#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy4 n GLY 12 N 0.00 -0.80 3.78 0.46 0.00 -1.26 -4.94 105.19 102.42 2fy4 n GLY 12 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2fy4 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fy4 s LEU 13 N -2.79 3.66 0.66 0.99 1.43 -1.26 -5.02 118.68 116.36 2fy4 s LEU 13 Ca 0.15 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.19 2fy4 s LEU 13 Cb 0.18 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 2fy4 s LEU 13 CO 0.68 -1.23 1.06 -2.16 0.23 0.00 0.00 176.35 174.93 2fy4 s PRO 14 N -3.53 3.03 0.38 1.29 0.04 -1.26 -4.66 135.00 130.29 2fy4 s PRO 14 Ca 0.70 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 2fy4 s PRO 14 Cb -0.21 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 2fy4 s PRO 14 CO 0.30 -1.03 0.88 0.15 0.04 0.00 0.00 177.00 177.34 2fy4 s LYS 15 N -4.66 4.22 0.05 4.56 1.02 -1.26 -2.19 119.74 121.47 2fy4 s LYS 15 Ca 0.60 1.02 -0.35 0.00 0.02 0.00 0.00 55.97 57.26 2fy4 s LYS 15 Cb -0.15 -2.36 -0.14 0.00 -0.52 0.00 0.00 37.83 34.66 2fy4 s LYS 15 CO 0.48 0.08 1.63 -0.11 -0.92 0.00 0.00 175.35 176.51 2fy4 n LEU 16 N -0.34 2.87 -4.78 3.17 7.94 -1.26 -4.89 117.00 119.71 2fy4 n LEU 16 Ca 0.05 1.06 -0.32 0.00 -1.11 0.00 0.00 56.01 55.69 2fy4 n LEU 16 Cb 0.53 -1.35 0.06 0.00 0.53 0.00 0.00 43.42 43.19 2fy4 n LEU 16 CO 0.39 -0.37 0.72 -2.16 -1.11 0.00 0.00 177.39 174.86 2fy4 s PRO 17 N 1.85 2.73 -0.39 1.96 0.04 -1.26 -4.87 135.00 135.05 2fy4 s PRO 17 Ca 0.85 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 2fy4 s PRO 17 Cb -0.76 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 31.89 2fy4 s PRO 17 CO 0.45 -1.29 0.21 0.08 0.04 0.00 0.00 177.00 176.49 2fy4 s VAL 18 N -2.58 4.14 0.70 -0.36 1.01 -1.26 -4.94 120.40 117.10 2fy4 s VAL 18 Ca 0.64 -1.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2fy4 s VAL 18 Cb -0.18 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2fy4 s VAL 18 CO 0.46 -0.38 1.23 -2.16 0.00 0.00 0.00 175.10 174.25 2fy4 s PRO 19 N 1.43 2.31 0.50 2.72 0.04 -1.26 -4.93 135.00 135.80 2fy4 s PRO 19 Ca 0.02 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 2fy4 s PRO 19 Cb -0.21 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2fy4 s PRO 19 CO 0.03 -1.73 1.30 -1.25 0.04 0.00 0.00 177.00 175.39 2fy4 s PRO 20 N -3.72 3.45 0.10 0.56 0.04 -1.26 -4.91 135.00 129.26 2fy4 s PRO 20 Ca 0.77 2.10 -0.28 0.00 0.04 0.00 0.00 61.00 63.63 2fy4 s PRO 20 Cb -0.31 -2.38 -0.11 0.00 0.04 0.00 0.00 34.50 31.73 2fy4 s PRO 20 CO 0.43 -0.90 1.64 1.25 0.04 0.00 0.00 177.00 179.46 2fy4 h LEU 21 N 1.83 -0.69 -1.66 -3.56 5.85 -1.98 -2.70 115.31 112.39 2fy4 h LEU 21 Ca -0.50 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.34 2fy4 h LEU 21 Cb 1.28 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 2fy4 h LEU 21 CO 0.59 -0.37 0.33 1.56 -0.34 0.00 0.00 178.44 180.21 2fy4 h GLN 22 N -0.53 0.41 -0.18 1.25 1.08 -1.94 -1.18 115.11 114.02 2fy4 h GLN 22 Ca -0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2fy4 h GLN 22 Cb 0.50 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2fy4 h GLN 22 CO -0.07 0.27 0.04 0.37 -0.95 0.00 0.00 178.83 178.49 2fy4 h GLN 23 N 0.42 0.29 -0.57 1.46 4.15 -1.87 -1.11 115.11 117.88 2fy4 h GLN 23 Ca 0.21 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 2fy4 h GLN 23 Cb 0.30 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2fy4 h GLN 23 CO -0.05 0.43 -0.01 1.15 -1.93 0.00 0.00 178.83 178.42 2fy4 h THR 24 N 0.10 1.26 -0.36 2.39 2.02 -1.11 -1.40 112.91 115.81 2fy4 h THR 24 Ca 0.06 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 2fy4 h THR 24 Cb 0.27 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2fy4 h THR 24 CO 0.00 0.41 -0.06 -0.07 0.37 0.00 0.00 175.52 176.17 2fy4 h LEU 25 N 0.91 0.68 -0.21 2.58 3.38 -1.15 0.28 115.31 121.77 2fy4 h LEU 25 Ca 0.16 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2fy4 h LEU 25 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2fy4 h LEU 25 CO 0.03 0.87 0.11 0.00 0.09 0.00 0.00 178.44 179.53 2fy4 h ALA 26 N 0.84 0.28 -0.56 1.53 0.00 -1.10 -2.29 119.26 117.95 2fy4 h ALA 26 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2fy4 h ALA 26 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2fy4 h ALA 26 CO 0.03 -0.17 0.37 1.15 0.00 0.00 0.00 179.25 180.63 2fy4 h THR 27 N 0.22 1.13 0.14 0.00 2.02 -1.15 -1.89 112.91 113.38 2fy4 h THR 27 Ca 0.07 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2fy4 h THR 27 Cb 0.11 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2fy4 h THR 27 CO -0.01 0.14 -0.40 0.22 0.37 0.00 0.00 175.52 175.84 2fy4 h TYR 28 N 0.75 -1.12 -0.55 3.16 3.20 -0.72 0.15 116.97 121.83 2fy4 h TYR 28 Ca 0.21 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.16 2fy4 h TYR 28 Cb -0.06 0.47 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 2fy4 h TYR 28 CO -0.04 -0.51 0.27 -0.07 -1.64 0.00 0.00 178.16 176.18 2fy4 h LEU 29 N -0.65 0.38 -1.18 2.82 3.38 -1.27 -1.64 115.31 117.15 2fy4 h LEU 29 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2fy4 h LEU 29 Cb 0.67 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2fy4 h LEU 29 CO -0.22 0.26 0.35 -0.61 0.09 0.00 0.00 178.44 178.31 2fy4 h GLN 30 N 0.52 0.92 -0.11 1.13 5.75 -0.95 -0.18 115.11 122.20 2fy4 h GLN 30 Ca 0.25 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.60 2fy4 h GLN 30 Cb 0.18 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2fy4 h GLN 30 CO -0.18 0.68 -0.16 0.00 -2.65 0.00 0.00 178.83 176.52 2fy4 n MET 32 N -4.27 1.44 -0.17 0.00 2.81 -0.84 -4.65 117.12 111.44 2fy4 n MET 32 Ca -0.01 -0.04 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 2fy4 n MET 32 Cb 0.27 -1.28 0.05 0.00 -0.71 0.00 0.00 33.22 31.55 2fy4 n MET 32 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2fy4 h ARG 33 N 0.00 0.02 0.00 0.03 2.43 -1.12 0.19 114.38 115.94 2fy4 h ARG 33 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2fy4 h ARG 33 Cb 0.47 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2fy4 h ARG 33 CO 0.00 0.02 0.00 -2.39 -1.51 0.00 0.00 179.97 176.09 2fy4 n HIS 34 N -5.34 0.00 0.13 2.20 1.44 -1.26 -3.28 115.22 109.10 2fy4 n HIS 34 Ca 0.05 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.84 2fy4 n HIS 34 Cb 0.28 -0.07 0.15 0.00 0.12 0.00 0.00 29.99 30.47 2fy4 n HIS 34 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2fy4 n LEU 35 N -1.07 2.89 -4.15 2.39 4.77 0.04 -4.99 117.00 116.87 2fy4 n LEU 35 Ca 0.20 -1.59 -0.10 0.00 -0.03 0.00 0.00 56.01 54.50 2fy4 n LEU 35 Cb 0.14 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 2fy4 n LEU 35 CO 0.18 0.66 -0.29 0.68 -1.33 0.00 0.00 177.39 177.29 2fy4 s VAL 36 N -1.13 0.11 0.81 4.08 -7.23 -1.09 -5.03 120.40 110.92 2fy4 s VAL 36 Ca 0.27 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 2fy4 s VAL 36 Cb 0.15 -2.08 0.08 0.00 0.56 0.00 0.00 36.38 35.10 2fy4 s VAL 36 CO 0.21 -0.43 1.11 -0.94 -0.31 0.00 0.00 175.10 174.74 2fy4 s SER 37 N -3.06 4.03 0.14 4.85 1.04 -1.26 -4.80 113.70 114.64 2fy4 s SER 37 Ca 0.25 1.96 -0.16 0.00 0.48 0.00 0.00 55.95 58.48 2fy4 s SER 37 Cb 0.07 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2fy4 s SER 37 CO 0.03 -2.36 1.77 -0.33 0.98 0.00 0.00 173.24 173.32 2fy4 h GLU 38 N -1.28 0.54 -0.02 4.02 5.08 -1.99 0.01 114.58 120.93 2fy4 h GLU 38 Ca -0.44 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2fy4 h GLU 38 Cb 1.25 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2fy4 h GLU 38 CO 0.48 0.41 -0.18 1.49 -1.00 0.00 0.00 179.01 180.21 2fy4 h GLU 39 N 0.51 -0.28 -0.86 2.33 4.81 -2.00 -0.31 114.58 118.79 2fy4 h GLU 39 Ca 0.14 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2fy4 h GLU 39 Cb 0.02 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2fy4 h GLU 39 CO -0.03 -0.18 0.52 0.37 -0.73 0.00 0.00 179.01 178.96 2fy4 h GLN 40 N -0.29 1.16 -0.53 1.92 4.15 -1.88 -2.20 115.11 117.45 2fy4 h GLN 40 Ca 0.06 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2fy4 h GLN 40 Cb 0.37 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2fy4 h GLN 40 CO -0.19 0.81 0.21 0.35 -1.93 0.00 0.00 178.83 178.09 2fy4 h PHE 41 N 1.18 0.80 -0.61 3.99 3.57 -0.35 -0.85 116.94 124.68 2fy4 h PHE 41 Ca 0.31 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2fy4 h PHE 41 Cb -0.05 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 2fy4 h PHE 41 CO 0.00 0.66 0.34 0.00 -2.23 0.00 0.00 178.31 177.09 2fy4 h ARG 42 N 0.71 0.64 -0.77 1.11 3.08 -0.60 0.26 114.38 118.80 2fy4 h ARG 42 Ca 0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2fy4 h ARG 42 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2fy4 h ARG 42 CO -0.01 0.42 0.33 0.87 -1.07 0.00 0.00 179.97 180.51 2fy4 h LYS 43 N 0.65 1.14 -0.59 0.04 1.57 -1.05 -2.41 116.57 115.93 2fy4 h LYS 43 Ca 0.26 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2fy4 h LYS 43 Cb 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2fy4 h LYS 43 CO -0.15 0.91 -0.04 0.77 -0.57 0.00 0.00 179.45 180.37 2fy4 h SER 44 N 1.11 1.05 -0.33 0.86 0.02 -0.19 -0.93 113.55 115.14 2fy4 h SER 44 Ca 0.26 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2fy4 h SER 44 Cb 0.18 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 2fy4 h SER 44 CO -0.03 1.12 -0.02 1.56 -1.14 0.00 0.00 176.83 178.33 2fy4 h GLN 45 N 0.96 0.07 -0.64 3.45 4.20 -0.18 0.13 115.11 123.10 2fy4 h GLN 45 Ca 0.16 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 2fy4 h GLN 45 Cb 0.61 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2fy4 h GLN 45 CO 0.04 0.05 0.08 0.00 -0.67 0.00 0.00 178.83 178.32 2fy4 h ALA 46 N 1.29 0.85 -0.47 3.87 0.00 -1.26 -0.12 119.26 123.43 2fy4 h ALA 46 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2fy4 h ALA 46 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2fy4 h ALA 46 CO -0.28 0.63 0.26 0.82 0.00 0.00 0.00 179.25 180.69 2fy4 h ILE 47 N 0.98 1.16 -0.33 0.00 2.04 -0.37 -1.87 117.51 119.12 2fy4 h ILE 47 Ca 0.19 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2fy4 h ILE 47 Cb 0.47 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2fy4 h ILE 47 CO 0.02 0.17 -0.03 0.58 0.00 0.00 0.00 178.15 178.88 2fy4 h VAL 48 N 0.62 1.27 -0.57 1.67 2.07 -0.58 -1.44 116.25 119.29 2fy4 h VAL 48 Ca 0.17 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.75 2fy4 h VAL 48 Cb 0.03 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2fy4 h VAL 48 CO -0.03 0.34 0.18 -0.61 0.02 0.00 0.00 177.57 177.46 2fy4 h GLN 49 N 0.41 0.33 -0.38 1.57 -0.00 -0.88 0.09 115.11 116.24 2fy4 h GLN 49 Ca 0.09 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.60 2fy4 h GLN 49 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 2fy4 h GLN 49 CO 0.02 0.22 -0.25 0.37 0.00 0.00 0.00 178.83 179.19 2fy4 h GLN 50 N 0.34 0.77 -0.29 1.69 4.15 -1.17 -2.36 115.11 118.22 2fy4 h GLN 50 Ca 0.29 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2fy4 h GLN 50 Cb 0.37 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2fy4 h GLN 50 CO -0.32 0.94 0.04 0.35 -1.93 0.00 0.00 178.83 177.91 2fy4 h PHE 51 N 0.66 0.52 -0.49 3.99 3.57 -0.36 -3.22 116.94 121.62 2fy4 h PHE 51 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2fy4 h PHE 51 Cb 0.77 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2fy4 h PHE 51 CO 0.04 0.59 0.00 0.41 -2.23 0.00 0.00 178.31 177.12 2fy4 n GLY 52 N -0.45 2.33 3.77 2.40 0.00 -0.07 -0.38 105.19 112.79 2fy4 n GLY 52 Ca -0.03 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2fy4 