 0.00 -0.91 0.00 0.00 33.84 32.78 1f5a n VAL 149 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1f5a n GLU 150 N 0.80 1.02 -0.23 5.55 0.28 -1.26 -2.46 120.64 124.34 1f5a n GLU 150 Ca 0.24 -0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.27 1f5a n GLU 150 Cb 0.58 -1.26 0.18 0.00 1.43 0.00 0.00 31.44 32.37 1f5a n GLU 150 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1f5a n GLU 151 N -0.73 2.90 -2.35 3.44 2.13 -1.26 -4.73 120.64 120.04 1f5a n GLU 151 Ca 0.12 -2.20 -0.24 0.00 0.66 0.00 0.00 57.16 55.50 1f5a n GLU 151 Cb 0.06 -1.38 0.06 0.00 0.27 0.00 0.00 31.44 30.45 1f5a n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1f5a s ALA 152 N -1.31 3.39 0.20 4.31 0.00 -1.20 -4.97 121.76 122.18 1f5a s ALA 152 Ca 0.27 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1f5a s ALA 152 Cb 0.16 -2.44 0.19 0.00 0.00 0.00 0.00 23.12 21.04 1f5a s ALA 152 CO 0.15 -1.11 1.59 0.35 0.00 0.00 0.00 175.76 176.75 1f5a h PHE 153 N -0.37 -0.73 -3.66 0.00 3.57 -1.95 -3.21 116.94 110.59 1f5a h PHE 153 Ca -0.44 0.07 -0.68 0.00 3.53 0.00 0.00 57.97 60.45 1f5a h PHE 153 Cb 1.31 0.42 -0.34 0.00 2.79 0.00 0.00 35.95 40.13 1f5a h PHE 153 CO 0.35 -0.36 -0.65 0.08 -2.23 0.00 0.00 178.31 175.50 1f5a s VAL 154 N -6.09 3.01 0.27 1.41 1.01 -1.26 -4.88 120.40 113.87 1f5a s VAL 154 Ca -0.14 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 59.81 1f5a s VAL 154 Cb 0.18 -2.90 -0.14 0.00 0.00 0.00 0.00 36.38 33.52 1f5a s VAL 154 CO 0.71 -0.37 1.21 -2.65 0.00 0.00 0.00 175.10 174.01 1f5a n PRO 155 N 4.57 1.70 -3.78 2.72 -0.02 -1.21 -4.97 135.00 134.01 1f5a n PRO 155 Ca -0.07 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1f5a n PRO 155 Cb 0.42 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 1f5a n PRO 155 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1f5a s VAL 156 N -0.67 0.05 -0.21 -1.45 0.11 -1.03 -4.29 120.40 112.92 1f5a s VAL 156 Ca 0.63 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 59.21 1f5a s VAL 156 Cb -0.68 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.63 1f5a s VAL 156 CO 0.57 -0.24 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.37 1f5a s ILE 157 N -1.11 2.88 0.08 7.04 1.01 -0.48 -0.85 121.20 129.77 1f5a s ILE 157 Ca -0.12 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1f5a s ILE 157 Cb -0.05 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1f5a s ILE 157 CO 0.03 0.41 0.11 -0.54 0.00 0.00 0.00 174.94 174.96 1f5a s LYS 158 N 1.39 3.02 -0.15 2.79 1.02 -0.10 -0.57 119.74 127.14 1f5a s LYS 158 Ca 0.04 -0.64 -0.32 0.00 0.02 0.00 0.00 55.97 55.07 1f5a s LYS 158 Cb -0.14 -2.80 0.13 0.00 -0.52 0.00 0.00 37.83 34.50 1f5a s LYS 158 CO -0.06 0.57 1.10 -0.48 -0.92 0.00 0.00 175.35 175.56 1f5a s LEU 159 N -2.46 -0.23 -0.40 3.17 -0.00 -0.39 -1.42 118.68 116.95 1f5a s LEU 159 Ca 0.31 0.07 -0.11 0.00 -0.00 0.00 0.00 54.13 54.41 1f5a s LEU 159 Cb -0.12 1.60 0.06 0.00 -0.00 0.00 0.00 46.19 47.73 1f5a s LEU 159 CO 0.23 -0.33 0.25 0.00 -0.00 0.00 0.00 176.35 176.50 1f5a s PHE 161 N 1.50 3.26 -1.29 0.00 2.19 0.13 -1.50 117.98 122.27 1f5a s PHE 161 Ca 0.02 -1.26 -0.07 0.00 0.33 0.00 0.00 56.93 55.96 1f5a s PHE 161 Cb -0.21 -3.69 0.01 0.00 -1.31 0.00 0.00 43.02 37.81 1f5a s PHE 161 CO 0.04 -0.99 1.11 -3.47 1.83 0.00 0.00 175.22 173.75 1f5a n ASP 162 N 5.23 -5.28 0.00 6.13 2.03 0.25 -2.18 116.55 122.73 1f5a n ASP 162 Ca -0.14 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1f5a n ASP 162 Cb 0.41 -4.94 0.00 0.00 -0.72 0.00 0.00 41.12 35.87 1f5a n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f5a n GLY 163 N -1.78 1.68 3.75 0.27 0.00 -1.26 -5.03 105.19 102.83 1f5a n GLY 163 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1f5a n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f5a s ILE 164 N -2.89 5.21 -0.14 -0.61 -1.09 -0.93 -5.07 121.20 115.69 1f5a s ILE 164 Ca 0.00 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.27 1f5a s ILE 164 Cb 0.00 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 1f5a s ILE 164 CO 0.00 0.51 0.83 -0.70 -1.23 0.00 0.00 174.94 174.35 1f5a s GLU 165 N -0.17 4.35 -0.01 2.79 2.12 -1.26 0.18 118.70 126.69 1f5a s GLU 165 Ca 0.09 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.50 1f5a s GLU 165 Cb -0.12 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 1f5a s GLU 165 CO 0.01 -0.24 -0.11 0.42 -0.54 0.00 0.00 175.26 174.80 1f5a s ILE 166 N 1.83 0.83 -0.13 -3.70 1.01 0.33 -0.36 121.20 121.00 1f5a s ILE 166 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 1f5a s ILE 166 Cb -0.17 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1f5a s ILE 166 CO 0.15 0.23 -0.12 -1.81 0.00 0.00 0.00 174.94 173.39 1f5a s ASP 167 N -0.26 4.07 -0.17 3.58 1.11 -0.88 -1.27 116.67 122.86 1f5a s ASP 167 Ca 0.04 -0.31 0.01 0.00 0.18 0.00 0.00 52.55 52.46 1f5a s ASP 167 Cb -0.04 -1.63 0.02 0.00 1.07 0.00 0.00 42.92 42.35 1f5a s ASP 167 CO -0.00 0.16 -0.16 -0.63 1.18 0.00 0.00 175.17 175.72 1f5a s ILE 168 N 0.37 1.77 0.21 0.77 1.01 0.26 -1.54 121.20 124.05 1f5a s ILE 168 Ca -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1f5a s ILE 168 Cb -0.16 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1f5a s ILE 168 CO 0.05 0.46 0.33 -0.76 0.00 0.00 0.00 174.94 175.03 1f5a s LEU 169 N 1.40 4.33 0.07 2.97 1.43 0.21 -1.38 118.68 127.71 1f5a s LEU 169 Ca 0.04 0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1f5a s LEU 169 Cb -0.13 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1f5a s LEU 169 CO -0.11 -0.03 -0.25 0.12 0.23 0.00 0.00 176.35 176.31 1f5a s PHE 170 N -1.90 2.15 -0.13 0.29 5.36 -1.26 0.35 117.98 122.84 1f5a s PHE 170 Ca 0.34 -0.40 -0.06 0.00 -0.96 0.00 0.00 56.93 55.86 1f5a s PHE 170 Cb -0.10 -1.24 0.06 0.00 -0.34 0.00 0.00 43.02 41.40 1f5a s PHE 170 CO 0.29 0.18 0.28 0.00 -1.46 0.00 0.00 175.22 174.51 1f5a s ALA 171 N -0.90 -0.65 -0.46 11.12 0.00 -0.72 -4.74 121.76 125.41 1f5a s ALA 171 Ca 0.11 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 1f5a s ALA 171 Cb -0.10 -0.89 0.10 0.00 0.00 0.00 0.00 23.12 22.23 1f5a s ALA 171 CO 0.03 -0.44 0.33 0.50 0.00 0.00 0.00 175.76 176.18 1f5a s ARG 172 N 1.88 2.66 0.49 0.00 3.52 -1.26 -2.04 118.95 124.21 1f5a s ARG 172 Ca -0.04 -1.56 -0.10 0.00 -0.13 0.00 0.00 55.73 53.90 1f5a s ARG 172 Cb -0.11 -3.93 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1f5a s ARG 172 CO -0.09 -1.08 0.86 -0.51 -0.81 0.00 0.00 175.30 173.67 1f5a s LEU 173 N 1.46 3.60 -1.40 -0.88 1.43 -0.72 -4.89 118.68 117.28 1f5a s LEU 173 Ca 0.04 1.19 -0.09 0.00 -1.03 0.00 0.00 54.13 54.24 1f5a s LEU 173 Cb -0.25 -4.14 0.08 0.00 0.03 0.00 0.00 46.19 41.91 1f5a s LEU 173 CO 0.02 -0.59 2.34 0.00 0.23 0.00 0.00 176.35 178.35 1f5a n ALA 174 N -1.96 6.37 -2.82 4.21 0.00 -1.26 -1.36 120.51 123.69 1f5a n ALA 174 Ca 0.03 -4.00 -0.14 0.00 0.00 0.00 0.00 53.44 49.33 1f5a n ALA 174 Cb 0.54 -3.08 -0.11 0.00 0.00 0.00 0.00 19.45 16.80 1f5a n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f5a s LEU 175 N -0.41 2.27 0.13 0.00 1.43 -1.26 -4.92 118.68 115.92 1f5a s LEU 175 Ca 0.52 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1f5a s LEU 175 Cb 0.15 -0.21 -0.07 0.00 0.03 0.00 0.00 46.19 46.10 1f5a s LEU 175 CO -0.06 -0.20 1.34 1.56 0.23 0.00 0.00 176.35 179.22 1f5a h GLN 176 N 4.41 0.51 -4.45 1.70 1.08 -1.96 0.11 115.11 116.50 1f5a h GLN 176 Ca -0.36 -0.48 -0.23 0.00 -1.45 0.00 0.00 58.65 56.13 1f5a h GLN 176 Cb 1.20 0.12 -0.19 0.00 -0.05 0.00 0.00 27.48 28.55 1f5a h GLN 176 CO 0.41 1.11 -0.72 0.95 -0.95 0.00 0.00 178.83 179.64 1f5a s THR 177 N -3.48 0.47 -0.55 -0.54 -4.23 -1.26 -4.66 115.64 101.38 1f5a s THR 177 Ca -0.07 -1.27 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 1f5a s THR 177 Cb 0.09 -0.82 0.13 0.00 1.34 0.00 0.00 72.50 73.24 1f5a s THR 177 CO 0.87 -0.55 0.51 -0.63 -0.54 0.00 0.00 174.62 174.29 1f5a s ILE 178 N -2.02 5.21 0.35 2.99 -1.09 -1.26 -4.79 121.20 120.59 1f5a s ILE 178 Ca -0.06 -1.56 -0.28 0.00 -2.23 0.00 0.00 60.65 56.52 1f5a s ILE 178 Cb -0.06 -4.34 -0.10 0.00 -1.58 0.00 0.00 42.46 36.38 1f5a s ILE 178 CO -0.02 -0.88 1.36 -2.16 -1.23 0.00 0.00 174.94 172.01 1f5a s PRO 179 N 1.51 4.26 0.35 2.79 0.04 -1.26 -3.91 135.00 138.78 1f5a s PRO 179 Ca 0.04 2.31 0.12 0.00 0.04 0.00 0.00 61.00 63.51 1f5a s PRO 179 Cb -0.29 -3.02 0.94 0.00 0.04 0.00 0.00 34.50 32.18 1f5a s PRO 179 CO 0.02 -0.31 1.76 0.93 0.04 0.00 0.00 177.00 179.45 1f5a h GLU 180 N 3.22 0.53 -0.16 4.56 4.39 -1.97 -0.41 114.58 124.75 1f5a h GLU 180 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1f5a h GLU 180 Cb 1.23 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1f5a h GLU 180 CO 0.65 0.35 0.00 -0.40 -1.16 0.00 0.00 179.01 178.45 1f5a n ASP 181 N -4.74 1.14 -4.54 1.42 5.68 -1.26 -4.95 116.55 109.30 1f5a n ASP 181 Ca 0.25 -1.78 -0.54 0.00 -0.50 0.00 0.00 54.79 52.22 1f5a n ASP 181 Cb 0.75 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.56 1f5a n ASP 181 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1f5a n LEU 182 N 0.03 0.73 -4.12 -2.12 0.00 -0.17 -4.93 117.00 106.43 1f5a n LEU 182 Ca 0.12 1.14 -0.34 0.00 0.00 0.00 0.00 56.01 56.93 1f5a n LEU 182 Cb 0.22 -1.07 -0.13 0.00 0.00 0.00 0.00 43.42 42.43 1f5a n LEU 182 CO 0.09 -1.59 -0.31 -0.62 0.00 0.00 0.00 177.39 174.96 1f5a s ASP 183 N 0.08 4.93 0.00 1.96 -1.08 -1.26 -4.99 116.67 116.31 1f5a s ASP 183 Ca 0.83 -1.66 0.11 0.00 -0.52 0.00 0.00 52.55 51.31 1f5a s ASP 183 Cb -1.06 -1.72 0.65 0.00 -1.46 0.00 0.00 42.92 39.33 1f5a s ASP 183 CO 0.53 -0.36 1.10 0.18 0.52 0.00 0.00 175.17 177.14 1f5a n LEU 184 N 4.53 0.00 0.19 -1.34 4.77 -1.26 -2.92 117.00 120.97 1f5a n LEU 184 Ca -0.07 0.01 0.07 0.00 -0.03 0.00 0.00 56.01 55.98 1f5a n LEU 184 Cb 0.42 -0.01 0.32 0.00 -2.33 0.00 0.00 43.42 41.83 1f5a n LEU 184 CO 0.27 -0.00 0.69 0.03 -1.33 0.00 0.00 177.39 177.04 1f5a h ARG 185 N 0.00 0.00 -5.85 3.23 3.08 -1.94 -3.45 114.38 109.45 1f5a h ARG 185 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1f5a h ARG 185 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1f5a h ARG 185 CO 0.00 0.34 1.49 -3.47 -1.07 0.00 0.00 179.97 177.26 1f5a n ASP 186 N -3.41 2.22 0.27 7.04 2.03 -1.15 -4.84 116.55 118.71 1f5a n ASP 186 Ca 0.00 0.21 0.18 0.00 0.52 0.00 0.00 54.79 55.71 1f5a n ASP 186 Cb 0.52 -1.34 0.97 0.00 -0.72 0.00 0.00 41.12 40.55 1f5a n ASP 186 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1f5a h ASP 187 N 13.98 0.00 0.93 1.67 3.32 -1.93 -1.50 116.42 132.88 1f5a h ASP 187 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1f5a h ASP 187 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1f5a h ASP 187 CO 1.06 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 179.35 1f5a h SER 188 N 0.00 0.00 0.66 6.45 4.64 -1.97 -3.02 113.55 120.32 1f5a h SER 188 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1f5a h SER 188 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1f5a h SER 188 CO 0.00 0.00 -0.32 -0.07 -0.87 0.00 0.00 176.83 175.57 1f5a h LEU 189 N 0.00 0.00 0.00 5.97 3.38 -1.65 -3.13 115.31 119.89 1f5a h LEU 189 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1f5a h LEU 189 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1f5a h LEU 189 CO 0.00 0.32 -0.32 -0.07 0.09 0.00 0.00 178.44 178.46 1f5a h LEU 190 N 0.00 0.00 -9.35 1.67 3.38 -1.73 -3.45 115.31 105.83 1f5a h LEU 190 Ca -0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1f5a h LEU 190 Cb 0.73 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.53 1f5a h LEU 190 CO 0.04 0.11 0.72 0.29 0.09 0.00 0.00 178.44 179.69 1f5a n LYS 191 N -3.04 1.69 0.00 1.13 5.02 -1.19 -1.92 118.16 119.86 1f5a n LYS 191 Ca 0.02 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1f5a n LYS 191 Cb 0.58 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1f5a n LYS 191 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1f5a n ASN 192 N 3.72 0.00 -4.71 4.39 3.02 -1.26 -4.99 115.26 115.43 1f5a n ASN 192 Ca 0.19 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 1f5a n ASN 192 Cb 0.24 -0.40 0.12 0.00 -0.61 0.00 0.00 39.78 39.13 1f5a n ASN 192 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f5a s LEU 193 N 0.00 3.09 0.46 3.41 1.43 -0.81 -4.99 118.68 121.28 1f5a s LEU 193 Ca 0.00 2.22 -0.22 0.00 -1.03 0.00 0.00 54.13 55.10 1f5a s LEU 193 Cb 0.00 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.57 1f5a s LEU 193 CO 0.00 -2.57 1.12 -0.62 0.23 0.00 0.00 176.35 174.51 1f5a s ASP 194 N -2.47 6.23 0.44 2.29 -1.08 -1.26 -4.83 116.67 115.99 1f5a s ASP 194 Ca 0.70 2.19 0.11 0.00 -0.52 0.00 0.00 52.55 55.03 1f5a s ASP 194 Cb -0.25 -2.59 1.00 0.00 -1.46 0.00 0.00 42.92 39.62 1f5a s ASP 194 CO 0.52 -0.87 2.05 0.16 0.52 0.00 0.00 175.17 177.55 1f5a h ILE 195 N 1.79 1.02 -0.65 4.11 -0.00 -1.98 0.02 117.51 121.82 1f5a h ILE 195 Ca -0.49 -0.14 -0.04 0.00 -0.00 0.00 0.00 64.86 64.19 1f5a h ILE 195 Cb 1.24 0.59 -0.03 0.00 -0.00 0.00 0.00 36.82 38.62 1f5a h ILE 195 CO 0.60 0.07 0.25 0.03 -0.00 0.00 0.00 178.15 179.11 1f5a h ARG 196 N 0.40 0.95 -0.21 0.16 3.08 -1.91 0.11 114.38 116.95 1f5a h ARG 196 Ca 0.16 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1f5a h ARG 196 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1f5a h ARG 196 CO -0.04 0.78 -0.22 0.00 -1.07 0.00 0.00 179.97 179.42 1f5a h ILE 198 N 0.19 1.07 -0.66 0.00 2.04 -0.65 -2.56 117.51 116.94 1f5a h ILE 198 Ca 0.03 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1f5a h ILE 198 Cb 0.77 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1f5a h ILE 198 CO 0.05 0.09 0.23 0.03 0.00 0.00 0.00 178.15 178.55 1f5a h ARG 199 N 0.49 1.00 0.00 2.37 3.08 -0.84 -1.99 114.38 118.50 1f5a h ARG 199 Ca 0.15 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1f5a h ARG 199 Cb -0.02 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1f5a h ARG 199 CO -0.05 0.84 0.00 0.43 -1.07 0.00 0.00 179.97 180.11 1f5a n SER 200 N -4.28 0.45 0.00 7.04 7.64 -0.99 -2.45 113.62 121.04 1f5a n SER 200 Ca 0.05 0.64 0.03 0.00 1.01 0.00 0.00 58.87 60.60 1f5a n SER 200 Cb 0.20 -0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 1f5a n SER 200 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f5a n LEU 201 N -2.03 0.42 -0.21 -3.43 4.77 -0.76 -4.53 117.00 111.22 1f5a n LEU 201 Ca 0.01 0.18 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1f5a n LEU 201 Cb 0.14 0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1f5a n LEU 201 CO 0.14 0.13 0.79 -1.13 -1.33 0.00 0.00 177.39 175.99 1f5a h ASN 202 N 0.00 -0.43 -0.09 -1.43 -1.24 -1.35 -2.23 115.58 108.81 1f5a h ASN 202 Ca -0.18 0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1f5a h ASN 202 Cb 1.48 0.34 -0.06 0.00 0.73 0.00 0.00 38.32 40.81 1f5a h ASN 202 CO 0.02 -0.17 -0.35 1.23 -1.29 0.00 0.00 177.43 176.87 1f5a h GLY 203 N 0.06 -0.55 0.85 1.57 0.00 -1.80 0.88 103.07 104.08 1f5a h GLY 203 Ca 0.32 0.43 0.02 0.00 0.00 0.00 0.00 47.33 48.11 1f5a h GLY 203 CO -0.60 -0.23 0.19 0.00 0.00 0.00 0.00 176.54 175.90 1f5a h ARG 205 N 0.39 0.72 0.17 0.00 3.08 -1.02 0.40 114.38 118.13 1f5a h ARG 205 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1f5a h ARG 205 Cb 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1f5a h ARG 205 CO -0.10 0.55 -0.08 0.28 -1.07 0.00 0.00 179.97 179.55 1f5a h VAL 206 N 0.70 0.84 -0.32 2.04 2.07 -0.61 0.11 116.25 121.08 1f5a h VAL 206 Ca 0.19 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.71 1f5a h VAL 206 Cb 0.02 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1f5a h VAL 206 CO -0.03 0.01 0.15 0.74 0.02 0.00 0.00 177.57 178.45 1f5a h THR 207 N -0.24 0.97 -0.28 2.57 2.02 -0.92 -1.03 112.91 116.00 1f5a h THR 207 Ca -0.02 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1f5a h THR 207 Cb 0.19 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1f5a h THR 207 CO 0.04 0.06 -0.13 -0.78 0.37 0.00 0.00 175.52 175.08 1f5a h ASP 208 N 0.31 0.46 0.61 4.18 3.58 -0.03 -2.07 116.42 123.46 1f5a h ASP 208 Ca 0.13 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1f5a h ASP 208 Cb 0.06 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.00 1f5a h ASP 208 CO -0.10 0.62 -0.29 -0.33 -2.88 0.00 0.00 179.24 176.25 1f5a h GLU 209 N 0.44 -0.79 -0.69 0.28 4.39 -0.24 -2.43 114.58 115.54 1f5a h GLU 209 Ca 0.08 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.97 1f5a h GLU 209 Cb 0.49 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 29.18 1f5a h GLU 209 CO 0.03 -0.49 -0.20 0.82 -1.16 0.00 0.00 179.01 178.01 1f5a h ILE 210 N -0.93 0.28 -0.50 3.13 2.04 -0.99 0.15 117.51 120.69 1f5a h ILE 210 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1f5a h ILE 210 Cb 0.66 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1f5a h ILE 210 CO 0.14 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.55 1f5a h LEU 211 N -0.03 0.54 -0.93 1.44 3.38 -1.26 -0.32 115.31 118.14 1f5a h LEU 211 Ca 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1f5a h LEU 211 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1f5a h LEU 211 CO -0.72 0.38 0.00 1.41 0.09 0.00 0.00 178.44 179.61 1f5a n HIS 212 N -4.47 0.08 -0.03 1.13 8.25 0.36 -3.89 115.22 116.67 1f5a n HIS 212 Ca 0.05 -0.04 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1f5a n HIS 212 Cb 0.09 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.38 1f5a n HIS 212 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1f5a n LEU 213 N 0.13 3.07 -4.33 2.41 4.77 -0.14 -4.95 117.00 117.96 1f5a n LEU 213 Ca 0.18 -1.75 -0.31 0.00 -0.03 0.00 0.00 56.01 54.10 1f5a n LEU 213 Cb 0.32 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 1f5a n LEU 213 CO 0.15 0.73 -0.57 0.54 -1.33 0.00 0.00 177.39 176.91 1f5a s VAL 214 N -1.08 2.11 0.35 4.08 0.11 -1.19 -4.79 120.40 120.00 1f5a s VAL 214 Ca 0.29 -1.20 0.10 0.00 -2.93 0.00 0.00 61.98 58.24 1f5a s VAL 214 Cb 0.16 -1.76 0.09 0.00 -1.53 0.00 0.00 36.38 33.34 1f5a s VAL 214 CO 0.22 0.50 1.81 1.55 -3.33 0.00 0.00 175.10 175.85 1f5a h PRO 215 N 5.24 0.12 -2.67 1.54 0.13 -1.89 -3.41 132.00 131.05 1f5a h PRO 215 Ca -0.44 -0.04 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1f5a h PRO 215 Cb 1.13 -0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.87 1f5a h PRO 215 CO 0.46 0.44 -0.73 1.21 -0.23 0.00 0.00 178.00 179.15 1f5a s ASN 216 N -6.91 2.71 0.16 1.44 3.84 -1.26 -5.04 114.94 109.89 1f5a s ASN 216 Ca -0.04 -0.94 -0.21 0.00 0.21 0.00 0.00 52.86 51.88 1f5a s ASN 216 Cb 0.14 -0.07 0.07 0.00 -0.55 0.00 0.00 41.25 40.85 1f5a s ASN 216 CO 0.74 -0.40 1.63 0.40 -2.79 0.00 0.00 177.10 176.68 1f5a h ILE 217 N 6.37 0.38 -0.25 -5.21 1.08 -1.91 -0.69 117.51 117.28 1f5a h ILE 217 Ca -0.17 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1f5a h ILE 217 Cb 1.06 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 1f5a h ILE 217 CO 0.38 0.00 -0.07 0.44 -0.69 0.00 0.00 178.15 178.20 1f5a h ASP 218 N -0.18 -0.26 -0.50 1.72 3.32 -1.99 0.48 116.42 119.01 1f5a h ASP 218 Ca 0.18 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1f5a h ASP 218 Cb 0.46 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1f5a h ASP 218 CO -0.46 -0.09 0.08 0.78 -1.72 0.00 0.00 179.24 177.82 1f5a h ASN 219 N -0.01 0.84 -0.05 6.45 2.35 -1.85 -2.14 115.58 121.16 1f5a h ASN 219 Ca 0.12 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1f5a h ASN 219 Cb 0.20 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1f5a h ASN 219 CO -0.27 0.86 0.03 0.15 -1.65 0.00 0.00 177.43 176.55 1f5a h PHE 220 N 0.84 0.07 0.01 1.19 3.57 -0.31 -2.42 116.94 119.88 1f5a h PHE 220 Ca 0.17 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1f5a h PHE 220 Cb 0.39 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1f5a h PHE 220 CO 0.02 0.11 -0.31 -0.09 -2.23 0.00 0.00 178.31 175.81 1f5a h ARG 221 N 0.02 -0.45 -0.92 1.11 2.43 0.31 0.04 114.38 116.91 1f5a h ARG 221 Ca 0.02 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1f5a h ARG 221 Cb 0.06 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1f5a h ARG 221 CO -0.00 -0.30 0.60 1.25 -1.51 0.00 0.00 179.97 180.01 1f5a h LEU 222 N -0.46 1.01 -0.13 3.80 5.85 -1.39 -1.34 115.31 122.64 1f5a h LEU 222 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1f5a h LEU 222 Cb 0.54 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1f5a h LEU 222 CO -0.25 0.70 0.05 0.74 -0.34 0.00 0.00 178.44 179.33 1f5a h THR 223 N 1.18 1.17 -0.61 1.05 2.02 -0.95 -2.45 112.91 114.32 1f5a h THR 223 Ca 0.36 -0.50 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1f5a h THR 223 Cb -0.02 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 1f5a h THR 223 CO -0.11 0.15 0.25 0.25 0.37 0.00 0.00 175.52 176.43 1f5a h LEU 224 N 0.04 0.29 -0.33 2.58 6.46 -0.64 0.45 115.31 124.16 1f5a h LEU 224 Ca 0.04 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1f5a h LEU 224 Cb 0.20 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 1f5a h LEU 224 CO -0.00 0.17 -0.18 0.03 -0.62 0.00 0.00 178.44 177.84 1f5a h ARG 225 N 0.45 -0.13 0.44 1.25 3.08 -0.99 0.12 114.38 118.61 1f5a h ARG 225 Ca 0.30 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1f5a h ARG 225 Cb 0.34 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1f5a h ARG 225 CO -0.28 -0.09 -0.21 0.00 -1.07 0.00 0.00 179.97 178.32 1f5a h ALA 226 N 1.09 -0.59 -0.74 0.04 0.00 -0.86 -2.47 119.26 115.72 1f5a h ALA 226 Ca 0.17 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1f5a h ALA 226 Cb 0.40 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1f5a h ALA 226 CO -0.42 -0.82 0.43 0.82 0.00 0.00 0.00 179.25 179.27 1f5a h ILE 227 N -0.62 1.00 -0.79 0.00 1.08 -0.58 -0.25 117.51 117.34 1f5a h ILE 227 Ca -0.06 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 1f5a h ILE 227 Cb 0.47 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 1f5a h ILE 227 CO 0.10 0.15 0.34 0.11 -0.69 0.00 0.00 178.15 178.15 1f5a h LYS 228 N 0.80 1.18 -0.09 2.37 1.57 -0.70 -0.24 116.57 121.45 1f5a h LYS 228 Ca 0.33 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1f5a h LYS 228 Cb 0.18 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1f5a h LYS 228 CO -0.18 0.94 0.02 1.25 -0.57 0.00 0.00 179.45 180.91 1f5a h LEU 229 N 1.15 0.13 -0.32 2.94 6.46 -0.96 -2.00 115.31 122.71 1f5a h LEU 229 Ca 0.27 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.87 1f5a h LEU 229 Cb 0.19 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 1f5a h LEU 229 CO -0.03 0.32 -0.11 -0.25 -0.62 0.00 0.00 178.44 177.75 1f5a h TRP 230 N -0.07 -0.26 -0.84 1.25 7.01 -0.67 0.18 115.95 122.55 1f5a h TRP 230 Ca 0.03 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1f5a h TRP 230 Cb 0.24 0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 1f5a h TRP 230 CO 0.00 -0.18 0.54 0.00 -2.79 0.00 0.00 178.44 176.02 1f5a h ALA 231 N 1.24 1.06 0.20 2.65 0.00 -0.99 -0.62 119.26 122.80 1f5a h ALA 231 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1f5a h ALA 231 Cb 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1f5a h ALA 231 CO -0.36 0.48 -0.09 0.87 0.00 0.00 0.00 179.25 180.15 1f5a h LYS 232 N 1.14 -0.25 0.00 0.00 1.57 -0.53 -1.55 116.57 116.95 1f5a h LYS 232 Ca 0.31 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1f5a h LYS 232 Cb -0.11 