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fy4 s ALA 53 N -1.98 2.50 0.14 4.61 0.00 -0.89 -4.84 121.76 121.29 2fy4 s ALA 53 Ca 0.41 0.54 -0.35 0.00 0.00 0.00 0.00 51.96 52.56 2fy4 s ALA 53 Cb 0.28 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.94 2fy4 s ALA 53 CO 0.17 -1.23 1.47 -2.30 0.00 0.00 0.00 175.76 173.87 2fy4 n PRO 54 N -2.37 1.76 -1.17 0.00 -0.02 -1.26 -0.34 135.00 131.60 2fy4 n PRO 54 Ca 0.10 0.63 -0.06 0.00 -2.02 0.00 0.00 63.50 62.16 2fy4 n PRO 54 Cb 0.52 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2fy4 n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fy4 n GLY 55 N 2.97 0.74 0.77 -1.23 0.00 -1.26 -4.99 105.19 102.19 2fy4 n GLY 55 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2fy4 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy4 n GLY 56 N -1.05 0.09 0.17 -0.02 0.00 0.54 -4.93 105.19 99.99 2fy4 n GLY 56 Ca -0.06 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 2fy4 n GLY 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2fy4 h LEU 57 N 0.00 0.46 -0.58 0.99 5.85 -1.83 -2.86 115.31 117.35 2fy4 h LEU 57 Ca -0.07 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.57 2fy4 h LEU 57 Cb 0.24 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 2fy4 h LEU 57 CO 0.07 0.53 -0.11 1.23 -0.34 0.00 0.00 178.44 179.82 2fy4 h GLY 58 N 0.37 0.47 1.71 3.75 0.00 -1.03 0.25 103.07 108.58 2fy4 h GLY 58 Ca 0.11 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 2fy4 h GLY 58 CO -0.01 -0.21 -0.21 0.83 0.00 0.00 0.00 176.54 176.95 2fy4 h GLU 59 N 0.03 0.35 -0.29 4.80 5.08 -1.74 0.07 114.58 122.87 2fy4 h GLU 59 Ca 0.28 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2fy4 h GLU 59 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2fy4 h GLU 59 CO -0.57 0.55 0.03 1.15 -1.00 0.00 0.00 179.01 179.17 2fy4 h THR 60 N 0.32 1.24 -0.45 1.13 2.02 -0.87 -1.97 112.91 114.33 2fy4 h THR 60 Ca 0.05 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.28 2fy4 h THR 60 Cb 0.55 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2fy4 h THR 60 CO 0.04 0.27 -0.16 -0.07 0.37 0.00 0.00 175.52 175.97 2fy4 h LEU 61 N 0.30 0.86 -0.78 2.58 3.38 -0.70 -2.50 115.31 118.45 2fy4 h LEU 61 Ca 0.09 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2fy4 h LEU 61 Cb 0.37 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2fy4 h LEU 61 CO 0.01 1.01 0.51 -0.61 0.09 0.00 0.00 178.44 179.45 2fy4 h GLN 62 N 0.76 1.00 -0.68 1.13 5.75 -0.87 -0.29 115.11 121.91 2fy4 h GLN 62 Ca 0.12 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2fy4 h GLN 62 Cb 0.68 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2fy4 h GLN 62 CO 0.05 0.66 0.29 0.37 -2.65 0.00 0.00 178.83 177.55 2fy4 h GLN 63 N 1.03 1.01 -0.08 1.69 5.75 -1.13 -0.77 115.11 122.60 2fy4 h GLN 63 Ca 0.29 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2fy4 h GLN 63 Cb -0.08 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 2fy4 h GLN 63 CO -0.08 0.83 -0.16 0.87 -2.65 0.00 0.00 178.83 177.63 2fy4 h LYS 64 N 0.96 0.13 -0.27 1.69 1.57 -0.94 -1.51 116.57 118.20 2fy4 h LYS 64 Ca 0.23 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.80 2fy4 h LYS 64 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2fy4 h LYS 64 CO -0.02 0.30 -0.54 1.25 -0.57 0.00 0.00 179.45 179.87 2fy4 h LEU 65 N 0.13 0.94 -1.04 2.94 5.85 -0.11 -0.81 115.31 123.22 2fy4 h LEU 65 Ca 0.03 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2fy4 h LEU 65 Cb 0.37 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2fy4 h LEU 65 CO 0.02 1.31 0.36 -0.07 -0.34 0.00 0.00 178.44 179.72 2fy4 h LEU 66 N 0.62 0.93 -0.54 2.25 3.38 -0.67 0.32 115.31 121.60 2fy4 h LEU 66 Ca 0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2fy4 h LEU 66 Cb 1.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2fy4 h LEU 66 CO 0.12 0.78 0.05 -0.33 0.09 0.00 0.00 178.44 179.15 2fy4 h GLU 67 N 1.03 0.93 -0.65 1.13 5.08 -1.09 -1.91 114.58 119.10 2fy4 h GLU 67 Ca 0.25 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2fy4 h GLU 67 Cb 0.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2fy4 h GLU 67 CO -0.03 0.92 0.13 -0.09 -1.00 0.00 0.00 179.01 178.94 2fy4 h ARG 68 N 0.81 1.06 -0.91 2.33 2.43 -0.33 -1.60 114.38 118.17 2fy4 h ARG 68 Ca 0.16 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2fy4 h ARG 68 Cb 0.46 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 2fy4 h ARG 68 CO 0.02 0.96 0.59 0.37 -1.51 0.00 0.00 179.97 180.40 2fy4 h GLN 69 N 0.98 1.10 -0.36 0.20 4.15 -0.06 -0.39 115.11 120.73 2fy4 h GLN 69 Ca 0.20 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.41 2fy4 h GLN 69 Cb 0.40 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2fy4 h GLN 69 CO 0.01 0.73 -0.36 1.49 -1.93 0.00 0.00 178.83 178.76 2fy4 h GLU 70 N 1.13 0.83 0.00 1.69 4.81 -1.03 -3.20 114.58 118.80 2fy4 h GLU 70 Ca 0.37 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2fy4 h GLU 70 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2fy4 h GLU 70 CO -0.13 1.05 -0.12 1.63 -0.73 0.00 0.00 179.01 180.72 2fy4 n LYS 71 N -4.06 0.09 -4.38 1.92 5.02 -0.63 -4.89 118.16 111.23 2fy4 n LYS 71 Ca -0.02 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 2fy4 n LYS 71 Cb 0.52 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 2fy4 n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2fy4 s THR 72 N -3.04 1.52 0.16 -0.18 -4.23 -0.20 -5.04 115.64 104.63 2fy4 s THR 72 Ca 0.12 -2.12 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2fy4 s THR 72 Cb 0.17 -2.32 -0.13 0.00 1.34 0.00 0.00 72.50 71.55 2fy4 s THR 72 CO 0.59 -0.38 1.39 0.00 -0.54 0.00 0.00 174.62 175.67 2fy4 h ALA 73 N 2.39 0.53 -2.25 3.99 0.00 -1.88 -3.43 119.26 118.62 2fy4 h ALA 73 Ca -0.39 -0.65 -0.25 0.00 0.00 0.00 0.00 54.91 53.62 2fy4 h ALA 73 Cb 1.23 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.63 2fy4 h ALA 73 CO 0.65 0.80 -0.57 1.21 0.00 0.00 0.00 179.25 181.35 2fy4 s ASN 74 N -6.99 0.94 0.00 0.00 3.84 -1.26 -4.53 114.94 106.93 2fy4 s ASN 74 Ca -0.05 -0.08 0.05 0.00 0.21 0.00 0.00 52.86 52.99 2fy4 s ASN 74 Cb 0.10 0.68 0.26 0.00 -0.55 0.00 0.00 41.25 41.74 2fy4 s ASN 74 CO 0.84 -0.32 1.06 -2.67 -2.79 0.00 0.00 177.10 173.22 2fy4 n TRP 75 N 5.34 0.00 0.10 0.43 4.27 -1.26 -3.01 117.44 123.30 2fy4 n TRP 75 Ca -0.04 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.58 2fy4 n TRP 75 Cb 0.50 -0.35 -0.01 0.00 -1.36 0.00 0.00 31.31 30.08 2fy4 n TRP 75 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 2fy4 n VAL 76 N -1.35 0.00 -0.26 -1.67 3.14 -1.26 -4.78 118.33 112.16 2fy4 n VAL 76 Ca 0.02 -0.39 -0.03 0.00 -2.96 0.00 0.00 64.34 60.97 2fy4 n VAL 76 Cb 0.05 0.93 0.02 0.00 -1.06 0.00 0.00 33.84 33.78 2fy4 n VAL 76 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2fy4 h SER 77 N 0.00 -1.19 0.12 6.55 0.02 -1.90 0.27 113.55 117.41 2fy4 h SER 77 Ca 0.00 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2fy4 h SER 77 Cb 0.06 0.62 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2fy4 h SER 77 CO 0.00 -0.30 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.26 2fy4 h GLU 78 N -0.10 -0.15 -0.33 3.45 4.81 -1.86 -0.15 114.58 120.24 2fy4 h GLU 78 Ca 0.28 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2fy4 h GLU 78 Cb 0.57 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2fy4 h GLU 78 CO -0.77 0.06 0.22 1.88 -0.73 0.00 0.00 179.01 179.66 2fy4 h TYR 79 N -0.34 0.41 0.10 0.92 0.99 -1.75 -2.26 116.97 115.04 2fy4 h TYR 79 Ca -0.02 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 2fy4 h TYR 79 Cb 0.28 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 37.87 2fy4 h TYR 79 CO -0.01 0.26 -0.05 2.35 -0.00 0.00 0.00 178.16 180.71 2fy4 h TRP 80 N 0.45 -0.12 -0.93 4.88 7.01 -0.45 0.11 115.95 126.90 2fy4 h TRP 80 Ca 0.12 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.23 2fy4 h TRP 80 Cb -0.05 0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 26.97 2fy4 h TRP 80 CO -0.06 -0.04 0.56 1.25 -2.79 0.00 0.00 178.44 177.37 2fy4 h LEU 81 N -0.17 0.81 0.01 0.65 5.85 -0.92 0.22 115.31 121.77 2fy4 h LEU 81 Ca -0.01 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2fy4 h LEU 81 Cb 0.13 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2fy4 h LEU 81 CO 0.02 0.44 -0.38 0.78 -0.34 0.00 0.00 178.44 178.97 2fy4 h ASN 82 N 0.90 0.31 -0.62 1.25 2.35 -1.16 -1.85 115.58 116.77 2fy4 h ASN 82 Ca 0.46 -0.81 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 2fy4 h ASN 82 Cb 0.44 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 2fy4 h ASN 82 CO -0.26 1.08 0.06 -0.78 -1.65 0.00 0.00 177.43 175.87 2fy4 h ASP 83 N -0.42 1.02 0.16 5.81 3.58 -0.51 0.15 116.42 126.20 2fy4 h ASP 83 Ca -0.05 -0.28 -0.31 0.00 0.42 0.00 0.00 57.03 56.81 2fy4 h ASP 83 Cb 1.15 -0.27 0.03 0.00 1.72 0.00 0.00 39.33 41.96 2fy4 h ASP 83 CO 0.07 1.04 -1.30 -0.03 -2.88 0.00 0.00 179.24 176.15 2fy4 h MET 84 N 0.95 0.60 0.00 0.28 4.05 -0.70 -3.44 114.93 116.67 2fy4 h MET 84 Ca 0.18 -0.86 0.00 0.00 -0.28 0.00 0.00 59.70 58.74 2fy4 h MET 84 Cb 0.49 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2fy4 h MET 84 CO 0.02 1.40 0.00 0.66 0.23 0.00 0.00 176.91 179.22 2fy4 n TYR 85 N -3.78 -0.40 -0.32 1.39 4.02 -0.95 -4.80 117.16 112.32 2fy4 n TYR 85 Ca -0.15 0.07 0.20 0.00 -0.01 0.00 0.00 57.90 58.01 2fy4 n TYR 85 Cb 1.01 0.22 0.47 0.00 -0.02 0.00 0.00 39.34 41.02 2fy4 n TYR 85 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2fy4 h LEU 86 N 0.00 0.52 -0.57 7.72 3.38 -1.35 0.47 115.31 125.48 2fy4 h LEU 86 Ca 0.00 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2fy4 h LEU 86 Cb 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2fy4 h LEU 86 CO 0.00 0.13 -0.17 0.78 0.09 0.00 0.00 178.44 179.27 2fy4 h ASN 87 N 0.48 0.00 -2.60 -0.43 2.35 -0.94 -0.89 115.58 113.54 2fy4 h ASN 87 Ca 0.58 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.80 2fy4 h ASN 87 Cb 1.33 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.72 2fy4 h ASN 87 CO -0.31 0.17 1.06 0.21 -1.65 0.00 0.00 177.43 176.92 2fy4 s ASN 88 N -6.17 6.54 0.17 5.81 3.84 0.15 -4.82 114.94 120.46 2fy4 s ASN 88 Ca 0.03 2.57 0.24 0.00 0.21 0.00 0.00 52.86 55.92 2fy4 s ASN 88 Cb 0.08 -2.56 0.38 0.00 -0.55 0.00 0.00 41.25 38.60 2fy4 s ASN 88 CO 0.65 -0.94 1.38 0.03 -2.79 0.00 0.00 177.10 175.44 2fy4 h ARG 89 N 8.73 0.00 -7.15 0.43 2.47 -1.87 -3.45 114.38 113.54 2fy4 h ARG 89 Ca -0.44 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.73 2fy4 h ARG 89 Cb 1.21 0.00 0.17 0.00 -1.65 0.00 0.00 29.97 29.70 2fy4 h ARG 89 CO 0.94 0.00 0.44 -0.51 0.56 0.00 0.00 179.97 181.40 2fy4 s LEU 90 N -4.58 3.38 0.48 3.04 1.43 -1.26 -1.37 118.68 119.80 2fy4 s LEU 90 Ca 0.06 2.52 -0.24 0.00 -1.03 0.00 0.00 54.13 55.44 2fy4 s LEU 90 Cb 0.12 -4.61 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 2fy4 s LEU 90 CO 0.70 -2.30 1.36 0.00 0.23 0.00 0.00 176.35 176.34 2fy4 s ALA 91 N -1.72 3.06 0.16 4.21 0.00 -1.26 -4.11 121.76 122.11 2fy4 s ALA 91 Ca 0.79 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.94 2fy4 s ALA 91 Cb -0.34 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.28 2fy4 s ALA 91 CO 0.44 -1.15 1.77 -0.07 0.00 0.00 0.00 175.76 176.75 2fy4 h LEU 92 N 2.04 0.64 -9.60 0.00 3.38 -1.81 -3.37 115.31 106.59 2fy4 h LEU 92 Ca -0.51 -0.10 -0.57 0.00 0.09 0.00 0.00 57.88 56.80 2fy4 h LEU 92 Cb 1.27 -0.16 0.07 0.00 0.09 0.00 0.00 40.66 41.93 2fy4 h LEU 92 CO 0.60 0.56 0.75 -2.65 0.09 0.00 0.00 178.44 177.78 2fy4 n PRO 93 N -4.64 2.24 0.00 1.13 -0.02 -1.26 -0.60 135.00 131.85 2fy4 n PRO 93 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2fy4 n PRO 93 Cb 0.09 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 2fy4 n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2fy4 n VAL 94 N 2.60 0.00 -0.09 -1.45 0.31 -1.26 -4.42 118.33 114.02 2fy4 n VAL 94 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2fy4 n VAL 94 Cb 0.32 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.33 2fy4 n VAL 94 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2fy4 h ASN 95 N 0.00 0.79 0.00 4.52 2.35 -1.70 -1.07 115.58 120.47 2fy4 h ASN 95 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2fy4 h ASN 95 Cb 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.15 2fy4 h ASN 95 CO 0.00 0.99 -0.51 -0.24 -1.65 0.00 0.00 177.43 176.02 2fy4 n SER 96 N -4.11 0.86 -4.59 5.81 2.88 0.23 -4.78 113.62 109.91 2fy4 n SER 96 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2fy4 n SER 96 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 2fy4 n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2fy4 s SER 97 N -4.37 6.58 0.84 -3.46 0.01 -0.19 -4.48 113.70 108.63 2fy4 s SER 97 Ca 0.00 0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.51 2fy4 s SER 97 Cb 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.77 2fy4 s SER 97 CO 0.00 -1.31 1.10 -2.16 0.41 0.00 0.00 173.24 171.28 2fy4 s PRO 98 N 4.58 1.76 0.03 12.44 0.04 -1.09 -4.32 135.00 148.44 2fy4 s PRO 98 Ca 0.46 0.64 0.04 0.00 0.04 0.00 0.00 61.00 62.18 2fy4 s PRO 98 Cb -0.07 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2fy4 s PRO 98 CO 0.30 -1.85 -0.12 0.00 0.04 0.00 0.00 177.00 175.38 2fy4 s ALA 99 N -3.12 0.97 -0.17 8.56 0.00 -0.44 -1.16 121.76 126.40 2fy4 s ALA 99 Ca 0.62 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2fy4 s ALA 99 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2fy4 s ALA 99 CO 0.55 0.17 -0.16 0.08 0.00 0.00 0.00 175.76 176.41 2fy4 s VAL 100 N -0.75 2.55 -0.19 0.00 1.01 -0.70 -1.01 120.40 121.32 2fy4 s VAL 100 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 2fy4 s VAL 100 Cb -0.07 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2fy4 s VAL 100 CO 0.01 0.51 0.12 -0.63 0.00 0.00 0.00 175.10 175.11 2fy4 s ILE 101 N 1.03 5.30 0.78 2.22 1.09 -0.17 -0.58 121.20 130.88 2fy4 s ILE 101 Ca -0.01 0.15 -0.06 0.00 -1.10 0.00 0.00 60.65 59.63 2fy4 s ILE 101 Cb -0.15 -3.40 0.13 0.00 -1.06 0.00 0.00 42.46 37.99 2fy4 s ILE 101 CO -0.04 0.46 1.08 -0.36 -0.10 0.00 0.00 174.94 175.98 2fy4 s PHE 102 N 0.20 1.83 0.85 3.97 0.08 -0.40 -2.59 117.98 121.94 2fy4 s PHE 102 Ca 0.08 0.00 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 2fy4 s PHE 102 Cb -0.11 -3.33 0.11 0.00 -0.57 0.00 0.00 43.02 39.12 2fy4 s PHE 102 CO -0.01 -1.89 1.11 0.00 -0.10 0.00 0.00 175.22 174.33 2fy4 s ALA 103 N -3.35 1.77 0.25 5.36 0.00 -1.26 -4.74 121.76 119.79 2fy4 s ALA 103 Ca 0.67 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2fy4 s ALA 103 Cb -0.06 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 2fy4 s ALA 103 CO 0.47 -2.29 1.39 0.50 0.00 0.00 0.00 175.76 175.83 2fy4 s ARG 104 N -4.80 4.30 0.28 0.00 3.00 -1.26 -4.59 118.95 115.88 2fy4 s ARG 104 Ca 0.64 2.24 0.09 0.00 -1.00 0.00 0.00 55.73 57.70 2fy4 s ARG 104 Cb -0.20 -3.12 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 2fy4 s ARG 104 CO 0.57 -0.35 0.03 -0.65 0.00 0.00 0.00 175.30 174.90 2fy4 s GLN 105 N -0.49 2.34 -0.19 5.12 -1.52 -0.51 -5.06 119.66 119.34 2fy4 s GLN 105 Ca 0.57 -1.43 0.01 0.00 -1.95 0.00 0.00 55.36 52.57 2fy4 s GLN 105 Cb -0.40 -2.18 0.04 0.00 -0.22 0.00 0.00 33.01 30.24 2fy4 s GLN 105 CO 0.43 0.32 -0.13 -1.58 -0.25 0.00 0.00 175.29 174.08 2fy4 s HIS 106 N -2.34 2.52 -0.58 0.91 5.65 -1.26 -4.22 115.29 115.97 2fy4 s HIS 106 Ca 0.33 -1.60 0.03 0.00 0.25 0.00 0.00 55.06 54.07 2fy4 s HIS 106 Cb -0.06 -1.72 0.15 0.00 -1.18 0.00 0.00 32.58 29.77 2fy4 s HIS 106 CO 0.21 -0.75 0.35 -0.06 -0.65 0.00 0.00 174.74 173.83 2fy4 s PHE 107 N 1.36 3.31 0.15 3.88 2.99 -1.26 -4.95 117.98 123.46 2fy4 s PHE 107 Ca 0.01 -3.14 -0.22 0.00 0.00 0.00 0.00 56.93 53.58 2fy4 s PHE 107 Cb -0.15 -2.87 0.02 0.00 0.00 0.00 0.00 43.02 40.01 2fy4 s PHE 107 CO -0.09 -0.72 1.65 -1.35 -0.00 0.00 0.00 175.22 174.70 2fy4 h PRO 108 N 6.35 -0.20 -6.08 0.24 0.11 -1.97 -3.43 132.00 127.02 2fy4 h PRO 108 Ca -0.02 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.51 2fy4 h PRO 108 Cb 0.87 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 31.91 2fy4 h PRO 108 CO 0.70 -0.13 -0.67 0.20 -0.21 0.00 0.00 178.00 177.89 2fy4 s GLY 109 N -2.77 1.98 0.38 -0.55 0.00 -1.26 -5.02 107.32 100.08 2fy4 s GLY 109 Ca -0.15 -1.92 0.11 0.00 0.00 0.00 0.00 44.72 42.77 2fy4 s GLY 109 CO 0.68 -1.92 1.87 -0.84 0.00 0.00 0.00 173.10 172.89 2fy4 h THR 110 N 1.98 0.79 -0.14 0.90 2.02 -1.94 -0.51 112.91 116.01 2fy4 h THR 110 Ca -0.42 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2fy4 h THR 110 Cb 1.25 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2fy4 h THR 110 CO 0.65 0.11 0.03 0.44 0.37 0.00 0.00 175.52 177.12 2fy4 h ASP 111 N 0.60 0.17 -0.69 4.18 3.32 -1.96 -1.17 116.42 120.88 2fy4 h ASP 111 Ca 0.45 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 2fy4 h ASP 111 Cb 0.83 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 2fy4 h ASP 111 CO -0.20 0.19 0.15 0.44 -1.72 0.00 0.00 179.24 178.10 2fy4 h ASP 112 N 0.19 1.05 -0.31 6.45 3.32 -1.45 0.24 116.42 125.90 2fy4 h ASP 112 Ca 0.05 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 2fy4 h ASP 112 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2fy4 h ASP 112 CO -0.00 1.02 0.08 -0.61 -1.72 0.00 0.00 179.24 178.00 2fy4 h GLN 113 N 1.04 0.50 -0.10 3.56 4.15 -1.25 -2.37 115.11 120.65 2fy4 h GLN 113 Ca 0.21 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 2fy4 h GLN 113 Cb 0.39 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2fy4 h GLN 113 CO 0.00 0.57 -0.37 -0.07 -1.93 0.00 0.00 178.83 177.03 2fy4 h LEU 114 N 0.35 0.21 -0.42 -2.39 3.38 -0.96 -1.55 115.31 113.93 2fy4 h LEU 114 Ca 0.10 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2fy4 h LEU 114 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2fy4 h LEU 114 CO 0.00 0.57 -0.00 0.03 0.09 0.00 0.00 178.44 179.13 2fy4 h ARG 115 N 0.17 0.74 0.27 1.13 3.08 -0.38 0.40 114.38 119.79 2fy4 h ARG 115 Ca 0.02 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2fy4 h ARG 115 Cb 0.75 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 2fy4 h ARG 115 CO 0.06 0.82 -0.17 0.35 -1.07 0.00 0.00 179.97 179.96 2fy4 h PHE 116 N 0.57 -0.45 -0.88 3.04 3.57 -1.18 -1.12 116.94 120.49 2fy4 h PHE 116 Ca 0.12 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.69 2fy4 h PHE 116 Cb 0.49 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2fy4 h PHE 116 CO 0.04 -0.27 0.57 0.00 -2.23 0.00 0.00 178.31 176.42 2fy4 h ALA 117 N 0.28 1.58 -0.08 2.41 0.00 -1.14 0.14 119.26 122.45 2fy4 h ALA 117 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2fy4 h ALA 117 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2fy4 h ALA 117 CO 0.02 0.26 0.02 0.00 0.00 0.00 0.00 179.25 179.56 2fy4 h ALA 118 N 1.54 0.10 -0.57 0.00 0.00 -0.52 -0.72 119.26 119.10 2fy4 h ALA 118 Ca 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2fy4 h ALA 118 Cb 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2fy4 h ALA 118 CO -0.16 -0.27 0.38 1.03 0.00 0.00 0.00 179.25 180.23 2fy4 h SER 119 N -0.09 0.66 -0.30 0.00 0.87 -0.58 -1.18 113.55 112.93 2fy4 h SER 119 Ca 0.02 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2fy4 h SER 119 Cb 0.25 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2fy4 h SER 119 CO 0.00 0.48 0.17 0.25 -0.53 0.00 0.00 176.83 177.20 2fy4 h LEU 120 N 0.77 0.28 -0.95 2.23 6.46 -0.60 0.10 115.31 123.60 2fy4 h LEU 120 Ca 0.21 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2fy4 h LEU 120 Cb -0.09 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 2fy4 h LEU 120 CO -0.04 0.21 0.59 0.40 -0.62 0.00 0.00 178.44 178.97 2fy4 h ILE 121 N 0.36 1.26 -0.35 4.05 2.04 -0.79 -0.11 117.51 123.96 2fy4 h ILE 121 Ca 0.12 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2fy4 h ILE 121 Cb 0.00 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 2fy4 h ILE 121 CO -0.06 0.26 0.20 0.28 0.00 0.00 0.00 178.15 178.83 2fy4 h SER 122 N 1.31 0.43 -0.34 1.72 0.02 -0.56 -0.94 113.55 115.20 2fy4 h SER 122 Ca 0.34 -0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 2fy4 h SER 122 Cb -0.08 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 2fy4 h SER 122 CO -0.07 0.38 -0.06 1.23 -1.14 0.00 0.00 176.83 177.18 2fy4 h GLY 123 N 0.44 0.27 0.44 -3.77 0.00 0.06 -1.28 103.07 99.22 2fy4 h GLY 123 Ca 0.12 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.65 2fy4 h GLY 123 CO -0.02 -0.11 0.41 -2.08 0.00 0.00 0.00 176.54 174.74 2fy4 h VAL 124 N 0.03 0.84 -0.67 4.60 2.07 -0.47 -0.50 116.25 122.16 2fy4 h VAL 124 Ca 0.16 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2fy4 h VAL 124 Cb 0.24 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2fy4 h VAL 124 CO -0.32 0.12 0.14 -0.07 0.02 0.00 0.00 177.57 177.45 2fy4 h LEU 125 N 0.67 1.03 -0.43 2.57 3.38 -0.12 -0.28 115.31 122.14 2fy4 h LEU 125 Ca 0.39 -0.25 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 2fy4 h LEU 125 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2fy4 h LEU 125 CO -0.28 1.02 -0.76 0.77 0.09 0.00 0.00 178.44 179.27 2fy4 h SER 126 N 1.01 0.30 -0.33 -0.43 4.64 -0.79 -1.70 113.55 116.25 2fy4 h SER 126 Ca 0.21 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2fy4 h SER 126 Cb 0.40 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2fy4 h SER 126 CO 0.01 0.95 0.04 0.22 -0.87 0.00 0.00 176.83 177.18 2fy4 h TYR 127 N 0.16 0.60 0.00 4.77 3.20 -0.92 -1.47 116.97 123.31 2fy4 h TYR 127 Ca -0.03 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 2fy4 h TYR 127 Cb 1.34 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2fy4 h TYR 127 CO 0.03 0.65 -0.14 -0.22 -1.64 0.00 0.00 178.16 176.83 2fy4 h LYS 128 N 0.38 0.00 -0.17 1.82 3.64 -0.97 -1.56 116.57 119.72 2fy4 h LYS 128 Ca 0.10 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 2fy4 h LYS 128 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2fy4 h LYS 128 CO 0.01 0.14 -0.49 0.00 -2.27 0.00 0.00 179.45 176.84 2fy4 h ALA 129 N 1.86 0.29 -0.92 5.00 0.00 -0.74 -0.12 119.26 124.62 2fy4 h ALA 129 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fy4 h ALA 129 Cb 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2fy4 h ALA 129 CO 0.02 0.46 0.59 -0.07 0.00 0.00 0.00 179.25 180.24 2fy4 h LEU 130 N 0.30 1.07 -0.06 0.00 3.38 -0.57 -1.50 115.31 117.92 2fy4 h LEU 130 Ca -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2fy4 h LEU 130 Cb 1.