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1f5a h LYS 232 CO -0.06 -0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.78 1f5a h ARG 233 N -0.43 0.00 -0.55 3.15 2.47 -0.45 -1.90 114.38 116.66 1f5a h ARG 233 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1f5a h ARG 233 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1f5a h ARG 233 CO 0.04 0.00 0.00 0.72 0.56 0.00 0.00 179.97 181.29 1f5a n HIS 234 N -3.03 1.52 -3.50 3.04 8.25 -0.26 -4.43 115.22 116.80 1f5a n HIS 234 Ca -0.02 -0.68 -0.25 0.00 -0.26 0.00 0.00 57.72 56.51 1f5a n HIS 234 Cb 0.13 -0.32 0.05 0.00 1.12 0.00 0.00 29.99 30.96 1f5a n HIS 234 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1f5a n ASN 235 N 0.70 -5.73 -1.76 0.41 3.02 -0.72 -4.88 115.26 106.31 1f5a n ASN 235 Ca 0.25 -0.52 0.01 0.00 -0.03 0.00 0.00 54.58 54.29 1f5a n ASN 235 Cb 0.95 -4.57 0.06 0.00 -0.61 0.00 0.00 39.78 35.61 1f5a n ASN 235 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1f5a n ILE 236 N -4.71 0.89 -3.92 2.41 -5.35 -0.63 -4.53 119.36 103.51 1f5a n ILE 236 Ca -0.02 -2.13 -0.33 0.00 -0.27 0.00 0.00 62.75 60.01 1f5a n ILE 236 Cb 0.57 0.71 -0.14 0.00 -1.74 0.00 0.00 39.64 39.04 1f5a n ILE 236 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1f5a s TYR 237 N -1.81 3.68 0.00 4.28 6.14 -1.23 -3.67 117.35 124.73 1f5a s TYR 237 Ca 0.34 -2.80 0.00 0.00 0.64 0.00 0.00 57.07 55.25 1f5a s TYR 237 Cb 0.37 -3.04 0.00 0.00 0.42 0.00 0.00 41.96 39.71 1f5a s TYR 237 CO -0.10 -0.95 0.00 0.45 0.64 0.00 0.00 175.55 175.59 1f5a n SER 238 N 4.31 0.00 -0.05 4.32 2.88 0.49 -4.89 113.62 120.69 1f5a n SER 238 Ca 0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.41 1f5a n SER 238 Cb 0.41 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 1f5a n SER 238 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1f5a h ASN 239 N 0.00 0.60 -0.88 -3.46 -1.24 -1.74 -0.34 115.58 108.51 1f5a h ASN 239 Ca 0.00 -0.58 0.12 0.00 0.71 0.00 0.00 56.30 56.55 1f5a h ASN 239 Cb 0.00 -0.17 -0.08 0.00 0.73 0.00 0.00 38.32 38.79 1f5a h ASN 239 CO 0.00 1.07 0.51 0.40 -1.29 0.00 0.00 177.43 178.12 1f5a h ILE 240 N 0.16 0.85 -0.34 2.57 2.04 -1.94 -2.66 117.51 118.19 1f5a h ILE 240 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1f5a h ILE 240 Cb 0.99 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1f5a h ILE 240 CO 0.08 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.56 1f5a n LEU 241 N -4.75 1.90 0.00 1.44 4.77 -1.24 -4.86 117.00 114.27 1f5a n LEU 241 Ca 0.16 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1f5a n LEU 241 Cb 0.35 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1f5a n LEU 241 CO 0.25 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1f5a n GLY 242 N 1.02 0.41 0.00 -0.72 0.00 -1.00 -4.92 105.19 99.97 1f5a n GLY 242 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1f5a n GLY 242 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f5a n PHE 243 N -2.00 0.00 -4.13 1.61 3.72 -0.14 -3.96 117.46 112.56 1f5a n PHE 243 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1f5a n PHE 243 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 1f5a n PHE 243 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1f5a s LEU 244 N 0.00 3.50 0.00 4.37 1.02 -1.22 -4.27 118.68 122.09 1f5a s LEU 244 Ca 0.00 -0.20 0.07 0.00 0.02 0.00 0.00 54.13 54.02 1f5a s LEU 244 Cb 0.00 -2.20 0.07 0.00 0.02 0.00 0.00 46.19 44.07 1f5a s LEU 244 CO 0.00 0.14 0.55 0.61 0.02 0.00 0.00 176.35 177.67 1f5a n GLY 245 N 0.31 2.23 0.14 -3.19 0.00 -1.26 -0.38 105.19 103.05 1f5a n GLY 245 Ca -0.10 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 1f5a n GLY 245 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1f5a h GLY 246 N 0.23 0.19 0.93 -0.02 0.00 -1.99 -0.66 103.07 101.75 1f5a h GLY 246 Ca -0.24 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1f5a h GLY 246 CO 0.35 -0.12 0.44 -2.08 0.00 0.00 0.00 176.54 175.14 1f5a h VAL 247 N -0.02 1.13 -0.38 4.60 2.07 -1.98 0.13 116.25 121.81 1f5a h VAL 247 Ca 0.14 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1f5a h VAL 247 Cb 0.23 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1f5a h VAL 247 CO -0.31 0.16 0.16 0.28 0.02 0.00 0.00 177.57 177.89 1f5a h SER 248 N 0.88 0.51 -0.69 0.57 0.02 -1.81 -2.48 113.55 110.55 1f5a h SER 248 Ca 0.27 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1f5a h SER 248 Cb -0.04 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1f5a h SER 248 CO -0.08 0.52 0.23 -0.50 -1.14 0.00 0.00 176.83 175.85 1f5a h TRP 249 N 0.46 1.11 0.00 3.45 4.06 -0.69 -2.19 115.95 122.16 1f5a h TRP 249 Ca 0.13 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1f5a h TRP 249 Cb 0.16 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 27.99 1f5a h TRP 249 CO -0.01 0.87 0.00 0.00 -3.56 0.00 0.00 178.44 175.75 1f5a n ALA 250 N -2.45 1.38 0.00 1.49 0.00 0.42 -1.60 120.51 119.75 1f5a n ALA 250 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1f5a n ALA 250 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1f5a n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f5a n LEU 252 N 0.89 0.00 -0.28 0.00 4.77 -0.83 -0.89 117.00 120.67 1f5a n LEU 252 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1f5a n LEU 252 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1f5a n LEU 252 CO 0.00 0.00 1.03 0.58 -1.33 0.00 0.00 177.39 177.67 1f5a h VAL 253 N 0.00 1.26 -0.28 4.08 2.07 -1.58 -2.11 116.25 119.69 1f5a h VAL 253 Ca 0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1f5a h VAL 253 Cb 0.00 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1f5a h VAL 253 CO 0.00 0.33 0.15 0.00 0.02 0.00 0.00 177.57 178.07 1f5a h ALA 254 N 1.15 0.36 -0.85 1.67 0.00 -1.27 0.16 119.26 120.48 1f5a h ALA 254 Ca 0.25 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1f5a h ALA 254 Cb 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1f5a h ALA 254 CO -0.02 -0.12 0.56 -0.09 0.00 0.00 0.00 179.25 179.58 1f5a h ARG 255 N 0.34 1.02 -0.68 0.00 9.65 -1.78 0.11 114.38 123.04 1f5a h ARG 255 Ca 0.10 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1f5a h ARG 255 Cb 0.06 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 1f5a h ARG 255 CO -0.02 0.67 0.21 1.15 2.80 0.00 0.00 179.97 184.79 1f5a h THR 256 N 1.05 1.25 -0.39 0.20 2.02 -0.70 -2.39 112.91 113.95 1f5a h THR 256 Ca 0.34 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 1f5a h THR 256 Cb 0.04 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1f5a h THR 256 CO -0.10 0.33 -0.27 0.00 0.37 0.00 0.00 175.52 175.85 1f5a h GLN 258 N 0.67 0.86 0.00 0.00 4.20 -0.62 -2.05 115.11 118.17 1f5a h GLN 258 Ca 0.08 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1f5a h GLN 258 Cb 0.85 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1f5a h GLN 258 CO 0.07 0.57 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.21 1f5a h LEU 259 N 0.89 0.00 -5.97 1.46 3.38 -1.18 -3.35 115.31 110.53 1f5a h LEU 259 Ca 0.30 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.71 1f5a h LEU 259 Cb 0.08 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.43 1f5a h LEU 259 CO -0.09 0.52 -0.93 -1.22 0.09 0.00 0.00 178.44 176.81 1f5a n TYR 260 N -3.57 1.31 0.07 1.13 4.02 -0.85 -1.54 117.16 117.72 1f5a n TYR 260 Ca -0.00 -3.82 0.21 0.00 -0.01 0.00 0.00 57.90 54.28 1f5a n TYR 260 Cb 0.61 -0.43 0.72 0.00 -0.02 0.00 0.00 39.34 40.21 1f5a n TYR 260 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1f5a h PRO 261 N 3.76 0.00 -0.01 -0.72 0.13 -1.53 -2.29 132.00 131.33 1f5a h PRO 261 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1f5a h PRO 261 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1f5a h PRO 261 CO 0.61 0.00 -0.05 0.09 -0.23 0.00 0.00 178.00 178.42 1f5a n ASN 262 N -3.64 1.80 -4.83 1.44 3.02 -1.26 -4.65 115.26 107.13 1f5a n ASN 262 Ca 0.08 -1.40 -0.32 0.00 -0.03 0.00 0.00 54.58 52.92 1f5a n ASN 262 Cb 0.69 0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.98 1f5a n ASN 262 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f5a s ALA 263 N -1.06 2.89 0.29 5.41 0.00 -0.86 -4.10 121.76 124.32 1f5a s ALA 263 Ca 0.12 0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1f5a s ALA 263 Cb 0.09 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1f5a s ALA 263 CO 0.17 -0.77 0.19 0.96 0.00 0.00 0.00 175.76 176.31 1f5a s ILE 264 N -2.85 3.88 0.14 0.00 -4.36 -1.26 -4.89 121.20 111.86 1f5a s ILE 264 Ca 0.59 -1.51 -0.07 0.00 -0.26 0.00 0.00 60.65 59.41 1f5a s ILE 264 Cb -0.13 -3.21 0.20 0.00 1.25 0.00 0.00 42.46 40.58 1f5a s ILE 264 CO 0.45 -0.29 0.85 0.00 0.24 0.00 0.00 174.94 176.20 1f5a n ALA 265 N -1.19 0.05 -0.24 2.27 0.00 -1.26 -1.20 120.51 118.94 1f5a n ALA 265 Ca -0.05 0.58 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1f5a n ALA 265 Cb 0.59 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1f5a n ALA 265 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f5a h SER 266 N 0.00 -1.68 1.12 0.00 0.87 -1.89 0.36 113.55 112.33 1f5a h SER 266 Ca 0.23 0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.91 1f5a h SER 266 Cb 0.37 0.72 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1f5a h SER 266 CO -0.56 -0.26 -0.57 0.71 -0.53 0.00 0.00 176.83 175.62 1f5a h THR 267 N -0.16 1.09 -0.40 2.23 1.35 -1.51 -3.15 112.91 112.36 1f5a h THR 267 Ca 0.10 -2.23 -0.02 0.00 -0.55 0.00 0.00 66.41 63.71 1f5a h THR 267 Cb 0.41 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1f5a h THR 267 CO -0.64 0.56 0.19 -0.07 -0.25 0.00 0.00 175.52 175.30 1f5a h LEU 268 N 0.00 0.53 -0.72 3.87 3.38 -0.01 0.65 115.31 123.01 1f5a h LEU 268 Ca -0.01 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1f5a h LEU 268 Cb 1.29 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1f5a h LEU 268 CO 0.07 0.52 0.47 0.58 0.09 0.00 0.00 178.44 180.17 1f5a h VAL 269 N 0.51 1.15 -0.33 1.22 2.07 -0.37 0.67 116.25 121.17 1f5a h VAL 269 Ca 0.14 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1f5a h VAL 269 Cb 0.13 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1f5a h VAL 269 CO -0.02 0.17 -0.00 -0.74 0.02 0.00 0.00 177.57 177.00 1f5a h HIS 270 N 0.95 0.65 -0.33 1.57 -0.00 -1.41 -2.74 115.15 113.83 1f5a h HIS 270 Ca 0.27 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1f5a h HIS 270 Cb -0.06 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.16 1f5a h HIS 270 CO -0.03 0.71 0.01 0.87 -0.00 0.00 0.00 177.93 179.49 1f5a h LYS 271 N 0.40 0.50 -0.53 5.26 1.79 0.11 -2.00 116.57 122.09 1f5a h LYS 271 Ca 0.09 -0.10 0.10 0.00 -2.18 0.00 0.00 60.65 58.57 1f5a h LYS 271 Cb 0.45 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.94 1f5a h LYS 271 CO 0.02 0.52 -0.00 0.35 -1.08 0.00 0.00 179.45 179.26 1f5a h PHE 272 N 0.48 -0.03 -0.23 -1.35 3.57 0.62 0.11 116.94 120.11 1f5a h PHE 272 Ca 0.11 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.47 1f5a h PHE 272 Cb 0.30 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1f5a h PHE 272 CO 0.01 -0.13 -0.55 0.74 -2.23 0.00 0.00 178.31 176.16 1f5a h PHE 273 N 0.12 0.87 0.11 0.41 0.04 -1.27 -1.63 116.94 115.57 1f5a h PHE 273 Ca 0.27 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1f5a h PHE 273 Cb 0.41 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1f5a h PHE 273 CO -0.33 1.08 -0.05 1.25 -0.60 0.00 0.00 178.31 179.66 1f5a h LEU 274 N 0.53 -0.12 -0.36 1.54 6.46 -0.76 0.58 115.31 123.18 1f5a h LEU 274 Ca 0.01 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1f5a h LEU 274 Cb 1.12 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1f5a h LEU 274 CO 0.11 -0.02 0.13 0.58 -0.62 0.00 