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2fy4 h LEU 130 CO 0.11 0.79 -0.05 -0.07 0.09 0.00 0.00 178.44 179.31 2fy4 h LEU 131 N 1.25 0.15 -2.50 1.67 3.38 -1.17 0.24 115.31 118.33 2fy4 h LEU 131 Ca 0.33 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2fy4 h LEU 131 Cb -0.11 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2fy4 h LEU 131 CO -0.07 0.58 -0.02 0.44 0.09 0.00 0.00 178.44 179.46 2fy4 h ASP 132 N -0.27 0.00 -0.64 -0.43 3.32 -0.79 0.09 116.42 117.70 2fy4 h ASP 132 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2fy4 h ASP 132 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2fy4 h ASP 132 CO 0.01 0.02 0.00 -1.54 -1.72 0.00 0.00 179.24 176.01 2fy4 n SER 133 N -3.39 3.83 -4.03 6.45 3.41 -0.58 -4.95 113.62 114.35 2fy4 n SER 133 Ca -0.02 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.26 2fy4 n SER 133 Cb 0.13 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2fy4 n SER 133 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2fy4 n HIS 134 N 1.60 -2.05 1.09 7.33 8.25 0.02 -4.85 115.22 126.62 2fy4 n HIS 134 Ca 0.23 0.85 0.12 0.00 -0.26 0.00 0.00 57.72 58.66 2fy4 n HIS 134 Cb 0.62 -3.49 0.15 0.00 1.12 0.00 0.00 29.99 28.38 2fy4 n HIS 134 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fy4 n SER 135 N -2.73 2.10 -4.70 0.41 7.64 0.79 -4.92 113.62 112.21 2fy4 n SER 135 Ca 0.06 -1.56 -0.42 0.00 1.01 0.00 0.00 58.87 57.96 2fy4 n SER 135 Cb 0.51 0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 2fy4 n SER 135 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2fy4 s ILE 136 N -2.29 3.78 0.12 0.44 2.07 -1.24 -4.94 121.20 119.14 2fy4 s ILE 136 Ca 0.24 1.22 -0.33 0.00 -1.41 0.00 0.00 60.65 60.38 2fy4 s ILE 136 Cb 0.19 -3.78 -0.12 0.00 0.13 0.00 0.00 42.46 38.87 2fy4 s ILE 136 CO 0.46 0.05 1.73 -2.65 -1.91 0.00 0.00 174.94 172.62 2fy4 n PRO 137 N 4.61 2.48 -1.71 3.50 -0.02 -1.26 -4.90 135.00 137.70 2fy4 n PRO 137 Ca 0.11 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 62.07 2fy4 n PRO 137 Cb 0.44 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 2fy4 n PRO 137 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2fy4 s THR 138 N 1.97 2.46 0.60 3.45 2.01 -1.26 -4.95 115.64 119.91 2fy4 s THR 138 Ca 0.81 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 62.66 2fy4 s THR 138 Cb -0.59 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2fy4 s THR 138 CO 0.38 0.00 1.13 -1.81 -0.69 0.00 0.00 174.62 173.64 2fy4 s ASP 139 N 2.60 5.39 0.03 3.53 1.01 -1.26 -4.90 116.67 123.07 2fy4 s ASP 139 Ca 0.81 2.14 0.05 0.00 0.71 0.00 0.00 52.55 56.26 2fy4 s ASP 139 Cb -0.47 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 40.87 2fy4 s ASP 139 CO 0.36 -1.44 -0.16 0.00 0.21 0.00 0.00 175.17 174.14 2fy4 s ALA 141 N -0.72 3.45 0.07 0.00 0.00 -0.37 -4.78 121.76 119.42 2fy4 s ALA 141 Ca 0.04 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.49 2fy4 s ALA 141 Cb -0.08 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2fy4 s ALA 141 CO 0.01 -1.02 -0.05 -1.59 0.00 0.00 0.00 175.76 173.10 2fy4 s LYS 142 N -2.16 0.71 4.68 0.00 -2.85 -1.26 0.15 119.74 119.01 2fy4 s LYS 142 Ca 0.55 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 2fy4 s LYS 142 Cb -0.44 -0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.25 2fy4 s LYS 142 CO 0.59 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.41 2fy4 n GLY 143 N 0.26 1.35 3.68 0.59 0.00 -1.26 -4.78 105.19 105.02 2fy4 n GLY 143 Ca -0.14 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2fy4 n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fy4 s GLN 144 N 0.00 4.27 -0.20 1.61 -1.52 -1.26 -4.11 119.66 118.45 2fy4 s GLN 144 Ca 0.00 1.97 -0.06 0.00 -1.95 0.00 0.00 55.36 55.32 2fy4 s GLN 144 Cb 0.00 -3.61 0.01 0.00 -0.22 0.00 0.00 33.01 29.19 2fy4 s GLN 144 CO 0.00 -0.60 0.13 1.28 -0.25 0.00 0.00 175.29 175.85 2fy4 n LEU 145 N 5.55 -5.52 -4.46 2.90 4.77 -1.26 -4.99 117.00 113.99 2fy4 n LEU 145 Ca 0.13 0.74 -0.28 0.00 -0.03 0.00 0.00 56.01 56.57 2fy4 n LEU 145 Cb 0.44 -2.41 -0.11 0.00 -2.33 0.00 0.00 43.42 39.00 2fy4 n LEU 145 CO 0.59 -2.03 -0.51 -0.94 -1.33 0.00 0.00 177.39 173.17 2fy4 s SER 146 N -1.43 3.67 0.00 -1.43 1.04 -1.26 -4.52 113.70 109.77 2fy4 s SER 146 Ca 0.07 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2fy4 s SER 146 Cb -0.01 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2fy4 s SER 146 CO 0.46 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.43 2fy4 n GLY 147 N 0.50 0.85 3.82 7.32 0.00 0.12 -4.91 105.19 112.89 2fy4 n GLY 147 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2fy4 n GLY 147 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fy4 s GLN 148 N 0.00 4.19 0.66 1.61 -0.21 -1.26 -4.67 119.66 119.98 2fy4 s GLN 148 Ca 0.00 1.11 -0.17 0.00 0.02 0.00 0.00 55.36 56.31 2fy4 s GLN 148 Cb 0.00 -2.17 -0.00 0.00 1.00 0.00 0.00 33.01 31.84 2fy4 s GLN 148 CO 0.00 -0.07 1.26 -2.14 -2.12 0.00 0.00 175.29 172.22 2fy4 s PRO 149 N -3.28 2.51 0.22 2.91 0.02 -1.26 -1.24 135.00 134.88 2fy4 s PRO 149 Ca 0.62 1.94 0.11 0.00 0.02 0.00 0.00 61.00 63.69 2fy4 s PRO 149 Cb -0.09 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 2fy4 s PRO 149 CO 0.15 -1.60 -0.18 -0.51 -0.33 0.00 0.00 177.00 174.54 2fy4 s LEU 150 N -4.52 2.65 0.36 -5.54 1.43 0.22 -4.66 118.68 108.62 2fy4 s LEU 150 Ca 0.80 -0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2fy4 s LEU 150 Cb -0.34 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 2fy4 s LEU 150 CO 0.40 0.08 1.24 0.00 0.23 0.00 0.00 176.35 178.30 2fy4 n MET 152 N 0.48 0.92 -0.34 0.00 0.00 -1.26 -4.72 117.12 112.20 2fy4 n MET 152 Ca 0.02 -1.23 0.13 0.00 0.00 0.00 0.00 57.70 56.61 2fy4 n MET 152 Cb 0.44 -1.16 0.31 0.00 0.00 0.00 0.00 33.22 32.81 2fy4 n MET 152 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2fy4 h LYS 153 N 1.48 0.64 -0.99 0.03 3.64 -1.96 -2.18 116.57 117.23 2fy4 h LYS 153 Ca 0.00 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.52 2fy4 h LYS 153 Cb 0.42 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 2fy4 h LYS 153 CO 0.00 0.43 0.61 1.96 -2.27 0.00 0.00 179.45 180.18 2fy4 h GLN 154 N 0.66 0.71 -0.41 1.90 4.20 -1.87 -1.02 115.11 119.28 2fy4 h GLN 154 Ca 0.57 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.29 2fy4 h GLN 154 Cb 0.93 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2fy4 h GLN 154 CO -0.41 0.47 0.28 1.88 -0.67 0.00 0.00 178.83 180.37 2fy4 h TYR 155 N 0.73 0.31 0.00 2.96 0.05 -1.75 -0.71 116.97 118.55 2fy4 h TYR 155 Ca 0.55 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.33 2fy4 h TYR 155 Cb 0.90 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.53 2fy4 h TYR 155 CO -0.00 0.17 0.00 0.66 -1.05 0.00 0.00 178.16 177.94 2fy4 n TYR 156 N -4.48 0.00 0.48 4.88 4.02 -0.39 -2.54 117.16 119.13 2fy4 n TYR 156 Ca 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.00 2fy4 n TYR 156 Cb 0.25 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.59 2fy4 n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2fy4 n GLY 157 N 0.81 -0.22 0.10 2.72 0.00 -0.28 -4.32 105.19 104.00 2fy4 n GLY 157 Ca 0.20 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2fy4 n GLY 157 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fy4 h LEU 158 N 1.70 0.16 0.00 0.99 3.38 -1.48 -3.34 115.31 116.72 2fy4 h LEU 158 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fy4 h LEU 158 Cb 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2fy4 h LEU 158 CO 0.00 0.12 -0.44 0.49 0.09 0.00 0.00 178.44 178.70 2fy4 n PHE 159 N -4.99 0.00 -0.94 1.13 3.01 -1.26 -4.43 117.46 109.97 2fy4 n PHE 159 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.45 2fy4 n PHE 159 Cb 0.04 -0.02 0.38 0.00 -0.01 0.00 0.00 39.48 39.87 2fy4 n PHE 159 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2fy4 n SER 160 N -1.23 5.49 -4.35 4.37 3.41 -1.26 -4.59 113.62 115.47 2fy4 n SER 160 Ca 0.01 -3.03 -0.25 0.00 -0.26 0.00 0.00 58.87 55.35 2fy4 n SER 160 Cb 0.12 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.24 2fy4 n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2fy4 s SER 161 N -0.85 2.93 -0.11 4.04 0.01 -1.25 -0.25 113.70 118.21 2fy4 s SER 161 Ca 0.55 -0.80 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 2fy4 s SER 161 Cb 0.43 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.51 2fy4 s SER 161 CO 0.15 0.06 0.29 -0.47 0.41 0.00 0.00 173.24 173.68 2fy4 s TYR 162 N -1.57 -0.36 -0.41 2.43 5.04 -0.88 -3.73 117.35 117.88 2fy4 s TYR 162 Ca 0.14 0.84 -0.13 0.00 -2.44 0.00 0.00 57.07 55.49 2fy4 s TYR 162 Cb -0.08 0.11 0.04 0.00 0.35 0.00 0.00 41.96 42.37 2fy4 s TYR 162 CO 0.07 -0.20 0.27 0.50 -1.34 0.00 0.00 175.55 174.85 2fy4 s ARG 163 N 0.68 2.88 0.06 4.97 3.52 -0.24 -0.58 118.95 130.23 2fy4 s ARG 163 Ca -0.04 -1.13 -0.28 0.00 -0.13 0.00 0.00 55.73 54.14 2fy4 s ARG 163 Cb -0.06 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 2fy4 s ARG 163 CO -0.04 -0.79 0.90 -0.51 -0.81 0.00 0.00 175.30 174.05 2fy4 s LEU 164 N 1.60 4.45 0.61 -0.88 1.43 0.52 -4.65 118.68 121.76 2fy4 s LEU 164 Ca 0.03 1.64 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 2fy4 s LEU 164 Cb -0.20 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2fy4 s LEU 164 CO 0.08 -0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.48 2fy4 s PRO 165 N 0.28 3.12 0.07 1.29 0.04 -1.26 -1.42 135.00 137.13 2fy4 s PRO 165 Ca 0.46 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 2fy4 s PRO 165 Cb -0.22 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2fy4 s PRO 165 CO 0.27 -0.98 0.21 0.20 0.04 0.00 0.00 177.00 176.74 2fy4 s GLY 166 N -2.59 0.04 0.18 0.56 0.00 -1.26 -4.75 107.32 99.50 2fy4 s GLY 166 Ca 0.66 -0.45 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 2fy4 s GLY 166 CO 0.37 -0.64 1.71 0.84 0.00 0.00 0.00 173.10 175.38 2fy4 h HIS 167 N 2.94 0.97 0.00 1.90 2.76 -1.88 -3.36 115.15 118.49 2fy4 h HIS 167 Ca -0.33 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 2fy4 h HIS 167 Cb 1.20 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2fy4 h HIS 167 CO 0.44 0.79 -0.93 0.25 -1.30 0.00 0.00 177.93 177.18 2fy4 n THR 168 N -4.41 0.00 -4.08 6.26 -2.24 -1.26 -4.56 114.28 104.00 2fy4 n THR 168 Ca 0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.64 2fy4 n THR 168 Cb 0.20 -0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 67.61 2fy4 n THR 168 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2fy4 s GLN 169 N -1.93 0.52 0.84 -0.78 0.74 -1.26 -4.70 119.66 113.09 2fy4 s GLN 169 Ca 0.00 -0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.22 2fy4 s GLN 169 Cb 0.00 -0.58 0.10 0.00 1.10 0.00 0.00 33.01 33.63 2fy4 s GLN 169 CO 0.00 -0.04 1.18 -0.51 -0.55 0.00 0.00 175.29 175.37 2fy4 s ASP 170 N 0.64 4.20 -0.08 6.67 1.11 -0.34 -4.14 116.67 124.73 2fy4 s ASP 170 Ca -0.07 0.77 0.01 0.00 0.18 0.00 0.00 52.55 53.44 2fy4 s ASP 170 Cb -0.11 -1.24 0.02 0.00 1.07 0.00 0.00 42.92 42.66 2fy4 s ASP 170 CO -0.01 -2.10 -0.11 -0.89 1.18 0.00 0.00 175.17 173.25 2fy4 s THR 171 N -3.55 1.10 -0.47 -1.27 2.01 -0.51 -4.88 115.64 108.08 2fy4 s THR 171 Ca 0.63 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.02 2fy4 s THR 171 Cb -0.11 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.39 2fy4 s THR 171 CO 0.50 0.36 0.65 -0.22 -0.69 0.00 0.00 174.62 175.22 2fy4 s LEU 172 N 1.06 4.68 -0.22 4.42 2.96 -1.26 -0.36 118.68 129.95 2fy4 s LEU 172 Ca -0.07 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.01 2fy4 s LEU 172 Cb -0.15 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 2fy4 s LEU 172 CO -0.01 -0.85 0.78 -0.69 -1.32 0.00 0.00 176.35 174.26 2fy4 s VAL 173 N 2.79 4.89 -0.30 1.68 1.01 0.25 -4.95 120.40 125.78 2fy4 s VAL 173 Ca 0.19 1.47 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 2fy4 s VAL 173 Cb -0.16 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2fy4 s VAL 173 CO 0.16 -0.01 0.27 0.00 0.00 0.00 0.00 175.10 175.51 2fy4 s ALA 174 N 2.53 3.53 0.00 5.51 0.00 -1.26 -2.08 121.76 129.99 2fy4 s ALA 174 Ca 0.34 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2fy4 s ALA 174 Cb -0.16 