0.00 178.44 178.62 1f5a h VAL 275 N -0.21 1.20 0.00 1.05 2.07 -0.76 -3.17 116.25 116.42 1f5a h VAL 275 Ca -0.01 -0.63 -0.23 0.00 0.82 0.00 0.00 66.70 66.64 1f5a h VAL 275 Cb 0.17 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1f5a h VAL 275 CO 0.02 0.22 -1.49 -0.26 0.02 0.00 0.00 177.57 176.09 1f5a h PHE 276 N 0.44 0.00 0.00 1.57 0.04 -1.30 -2.83 116.94 114.86 1f5a h PHE 276 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1f5a h PHE 276 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1f5a h PHE 276 CO 0.00 0.80 0.00 0.66 -0.60 0.00 0.00 178.31 179.18 1f5a h SER 277 N 0.00 0.00 -0.24 2.17 4.64 -0.97 -1.30 113.55 117.85 1f5a h SER 277 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1f5a h SER 277 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1f5a h SER 277 CO 0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1f5a n LYS 278 N -3.06 2.84 -2.18 4.77 5.02 -1.20 -4.82 118.16 119.53 1f5a n LYS 278 Ca -0.02 -2.07 -0.41 0.00 -2.02 0.00 0.00 58.31 53.79 1f5a n LYS 278 Cb 0.11 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1f5a n LYS 278 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1f5a s TRP 279 N -1.34 3.21 -1.08 2.13 -0.11 -0.49 -4.94 118.94 116.32 1f5a s TRP 279 Ca 0.21 1.20 -0.18 0.00 1.22 0.00 0.00 56.10 58.55 1f5a s TRP 279 Cb 0.13 -3.64 0.12 0.00 -1.50 0.00 0.00 33.47 28.58 1f5a s TRP 279 CO 0.11 -2.00 1.36 -2.00 -4.62 0.00 0.00 176.95 169.80 1f5a s GLU 280 N -0.24 3.79 0.57 5.86 2.12 -1.26 -5.01 118.70 124.53 1f5a s GLU 280 Ca 0.57 -1.92 -0.16 0.00 0.36 0.00 0.00 54.97 53.81 1f5a s GLU 280 Cb -0.37 -5.12 -0.05 0.00 0.26 0.00 0.00 34.13 28.85 1f5a s GLU 280 CO 0.40 -1.91 1.04 -1.58 -0.54 0.00 0.00 175.26 172.66 1f5a s TRP 281 N 2.97 3.11 -0.34 5.30 0.52 -1.26 -0.99 118.94 128.25 1f5a s TRP 281 Ca 0.41 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 58.02 1f5a s TRP 281 Cb -0.02 -2.95 0.22 0.00 -1.15 0.00 0.00 33.47 29.57 1f5a s TRP 281 CO -0.04 -0.92 2.04 -0.35 0.02 0.00 0.00 176.95 177.70 1f5a n PRO 282 N -1.90 1.86 -1.82 4.98 -0.04 -1.26 -5.11 135.00 131.71 1f5a n PRO 282 Ca 0.08 -1.67 -0.42 0.00 -0.04 0.00 0.00 63.50 61.45 1f5a n PRO 282 Cb 0.53 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1f5a n PRO 282 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1f5a s ASN 283 N 0.09 6.52 0.48 3.54 0.01 -0.16 -4.58 114.94 120.83 1f5a s ASN 283 Ca 0.33 2.61 -0.23 0.00 -0.71 0.00 0.00 52.86 54.87 1f5a s ASN 283 Cb 0.26 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.29 1f5a s ASN 283 CO -0.01 -0.95 1.28 -2.16 -1.51 0.00 0.00 177.10 173.75 1f5a s PRO 284 N 2.76 3.55 -0.28 -0.60 0.04 -1.26 -4.75 135.00 134.45 1f5a s PRO 284 Ca 0.78 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.71 1f5a s PRO 284 Cb -0.43 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1f5a s PRO 284 CO 0.34 -0.81 0.42 0.08 0.04 0.00 0.00 177.00 177.07 1f5a s VAL 285 N -1.38 5.13 -0.01 -0.36 1.01 -0.00 -5.00 120.40 119.79 1f5a s VAL 285 Ca 0.65 0.58 0.06 0.00 0.00 0.00 0.00 61.98 63.27 1f5a s VAL 285 Cb -0.36 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1f5a s VAL 285 CO 0.43 0.08 -0.20 -0.76 0.00 0.00 0.00 175.10 174.66 1f5a s LEU 286 N 2.15 2.05 0.11 3.92 1.43 -1.26 -1.43 118.68 125.65 1f5a s LEU 286 Ca 0.16 -0.38 0.21 0.00 -1.03 0.00 0.00 54.13 53.09 1f5a s LEU 286 Cb -0.16 -1.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.93 1f5a s LEU 286 CO 0.10 0.24 0.84 0.18 0.23 0.00 0.00 176.35 177.94 1f5a n LEU 287 N 2.50 0.66 -3.87 1.79 4.77 -1.26 -4.73 117.00 116.85 1f5a n LEU 287 Ca -0.15 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1f5a n LEU 287 Cb 0.53 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1f5a n LEU 287 CO 0.24 -0.05 0.37 -1.59 -1.33 0.00 0.00 177.39 175.03 1f5a s LYS 288 N -3.25 1.67 0.07 3.23 -2.85 -1.26 -4.49 119.74 112.85 1f5a s LYS 288 Ca -0.03 -1.03 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 1f5a s LYS 288 Cb 0.10 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.38 1f5a s LYS 288 CO 0.82 -0.74 1.12 -0.65 0.10 0.00 0.00 175.35 176.00 1f5a s GLN 289 N -3.94 4.50 0.46 1.78 -1.52 -1.26 -4.97 119.66 114.71 1f5a s GLN 289 Ca 0.14 1.66 -0.22 0.00 -1.95 0.00 0.00 55.36 54.99 1f5a s GLN 289 Cb -0.04 -3.36 -0.08 0.00 -0.22 0.00 0.00 33.01 29.31 1f5a s GLN 289 CO 0.06 -0.13 1.09 -1.25 -0.25 0.00 0.00 175.29 174.81 1f5a s PRO 290 N 0.75 3.86 -0.01 2.91 0.04 -1.26 -5.05 135.00 136.25 1f5a s PRO 290 Ca 0.55 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.21 1f5a s PRO 290 Cb -0.27 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1f5a s PRO 290 CO 0.30 -0.41 -0.22 -1.21 0.04 0.00 0.00 177.00 175.50 1f5a s GLU 291 N -2.84 2.15 0.12 4.56 2.02 -1.26 -5.11 118.70 118.34 1f5a s GLU 291 Ca 0.64 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1f5a s GLU 291 Cb -0.22 -2.14 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 1f5a s GLU 291 CO 0.27 0.57 1.18 -1.83 0.02 0.00 0.00 175.26 175.46 1f5a s GLU 292 N -0.89 4.48 -0.20 1.61 4.04 -1.26 -5.02 118.70 121.46 1f5a s GLU 292 Ca 0.11 1.79 -0.04 0.00 0.04 0.00 0.00 54.97 56.87 1f5a s GLU 292 Cb -0.10 -3.30 0.09 0.00 0.02 0.00 0.00 34.13 30.83 1f5a s GLU 292 CO 0.01 -0.14 0.20 0.00 -1.84 0.00 0.00 175.26 173.49 1f5a n ASN 294 N 5.31 0.00 0.00 0.00 4.13 -1.26 -4.39 115.26 119.05 1f5a n ASN 294 Ca -0.06 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1f5a n ASN 294 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1f5a n ASN 294 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1f5a n LEU 295 N -0.65 0.00 -0.71 3.41 4.77 -1.26 -4.05 117.00 118.50 1f5a n LEU 295 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1f5a n LEU 295 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1f5a n LEU 295 CO 0.00 0.00 -0.09 -3.20 -1.33 0.00 0.00 177.39 172.77 1f5a n ASN 296 N 0.00 -5.47 -4.85 -1.43 4.05 -1.26 -4.96 115.26 101.34 1f5a n ASN 296 Ca 0.00 0.23 -0.32 0.00 0.45 0.00 0.00 54.58 54.94 1f5a n ASN 296 Cb 0.00 -3.79 -0.06 0.00 1.23 0.00 0.00 39.78 37.16 1f5a n ASN 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1f5a s LEU 297 N -2.11 4.04 0.07 1.20 1.43 -1.26 -5.01 118.68 117.04 1f5a s LEU 297 Ca 0.00 1.28 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 1f5a s LEU 297 Cb 0.00 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.05 1f5a s LEU 297 CO 0.00 -0.23 1.66 -2.84 0.23 0.00 0.00 176.35 175.17 1f5a s PRO 298 N -3.06 4.19 -0.07 1.29 0.02 -1.26 -5.01 135.00 131.10 1f5a s PRO 298 Ca 0.54 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.92 1f5a s PRO 298 Cb -0.10 -3.62 0.01 0.00 0.02 0.00 0.00 34.50 30.81 1f5a s PRO 298 CO 0.18 -0.74 -0.14 0.08 -0.33 0.00 0.00 177.00 176.05 1f5a s VAL 299 N 2.72 1.26 0.02 3.83 1.01 -1.26 -4.59 120.40 123.40 1f5a s VAL 299 Ca 0.74 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1f5a s VAL 299 Cb -0.40 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 1f5a s VAL 299 CO 0.32 0.38 1.43 0.86 0.00 0.00 0.00 175.10 178.10 1f5a s TRP 300 N 0.66 2.84 -0.34 5.22 -0.00 -0.67 -4.94 118.94 121.72 1f5a s TRP 300 Ca -0.14 0.77 -0.06 0.00 -0.00 0.00 0.00 56.10 56.66 1f5a s TRP 300 Cb -0.16 -3.71 0.19 0.00 -0.00 0.00 0.00 33.47 29.79 1f5a s TRP 300 CO 0.04 -2.63 0.96 0.34 -0.00 0.00 0.00 176.95 175.66 1f5a s ASP 301 N 1.87 -0.60 0.63 5.86 -1.08 -1.26 -4.92 116.67 117.17 1f5a s ASP 301 Ca 0.65 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.70 1f5a s ASP 301 Cb -0.33 0.85 1.40 0.00 -1.46 0.00 0.00 42.92 43.38 1f5a s ASP 301 CO 0.28 -0.07 1.80 -0.65 0.52 0.00 0.00 175.17 177.05 1f5a h PRO 302 N 6.01 0.00 -0.50 4.34 0.11 -1.86 -0.37 132.00 139.73 1f5a h PRO 302 Ca -0.03 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1f5a h PRO 302 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1f5a h PRO 302 CO -0.04 0.00 -0.01 -0.09 -0.21 0.00 0.00 178.00 177.66 1f5a h ARG 303 N 0.00 0.84 0.00 1.05 2.43 -1.98 -3.32 114.38 113.40 1f5a h ARG 303 Ca 0.10 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1f5a h ARG 303 Cb 1.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1f5a h ARG 303 CO -0.00 0.85 -0.37 1.33 -1.51 0.00 0.00 179.97 180.26 1f5a n VAL 304 N -4.20 0.00 -3.87 0.20 0.24 -0.29 -4.88 118.33 105.52 1f5a n VAL 304 Ca 0.03 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.34 61.70 1f5a n VAL 304 Cb 0.31 0.98 -0.15 0.00 -1.47 0.00 0.00 33.84 33.51 1f5a n VAL 304 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1f5a s ASN 305 N -1.72 4.39 0.53 -1.34 3.84 -0.35 -4.98 114.94 115.30 1f5a s ASN 305 Ca 0.03 -1.89 0.24 0.00 0.21 0.00 0.00 52.86 51.45 1f5a s ASN 305 Cb 0.05 -1.23 1.38 0.00 -0.55 0.00 0.00 41.25 40.90 1f5a s ASN 305 CO 0.30 -0.40 2.01 -0.65 -2.79 0.00 0.00 177.10 175.57 1f5a h PRO 306 N 7.86 0.00 0.00 0.43 0.11 -1.86 -0.56 132.00 137.98 1f5a h PRO 306 Ca -0.09 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1f5a h PRO 306 Cb 1.02 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1f5a h PRO 306 CO 0.49 0.00 -0.29 1.03 -0.21 0.00 0.00 178.00 179.03 1f5a h SER 307 N 0.00 0.00 0.96 -2.05 0.87 -1.93 -2.28 113.55 109.12 1f5a h SER 307 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1f5a h SER 307 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1f5a h SER 307 CO -0.00 0.29 0.00 0.47 -0.53 0.00 0.00 176.83 177.06 1f5a n ASP 308 N -3.75 0.41 0.15 6.23 8.00 -0.22 -2.84 116.55 124.53 1f5a n ASP 308 Ca -0.01 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.18 1f5a n ASP 308 Cb 0.39 -0.67 0.48 0.00 -0.02 0.00 0.00 41.12 41.30 1f5a n ASP 308 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1f5a h ARG 309 N 0.00 0.00 -0.01 -1.24 3.08 -1.48 -3.01 114.38 111.72 1f5a h ARG 309 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f5a h ARG 309 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1f5a h ARG 309 CO 0.00 0.00 -0.21 0.66 -1.07 0.00 0.00 179.97 179.35 1f5a n TYR 310 N -2.40 0.00 -2.16 3.04 4.02 -1.13 -4.90 117.16 113.63 1f5a n TYR 310 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 1f5a n TYR 310 Cb 0.31 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1f5a n TYR 310 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1f5a s HIS 311 N -2.53 3.01 -2.00 -0.72 3.76 -1.14 -5.14 115.29 110.54 1f5a s HIS 311 Ca 0.25 0.84 0.01 0.00 -0.15 0.00 0.00 55.06 56.01 1f5a s HIS 311 Cb 0.19 -3.70 0.04 0.00 1.11 0.00 0.00 32.58 30.22 1f5a s HIS 311 CO 0.51 -2.56 1.03 1.28 -0.85 0.00 0.00 174.74 174.16 1f5a n LEU 312 N 4.65 0.24 -3.45 0.89 4.77 -1.26 -4.77 117.00 118.08 1f5a n LEU 312 Ca 0.13 -0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1f5a n LEU 312 Cb 0.43 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1f5a n LEU 312 CO 0.59 0.06 0.88 -2.16 -1.33 0.00 0.00 177.39 175.43 1f5a s PRO 314 N -1.94 0.12 -0.29 3.23 0.04 -1.26 -4.14 135.00 130.75 1f5a s PRO 314 Ca 0.03 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.31 1f5a s PRO 314 Cb 0.02 0.09 0.09 0.00 0.04 0.00 0.00 34.50 34.74 1f5a s PRO 314 CO 0.02 -0.03 0.06 0.42 0.04 0.00 0.00 177.00 177.51 1f5a s ILE 315 N 1.63 1.13 -0.04 0.56 1.01 -1.26 -0.82 121.20 123.40 1f5a s ILE 315 Ca -0.04 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 58.94 1f5a s ILE 315 Cb -0.02 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1f5a s ILE 315 CO -0.14 -0.54 0.72 -0.63 0.00 0.00 0.00 174.94 174.35 1f5a s ILE 316 N 1.51 4.98 0.25 2.92 -1.09 -0.52 -1.35 121.20 127.90 1f5a s ILE 316 Ca 0.07 1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 59.68 1f5a s ILE 316 Cb -0.18 