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2fy4 s ALA 174 CO 0.09 -0.72 0.00 0.94 0.00 0.00 0.00 175.76 176.07 2fy4 n GLN 175 N 5.18 0.14 -3.84 0.00 -0.06 0.65 -5.04 117.38 114.42 2fy4 n GLN 175 Ca -0.12 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.64 2fy4 n GLN 175 Cb 0.51 0.00 -0.17 0.00 -4.06 0.00 0.00 30.24 26.52 2fy4 n GLN 175 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2fy4 s MET 180 N 0.00 0.98 0.31 3.69 0.00 -1.26 -5.11 119.30 117.91 2fy4 s MET 180 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 55.69 55.36 2fy4 s MET 180 Cb 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 34.83 33.49 2fy4 s MET 180 CO 0.00 -0.28 1.25 -0.35 0.00 0.00 0.00 175.02 175.64 2fy4 n PRO 181 N 5.03 1.94 -3.76 3.16 -0.04 -1.26 -4.94 135.00 135.13 2fy4 n PRO 181 Ca -0.10 0.68 -0.28 0.00 -0.04 0.00 0.00 63.50 63.77 2fy4 n PRO 181 Cb 0.50 -2.23 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 2fy4 n PRO 181 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2fy4 s GLU 182 N -1.58 0.75 1.02 0.54 2.56 -1.26 -2.21 118.70 118.52 2fy4 s GLU 182 Ca 0.58 -0.48 -0.11 0.00 0.00 0.00 0.00 54.97 54.96 2fy4 s GLU 182 Cb -0.61 -2.16 0.19 0.00 2.00 0.00 0.00 34.13 33.55 2fy4 s GLU 182 CO 0.60 -0.64 1.03 -0.35 -0.56 0.00 0.00 175.26 175.34 2fy4 n PRO 183 N 5.01 -1.23 -4.08 4.30 -0.04 -1.26 -5.16 135.00 132.54 2fy4 n PRO 183 Ca -0.09 -0.31 -0.35 0.00 -0.04 0.00 0.00 63.50 62.71 2fy4 n PRO 183 Cb 0.47 -2.25 -0.10 0.00 -0.04 0.00 0.00 33.50 31.58 2fy4 n PRO 183 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2fy4 s GLU 184 N -4.46 3.80 0.19 0.54 2.12 -0.94 -5.04 118.70 114.92 2fy4 s GLU 184 Ca 0.67 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.61 2fy4 s GLU 184 Cb -0.24 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 2fy4 s GLU 184 CO 0.61 0.36 0.19 -3.38 -0.54 0.00 0.00 175.26 172.50 2fy4 s HIS 185 N 0.12 0.93 0.08 5.30 -3.43 -1.26 -1.47 115.29 115.57 2fy4 s HIS 185 Ca 0.04 -1.21 0.10 0.00 -0.80 0.00 0.00 55.06 53.19 2fy4 s HIS 185 Cb -0.12 -0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 30.60 2fy4 s HIS 185 CO 0.01 -0.69 -0.24 0.14 -2.00 0.00 0.00 174.74 171.96 2fy4 s VAL 186 N -4.11 2.38 -0.27 -5.38 -7.23 -0.42 -0.59 120.40 104.80 2fy4 s VAL 186 Ca 0.32 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 2fy4 s VAL 186 Cb 0.06 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 2fy4 s VAL 186 CO 0.09 0.23 0.44 -0.63 -0.31 0.00 0.00 175.10 174.92 2fy4 s ILE 187 N -0.96 5.12 -0.23 -0.62 -1.09 -0.66 -1.13 121.20 121.63 2fy4 s ILE 187 Ca 0.14 0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 59.16 2fy4 s ILE 187 Cb -0.10 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2fy4 s ILE 187 CO 0.05 0.12 0.13 -0.69 -1.23 0.00 0.00 174.94 173.32 2fy4 s VAL 188 N 2.18 5.11 -0.17 2.92 1.01 -0.04 -1.36 120.40 130.07 2fy4 s VAL 188 Ca 0.18 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2fy4 s VAL 188 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2fy4 s VAL 188 CO 0.10 0.36 -0.00 0.00 0.00 0.00 0.00 175.10 175.56 2fy4 s ALA 189 N 1.04 3.15 -0.09 5.51 0.00 -0.68 -0.53 121.76 130.15 2fy4 s ALA 189 Ca 0.06 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 2fy4 s ALA 189 Cb -0.14 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.32 2fy4 s ALA 189 CO 0.04 0.19 0.22 0.00 0.00 0.00 0.00 175.76 176.21 2fy4 n ASN 192 N -2.42 -4.78 -4.78 0.00 3.02 -1.26 -4.99 115.26 100.05 2fy4 n ASN 192 Ca 0.01 0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 2fy4 n ASN 192 Cb 0.53 -2.67 -0.08 0.00 -0.61 0.00 0.00 39.78 36.95 2fy4 n ASN 192 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2fy4 s GLN 193 N -1.87 3.42 -0.20 3.52 -1.52 0.24 -4.64 119.66 118.61 2fy4 s GLN 193 Ca 0.00 -0.25 -0.07 0.00 -1.95 0.00 0.00 55.36 53.09 2fy4 s GLN 193 Cb 0.00 -3.09 -0.03 0.00 -0.22 0.00 0.00 33.01 29.67 2fy4 s GLN 193 CO 0.00 0.66 0.05 -0.06 -0.25 0.00 0.00 175.29 175.69 2fy4 s PHE 194 N -0.70 3.16 0.07 0.91 0.40 -1.26 -0.76 117.98 119.79 2fy4 s PHE 194 Ca 0.12 -0.15 0.10 0.00 -0.60 0.00 0.00 56.93 56.40 2fy4 s PHE 194 Cb -0.12 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 2fy4 s PHE 194 CO 0.03 -0.06 -0.26 -0.06 0.70 0.00 0.00 175.22 175.56 2fy4 s PHE 195 N 0.85 2.30 -0.28 0.36 0.40 0.30 -0.95 117.98 120.97 2fy4 s PHE 195 Ca 0.03 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.77 2fy4 s PHE 195 Cb -0.14 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 2fy4 s PHE 195 CO 0.02 0.19 0.55 0.08 0.70 0.00 0.00 175.22 176.76 2fy4 s VAL 196 N -0.89 5.03 -0.37 -0.44 1.01 0.15 -0.86 120.40 124.03 2fy4 s VAL 196 Ca 0.12 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 2fy4 s VAL 196 Cb -0.10 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.50 2fy4 s VAL 196 CO 0.03 0.01 0.13 -0.22 0.00 0.00 0.00 175.10 175.05 2fy4 s LEU 197 N 2.39 4.95 0.17 3.92 2.96 -0.28 -2.75 118.68 130.03 2fy4 s LEU 197 Ca 0.22 -1.99 -0.31 0.00 -0.22 0.00 0.00 54.13 51.83 2fy4 s LEU 197 Cb -0.15 -1.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 2fy4 s LEU 197 CO 0.10 -0.46 1.44 -1.81 -1.32 0.00 0.00 176.35 174.30 2fy4 s ASP 198 N 1.46 6.74 -0.01 3.68 1.01 -1.26 -1.30 116.67 127.00 2fy4 s ASP 198 Ca 0.08 2.49 0.06 0.00 0.71 0.00 0.00 52.55 55.88 2fy4 s ASP 198 Cb -0.21 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.04 2fy4 s ASP 198 CO -0.05 -0.69 0.14 1.33 0.21 0.00 0.00 175.17 176.11 2fy4 n VAL 199 N 3.42 0.00 -3.55 -1.27 0.24 -0.54 -4.93 118.33 111.70 2fy4 n VAL 199 Ca 0.10 -0.18 -0.25 0.00 -2.04 0.00 0.00 64.34 61.98 2fy4 n VAL 199 Cb 0.41 0.51 -0.15 0.00 -1.47 0.00 0.00 33.84 33.14 2fy4 n VAL 199 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fy4 s VAL 200 N -2.19 -0.16 0.00 3.34 1.01 -1.08 -1.62 120.40 119.70 2fy4 s VAL 200 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2fy4 s VAL 200 Cb 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2fy4 s VAL 200 CO 0.23 -0.40 0.00 -0.38 0.00 0.00 0.00 175.10 174.55 2fy4 n ILE 201 N 5.28 0.00 -3.40 2.22 5.41 -0.71 -3.08 119.36 125.08 2fy4 n ILE 201 Ca -0.06 0.07 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 2fy4 n ILE 201 Cb 0.47 -0.39 -0.03 0.00 -0.71 0.00 0.00 39.64 38.98 2fy4 n ILE 201 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2fy4 n ASN 202 N 0.00 5.03 0.00 4.38 3.02 -1.26 -4.60 115.26 121.83 2fy4 n ASN 202 Ca 0.00 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.36 2fy4 n ASN 202 Cb 0.00 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 2fy4 n ASN 202 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2fy4 n PHE 203 N 2.08 0.00 -2.77 3.10 0.99 -1.26 -4.88 117.46 114.71 2fy4 n PHE 203 Ca 0.24 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.27 2fy4 n PHE 203 Cb 0.37 -1.63 -0.03 0.00 -1.00 0.00 0.00 39.48 37.19 2fy4 n PHE 203 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2fy4 s ARG 204 N -1.26 4.02 -0.45 -1.08 0.52 -1.26 -5.00 118.95 114.45 2fy4 s ARG 204 Ca 0.00 0.87 -0.17 0.00 -0.52 0.00 0.00 55.73 55.91 2fy4 s ARG 204 Cb 0.00 -3.73 0.04 0.00 0.52 0.00 0.00 34.95 31.78 2fy4 s ARG 204 CO 0.00 -0.80 0.47 0.50 0.02 0.00 0.00 175.30 175.49 2fy4 s ARG 205 N 3.33 3.07 0.38 3.54 3.52 -1.26 -1.74 118.95 129.79 2fy4 s ARG 205 Ca 0.40 -0.92 -0.20 0.00 -0.13 0.00 0.00 55.73 54.88 2fy4 s ARG 205 Cb -0.13 -4.03 -0.15 0.00 -1.56 0.00 0.00 34.95 29.08 2fy4 s ARG 205 CO 0.14 -0.97 0.08 1.28 -0.81 0.00 0.00 175.30 175.01 2fy4 n LEU 206 N 5.64 -2.69 -4.84 -0.88 4.77 -0.64 -4.83 117.00 113.52 2fy4 n LEU 206 Ca -0.08 0.75 -0.31 0.00 -0.03 0.00 0.00 56.01 56.34 2fy4 n LEU 206 Cb 0.46 -0.82 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2fy4 n LEU 206 CO 0.48 -3.92 0.71 -0.94 -1.33 0.00 0.00 177.39 172.39 2fy4 s SER 207 N -0.93 5.90 0.36 -1.43 1.04 -0.92 -4.88 113.70 112.84 2fy4 s SER 207 Ca 0.55 1.53 0.27 0.00 0.48 0.00 0.00 55.95 58.78 2fy4 s SER 207 Cb -0.59 -2.49 1.23 0.00 0.10 0.00 0.00 66.02 64.27 2fy4 s SER 207 CO 0.58 -1.09 1.81 -0.08 0.98 0.00 0.00 173.24 175.44 2fy4 h GLU 208 N -0.35 0.00 0.17 4.02 4.81 -1.90 -0.74 114.58 120.59 2fy4 h GLU 208 Ca -0.44 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.47 2fy4 h GLU 208 Cb 1.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2fy4 h GLU 208 CO 0.60 0.00 -1.52 0.78 -0.73 0.00 0.00 179.01 178.13 2fy4 h GLY 209 N 1.43 0.40 1.99 1.92 0.00 -1.91 -3.09 103.07 103.82 2fy4 h GLY 209 Ca 0.00 -1.03 -0.16 0.00 0.00 0.00 0.00 47.33 46.14 2fy4 h GLY 209 CO 0.00 0.90 -0.76 -0.55 0.00 0.00 0.00 176.54 176.13 2fy4 h ASP 210 N 0.10 0.01 -0.58 0.19 3.32 -1.58 -2.79 116.42 115.09 2fy4 h ASP 210 Ca -0.25 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 2fy4 h ASP 210 Cb 2.06 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.59 2fy4 h ASP 210 CO 0.20 0.77 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.36 2fy4 h LEU 211 N 0.00 1.05 0.05 1.55 3.38 -1.27 -0.71 115.31 119.37 2fy4 h LEU 211 Ca -0.01 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2fy4 h LEU 211 Cb 1.35 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2fy4 h LEU 211 CO 0.10 1.13 -0.02 0.15 0.09 0.00 0.00 178.44 179.88 2fy4 h PHE 212 N 0.96 -0.06 -0.79 1.13 3.57 -1.46 -0.22 116.94 120.06 2fy4 h PHE 212 Ca 0.16 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2fy4 h PHE 212 Cb 0.62 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2fy4 h PHE 212 CO 0.04 -0.04 0.48 1.15 -2.23 0.00 0.00 178.31 177.72 2fy4 h THR 213 N -0.07 1.03 -0.58 4.41 2.02 -1.31 -1.48 112.91 116.93 2fy4 h THR 213 Ca -0.01 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 2fy4 h THR 213 Cb 0.06 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 2fy4 h THR 213 CO 0.01 0.16 -0.06 1.56 0.37 0.00 0.00 175.52 177.57 2fy4 h GLN 214 N 0.89 1.06 -0.56 6.66 1.08 -0.79 -2.85 115.11 120.61 2fy4 h GLN 214 Ca 0.34 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2fy4 h GLN 214 Cb 0.15 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2fy4 h GLN 214 CO -0.17 1.07 0.17 -0.07 -0.95 0.00 0.00 178.83 178.88 2fy4 h LEU 215 N 0.96 0.78 -0.94 1.46 3.38 -0.44 -1.63 115.31 118.87 2fy4 h LEU 215 Ca 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2fy4 h LEU 215 Cb 0.63 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2fy4 h LEU 215 CO 0.04 0.74 0.50 0.03 0.09 0.00 0.00 178.44 179.83 2fy4 h ARG 216 N 0.82 1.24 -0.07 1.13 3.08 -1.10 -0.76 114.38 118.72 2fy4 h ARG 216 Ca 0.19 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2fy4 h ARG 216 Cb 0.24 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2fy4 h ARG 216 CO -0.01 0.90 0.02 0.87 -1.07 0.00 0.00 179.97 180.68 2fy4 h LYS 217 N 1.25 0.11 -0.41 0.04 1.57 -1.21 -2.18 116.57 115.74 2fy4 h LYS 217 Ca 0.32 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 2fy4 h LYS 217 Cb 0.01 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2fy4 h LYS 217 CO -0.05 0.29 0.08 0.82 -0.57 0.00 0.00 179.45 180.01 2fy4 h ILE 218 N -0.08 0.78 -0.65 1.86 2.04 -0.87 0.43 117.51 121.00 2fy4 h ILE 218 Ca 0.02 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2fy4 h ILE 218 Cb 0.22 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2fy4 h ILE 218 CO -0.00 0.04 0.39 0.58 0.00 0.00 0.00 178.15 179.16 2fy4 h VAL 219 N 0.21 1.04 0.13 1.67 2.07 -1.08 0.16 116.25 120.44 2fy4 h VAL 219 Ca 0.20 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2fy4 h VAL 219 Cb 0.25 