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1f5a s ILE 316 CO -0.18 0.28 1.22 0.42 -1.23 0.00 0.00 174.94 175.44 1f5a s THR 317 N 0.60 3.27 -0.11 2.92 -4.23 -0.27 -4.48 115.64 113.33 1f5a s THR 317 Ca 0.38 1.16 0.30 0.00 -1.18 0.00 0.00 61.69 62.35 1f5a s THR 317 Cb -0.18 -3.74 0.35 0.00 1.34 0.00 0.00 72.50 70.27 1f5a s THR 317 CO 0.19 0.23 1.88 1.55 -0.54 0.00 0.00 174.62 177.94 1f5a h PRO 318 N 4.46 0.00 -6.54 3.99 0.13 -1.91 -3.36 132.00 128.77 1f5a h PRO 318 Ca -0.46 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.15 1f5a h PRO 318 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1f5a h PRO 318 CO 0.71 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.45 1f5a s ALA 319 N -3.53 3.47 0.15 -0.56 0.00 -1.26 -4.89 121.76 115.14 1f5a s ALA 319 Ca 0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1f5a s ALA 319 Cb 0.09 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.56 1f5a s ALA 319 CO 0.51 0.43 1.04 -0.47 0.00 0.00 0.00 175.76 177.27 1f5a s TYR 320 N -1.85 3.70 -0.24 0.00 5.04 -1.26 -1.82 117.35 120.92 1f5a s TYR 320 Ca 0.49 1.69 -0.28 0.00 -2.44 0.00 0.00 57.07 56.54 1f5a s TYR 320 Cb -0.11 -3.17 0.01 0.00 0.35 0.00 0.00 41.96 39.03 1f5a s TYR 320 CO 0.20 -0.24 0.98 -2.14 -1.34 0.00 0.00 175.55 173.01 1f5a s PRO 321 N -0.22 4.22 0.29 4.97 0.02 -1.26 -5.02 135.00 138.01 1f5a s PRO 321 Ca 0.48 1.21 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 1f5a s PRO 321 Cb -0.27 -3.65 -0.12 0.00 0.02 0.00 0.00 34.50 30.49 1f5a s PRO 321 CO 0.32 -0.62 1.60 0.00 -0.33 0.00 0.00 177.00 177.98 1f5a n GLN 322 N 6.27 2.70 -4.15 5.54 0.00 -0.76 -4.92 117.38 122.06 1f5a n GLN 322 Ca 0.10 0.96 -0.13 0.00 0.00 0.00 0.00 57.00 57.93 1f5a n GLN 322 Cb 0.47 -2.75 -0.11 0.00 0.00 0.00 0.00 30.24 27.85 1f5a n GLN 322 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1f5a s GLN 323 N -0.50 0.78 -0.43 2.61 2.00 -1.26 -1.67 119.66 121.19 1f5a s GLN 323 Ca 0.64 -1.13 -0.26 0.00 -2.00 0.00 0.00 55.36 52.61 1f5a s GLN 323 Cb -0.50 -0.38 0.02 0.00 0.80 0.00 0.00 33.01 32.96 1f5a s GLN 323 CO 0.48 0.04 0.93 1.21 -0.50 0.00 0.00 175.29 177.46 1f5a s ASN 324 N -2.46 6.56 0.00 6.67 3.04 -1.26 -1.12 114.94 126.37 1f5a s ASN 324 Ca 0.04 0.28 0.21 0.00 0.04 0.00 0.00 52.86 53.43 1f5a s ASN 324 Cb -0.02 -2.46 1.26 0.00 -1.54 0.00 0.00 41.25 38.50 1f5a s ASN 324 CO -0.01 -1.00 1.67 -1.54 -3.04 0.00 0.00 177.10 173.18 1f5a n SER 325 N 7.07 0.00 -2.82 -4.21 3.41 -0.46 -3.51 113.62 113.10 1f5a n SER 325 Ca 0.07 -0.80 -0.01 0.00 -0.26 0.00 0.00 58.87 57.87 1f5a n SER 325 Cb 0.48 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.48 1f5a n SER 325 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f5a n THR 326 N -0.95 1.23 0.89 6.66 -2.24 -1.26 -4.85 114.28 113.74 1f5a n THR 326 Ca 0.16 -2.92 0.10 0.00 -2.27 0.00 0.00 64.05 59.12 1f5a n THR 326 Cb 0.07 1.23 0.49 0.00 -2.10 0.00 0.00 70.33 70.02 1f5a n THR 326 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f5a n TYR 327 N -0.54 0.00 1.60 4.78 0.18 -1.23 -2.37 117.16 119.58 1f5a n TYR 327 Ca 0.07 0.00 0.15 0.00 1.88 0.00 0.00 57.90 60.00 1f5a n TYR 327 Cb 0.80 -0.35 0.69 0.00 -0.38 0.00 0.00 39.34 40.10 1f5a n TYR 327 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1f5a n ASN 328 N -1.35 0.57 -4.76 9.48 3.02 -1.26 -4.88 115.26 116.08 1f5a n ASN 328 Ca 0.08 -0.91 -0.41 0.00 -0.03 0.00 0.00 54.58 53.32 1f5a n ASN 328 Cb 0.19 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1f5a n ASN 328 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f5a s VAL 329 N -2.23 3.11 0.46 2.41 1.01 -1.00 -4.28 120.40 119.88 1f5a s VAL 329 Ca 0.36 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.43 1f5a s VAL 329 Cb 0.21 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1f5a s VAL 329 CO 0.41 0.23 0.04 -0.94 0.00 0.00 0.00 175.10 174.84 1f5a s SER 330 N -0.40 3.66 0.30 3.32 1.04 -1.26 -4.62 113.70 115.73 1f5a s SER 330 Ca 0.49 -1.59 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1f5a s SER 330 Cb -0.36 0.31 0.58 0.00 0.10 0.00 0.00 66.02 66.65 1f5a s SER 330 CO 0.45 -0.78 1.86 0.58 0.98 0.00 0.00 173.24 176.33 1f5a h VAL 331 N 1.58 0.96 0.74 5.02 2.07 -1.98 -2.01 116.25 122.62 1f5a h VAL 331 Ca -0.42 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1f5a h VAL 331 Cb 1.29 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1f5a h VAL 331 CO 0.71 0.18 -0.35 0.28 0.02 0.00 0.00 177.57 178.41 1f5a h SER 332 N 0.97 -0.84 -0.81 0.57 0.02 -1.88 -3.27 113.55 108.32 1f5a h SER 332 Ca 0.46 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1f5a h SER 332 Cb 0.42 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1f5a h SER 332 CO -0.22 -0.55 0.47 0.71 -1.14 0.00 0.00 176.83 176.10 1f5a h THR 333 N -1.08 1.23 0.00 -2.27 1.35 -1.76 -1.84 112.91 108.55 1f5a h THR 333 Ca -0.10 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1f5a h THR 333 Cb 0.78 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1f5a h THR 333 CO 0.17 0.25 0.00 -1.14 -0.25 0.00 0.00 175.52 174.55 1f5a n ARG 334 N -4.44 0.02 -0.42 4.72 0.63 -0.77 -4.58 116.66 111.83 1f5a n ARG 334 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1f5a n ARG 334 Cb 0.07 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.80 1f5a n ARG 334 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1f5a n VAL 336 N 0.67 0.00 0.00 5.15 0.31 -0.69 -4.60 118.33 119.16 1f5a n VAL 336 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1f5a n VAL 336 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1f5a n VAL 336 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1f5a n VAL 338 N -0.42 0.00 0.11 2.52 0.31 -1.26 -1.55 118.33 118.04 1f5a n VAL 338 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1f5a n VAL 338 Cb 0.00 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.26 1f5a n VAL 338 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1f5a h GLU 339 N 0.00 0.23 -0.21 5.55 4.39 -1.96 -2.16 114.58 120.42 1f5a h GLU 339 Ca 0.00 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1f5a h GLU 339 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1f5a h GLU 339 CO 0.00 0.46 -0.52 0.93 -1.16 0.00 0.00 179.01 178.73 1f5a h GLU 340 N 0.21 0.60 -0.35 2.33 4.39 -1.67 -2.60 114.58 117.50 1f5a h GLU 340 Ca 0.03 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 1f5a h GLU 340 Cb 0.54 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1f5a h GLU 340 CO 0.04 0.97 0.10 0.74 -1.16 0.00 0.00 179.01 179.70 1f5a h PHE 341 N 0.47 0.58 -0.90 4.33 0.04 -1.75 -0.88 116.94 118.82 1f5a h PHE 341 Ca 0.02 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1f5a h PHE 341 Cb 1.06 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 39.00 1f5a h PHE 341 CO 0.05 0.57 0.58 0.87 -0.60 0.00 0.00 178.31 179.78 1f5a h LYS 342 N 0.41 1.20 -0.13 1.51 1.57 -1.31 0.20 116.57 120.02 1f5a h LYS 342 Ca 0.11 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1f5a h LYS 342 Cb 0.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1f5a h LYS 342 CO -0.00 0.81 -0.60 1.96 -0.57 0.00 0.00 179.45 181.06 1f5a h GLN 343 N 1.23 0.45 -0.77 3.15 1.08 -1.31 -2.27 115.11 116.67 1f5a h GLN 343 Ca 0.33 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1f5a h GLN 343 Cb -0.11 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1f5a h GLN 343 CO -0.07 0.91 0.33 0.78 -0.95 0.00 0.00 178.83 179.83 1f5a h GLY 344 N 1.20 1.22 0.99 3.46 0.00 -0.27 -0.74 103.07 108.93 1f5a h GLY 344 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1f5a h GLY 344 CO 0.11 0.61 0.18 -2.00 0.00 0.00 0.00 176.54 175.43 1f5a h LEU 345 N 1.11 0.33 -0.54 3.11 5.85 -0.81 -1.27 115.31 123.09 1f5a h LEU 345 Ca 0.26 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1f5a h LEU 345 Cb 0.18 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1f5a h LEU 345 CO -0.03 0.27 0.33 0.00 -0.34 0.00 0.00 178.44 178.68 1f5a h ALA 346 N 1.08 0.69 -0.14 1.25 0.00 -1.00 -0.44 119.26 120.71 1f5a h ALA 346 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1f5a h ALA 346 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1f5a h ALA 346 CO -0.02 0.17 0.01 0.82 0.00 0.00 0.00 179.25 180.23 1f5a h ILE 347 N 0.73 1.24 -0.23 0.00 2.04 -0.95 -2.67 117.51 117.66 1f5a h ILE 347 Ca 0.20 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1f5a h ILE 347 Cb -0.03 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1f5a h ILE 347 CO -0.04 0.23 0.07 0.71 0.00 0.00 0.00 178.15 179.12 1f5a h THR 348 N -0.01 1.11 -0.24 -0.27 1.35 -1.08 -0.67 112.91 113.10 1f5a h THR 348 Ca 0.04 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1f5a h THR 348 Cb 0.34 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 1f5a h THR 348 CO 0.00 0.13 0.03 0.44 -0.25 0.00 0.00 175.52 175.88 1f5a h ASP 349 N 0.32 -0.02 0.91 5.36 3.32 -0.74 0.11 116.42 125.69 1f5a h ASP 349 Ca 0.08 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1f5a h ASP 349 Cb 0.11 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1f5a h ASP 349 CO -0.01 0.02 -0.36 1.05 -1.72 0.00 0.00 179.24 178.22 1f5a h GLU 350 N 0.12 0.00 -0.34 3.56 4.11 -1.19 -2.39 114.58 118.45 1f5a h GLU 350 Ca 0.11 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.43 1f5a h GLU 350 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1f5a h GLU 350 CO -0.16 0.36 -0.23 0.82 0.07 0.00 0.00 179.01 179.88 1f5a h ILE 351 N 0.00 1.27 0.00 -1.06 2.04 -0.11 0.44 117.51 120.09 1f5a h ILE 351 Ca -0.00 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.49 1f5a h ILE 351 Cb 0.92 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1f5a h ILE 351 CO 0.05 0.43 -0.28 -0.07 0.00 0.00 0.00 178.15 178.27 1f5a h LEU 352 N 0.59 0.00 -1.51 1.44 3.38 -0.44 -2.26 115.31 116.51 1f5a h LEU 352 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1f5a h LEU 352 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1f5a h LEU 352 CO 0.05 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.05 1f5a n LEU 353 N -3.53 2.32 -0.71 1.67 4.77 -0.83 -4.93 117.00 115.77 1f5a n LEU 353 Ca -0.00 -0.83 -0.09 0.00 -0.03 0.00 0.00 56.01 55.05 1f5a n LEU 353 Cb 0.43 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1f5a n LEU 353 CO 0.35 0.42 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.53 1f5a n SER 354 N 0.80 -4.10 -0.82 -1.43 7.64 -0.18 -4.86 113.62 110.66 1f5a n SER 354 Ca 0.17 0.23 0.10 0.00 1.01 0.00 0.00 58.87 60.37 1f5a n SER 354 Cb 0.48 -2.43 0.28 0.00 -1.01 0.00 0.00 64.21 61.53 1f5a n SER 354 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1f5a n LYS 355 N -2.72 2.05 -3.51 1.43 5.02 0.14 -4.90 118.16 115.67 1f5a n LYS 355 Ca -0.09 -1.61 -0.11 0.00 -2.02 0.00 0.00 58.31 54.49 1f5a n LYS 355 Cb 0.31 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1f5a n LYS 355 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f5a s ALA 356 N -1.58 -1.80 0.13 7.82 0.00 -1.09 -4.88 121.76 120.35 1f5a s ALA 356 Ca 0.34 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.42 1f5a s ALA 356 Cb 0.19 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1f5a s ALA 356 CO 0.26 -0.59 0.08 -1.21 0.00 0.00 0.00 175.76 174.30 1f5a s GLU 357 N -2.60 2.77 0.55 0.00 0.41 -1.26 -4.23 118.70 114.33 1f5a s GLU 357 Ca 0.01 -0.84 0.36 0.00 -0.41 0.00 0.00 54.97 54.10 1f5a s GLU 357 Cb -0.01 -2.62 1.55 0.00 -1.78 0.00 0.00 34.13 31.27 1f5a s GLU 357 CO -0.05 0.52 1.80 -1.49 -0.49 0.00 0.00 175.26 175.54 1f5a h TRP 358 N 2.90 0.00 -0.12 1.61 4.06 -1.94 0.10 115.95 122.56 1f5a h TRP 358 Ca -0.47 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.51 1f5a h TRP 358 Cb 1.