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2fy4 h VAL 219 CO -0.27 0.14 -0.08 0.50 0.02 0.00 0.00 177.57 177.88 2fy4 h LYS 220 N 0.75 -0.20 -0.67 1.57 1.63 -0.61 -2.81 116.57 116.22 2fy4 h LYS 220 Ca 0.27 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.03 2fy4 h LYS 220 Cb 0.08 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2fy4 h LYS 220 CO -0.13 -0.14 0.20 0.52 -3.45 0.00 0.00 179.45 176.45 2fy4 h MET 221 N -0.21 1.04 0.00 1.90 2.86 -0.66 -2.05 114.93 117.81 2fy4 h MET 221 Ca -0.01 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2fy4 h MET 221 Cb 0.18 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2fy4 h MET 221 CO 0.01 0.90 0.00 0.00 1.06 0.00 0.00 176.91 178.88 2fy4 n ALA 222 N -2.45 1.81 0.36 6.32 0.00 0.52 -1.12 120.51 125.95 2fy4 n ALA 222 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2fy4 n ALA 222 Cb 0.23 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.61 2fy4 n ALA 222 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fy4 n SER 223 N -0.96 2.09 -4.57 0.00 7.64 -0.77 -4.75 113.62 112.30 2fy4 n SER 223 Ca 0.06 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 57.96 2fy4 n SER 223 Cb 0.03 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 2fy4 n SER 223 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2fy4 s ASN 224 N -0.94 6.52 0.11 6.43 3.84 -0.28 -4.94 114.94 125.69 2fy4 s ASN 224 Ca 0.15 0.19 -0.21 0.00 0.21 0.00 0.00 52.86 53.19 2fy4 s ASN 224 Cb 0.10 -2.49 -0.08 0.00 -0.55 0.00 0.00 41.25 38.23 2fy4 s ASN 224 CO 0.14 -1.15 1.73 0.00 -2.79 0.00 0.00 177.10 175.03 2fy4 h ALA 225 N 9.17 0.09 0.00 1.71 0.00 -1.92 -1.14 119.26 127.17 2fy4 h ALA 225 Ca -0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2fy4 h ALA 225 Cb 1.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2fy4 h ALA 225 CO 1.07 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2fy4 h ALA 226 N 1.11 1.00 0.00 0.00 0.00 -1.99 -2.22 119.26 117.16 2fy4 h ALA 226 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fy4 h ALA 226 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2fy4 h ALA 226 CO -0.11 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 178.30 2fy4 n ALA 227 N -1.82 3.43 -1.66 0.00 0.00 -0.81 -5.01 120.51 114.65 2fy4 n ALA 227 Ca -0.01 -0.36 -0.48 0.00 0.00 0.00 0.00 53.44 52.59 2fy4 n ALA 227 Cb 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 2fy4 n ALA 227 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fy4 n ARG 228 N -1.46 1.99 -3.77 0.00 0.63 -0.50 -4.99 116.66 108.57 2fy4 n ARG 228 Ca 0.01 0.72 -0.21 0.00 -0.92 0.00 0.00 57.85 57.45 2fy4 n ARG 228 Cb 0.24 -2.49 -0.03 0.00 0.45 0.00 0.00 32.46 30.63 2fy4 n ARG 228 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2fy4 s LEU 229 N 1.68 3.56 0.52 6.15 1.43 -1.26 -5.06 118.68 125.70 2fy4 s LEU 229 Ca 0.83 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 2fy4 s LEU 229 Cb -0.73 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 2fy4 s LEU 229 CO 0.43 -0.41 1.28 -2.84 0.23 0.00 0.00 176.35 175.05 2fy4 s PRO 230 N -4.02 3.33 -0.88 1.29 0.02 -1.26 -4.88 135.00 128.61 2fy4 s PRO 230 Ca 0.42 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 2fy4 s PRO 230 Cb -0.05 -2.28 -0.08 0.00 0.02 0.00 0.00 34.50 32.10 2fy4 s PRO 230 CO 0.27 -0.98 2.05 -0.35 -0.33 0.00 0.00 177.00 177.66 2fy4 n PRO 231 N -0.89 1.92 -0.25 5.54 -0.04 -1.26 -4.73 135.00 135.28 2fy4 n PRO 231 Ca 0.10 -1.59 0.26 0.00 -0.04 0.00 0.00 63.50 62.22 2fy4 n PRO 231 Cb 0.46 -2.61 0.62 0.00 -0.04 0.00 0.00 33.50 31.93 2fy4 n PRO 231 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2fy4 h ILE 232 N 3.77 0.56 -0.98 0.52 1.08 -1.90 -0.76 117.51 119.79 2fy4 h ILE 232 Ca 0.47 -0.07 0.22 0.00 -0.39 0.00 0.00 64.86 65.09 2fy4 h ILE 232 Cb 0.32 0.33 -0.09 0.00 -3.07 0.00 0.00 36.82 34.32 2fy4 h ILE 232 CO 1.61 0.04 0.63 1.23 -0.69 0.00 0.00 178.15 180.96 2fy4 h GLY 233 N 0.20 1.33 -0.15 5.37 0.00 -1.76 -0.33 103.07 107.73 2fy4 h GLY 233 Ca 0.50 -0.26 0.27 0.00 0.00 0.00 0.00 47.33 47.84 2fy4 h GLY 233 CO -0.12 -0.07 0.67 -2.00 0.00 0.00 0.00 176.54 175.01 2fy4 h LEU 234 N 0.54 0.46 -1.90 3.11 5.85 -1.28 -0.43 115.31 121.66 2fy4 h LEU 234 Ca 0.55 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.36 2fy4 h LEU 234 Cb 1.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2fy4 h LEU 234 CO -0.29 0.08 0.07 -0.07 -0.34 0.00 0.00 178.44 177.89 2fy4 h LEU 235 N 0.40 0.12 0.00 2.25 3.38 -1.24 -1.64 115.31 118.58 2fy4 h LEU 235 Ca 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 2fy4 h LEU 235 Cb 1.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2fy4 h LEU 235 CO -0.31 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.66 2fy4 n THR 236 N -4.52 0.31 1.27 0.22 -2.24 -0.17 -2.96 114.28 106.19 2fy4 n THR 236 Ca -0.01 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 2fy4 n THR 236 Cb 0.09 -0.68 0.39 0.00 -2.10 0.00 0.00 70.33 68.03 2fy4 n THR 236 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2fy4 n SER 237 N -1.38 1.97 -4.37 3.42 3.41 -0.61 -4.51 113.62 111.54 2fy4 n SER 237 Ca 0.09 -1.67 -0.25 0.00 -0.26 0.00 0.00 58.87 56.77 2fy4 n SER 237 Cb 0.23 -0.03 0.15 0.00 -0.26 0.00 0.00 64.21 64.29 2fy4 n SER 237 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2fy4 n ASP 238 N 0.53 0.98 -4.65 4.04 -0.08 -1.16 -4.60 116.55 111.62 2fy4 n ASP 238 Ca 0.17 -1.95 -0.34 0.00 -1.51 0.00 0.00 54.79 51.17 2fy4 n ASP 238 Cb 0.42 -0.77 0.12 0.00 2.34 0.00 0.00 41.12 43.23 2fy4 n ASP 238 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2fy4 n GLY 239 N -3.05 -0.27 0.28 0.27 0.00 -1.26 -4.24 105.19 96.92 2fy4 n GLY 239 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 2fy4 n GLY 239 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fy4 h ARG 240 N -0.86 0.97 -0.37 1.61 2.47 -1.37 -0.59 114.38 116.23 2fy4 h ARG 240 Ca -0.46 -0.25 -0.10 0.00 -1.26 0.00 0.00 59.98 57.91 2fy4 h ARG 240 Cb 1.30 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 2fy4 h ARG 240 CO 0.45 0.90 -0.18 0.77 0.56 0.00 0.00 179.97 182.47 2fy4 h SER 241 N 0.88 0.70 -0.08 7.04 0.02 -1.76 -1.09 113.55 119.26 2fy4 h SER 241 Ca 0.19 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2fy4 h SER 241 Cb 0.38 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2fy4 h SER 241 CO 0.01 0.88 0.02 -0.33 -1.14 0.00 0.00 176.83 176.26 2fy4 h GLU 242 N 0.62 0.13 -0.72 3.45 3.07 -1.83 -2.51 114.58 116.79 2fy4 h GLU 242 Ca 0.10 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2fy4 h GLU 242 Cb 0.65 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 2fy4 h GLU 242 CO 0.05 0.32 0.32 2.35 -1.40 0.00 0.00 179.01 180.65 2fy4 h TRP 243 N -0.10 1.07 -0.83 4.33 -0.00 -1.05 -1.23 115.95 118.14 2fy4 h TRP 243 Ca 0.02 -0.06 0.09 0.00 -0.00 0.00 0.00 58.89 58.94 2fy4 h TRP 243 Cb 0.26 -0.33 -0.06 0.00 -0.00 0.00 0.00 29.16 29.03 2fy4 h TRP 243 CO 0.01 0.80 0.54 0.00 -0.00 0.00 0.00 178.44 179.79 2fy4 h ALA 244 N 1.16 1.69 -0.03 2.65 0.00 -1.10 0.22 119.26 123.85 2fy4 h ALA 244 Ca 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2fy4 h ALA 244 Cb 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2fy4 h ALA 244 CO -0.03 0.14 -0.38 1.49 0.00 0.00 0.00 179.25 180.48 2fy4 h GLU 245 N 0.81 0.31 -0.41 0.00 4.81 -0.95 -2.37 114.58 116.78 2fy4 h GLU 245 Ca 0.38 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2fy4 h GLU 245 Cb 0.39 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2fy4 h GLU 245 CO -0.15 0.97 0.03 0.00 -0.73 0.00 0.00 179.01 179.13 2fy4 h ALA 246 N 0.35 1.29 -0.45 2.92 0.00 -0.79 -2.18 119.26 120.40 2fy4 h ALA 246 Ca -0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2fy4 h ALA 246 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2fy4 h ALA 246 CO 0.08 0.49 -0.07 -0.09 0.00 0.00 0.00 179.25 179.65 2fy4 h ARG 247 N 0.61 0.79 -0.53 0.00 2.43 -0.58 -1.75 114.38 115.35 2fy4 h ARG 247 Ca 0.13 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2fy4 h ARG 247 Cb 0.34 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2fy4 h ARG 247 CO 0.01 0.85 0.25 1.15 -1.51 0.00 0.00 179.97 180.72 2fy4 h THR 248 N 0.72 1.18 -0.27 0.20 2.02 -0.85 0.29 112.91 116.20 2fy4 h THR 248 Ca 0.13 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2fy4 h THR 248 Cb 0.55 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2fy4 h THR 248 CO 0.03 0.21 -0.06 0.58 0.37 0.00 0.00 175.52 176.65 2fy4 h VAL 249 N 0.74 1.28 -0.57 3.16 2.07 -1.00 -3.14 116.25 118.79 2fy4 h VAL 249 Ca 0.19 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2fy4 h VAL 249 Cb 0.08 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2fy4 h VAL 249 CO -0.02 0.34 0.38 -0.07 0.02 0.00 0.00 177.57 178.21 2fy4 h LEU 250 N 0.28 0.65 -2.24 2.57 3.38 -0.54 -2.72 115.31 116.69 2fy4 h LEU 250 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2fy4 h LEU 250 Cb 0.53 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2fy4 h LEU 250 CO 0.03 0.48 0.25 0.58 0.09 0.00 0.00 178.44 179.87 2fy4 h VAL 251 N 0.77 0.02 -0.03 1.22 2.07 -0.92 -1.92 116.25 117.46 2fy4 h VAL 251 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2fy4 h VAL 251 Cb -0.09 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2fy4 h VAL 251 CO -0.04 0.00 -0.06 0.11 0.02 0.00 0.00 177.57 177.59 2fy4 h LYS 252 N 0.00 0.04 -5.59 1.57 1.57 -1.52 -3.42 116.57 109.21 2fy4 h LYS 252 Ca 0.01 -0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2fy4 h LYS 252 Cb 0.51 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 2fy4 h LYS 252 CO -0.00 0.10 -0.36 0.34 -0.57 0.00 0.00 179.45 178.96 2fy4 s ASP 253 N -7.02 6.46 0.22 0.86 -1.08 -0.72 -5.00 116.67 110.39 2fy4 s ASP 253 Ca -0.05 0.54 -0.08 0.00 -0.52 0.00 0.00 52.55 52.44 2fy4 s ASP 253 Cb 0.16 -2.15 0.19 0.00 -1.46 0.00 0.00 42.92 39.66 2fy4 s ASP 253 CO 0.69 0.23 1.87 -1.28 0.52 0.00 0.00 175.17 177.19 2fy4 h SER 254 N 5.91 1.03 -0.63 -0.34 0.87 -1.87 -2.05 113.55 116.47 2fy4 h SER 254 Ca -0.46 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.00 2fy4 h SER 254 Cb 1.19 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 2fy4 h SER 254 CO 0.69 0.80 0.30 0.74 -0.53 0.00 0.00 176.83 178.83 2fy4 h THR 255 N 1.18 1.22 -0.06 2.23 2.02 -1.94 -2.11 112.91 115.45 2fy4 h THR 255 Ca 0.31 -0.63 -0.19 0.00 0.77 0.00 0.00 66.41 66.67 2fy4 h THR 255 Cb -0.04 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2fy4 h THR 255 CO -0.06 0.26 -0.77 0.78 0.37 0.00 0.00 175.52 176.10 2fy4 h ASN 256 N 0.93 0.46 -0.91 4.18 2.35 -1.72 -2.83 115.58 118.04 2fy4 h ASN 256 Ca 0.23 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2fy4 h ASN 256 Cb 0.12 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 2fy4 h ASN 256 CO -0.03 1.07 0.58 0.03 -1.65 0.00 0.00 177.43 177.43 2fy4 h ARG 257 N 0.25 1.08 0.09 0.81 3.08 -0.89 -0.49 114.38 118.31 2fy4 h ARG 257 Ca -0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2fy4 h ARG 257 Cb 1.36 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2fy4 h ARG 257 CO 0.13 0.71 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.26 2fy4 h ASP 258 N 1.11 -0.11 -0.53 7.04 5.19 -1.33 -2.39 116.42 125.41 2fy4 h ASP 258 Ca 0.37 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 2fy4 h ASP 258 Cb 0.05 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 2fy4 h ASP 258 CO -0.14 0.23 0.32 0.28 -3.12 0.00 0.00 179.24 176.81 2fy4 h SER 259 N -0.45 0.52 0.08 6.45 0.02 -1.25 -1.31 113.55 117.61 2fy4 h SER 259 