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1f5a h TRP 358 CO 0.60 0.00 0.13 0.66 -3.56 0.00 0.00 178.44 176.27 1f5a h SER 359 N 0.00 0.00 0.58 -3.49 4.64 -1.94 -1.15 113.55 112.19 1f5a h SER 359 Ca 0.55 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.82 1f5a h SER 359 Cb 2.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.33 1f5a h SER 359 CO -0.01 0.00 -0.24 0.50 -0.87 0.00 0.00 176.83 176.21 1f5a h LYS 360 N 0.00 0.00 -0.25 4.77 3.64 -1.20 -2.81 116.57 120.73 1f5a h LYS 360 Ca 0.06 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 1f5a h LYS 360 Cb 0.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1f5a h LYS 360 CO -0.00 0.24 -0.42 1.25 -2.27 0.00 0.00 179.45 178.25 1f5a h LEU 361 N 0.00 0.79 -3.08 5.20 6.46 -1.37 -3.18 115.31 120.12 1f5a h LEU 361 Ca -0.00 -0.53 -0.16 0.00 -0.12 0.00 0.00 57.88 57.07 1f5a h LEU 361 Cb 0.60 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 1f5a h LEU 361 CO 0.03 1.17 0.20 0.49 -0.62 0.00 0.00 178.44 179.71 1f5a n PHE 362 N -4.18 1.79 -3.11 1.25 3.72 -1.08 -4.89 117.46 110.96 1f5a n PHE 362 Ca -0.05 -0.92 -0.39 0.00 -0.05 0.00 0.00 57.45 56.04 1f5a n PHE 362 Cb 0.55 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1f5a n PHE 362 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1f5a s GLU 363 N -2.29 4.40 -0.28 -1.08 2.12 -1.08 -4.97 118.70 115.51 1f5a s GLU 363 Ca 0.40 0.82 -0.24 0.00 0.36 0.00 0.00 54.97 56.31 1f5a s GLU 363 Cb 0.32 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 1f5a s GLU 363 CO 0.10 0.20 0.80 0.00 -0.54 0.00 0.00 175.26 175.81 1f5a s ALA 364 N 0.37 3.57 0.40 6.30 0.00 -1.26 -4.89 121.76 126.25 1f5a s ALA 364 Ca 0.34 -0.32 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1f5a s ALA 364 Cb -0.18 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1f5a s ALA 364 CO 0.18 -1.10 1.25 -2.14 0.00 0.00 0.00 175.76 173.95 1f5a s PRO 365 N 2.92 4.00 -0.60 0.00 0.02 -1.26 -4.86 135.00 135.22 1f5a s PRO 365 Ca 0.33 2.04 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 1f5a s PRO 365 Cb -0.14 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 1f5a s PRO 365 CO 0.11 -0.42 1.95 1.21 -0.33 0.00 0.00 177.00 179.52 1f5a s ASN 366 N -0.88 5.12 0.35 2.53 3.84 -1.26 -4.75 114.94 119.89 1f5a s ASN 366 Ca 0.57 0.42 0.08 0.00 0.21 0.00 0.00 52.86 54.14 1f5a s ASN 366 Cb -0.35 -2.53 0.78 0.00 -0.55 0.00 0.00 41.25 38.60 1f5a s ASN 366 CO 0.45 -2.48 1.87 0.15 -2.79 0.00 0.00 177.10 174.30 1f5a h PHE 367 N 15.60 0.85 0.00 0.43 3.57 -1.98 0.80 116.94 136.21 1f5a h PHE 367 Ca -0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1f5a h PHE 367 Cb 1.17 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1f5a h PHE 367 CO 1.04 0.33 0.00 1.19 -2.23 0.00 0.00 178.31 178.63 1f5a n PHE 368 N -4.56 0.00 -1.16 0.41 3.72 -1.26 -3.10 117.46 111.50 1f5a n PHE 368 Ca 0.17 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1f5a n PHE 368 Cb 0.44 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1f5a n PHE 368 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1f5a n GLN 369 N 0.18 0.00 0.05 -1.08 6.02 0.24 -4.90 117.38 117.89 1f5a n GLN 369 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1f5a n GLN 369 Cb 0.23 -0.17 0.18 0.00 1.02 0.00 0.00 30.24 31.51 1f5a n GLN 369 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1f5a n LYS 370 N 0.00 0.26 -4.32 -1.09 2.85 -0.97 -4.88 118.16 110.02 1f5a n LYS 370 Ca 0.00 0.08 -0.30 0.00 -1.05 0.00 0.00 58.31 57.04 1f5a n LYS 370 Cb 0.17 -1.66 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 1f5a n LYS 370 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1f5a s TYR 371 N -3.15 2.62 -0.80 5.58 2.02 -1.26 -5.02 117.35 117.34 1f5a s TYR 371 Ca 0.07 -0.22 0.26 0.00 -0.37 0.00 0.00 57.07 56.81 1f5a s TYR 371 Cb 0.14 -1.39 0.75 0.00 -0.40 0.00 0.00 41.96 41.05 1f5a s TYR 371 CO 0.72 0.39 1.65 1.63 -1.57 0.00 0.00 175.55 178.37 1f5a n LYS 372 N 0.86 0.18 -3.84 -0.62 5.02 -1.26 -4.51 118.16 113.99 1f5a n LYS 372 Ca -0.15 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.14 1f5a n LYS 372 Cb 0.52 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 1f5a n LYS 372 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1f5a s HIS 373 N -3.08 -0.06 0.17 2.13 3.76 -1.26 -1.31 115.29 115.63 1f5a s HIS 373 Ca 0.10 0.12 -0.03 0.00 -0.15 0.00 0.00 55.06 55.10 1f5a s HIS 373 Cb 0.15 0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.81 1f5a s HIS 373 CO 0.63 -0.22 0.15 0.71 -0.85 0.00 0.00 174.74 175.17 1f5a s TYR 374 N -0.80 0.82 -0.06 1.40 1.51 0.91 -1.02 117.35 120.10 1f5a s TYR 374 Ca -0.09 -1.14 0.03 0.00 -1.01 0.00 0.00 57.07 54.86 1f5a s TYR 374 Cb -0.05 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1f5a s TYR 374 CO 0.01 -0.63 -0.15 0.42 -1.11 0.00 0.00 175.55 174.09 1f5a s ILE 375 N -4.06 1.34 -0.16 2.71 1.01 -0.38 0.31 121.20 121.97 1f5a s ILE 375 Ca 0.27 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1f5a s ILE 375 Cb 0.06 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1f5a s ILE 375 CO 0.05 0.40 -0.02 -0.69 0.00 0.00 0.00 174.94 174.68 1f5a s VAL 376 N 0.39 4.10 -0.20 2.92 1.01 -1.26 -0.29 120.40 127.06 1f5a s VAL 376 Ca -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1f5a s VAL 376 Cb -0.14 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1f5a s VAL 376 CO 0.04 0.49 0.00 -0.22 0.00 0.00 0.00 175.10 175.41 1f5a s LEU 377 N 0.32 3.26 -0.13 3.92 0.20 -0.32 -4.24 118.68 121.71 1f5a s LEU 377 Ca -0.02 -0.20 -0.00 0.00 0.69 0.00 0.00 54.13 54.59 1f5a s LEU 377 Cb -0.14 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 1f5a s LEU 377 CO 0.02 0.06 -0.13 -0.76 -0.29 0.00 0.00 176.35 175.26 1f5a s LEU 378 N 1.03 2.75 -0.09 -0.68 1.43 0.85 -1.37 118.68 122.60 1f5a s LEU 378 Ca 0.02 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1f5a s LEU 378 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1f5a s LEU 378 CO 0.02 0.18 -0.12 0.00 0.23 0.00 0.00 176.35 176.66 1f5a s ALA 379 N 0.28 1.37 0.19 4.21 0.00 -0.30 -1.19 121.76 126.32 1f5a s ALA 379 Ca -0.09 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1f5a s ALA 379 Cb -0.16 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1f5a s ALA 379 CO 0.05 -0.06 -0.09 -1.12 0.00 0.00 0.00 175.76 174.54 1f5a s SER 380 N 1.00 2.11 0.06 0.00 0.01 0.10 -0.56 113.70 116.43 1f5a s SER 380 Ca -0.08 -1.08 -0.21 0.00 1.31 0.00 0.00 55.95 55.90 1f5a s SER 380 Cb -0.15 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.07 1f5a s SER 380 CO -0.01 -0.33 0.50 0.00 0.41 0.00 0.00 173.24 173.81 1f5a s ALA 381 N -3.22 -1.25 -0.10 1.44 0.00 -1.00 -0.93 121.76 116.70 1f5a s ALA 381 Ca 0.22 0.47 0.30 0.00 0.00 0.00 0.00 51.96 52.95 1f5a s ALA 381 Cb 0.02 0.45 1.22 0.00 0.00 0.00 0.00 23.12 24.82 1f5a s ALA 381 CO 0.05 -0.53 1.89 -1.00 0.00 0.00 0.00 175.76 176.17 1f5a h PRO 382 N 2.71 0.00 -3.92 0.00 0.13 -1.85 -3.38 132.00 125.69 1f5a h PRO 382 Ca -0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.67 1f5a h PRO 382 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1f5a h PRO 382 CO 0.42 0.00 -0.63 0.95 -0.23 0.00 0.00 178.00 178.51 1f5a s THR 383 N -3.54 0.13 0.31 1.56 -4.23 -1.26 -4.92 115.64 103.69 1f5a s THR 383 Ca 0.02 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.53 1f5a s THR 383 Cb 0.09 -0.62 0.31 0.00 1.34 0.00 0.00 72.50 73.62 1f5a s THR 383 CO 0.50 -0.59 1.79 -0.33 -0.54 0.00 0.00 174.62 175.45 1f5a h GLU 384 N 4.15 0.72 -0.48 3.99 4.39 -1.93 0.12 114.58 125.54 1f5a h GLU 384 Ca -0.32 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1f5a h GLU 384 Cb 1.19 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1f5a h GLU 384 CO 0.47 0.48 0.32 0.87 -1.16 0.00 0.00 179.01 179.98 1f5a h LYS 385 N 0.74 0.64 -0.11 2.33 1.79 -1.99 -1.49 116.57 118.48 1f5a h LYS 385 Ca 0.57 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.82 1f5a h LYS 385 Cb 0.91 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1f5a h LYS 385 CO -0.36 0.43 -0.65 1.96 -1.08 0.00 0.00 179.45 179.75 1f5a h GLN 386 N 0.65 0.45 -0.84 3.15 4.20 -1.53 -2.24 115.11 118.95 1f5a h GLN 386 Ca 0.18 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1f5a h GLN 386 Cb -0.07 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1f5a h GLN 386 CO -0.04 0.95 0.51 -0.09 -0.67 0.00 0.00 178.83 179.49 1f5a h ARG 387 N 0.32 1.14 -0.08 1.46 2.43 -0.60 0.76 114.38 119.82 1f5a h ARG 387 Ca -0.02 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1f5a h ARG 387 Cb 1.21 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1f5a h ARG 387 CO 0.12 0.80 0.02 -0.07 -1.51 0.00 0.00 179.97 179.32 1f5a h LEU 388 N 1.16 0.13 0.29 3.80 3.38 -1.09 -1.15 115.31 121.83 1f5a h LEU 388 Ca 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1f5a h LEU 388 Cb -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1f5a h LEU 388 CO -0.06 0.34 -0.14 -0.33 0.09 0.00 0.00 178.44 178.34 1f5a h GLU 389 N -0.09 -0.37 -0.26 1.13 5.08 -0.80 -2.69 114.58 116.58 1f5a h GLU 389 Ca 0.03 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1f5a h GLU 389 Cb 0.26 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1f5a h GLU 389 CO 0.00 -0.06 -0.28 2.35 -1.00 0.00 0.00 179.01 180.02 1f5a h TRP 390 N -0.69 -0.76 -0.91 4.33 -0.00 0.45 -0.44 115.95 117.93 1f5a h TRP 390 Ca -0.04 0.04 0.12 0.00 -0.00 0.00 0.00 58.89 59.01 1f5a h TRP 390 Cb 0.48 0.38 -0.07 0.00 -0.00 0.00 0.00 29.16 29.94 1f5a h TRP 390 CO 0.02 -0.35 0.58 0.28 -0.00 0.00 0.00 178.44 178.97 1f5a h VAL 391 N -0.28 0.90 -0.53 2.65 2.07 -1.25 0.14 116.25 119.95 1f5a h VAL 391 Ca 0.14 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1f5a h VAL 391 Cb 0.50 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1f5a h VAL 391 CO -0.42 0.15 0.11 1.23 0.02 0.00 0.00 177.57 178.66 1f5a h GLY 392 N 0.82 0.89 0.47 2.17 0.00 -0.76 -1.07 103.07 105.59 1f5a h GLY 392 Ca 0.44 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1f5a h GLY 392 CO -0.20 0.49 -0.04 -2.00 0.00 0.00 0.00 176.54 174.78 1f5a h LEU 393 N 0.79 -0.11 -1.06 3.11 6.46 0.15 -3.11 115.31 121.55 1f5a h LEU 393 Ca 0.17 -0.43 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 1f5a h LEU 393 Cb 0.32 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 1f5a h LEU 393 CO 0.00 0.41 0.63 1.62 -0.62 0.00 0.00 178.44 180.48 1f5a h VAL 394 N -0.66 1.13 -0.95 1.05 3.04 -1.00 -1.99 116.25 116.86 1f5a h VAL 394 Ca -0.01 -0.40 0.08 0.00 -1.01 0.00 0.00 66.70 65.35 1f5a h VAL 394 Cb 0.53 -0.15 -0.07 0.00 -2.01 0.00 0.00 31.29 29.58 1f5a h VAL 394 CO 0.02 0.22 0.60 -0.08 -1.01 0.00 0.00 177.57 177.31 1f5a h GLU 395 N 1.18 1.02 0.00 4.17 4.81 -1.21 0.20 114.58 124.75 1f5a h GLU 395 Ca 0.40 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1f5a h GLU 395 Cb 0.09 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1f5a h GLU 395 CO -0.14 0.68 0.00 -1.13 -0.73 0.00 0.00 179.01 177.69 1f5a n SER 396 N -4.58 0.00 -0.00 1.04 3.41 -0.76 -2.75 113.62 109.97 1f5a n SER 396 Ca 0.15 0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.90 1f5a n SER 396 Cb 0.22 -0.30 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1f5a n SER 396 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1f5a n LYS 397 N -1.30 0.87 -0.17 4.33 4.76 0.67 -4.58 118.16 122.73 1f5a n LYS 397 Ca 0.08 -0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.55 1f5a n LYS 397 Cb 0.15 -1.37 0.46 0.00 -1.84 0.00 0.00 35.03 32.44 1f5a n LYS 397 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1f5a h ILE 398 N 0.00 0.85 -0.32 -0.18 2.04 -1.23 -0.30 117.51 118.37 1f5a h ILE 398 Ca 0.00 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1f5a h ILE 398 Cb 0.64 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1f5a h ILE 398 CO 0.00 0.09 0.22 0.03 0.00 0.00 0.00 178.15 178.49 1f5a h ARG 399 N 0.51 0.19 -0.01 2.37 3.08 -1.81 -1.37 114.38 117.34 1f5a h ARG 399 Ca 0.36 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.42 1f5a h ARG 399 Cb 0.69 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1f5a h ARG 399 CO -0.12 0.13 -0.13 0.82 -1.07 0.00 0.00 179.97 179.60 1f5a h ILE 400 N 0.20 0.68 -0.15 2.04 2.04 -1.36 0.61 117.51 121.56 1f5a h ILE 400 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1f5a h ILE 400 Cb 0.32 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1f5a h ILE 400 CO -0.02 0.00 -0.00 0.25 0.00 0.00 0.00 178.15 178.37 1f5a h LEU 401 N -0.21 -0.06 -1.18 1.44 6.46 -1.35 -0.69 115.31 119.72 1f5a h LEU 401 Ca 0.05 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 58.00 1f5a h LEU 401 Cb 0.27 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.18 1f5a h LEU 401 CO -0.14 -0.01 0.60 0.58 -0.62 0.00 0.00 178.44 178.86 1f5a h VAL 402 N 0.04 0.80 -0.24 1.05 2.07 -1.02 0.16 116.25 119.12 1f5a h VAL 402 Ca 0.07 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1f5a h VAL 402 Cb 0.08 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1f5a h VAL 402 CO -0.12 0.14 0.02 1.23 0.02 0.00 0.00 177.57 178.85 1f5a h GLY 403 N 0.74 0.45 0.95 2.17 0.00 0.22 -1.47 103.07 106.14 1f5a h GLY 403 Ca 0.50 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1f5a h GLY 403 CO -0.26 0.29 0.60 1.76 0.00 0.00 0.00 176.54 178.93 1f5a h SER 404 N 0.20 1.02 -0.67 0.19 0.02 0.45 -2.75 113.55 112.00 1f5a h SER 404 Ca 0.07 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1f5a h SER 404 Cb 0.38 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1f5a h SER 404 CO 0.01 0.72 0.09 -0.07 -1.14 0.00 0.00 176.83 176.44 1f5a h LEU 405 N 1.19 1.08 -0.88 5.07 3.38 -0.56 -3.04 115.31 121.55 1f5a h LEU 405 Ca 0.34 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1f5a h LEU 405 Cb -0.08 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 1f5a h LEU 405 CO -0.09 1.07 0.16 -0.33 0.09 0.00 0.00 178.44 179.35 1f5a h GLU 406 N 1.04 0.99 -0.66 1.13 5.08 -1.00 -2.21 114.58 118.95 1f5a h GLU 406 Ca 0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1f5a h GLU 406 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1f5a h GLU 406 CO 0.02 0.88 0.00 1.63 -1.00 0.00 0.00 179.01 180.53 1f5a n LYS 407 N -4.25 0.77 -3.79 2.33 5.02 -1.07 -4.63 118.16 112.54 1f5a n LYS 407 Ca 0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 1f5a n LYS 407 Cb 0.24 -1.33 -0.12 0.00 -0.02 0.00 0.00 35.03 33.80 1f5a n LYS 407 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1f5a s ASN 408 N -0.37 5.21 0.21 4.39 3.84 -0.83 -5.00 114.94 122.39 1f5a s ASN 408 Ca 0.00 -1.43 0.07 0.00 0.21 0.00 0.00 52.86 51.71 1f5a s ASN 408 Cb 0.00 -1.83 0.64 0.00 -0.55 0.00 0.00 41.25 39.51 1f5a s ASN 408 CO 0.00 -0.38 0.97 -1.84 -2.79 0.00 0.00 177.10 173.06 1f5a n GLU 409 N 4.72 -0.04 0.24 0.43 -0.00 -1.26 0.51 120.64 125.23 1f5a n GLU 409 Ca -0.10 0.89 0.15 0.00 -0.00 0.00 0.00 57.16 58.10 1f5a n GLU 409 Cb 0.43 -1.50 0.51 0.00 -0.00 0.00 0.00 31.44 30.89 1f5a n GLU 409 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1f5a h PHE 410 N 0.00 0.00 -3.23 -1.84 -1.00 -1.94 -3.45 116.94 105.48 1f5a h PHE 410 Ca 0.44 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.59 1f5a h PHE 410 Cb 1.05 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.46 1f5a h PHE 410 CO -0.17 0.00 -0.57 0.42 -1.61 0.00 0.00 178.31 176.38 1f5a s ILE 411 N -3.47 4.76 -0.14 -0.55 1.01 0.18 -0.67 121.20 122.33 1f5a s ILE 411 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 1f5a s ILE 411 Cb 0.08 -3.12 -0.24 0.00 0.01 0.00 0.00 42.46 39.19 1f5a s ILE 411 CO 0.56 0.50 0.48 0.74 0.00 0.00 0.00 174.94 177.22 1f5a h THR 412 N 4.71 1.11 -2.88 2.92 2.02 -1.07 -3.44 112.91 116.27 1f5a h THR 412 Ca -0.40 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1f5a h THR 412 Cb 1.18 2.66 -0.12 0.00 -1.74 0.00 0.00 68.15 70.13 1f5a h THR 412 CO 0.67 0.57 0.26 -1.48 0.37 0.00 0.00 175.52 175.91 1f5a s LEU 413 N -7.75 -0.53 -0.12 2.58 2.34 -1.22 -4.79 118.68 109.18 1f5a s LEU 413 Ca -0.23 -0.00 0.01 0.00 0.06 0.00 0.00 54.13 53.96 1f5a s LEU 413 Cb 0.04 2.51 0.02 0.00 -0.56 0.00 0.00 46.19 48.19 1f5a s LEU 413 CO 0.70 -0.92 -0.12 0.00 -1.06 0.00 0.00 176.35 174.95 1f5a s ALA 414 N -3.65 1.55 -0.39 1.48 0.00 -1.26 -2.22 121.76 117.27 1f5a s ALA 414 Ca 0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1f5a s ALA 414 Cb -0.01 -0.89 0.08 0.00 0.00 0.00 0.00 23.12 22.29 1f5a s ALA 414 CO -0.12 -0.27 0.20 -1.58 0.00 0.00 0.00 175.76 173.99 1f5a s HIS 415 N 1.36 3.37 -0.37 0.00 2.46 0.12 -4.57 115.29 117.66 1f5a s HIS 415 Ca 0.00 -1.73 -0.26 0.00 0.47 0.00 0.00 55.06 53.54 1f5a s HIS 415 Cb -0.14 -2.82 0.02 0.00 -0.13 0.00 0.00 32.58 29.51 1f5a s HIS 415 CO -0.06 -0.85 0.94 0.08 -2.47 0.00 0.00 174.74 172.38 1f5a s VAL 416 N 1.34 4.57 -0.32 0.89 1.01 -1.26 0.28 120.40 126.90 1f5a s VAL 416 Ca 0.02 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 1f5a s VAL 416 Cb -0.22 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1f5a s VAL 416 CO 0.01 -0.55 1.80 0.21 0.00 0.00 0.00 175.10 176.56 1f5a s ASN 417 N 1.88 5.91 0.14 3.32 3.04 -0.89 -4.85 114.94 123.49 1f5a s ASN 417 Ca 0.39 1.33 0.11 0.00 0.04 0.00 0.00 52.86 54.72 1f5a s ASN 417 Cb -0.12 -2.53 0.56 0.00 -1.54 0.00 0.00 41.25 37.62 1f5a s ASN 417 CO 0.19 -1.69 1.33 -0.81 -3.04 0.00 0.00 177.10 173.07 1f5a n PRO 418 N 8.41 0.07 -3.23 0.43 -0.04 -1.26 -4.40 135.00 134.98 1f5a n PRO 418 Ca 0.23 0.54 -0.45 0.00 -0.04 0.00 0.00 63.50 63.79 1f5a n PRO 418 Cb 0.47 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.16 1f5a n PRO 418 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1f5a s GLN 419 N -3.24 3.03 0.69 0.54 1.11 -1.26 -5.05 119.66 115.47 1f5a s GLN 419 Ca -0.01 -1.33 -0.10 0.00 0.01 0.00 0.00 55.36 53.93 1f5a s GLN 419 Cb 0.03 -4.21 0.02 0.00 -1.01 0.00 0.00 33.01 27.84 1f5a s GLN 419 CO 0.11 -1.30 1.05 -1.54 0.01 0.00 0.00 175.29 173.62 1f5a s SER 420 N 3.19 5.39 0.17 5.90 1.04 -1.26 -4.85 113.70 123.27 1f5a s SER 420 Ca 0.08 0.99 -0.18 0.00 0.48 0.00 0.00 55.95 57.32 1f5a s SER 420 Cb -0.25 -1.80 0.04 0.00 0.10 0.00 0.00 66.02 64.11 1f5a s SER 420 CO 0.07 -1.32 0.51 0.72 0.98 0.00 0.00 173.24 174.19 1f5a s PHE 421 N -3.28 -0.24 0.28 5.02 -0.12 -1.26 -5.04 117.98 113.33 1f5a s PHE 421 Ca 0.57 -0.07 -0.30 0.00 -0.05 0.00 0.00 56.93 57.08 1f5a s PHE 421 Cb -0.11 0.40 -0.12 0.00 -0.63 0.00 0.00 43.02 42.56 1f5a s PHE 421 CO 0.50 -0.85 1.54 -2.30 -0.05 0.00 0.00 175.22 174.06 1f5a n PRO 422 N -0.32 2.51 0.00 1.99 -0.02 -1.26 -4.54 135.00 133.35 1f5a n PRO 422 Ca -0.13 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1f5a n PRO 422 Cb 0.63 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1f5a n PRO 422 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f5a n ALA 423 N 2.12 0.00 0.00 3.55 0.00 -0.82 -4.97 120.51 120.39 1f5a n ALA 423 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1f5a n ALA 423 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1f5a n ALA 423 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f5a n LYS 430 N 0.00 0.00 -3.65 0.00 5.02 -1.26 -4.80 118.16 113.47 1f5a n LYS 430 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1f5a n LYS 430 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1f5a n LYS 430 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1f5a s GLU 431 N 0.00 3.23 0.22 1.97 2.02 -1.26 -5.07 118.70 119.81 1f5a s GLU 431 Ca 0.00 -3.26 -0.32 0.00 0.02 0.00 0.00 54.97 51.41 1f5a s GLU 431 Cb 0.00 -3.93 -0.14 0.00 0.10 0.00 0.00 34.13 30.16 1f5a s GLU 431 CO 0.00 -1.26 1.41 0.39 0.02 0.00 0.00 175.26 175.82 1f5a n GLU 432 N 2.35 1.97 -3.55 1.61 -0.58 -1.26 -4.95 120.64 116.23 1f5a n GLU 432 Ca 0.21 0.70 -0.27 0.00 -0.42 0.00 0.00 57.16 57.38 1f5a n GLU 432 Cb 0.37 -2.36 -0.10 0.00 -0.57 0.00 0.00 31.44 28.78 1f5a n GLU 432 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1f5a n PHE 433 N 2.08 1.06 -4.79 -0.32 3.72 -1.26 -5.07 117.46 112.89 1f5a n PHE 433 Ca 0.13 -3.77 -0.24 0.00 -0.05 0.00 0.00 57.45 53.51 1f5a n PHE 433 Cb 0.30 -0.20 -0.15 0.00 -0.94 0.00 0.00 39.48 38.49 1f5a n PHE 433 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1f5a s ARG 434 N -0.89 1.36 0.11 -1.08 1.70 -1.26 -2.37 118.95 116.52 1f5a s ARG 434 Ca 0.31 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 1f5a s ARG 434 Cb 0.04 -1.32 -0.00 0.00 -0.57 0.00 0.00 34.95 33.10 1f5a s ARG 434 CO -0.16 0.36 0.01 2.41 -1.08 0.00 0.00 175.30 176.84 1f5a n THR 435 N 2.64 0.00 -3.66 4.99 -1.04 0.27 -1.94 114.28 115.54 1f5a n THR 435 Ca -0.15 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 61.20 1f5a n THR 435 Cb 0.54 0.12 -0.06 0.00 -1.82 0.00 0.00 70.33 69.11 1f5a n THR 435 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1f5a s TRP 437 N -1.48 -0.28 -0.13 -1.42 0.51 -0.47 -1.15 118.94 114.52 1f5a s TRP 437 Ca 0.01 0.25 0.02 0.00 -2.12 0.00 0.00 56.10 54.27 1f5a s TRP 437 Cb 0.00 0.23 0.01 0.00 -0.81 0.00 0.00 33.47 32.90 1f5a s TRP 437 CO 0.01 -0.57 -0.20 0.08 -0.51 0.00 0.00 176.95 175.75 1f5a s VAL 438 N -2.44 1.86 -0.15 4.03 1.01 -1.26 -1.17 120.40 122.28 1f5a s VAL 438 Ca -0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1f5a s VAL 438 Cb -0.01 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1f5a s VAL 438 CO -0.02 0.51 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 1f5a s ILE 439 N 0.85 3.36 0.21 2.22 1.01 0.60 -2.10 121.20 127.34 1f5a s ILE 439 Ca -0.08 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 1f5a s ILE 439 Cb -0.15 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.78 1f5a s ILE 439 CO -0.01 0.50 0.78 -0.83 0.00 0.00 0.00 174.94 175.38 1f5a s GLY 440 N 0.56 2.80 0.12 6.18 0.00 0.14 -1.25 107.32 115.87 1f5a s GLY 440 Ca -0.06 0.32 0.08 0.00 0.00 0.00 0.00 44.72 45.06 1f5a s GLY 440 CO 0.03 0.76 -0.20 1.08 0.00 0.00 0.00 173.10 174.78 1f5a s LEU 441 N -1.56 2.34 -0.06 0.66 1.43 -0.19 0.14 118.68 121.43 1f5a s LEU 441 Ca 0.40 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1f5a s LEU 441 Cb -0.20 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1f5a s LEU 441 CO 0.24 0.02 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 1f5a s VAL 442 N -1.42 0.52 0.24 -1.59 1.01 -0.94 -4.18 120.40 114.04 1f5a s VAL 442 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1f5a s VAL 442 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1f5a s VAL 442 CO 0.05 0.24 0.46 -0.36 0.00 0.00 0.00 175.10 175.49 1f5a s PHE 443 N 1.26 3.48 0.11 5.22 0.08 -1.26 -0.51 117.98 126.37 1f5a s PHE 443 Ca -0.06 0.42 -0.08 0.00 0.12 0.00 0.00 56.93 57.34 1f5a s PHE 443 Cb -0.14 -1.93 -0.14 0.00 -0.57 0.00 0.00 43.02 40.25 1f5a s PHE 443 CO -0.02 0.29 1.27 1.57 -0.10 0.00 0.00 175.22 178.23 1f5a h LYS 444 N 1.75 0.52 0.00 0.44 2.10 -1.20 -3.43 116.57 116.76 1f5a h LYS 444 Ca -0.48 -0.55 0.00 0.00 -2.00 0.00 0.00 60.65 57.62 1f5a h LYS 444 Cb 1.19 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1f5a h LYS 444 CO 0.67 1.18 0.00 -3.47 -2.00 0.00 0.00 179.45 175.83 1f5a n ASP 455 N -3.79 0.00 -0.00 7.07 2.03 -1.26 -5.07 116.55 115.53 1f5a n ASP 455 Ca -0.08 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.25 1f5a n ASP 455 Cb 0.84 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.22 1f5a n ASP 455 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1f5a n LEU 456 N 0.00 0.18 -0.32 -2.67 4.77 -1.26 -4.74 117.00 112.96 1f5a n LEU 456 Ca 0.00 -0.48 0.19 0.00 -0.03 0.00 0.00 56.01 55.69 1f5a n LEU 456 Cb 0.00 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 1f5a n LEU 456 CO 0.00 0.04 1.04 0.71 -1.33 0.00 0.00 177.39 177.85 1f5a h THR 457 N 0.00 0.31 -0.53 -5.08 1.35 -1.99 -0.74 112.91 106.23 1f5a h THR 457 Ca 0.00 -0.09 -0.06 0.00 -0.55 0.00 0.00 66.41 65.71 1f5a h THR 457 Cb 0.10 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.50 1f5a h THR 457 CO 0.00 0.05 0.12 0.22 -0.25 0.00 0.00 175.52 175.66 1f5a h TYR 458 N 0.28 0.90 -0.29 4.73 3.20 -1.98 0.30 116.97 124.10 1f5a h TYR 458 Ca 0.65 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 62.34 1f5a h TYR 458 Cb 1.42 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1f5a h TYR 458 CO -0.13 0.80 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.68 1f5a h ASP 459 N 0.75 0.57 0.01 -2.11 3.32 -1.50 0.91 116.42 118.37 1f5a h ASP 459 Ca 0.16 -0.37 -0.14 0.00 0.02 0.00 0.00 57.03 56.71 1f5a h ASP 459 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1f5a h ASP 459 CO 0.00 0.81 -0.44 0.16 -1.72 0.00 0.00 179.24 178.05 1f5a h ILE 460 N 0.33 1.31 -0.50 0.35 3.07 -1.40 0.45 117.51 121.12 1f5a h ILE 460 Ca 0.07 -1.63 -0.09 0.00 1.55 0.00 0.00 64.86 64.77 1f5a h ILE 460 Cb 0.56 1.63 -0.02 0.00 -0.27 0.00 0.00 36.82 38.72 1f5a h ILE 460 CO 0.03 0.51 -0.03 1.56 -1.05 0.00 0.00 178.15 179.17 1f5a h GLN 461 N 0.42 0.90 -0.79 0.16 1.08 -0.86 -0.49 115.11 115.53 1f5a h GLN 461 Ca 0.03 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1f5a h GLN 461 Cb 0.94 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.26 1f5a h GLN 461 CO 0.08 0.94 0.50 1.03 -0.95 0.00 0.00 178.83 180.44 1f5a h SER 462 N 0.76 0.92 -0.02 1.46 0.87 -0.47 -1.83 113.55 115.24 1f5a h SER 462 Ca 0.14 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1f5a h SER 462 Cb 0.56 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1f5a h SER 462 CO 0.03 0.69 0.01 0.15 -0.53 0.00 0.00 176.83 177.18 1f5a h PHE 463 N 1.07 0.03 -1.00 2.24 3.57 -0.41 -2.15 116.94 120.29 1f5a h PHE 463 Ca 0.29 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1f5a h PHE 463 Cb -0.09 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1f5a h PHE 463 CO -0.01 0.19 0.66 1.79 -2.23 0.00 0.00 178.31 178.71 1f5a h THR 464 N -0.14 1.19 -0.72 4.41 1.35 -0.89 -0.52 112.91 117.59 1f5a h THR 464 Ca 0.01 -0.44 -0.04 0.00 -0.55 0.00 0.00 66.41 65.38 1f5a h THR 464 Cb 0.18 -0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 66.35 1f5a h THR 464 CO -0.00 0.24 0.28 0.44 -0.25 0.00 0.00 175.52 176.22 1f5a h ASP 465 N 1.29 1.01 -0.61 5.36 3.32 -1.19 -1.51 116.42 124.08 1f5a h ASP 465 Ca 0.39 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1f5a h ASP 465 Cb -0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1f5a h ASP 465 CO -0.12 0.92 0.12 0.74 -1.72 0.00 0.00 179.24 179.17 1f5a h THR 466 N 1.05 1.26 -0.20 0.35 2.02 -0.70 0.48 112.91 117.15 1f5a h THR 466 Ca 0.24 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1f5a h THR 466 Cb 0.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1f5a h THR 466 CO -0.02 0.37 0.06 0.58 0.37 0.00 0.00 175.52 176.88 1f5a h VAL 467 N 0.97 1.19 -0.61 3.16 2.07 -0.71 -0.66 116.25 121.66 1f5a h VAL 467 Ca 0.20 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1f5a h VAL 467 Cb 0.40 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1f5a h VAL 467 CO 0.01 0.19 0.25 1.88 0.02 0.00 0.00 177.57 179.92 1f5a h TYR 468 N 0.16 0.92 0.13 1.57 0.05 -1.13 -2.05 116.97 116.62 1f5a h TYR 468 Ca 0.07 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1f5a h TYR 468 Cb 0.23 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1f5a h TYR 468 CO 0.00 0.73 -0.06 -0.09 -1.05 0.00 0.00 178.16 177.69 1f5a h ARG 469 N 0.85 -0.17 -0.54 4.88 2.43 -0.72 -2.00 114.38 119.12 1f5a h ARG 469 Ca 0.20 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1f5a h ARG 469 Cb 0.20 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1f5a h ARG 469 CO -0.02 0.06 0.15 1.96 -1.51 0.00 0.00 179.97 180.61 1f5a h GLN 470 N -0.37 0.85 0.00 0.20 4.20 -1.15 0.78 115.11 119.61 1f5a h GLN 470 Ca -0.02 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1f5a h GLN 470 Cb 0.30 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1f5a h GLN 470 CO 0.03 0.79 -0.11 0.00 -0.67 0.00 0.00 178.83 178.87 1f5a h ALA 471 N 1.02 1.51 0.13 3.87 0.00 -1.36 -0.70 119.26 123.73 1f5a h ALA 471 Ca 0.17 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.62 1f5a h ALA 471 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1f5a h ALA 471 CO -0.00 0.14 -1.93 0.82 0.00 0.00 0.00 179.25 178.28 1f5a h ILE 472 N 0.00 0.69 -0.19 0.00 2.04 -1.03 -1.11 117.51 117.91 1f5a h ILE 472 Ca -0.00 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 1f5a h ILE 472 Cb 0.24 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1f5a h ILE 472 CO 0.01 0.88 -0.05 0.78 0.00 0.00 0.00 178.15 179.77 1f5a h ASN 473 N 0.04 0.26 -0.56 1.72 2.35 -0.62 -1.88 115.58 116.89 1f5a h ASN 473 Ca -0.41 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.07 1f5a h ASN 473 Cb 2.02 -0.07 -0.14 0.00 0.05 0.00 0.00 38.32 40.19 1f5a h ASN 473 CO 0.09 0.36 0.29 -1.54 -1.65 0.00 0.00 177.43 174.98 1f5a n SER 474 N -4.33 3.69 -3.25 5.81 3.41 -0.29 -5.09 113.62 113.58 1f5a n SER 474 Ca -0.00 -2.90 -0.23 0.00 -0.26 0.00 0.00 58.87 55.48 1f5a n SER 474 Cb 0.22 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1f5a n SER 474 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1f5a n LYS 475 N -0.25 -1.87 -1.13 4.33 4.76 -0.71 -5.01 118.16 118.28 1f5a n LYS 475 Ca 0.32 1.57 0.00 0.00 -2.87 0.00 0.00 58.31 57.34 1f5a n LYS 475 Cb 1.14 -2.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1f5a n LYS 475 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1f5a n PHE 477 N 0.11 -3.12 -4.79 2.13 7.35 -0.42 -5.03 117.46 113.69 1f5a n PHE 477 Ca -0.02 1.67 -0.27 0.00 -0.76 0.00 0.00 57.45 58.07 1f5a n PHE 477 Cb 0.55 -2.78 -0.15 0.00 0.35 0.00 0.00 39.48 37.46 1f5a n PHE 477 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1f5a s GLU 478 N -4.53 1.54 0.22 -4.13 2.56 -1.26 -4.99 118.70 108.10 1f5a s GLU 478 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 54.97 53.74 1f5a s GLU 478 Cb 0.00 -1.61 -0.14 0.00 2.00 0.00 0.00 34.13 34.38 1f5a s GLU 478 CO 0.00 0.42 1.43 0.28 -0.56 0.00 0.00 175.26 176.83 1f5a n VAL 479 N 2.04 0.77 -1.88 3.70 0.31 -1.26 -4.88 118.33 117.13 1f5a n VAL 479 Ca -0.17 -0.19 -0.02 0.00 -0.01 0.00 0.00 64.34 63.96 1f5a n VAL 479 Cb 0.53 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 1f5a n VAL 479 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1f5a n ASP 480 N 2.36 -2.01 0.00 4.52 8.00 -1.26 -4.72 116.55 123.45 1f5a n ASP 480 Ca 0.13 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1f5a n ASP 480 Cb 0.31 -2.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 1f5a n ASP 480 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1f5a n LYS 482 N 0.50 0.00 -3.72 -1.24 5.02 -0.11 -4.19 118.16 114.43 1f5a n LYS 482 Ca -0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1f5a n LYS 482 Cb 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.05 1f5a n LYS 482 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1f5a s ILE 483 N -2.00 -0.09 -0.01 -0.18 2.07 -1.25 -0.72 121.20 119.02 1f5a s ILE 483 Ca 0.00 0.17 -0.11 0.00 -1.41 0.00 0.00 60.65 59.30 1f5a s ILE 483 Cb 0.00 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.22 1f5a s ILE 483 CO 0.00 0.07 0.23 0.00 -1.91 0.00 0.00 174.94 173.33 1f5a s ALA 484 N 1.41 -0.58 0.24 1.50 0.00 -0.34 -4.96 121.76 119.04 1f5a s ALA 484 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1f5a s ALA 484 Cb -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1f5a s ALA 484 CO -0.08 -0.23 0.11 0.00 0.00 0.00 0.00 175.76 175.56 1f5a n ALA 485 N 1.48 0.37 -2.45 0.00 0.00 -1.26 -0.11 120.51 118.55 1f5a n ALA 485 Ca -0.21 -1.26 -0.26 0.00 0.00 0.00 0.00 53.44 51.71 1f5a n ALA 485 Cb 0.56 0.88 -0.15 0.00 0.00 0.00 0.00 19.45 20.74 1f5a n ALA 485 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1f5a s HIS 487 N -2.56 1.83 0.02 0.00 2.46 -1.26 -4.95 115.29 110.82 1f5a s HIS 487 Ca 0.15 -0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.29 1f5a s HIS 487 Cb 0.01 -1.14 -0.02 0.00 -0.13 0.00 0.00 32.58 31.30 1f5a s HIS 487 CO 0.11 0.02 0.04 0.08 -2.47 0.00 0.00 174.74 172.52 1f5a s VAL 488 N -0.61 0.12 0.23 0.89 1.01 0.15 -4.96 120.40 117.22 1f5a s VAL 488 Ca 0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1f5a s VAL 488 Cb -0.08 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1f5a s VAL 488 CO 0.00 -0.56 0.50 -0.54 0.00 0.00 0.00 175.10 174.51 1f5a s LYS 489 N -2.05 3.70 0.24 2.72 1.02 -1.26 -0.06 119.74 124.04 1f5a s LYS 489 Ca -0.10 0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.88 1f5a s LYS 489 Cb -0.05 -2.70 0.37 0.00 -0.52 0.00 0.00 37.83 34.93 1f5a s LYS 489 CO -0.02 0.32 1.60 -0.09 -0.92 0.00 0.00 175.35 176.24 1f5a h ARG 490 N 2.32 0.02 -0.46 1.68 2.43 -1.43 -0.10 114.38 118.83 1f5a h ARG 490 Ca -0.47 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.80 1f5a h ARG 490 Cb 1.18 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1f5a h ARG 490 CO 0.69 0.01 0.32 0.87 -1.51 0.00 0.00 179.97 180.35 1f5a h LYS 491 N 0.02 0.19 -0.58 0.20 1.79 -1.92 -2.30 116.57 113.97 1f5a h LYS 491 Ca 0.39 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1f5a h LYS 491 Cb 0.63 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1f5a h LYS 491 CO -0.79 0.13 0.00 0.00 -1.08 0.00 0.00 179.45 177.71 1f5a n GLN 492 N -4.45 3.90 0.06 3.15 10.64 -0.07 -4.29 117.38 126.32 1f5a n GLN 492 Ca 0.07 -2.92 -0.06 0.00 -1.83 0.00 0.00 57.00 52.26 1f5a n GLN 492 Cb 0.39 -1.95 -0.11 0.00 -0.86 0.00 0.00 30.24 27.71 1f5a n GLN 492 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1f5a h LEU 493 N 3.75 0.00 -0.49 2.61 6.46 -1.22 -3.35 115.31 123.07 1f5a h LEU 493 Ca 0.00 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1f5a h LEU 493 Cb 1.55 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 41.38 1f5a h LEU 493 CO 0.28 0.96 -0.28 0.45 -0.62 0.00 0.00 178.44 179.23 1f5a h HIS 494 N 0.00 -0.76 0.00 1.25 -0.00 -1.75 -0.01 115.15 113.88 1f5a h HIS 494 Ca -0.04 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1f5a h HIS 494 Cb 1.77 0.40 0.00 0.00 -0.00 0.00 0.00 27.41 29.58 1f5a h HIS 494 CO 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 177.93 177.58 1f5a n GLN 495 N -5.42 0.11 -2.37 2.45 10.64 -1.26 -2.69 117.38 118.84 1f5a n GLN 495 Ca 0.03 0.61 -0.28 0.00 -1.83 0.00 0.00 57.00 55.52 1f5a n GLN 495 Cb 0.33 -1.86 0.01 0.00 -0.86 0.00 0.00 30.24 27.86 1f5a n GLN 495 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1f5a n LEU 496 N -2.10 5.07 0.00 2.61 4.77 -0.02 -4.94 117.00 122.39 1f5a n LEU 496 Ca -0.01 -5.14 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 1f5a n LEU 496 Cb 0.03 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1f5a n LEU 496 CO 0.08 2.17 0.00 0.18 -1.33 0.00 0.00 177.39 178.49 1f5a n LEU 497 N -0.51 0.00 0.00 2.23 4.32 -1.10 -5.04 117.00 116.91 1f5a n LEU 497 Ca 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1f5a n LEU 497 Cb 0.63 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1f5a n LEU 497 CO 0.36 0.00 0.00 -2.65 -1.22 0.00 0.00 177.39 173.88