Ca -0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2fy4 h SER 259 Cb 0.38 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 2fy4 h SER 259 CO 0.02 0.37 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.82 2fy4 h LEU 260 N 0.64 -0.53 -0.70 5.07 3.38 -1.11 -1.62 115.31 120.44 2fy4 h LEU 260 Ca 0.21 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2fy4 h LEU 260 Cb 0.01 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 2fy4 h LEU 260 CO -0.09 -0.26 0.18 -0.78 0.09 0.00 0.00 178.44 177.58 2fy4 h ASP 261 N -0.35 0.05 -0.56 -0.43 3.58 -1.06 0.44 116.42 118.10 2fy4 h ASP 261 Ca 0.03 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2fy4 h ASP 261 Cb 0.38 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.55 2fy4 h ASP 261 CO -0.12 -0.00 0.30 0.24 -2.88 0.00 0.00 179.24 176.78 2fy4 h MET 262 N 0.29 0.56 -0.44 0.28 2.86 -0.61 0.07 114.93 117.95 2fy4 h MET 262 Ca 0.39 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 2fy4 h MET 262 Cb 0.62 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2fy4 h MET 262 CO -0.46 0.37 0.14 0.82 1.06 0.00 0.00 176.91 178.84 2fy4 h ILE 263 N 0.57 1.22 0.00 -1.22 2.04 0.02 -2.31 117.51 117.83 2fy4 h ILE 263 Ca 0.25 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2fy4 h ILE 263 Cb 0.14 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2fy4 h ILE 263 CO -0.16 0.26 -0.04 -0.33 0.00 0.00 0.00 178.15 177.88 2fy4 h GLU 264 N 0.57 0.00 -0.24 2.37 5.08 0.68 -2.80 114.58 120.24 2fy4 h GLU 264 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2fy4 h GLU 264 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2fy4 h GLU 264 CO -0.01 0.04 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 2fy4 n ARG 265 N -4.07 1.95 -1.16 2.33 1.74 -0.07 -4.77 116.66 112.62 2fy4 n ARG 265 Ca -0.03 -1.84 -0.29 0.00 -0.77 0.00 0.00 57.85 54.92 2fy4 n ARG 265 Cb 0.12 -1.35 0.18 0.00 -1.02 0.00 0.00 32.46 30.39 2fy4 n ARG 265 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fy4 h ILE 267 N -1.91 1.36 -1.76 0.00 2.04 -1.09 -3.47 117.51 112.68 2fy4 h ILE 267 Ca -0.55 -2.43 0.15 0.00 1.00 0.00 0.00 64.86 63.03 2fy4 h ILE 267 Cb 1.33 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 40.20 2fy4 h ILE 267 CO 0.57 0.72 0.40 0.00 0.00 0.00 0.00 178.15 179.85 2fy4 s LEU 269 N 0.00 2.57 -0.24 0.00 1.02 -0.62 -1.66 118.68 119.75 2fy4 s LEU 269 Ca 0.14 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 53.72 2fy4 s LEU 269 Cb -0.01 -1.45 0.06 0.00 0.02 0.00 0.00 46.19 44.81 2fy4 s LEU 269 CO 0.01 0.20 -0.04 -0.69 0.02 0.00 0.00 176.35 175.84 2fy4 s VAL 270 N -1.06 1.51 -0.37 -1.59 1.01 -0.46 -0.48 120.40 118.96 2fy4 s VAL 270 Ca 0.16 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 2fy4 s VAL 270 Cb -0.10 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2fy4 s VAL 270 CO 0.08 -0.15 0.26 0.00 0.00 0.00 0.00 175.10 175.29 2fy4 s LEU 272 N 1.69 4.62 0.44 0.00 1.43 -0.37 -0.42 118.68 126.08 2fy4 s LEU 272 Ca 0.05 -2.10 -0.23 0.00 -1.03 0.00 0.00 54.13 50.82 2fy4 s LEU 272 Cb -0.18 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.51 2fy4 s LEU 272 CO 0.10 -1.12 1.12 -1.81 0.23 0.00 0.00 176.35 174.87 2fy4 s ASP 273 N 3.84 6.36 0.75 2.29 1.11 -1.18 -4.50 116.67 125.34 2fy4 s ASP 273 Ca 0.39 2.20 -0.11 0.00 0.18 0.00 0.00 52.55 55.21 2fy4 s ASP 273 Cb -0.03 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.41 2fy4 s ASP 273 CO -0.07 -0.78 1.08 0.00 1.18 0.00 0.00 175.17 176.58 2fy4 s ALA 274 N -1.61 2.45 0.14 5.23 0.00 -1.26 -0.26 121.76 126.45 2fy4 s ALA 274 Ca 0.62 -0.02 -0.34 0.00 0.00 0.00 0.00 51.96 52.22 2fy4 s ALA 274 Cb -0.26 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 2fy4 s ALA 274 CO 0.32 -1.49 1.59 -2.30 0.00 0.00 0.00 175.76 173.88 2fy4 n PRO 275 N -3.29 2.11 -1.27 0.00 -0.02 -1.26 -4.52 135.00 126.74 2fy4 n PRO 275 Ca 0.07 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 2fy4 n PRO 275 Cb 0.55 -2.53 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2fy4 n PRO 275 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2fy4 s GLY 276 N 1.15 1.67 -0.13 -1.23 0.00 -1.26 -4.99 107.32 102.53 2fy4 s GLY 276 Ca 0.80 0.22 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 2fy4 s GLY 276 CO 0.39 0.58 0.47 -1.33 0.00 0.00 0.00 173.10 173.21 2fy4 h GLY 277 N -1.15 0.20 -0.85 0.20 0.00 -2.00 -3.48 103.07 96.00 2fy4 h GLY 277 Ca -0.44 -0.52 -0.44 0.00 0.00 0.00 0.00 47.33 45.93 2fy4 h GLY 277 CO 0.52 0.45 0.38 -1.34 0.00 0.00 0.00 176.54 176.55 2fy4 s VAL 278 N -2.45 1.93 0.66 4.60 -7.23 -1.26 -5.03 120.40 111.62 2fy4 s VAL 278 Ca -0.22 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.78 2fy4 s VAL 278 Cb 0.05 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.07 2fy4 s VAL 278 CO 0.72 0.00 1.21 -1.61 -0.31 0.00 0.00 175.10 175.12 2fy4 s GLU 279 N -5.82 2.58 -0.94 4.82 2.02 -1.26 -4.93 118.70 115.17 2fy4 s GLU 279 Ca 0.74 1.81 -0.05 0.00 0.02 0.00 0.00 54.97 57.48 2fy4 s GLU 279 Cb -0.05 -1.88 0.06 0.00 0.10 0.00 0.00 34.13 32.36 2fy4 s GLU 279 CO 0.54 -1.50 2.66 1.28 0.02 0.00 0.00 175.26 178.25 2fy4 n LEU 280 N -2.12 7.35 -4.88 1.80 4.77 -1.26 -4.69 117.00 117.97 2fy4 n LEU 280 Ca 0.14 -4.44 -0.30 0.00 -0.03 0.00 0.00 56.01 51.38 2fy4 n LEU 280 Cb 0.50 -1.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.26 2fy4 n LEU 280 CO 0.46 1.92 0.64 -0.94 -1.33 0.00 0.00 177.39 178.15 2fy4 s SER 281 N 0.61 6.19 0.27 -1.43 1.04 -1.26 -4.80 113.70 114.33 2fy4 s SER 281 Ca 0.58 1.26 0.01 0.00 0.48 0.00 0.00 55.95 58.27 2fy4 s SER 281 Cb 0.27 -2.37 0.59 0.00 0.10 0.00 0.00 66.02 64.61 2fy4 s SER 281 CO -0.13 -0.82 1.76 0.44 0.98 0.00 0.00 173.24 175.46 2fy4 h ASP 282 N -0.19 0.55 0.30 7.02 3.32 -1.96 0.20 116.42 125.66 2fy4 h ASP 282 Ca -0.45 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 2fy4 h ASP 282 Cb 1.20 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2fy4 h ASP 282 CO 0.62 0.20 -0.14 0.74 -1.72 0.00 0.00 179.24 178.94 2fy4 h THR 283 N 0.62 0.72 -0.68 0.35 2.02 -1.92 -1.74 112.91 112.27 2fy4 h THR 283 Ca 0.49 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.52 2fy4 h THR 283 Cb 0.74 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2fy4 h THR 283 CO -0.39 0.02 0.22 0.45 0.37 0.00 0.00 175.52 176.19 2fy4 h HIS 284 N -0.46 1.07 0.00 3.16 3.86 -1.59 -1.29 115.15 119.90 2fy4 h HIS 284 Ca -0.04 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 2fy4 h HIS 284 Cb 0.34 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2fy4 h HIS 284 CO -0.04 0.85 -0.19 0.00 0.86 0.00 0.00 177.93 179.41 2fy4 h ARG 285 N 1.01 0.00 0.13 2.45 3.08 -0.55 -2.17 114.38 118.33 2fy4 h ARG 285 Ca 0.22 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.00 2fy4 h ARG 285 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2fy4 h ARG 285 CO -0.01 0.19 -1.26 0.00 -1.07 0.00 0.00 179.97 177.83 2fy4 h ALA 286 N 1.81 0.09 -0.84 0.04 0.00 -0.61 -2.95 119.26 116.79 2fy4 h ALA 286 Ca -0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 2fy4 h ALA 286 Cb 0.45 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2fy4 h ALA 286 CO 0.02 0.97 0.50 -0.07 0.00 0.00 0.00 179.25 180.68 2fy4 h LEU 287 N 0.08 1.01 -0.65 0.00 3.38 -0.66 0.13 115.31 118.61 2fy4 h LEU 287 Ca -0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2fy4 h LEU 287 Cb 1.98 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 2fy4 h LEU 287 CO 0.21 0.79 0.34 -0.61 0.09 0.00 0.00 178.44 179.25 2fy4 h GLN 288 N 1.16 0.91 -0.02 1.13 4.15 -1.43 -1.68 115.11 119.32 2fy4 h GLN 288 Ca 0.30 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.49 2fy4 h GLN 288 Cb -0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 2fy4 h GLN 288 CO -0.06 0.70 -0.52 -0.07 -1.93 0.00 0.00 178.83 176.95 2fy4 h LEU 289 N 0.88 0.07 0.06 -2.39 -0.00 -1.22 0.38 115.31 113.09 2fy4 h LEU 289 Ca 0.23 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2fy4 h LEU 289 Cb 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2fy4 h LEU 289 CO -0.03 0.58 -0.03 -0.07 -0.00 0.00 0.00 178.44 178.89 2fy4 h LEU 290 N 0.05 -0.06 -1.12 1.67 3.38 -0.27 -3.42 115.31 115.54 2fy4 h LEU 290 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2fy4 h LEU 290 Cb 0.95 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2fy4 h LEU 290 CO 0.07 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2fy4 n HIS 291 N -4.80 0.00 -0.45 1.13 1.44 -0.68 -4.16 115.22 107.70 2fy4 n HIS 291 Ca -0.08 -0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 2fy4 n HIS 291 Cb 0.31 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.41 2fy4 n HIS 291 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fy4 n GLY 292 N -0.10 1.13 1.18 -1.39 0.00 0.13 -3.07 105.19 103.08 2fy4 n GLY 292 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fy4 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy4 n GLY 293 N -2.00 0.70 0.00 -0.02 0.00 -1.26 -1.43 105.19 101.18 2fy4 n GLY 293 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2fy4 n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy4 n GLY 294 N -2.59 0.27 0.34 -0.02 0.00 -1.17 -4.34 105.19 97.67 2fy4 n GLY 294 Ca 0.00 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.35 2fy4 n GLY 294 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2fy4 h TYR 295 N 0.00 0.00 0.00 1.61 3.20 -1.87 0.64 116.97 120.55 2fy4 h TYR 295 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fy4 h TYR 295 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2fy4 h TYR 295 CO 0.00 0.00 0.00 -1.13 -1.64 0.00 0.00 178.16 175.39 2fy4 n SER 296 N -4.33 0.00 0.00 -2.11 3.41 -1.26 -4.59 113.62 104.74 2fy4 n SER 296 Ca 0.05 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 2fy4 n SER 296 Cb 0.42 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2fy4 n SER 296 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fy4 n LYS 297 N -1.09 0.00 -0.13 4.33 4.76 -0.31 -5.01 118.16 120.72 2fy4 n LYS 297 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2fy4 n LYS 297 Cb 0.12 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 2fy4 n LYS 297 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2fy4 n ASN 298 N -0.76 0.00 0.33 4.39 3.02 -0.51 -4.69 115.26 117.04 2fy4 n ASN 298 Ca 0.00 -1.22 0.21 0.00 -0.03 0.00 0.00 54.58 53.54 2fy4 n ASN 298 Cb 0.00 -0.04 1.13 0.00 -0.61 0.00 0.00 39.78 40.26 2fy4 n ASN 298 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2fy4 h GLY 299 N 0.00 0.00 0.00 7.41 0.00 -0.91 -2.35 103.07 107.21 2fy4 h GLY 299 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fy4 h GLY 299 CO 0.00 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.67 2fy4 n ALA 300 N -2.15 4.21 -0.96 3.60 0.00 -1.26 -4.50 120.51 119.44 2fy4 n ALA 300 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 2fy4 n ALA 300 Cb 0.08 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 2fy4 n ALA 300 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2fy4 n ASN 301 N -1.45 5.30 -3.39 0.00 5.15 -0.89 -4.08 115.26 115.91 2fy4 n ASN 301 Ca 0.03 -2.50 -0.14 0.00 -0.60 0.00 0.00 54.58 51.37 2fy4 n ASN 301 Cb 0.28 -1.38 -0.05 0.00 -0.53 0.00 0.00 39.78 38.11 2fy4 n ASN 301 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2fy4 s ARG 302 N 0.77 1.83 -0.51 1.20 1.81 -1.26 -4.87 118.95 117.92 2fy4 s ARG 302 Ca 0.58 -1.69 0.07 0.00 -1.72 0.00 0.00 55.73 52.97 2fy4 s ARG 302 Cb 0.28 0.44 0.19 0.00 -0.45 0.00 0.00 34.95 35.41 2fy4 s ARG 302 CO -0.01 -0.75 0.74 -0.46 -0.68 0.00 0.00 175.30 174.14 2fy4 s TRP 303 N -3.23 -1.59 0.65 -0.53 -0.11 -1.26 -4.36 118.94 108.50 2fy4 s TRP 303 Ca 0.30 -0.50 0.35 0.00 1.22 0.00 0.00 56.10 57.47 2fy4 s TRP 303 Cb -0.00 0.31 1.96 0.00 -1.50 0.00 0.00 33.47 34.24 2fy4 s TRP 303 CO 0.18 -1.24 2.15 1.88 -4.62 0.00 0.00 176.95 175.31 2fy4 h TYR 304 N 5.10 0.00 -0.11 5.86 -1.99 -1.87 -2.17 116.97 121.80 2fy4 h TYR 304 Ca 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 2fy4 h TYR 304 Cb 1.12 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.84 2fy4 h TYR 304 CO 0.10 0.00 -0.12 -0.44 -0.00 0.00 0.00 178.16 177.70 2fy4 h ASP 305 N 0.00 0.16 -3.61 3.88 3.32 -1.84 -3.43 116.42 114.91 2fy4 h ASP 305 Ca 0.02 -0.03 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2fy4 h ASP 305 Cb 0.35 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.88 2fy4 h ASP 305 CO -0.00 0.31 0.54 -0.75 -1.72 0.00 0.00 179.24 177.61 2fy4 s LYS 306 N -4.75 4.53 0.16 3.56 2.47 -0.82 -1.08 119.74 123.81 2fy4 s LYS 306 Ca -0.05 1.88 -0.16 0.00 -1.56 0.00 0.00 55.97 56.08 2fy4 s LYS 306 Cb 0.16 -3.21 0.09 0.00 -1.46 0.00 0.00 37.83 33.41 2fy4 s LYS 306 CO 0.72 -0.00 1.73 0.77 0.16 0.00 0.00 175.35 178.73 2fy4 h SER 307 N 4.69 0.02 -3.27 1.43 0.02 -1.82 -3.39 113.55 111.23 2fy4 h SER 307 Ca -0.45 0.06 -0.64 0.00 -0.84 0.00 0.00 61.79 59.92 2fy4 h SER 307 Cb 1.21 0.08 -0.34 0.00 0.14 0.00 0.00 62.40 63.50 2fy4 h SER 307 CO 0.72 0.05 -0.86 -0.76 -1.14 0.00 0.00 176.83 174.84 2fy4 s LEU 308 N -10.39 1.97 -0.32 5.07 1.43 -1.26 -0.48 118.68 114.69 2fy4 s LEU 308 Ca -0.13 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2fy4 s LEU 308 Cb 0.13 -1.29 0.10 0.00 0.03 0.00 0.00 46.19 45.15 2fy4 s LEU 308 CO 0.71 0.08 0.05 -1.10 0.23 0.00 0.00 176.35 176.33 2fy4 s GLN 309 N 0.72 1.28 -0.16 1.70 -0.21 -0.39 -1.58 119.66 121.02 2fy4 s GLN 309 Ca -0.11 -1.55 -0.27 0.00 0.02 0.00 0.00 55.36 53.45 2fy4 s GLN 309 Cb -0.16 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 2fy4 s GLN 309 CO 0.02 -0.92 0.91 -0.06 -2.12 0.00 0.00 175.29 173.12 2fy4 s PHE 310 N 1.16 3.43 -0.23 0.91 0.40 0.37 -0.44 117.98 123.59 2fy4 s PHE 310 Ca 0.09 1.38 -0.09 0.00 -0.60 0.00 0.00 56.93 57.70 2fy4 s PHE 310 Cb -0.18 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 2fy4 s PHE 310 CO -0.13 -0.27 0.12 0.08 0.70 0.00 0.00 175.22 175.72 2fy4 s VAL 311 N 2.27 5.07 -0.42 -0.44 1.01 0.24 0.82 120.40 128.95 2fy4 s VAL 311 Ca 0.42 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2fy4 s VAL 311 Cb -0.17 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 32.99 2fy4 s VAL 311 CO 0.13 0.37 0.22 -0.69 0.00 0.00 0.00 175.10 175.12 2fy4 s VAL 312 N 1.00 1.30 0.44 2.92 1.01 0.45 -1.66 120.40 125.86 2fy4 s VAL 312 Ca 0.06 -2.38 -0.17 0.00 0.00 0.00 0.00 61.98 59.49 2fy4 s VAL 312 Cb -0.14 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 2fy4 s VAL 312 CO 0.04 -0.87 0.91 -0.83 0.00 0.00 0.00 175.10 174.35 2fy4 s GLY 313 N 0.54 2.23 0.32 4.51 0.00 -0.42 -3.09 107.32 111.40 2fy4 s GLY 313 Ca 0.17 0.21 0.06 0.00 0.00 0.00 0.00 44.72 45.16 2fy4 s GLY 313 CO -0.02 0.46 1.81 -0.09 0.00 0.00 0.00 173.10 175.26 2fy4 h ARG 314 N 1.57 0.76 -0.00 2.90 9.65 -0.86 -1.48 114.38 126.92 2fy4 h ARG 314 Ca -0.48 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2fy4 h ARG 314 Cb 1.18 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2fy4 h ARG 314 CO 0.62 0.50 -0.03 -0.40 2.80 0.00 0.00 179.97 183.47 2fy4 n ASP 315 N -4.67 0.26 0.00 -3.80 5.68 -1.26 -4.58 116.55 108.17 2fy4 n ASP 315 Ca 0.21 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 2fy4 n ASP 315 Cb 0.52 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2fy4 n ASP 315 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fy4 n GLY 316 N 1.15 0.67 3.61 6.12 0.00 -0.56 -4.61 105.19 111.57 2fy4 n GLY 316 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2fy4 n GLY 316 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fy4 s THR 317 N -2.00 4.26 0.18 2.61 2.01 -1.26 -1.43 115.64 120.01 2fy4 s THR 317 Ca 0.00 1.35 0.05 0.00 0.31 0.00 0.00 61.69 63.40 2fy4 s THR 317 Cb 0.00 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 2fy4 s THR 317 CO 0.00 -0.82 -0.10 0.00 -0.69 0.00 0.00 174.62 173.01 2fy4 n GLY 319 N -0.29 -0.51 3.09 0.00 0.00 -0.66 -1.27 105.19 105.55 2fy4 n GLY 319 Ca -0.09 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 2fy4 n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy4 s VAL 320 N -3.26 -0.11 -0.09 1.61 0.11 0.26 -0.59 120.40 118.33 2fy4 s VAL 320 Ca 0.00 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 2fy4 s VAL 320 Cb 0.00 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2fy4 s VAL 320 CO 0.00 0.07 0.57 -0.69 -3.33 0.00 0.00 175.10 171.72 2fy4 s VAL 321 N 1.50 5.11 -0.07 2.04 1.01 0.41 -1.72 120.40 128.69 2fy4 s VAL 321 Ca -0.08 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.12 2fy4 s VAL 321 Cb -0.10 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2fy4 s VAL 321 CO -0.09 0.31 -0.24 0.00 0.00 0.00 0.00 175.10 175.07 2fy4 s GLU 323 N 0.02 4.20 0.28 0.00 -6.30 0.36 -2.68 118.70 114.58 2fy4 s GLU 323 Ca -0.09 0.99 -0.01 0.00 -2.50 0.00 0.00 54.97 53.36 2fy4 s GLU 323 Cb -0.15 -3.64 0.40 0.00 0.00 0.00 0.00 34.13 30.74 2fy4 s GLU 323 CO 0.05 -0.52 1.82 1.25 0.02 0.00 0.00 175.26 177.88 2fy4 h HIS 324 N 7.64 0.83 -0.79 5.30 -0.00 -1.85 -3.37 115.15 122.92 2fy4 h HIS 324 Ca -0.23 -0.08 0.16 0.00 -0.00 0.00 0.00 60.37 60.22 2fy4 h HIS 324 Cb 1.09 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 28.21 2fy4 h HIS 324 CO 0.75 0.72 0.53 0.66 -0.00 0.00 0.00 177.93 180.58 2fy4 h SER 325 N 0.77 0.39 0.90 3.26 4.64 -1.93 -2.88 113.55 118.70 2fy4 h SER 325 Ca 0.17 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2fy4 h SER 325 Cb 0.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2fy4 h SER 325 CO 0.00 0.19 -0.56 -0.81 -0.87 0.00 0.00 176.83 174.78 2fy4 n PRO 326 N -4.48 0.27 -3.57 4.77 -0.04 -1.26 -4.98 135.00 125.70 2fy4 n PRO 326 Ca 0.15 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.65 2fy4 n PRO 326 Cb 0.57 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2fy4 n PRO 326 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2fy4 s PHE 327 N -3.15 -0.23 0.40 0.54 -0.12 -1.09 -4.76 117.98 109.57 2fy4 s PHE 327 Ca 0.07 0.10 0.08 0.00 -0.05 0.00 0.00 56.93 57.12 2fy4 s PHE 327 Cb 0.14 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 2fy4 s PHE 327 CO 0.71 -0.46 0.53 -0.51 -0.05 0.00 0.00 175.22 175.43 2fy4 s ASP 328 N -2.50 5.71 0.52 1.98 1.01 -1.26 -4.72 116.67 117.40 2fy4 s ASP 328 Ca 0.08 -0.37 0.25 0.00 0.71 0.00 0.00 52.55 53.22 2fy4 s ASP 328 Cb -0.01 -0.81 1.36 0.00 1.01 0.00 0.00 42.92 44.47 2fy4 s ASP 328 CO -0.06 -0.66 1.97 1.23 0.21 0.00 0.00 175.17 177.86 2fy4 h GLY 329 N 0.73 0.11 0.64 0.21 0.00 -1.98 -2.65 103.07 100.13 2fy4 h GLY 329 Ca -0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2fy4 h GLY 329 CO 0.48 0.01 -0.04 -2.22 0.00 0.00 0.00 176.54 174.76 2fy4 h ILE 330 N 0.06 1.12 -0.77 2.60 1.08 -1.95 0.45 117.51 120.09 2fy4 h ILE 330 Ca 0.30 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2fy4 h ILE 330 Cb 1.11 1.61 -0.05 0.00 -3.07 0.00 0.00 36.82 36.43 2fy4 h ILE 330 CO -0.02 0.19 0.49 0.58 -0.69 0.00 0.00 178.15 178.70 2fy4 h VAL 331 N -0.48 1.10 -0.27 1.67 2.07 -1.94 -1.75 116.25 116.65 2fy4 h VAL 331 Ca -0.01 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2fy4 h VAL 331 Cb 0.40 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2fy4 h VAL 331 CO 0.02 0.17 0.15 0.25 0.02 0.00 0.00 177.57 178.18 2fy4 h LEU 332 N 0.94 0.22 -1.05 2.57 5.85 -1.30 -2.40 115.31 120.15 2fy4 h LEU 332 Ca 0.32 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 2fy4 h LEU 332 Cb 0.04 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2fy4 h LEU 332 CO -0.12 0.17 0.25 0.58 -0.34 0.00 0.00 178.44 178.97 2fy4 h VAL 333 N 0.30 1.22 -0.67 1.05 2.07 -0.38 -0.97 116.25 118.87 2fy4 h VAL 333 Ca 0.11 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2fy4 h VAL 333 Cb 0.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2fy4 h VAL 333 CO -0.07 0.28 0.25 1.56 0.02 0.00 0.00 177.57 179.62 2fy4 h GLN 334 N 0.91 1.02 0.40 1.57 1.08 -1.09 0.89 115.11 119.89 2fy4 h GLN 334 Ca 0.21 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2fy4 h GLN 334 Cb 0.18 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2fy4 h GLN 334 CO -0.02 0.86 -0.19 0.00 -0.95 0.00 0.00 178.83 178.53 2fy4 h THR 336 N -0.71 1.02 -0.12 0.00 1.35 -1.06 0.61 112.91 114.00 2fy4 h THR 336 Ca -0.05 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 2fy4 h THR 336 Cb 0.50 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2fy4 h THR 336 CO 0.09 0.10 0.03 -0.33 -0.25 0.00 0.00 175.52 175.16 2fy4 h GLU 337 N 0.53 0.16 -0.14 4.72 5.08 -0.82 0.65 114.58 124.76 2fy4 h GLU 337 Ca 0.19 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2fy4 h GLU 337 Cb 0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2fy4 h GLU 337 CO -0.10 0.15 -0.27 1.25 -1.00 0.00 0.00 179.01 179.04 2fy4 h HIS 338 N 0.17 0.55 0.15 4.33 2.76 -0.37 -1.40 115.15 121.34 2fy4 h HIS 338 Ca 0.04 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 2fy4 h HIS 338 Cb 0.06 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2fy4 h HIS 338 CO 0.00 0.89 -0.27 -0.07 -1.30 0.00 0.00 177.93 177.18 2fy4 h LEU 339 N 0.05 -0.77 -1.42 0.26 3.38 0.12 0.25 115.31 117.18 2fy4 h LEU 339 Ca 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2fy4 h LEU 339 Cb 0.86 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2fy4 h LEU 339 CO 0.06 -0.37 0.33 -0.07 0.09 0.00 0.00 178.44 178.48 2fy4 h LEU 340 N -0.51 0.63 -0.73 1.67 3.38 -0.94 -1.34 115.31 117.48 2fy4 h LEU 340 Ca 0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2fy4 h LEU 340 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2fy4 h LEU 340 CO -0.14 0.48 -0.18 0.50 0.09 0.00 0.00 178.44 179.20 2fy4 h LYS 341 N 0.73 0.78 0.00 1.13 3.64 -0.71 -2.20 116.57 119.95 2fy4 h LYS 341 Ca 0.19 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2fy4 h LYS 341 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2fy4 h LYS 341 CO -0.04 0.91 -0.18 1.25 -2.27 0.00 0.00 179.45 179.12 2fy4 h HIS 342 N 0.69 0.00 0.00 1.91 2.76 0.10 -0.54 115.15 120.08 2fy4 h HIS 342 Ca 0.10 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2fy4 h HIS 342 Cb 0.68 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 2fy4 h HIS 342 CO 0.04 0.18 -0.02 0.52 -1.30 0.00 0.00 177.93 177.34 2fy4 h MET 343 N 0.00 0.00 0.06 5.26 2.86 -0.71 -2.73 114.93 119.67 2fy4 h MET 343 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 2fy4 h MET 343 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2fy4 h MET 343 CO 0.02 0.02 -1.10 1.15 1.06 0.00 0.00 176.91 178.06 2fy4 h THR 344 N 0.00 1.61 -3.64 2.22 2.02 -0.81 -3.45 112.91 110.85 2fy4 h THR 344 Ca -0.00 -3.22 -0.51 0.00 0.77 0.00 0.00 66.41 63.45 2fy4 h THR 344 Cb 0.88 2.87 0.01 0.00 -1.74 0.00 0.00 68.15 70.17 2fy4 h THR 344 CO 0.00 0.93 0.47 -1.10 0.37 0.00 0.00 175.52 176.19 2fy4 s GLN 345 N -2.71 4.62 0.26 6.66 -1.52 -0.59 -4.97 119.66 121.41 2fy4 s GLN 345 Ca -0.01 1.74 -0.29 0.00 -1.95 0.00 0.00 55.36 54.84 2fy4 s GLN 345 Cb 0.09 -3.25 -0.15 0.00 -0.22 0.00 0.00 33.01 29.48 2fy4 s GLN 345 CO 0.85 0.14 0.97 -0.35 -0.25 0.00 0.00 175.29 176.65 2fy4 n PRO 346 N 1.97 1.15 -1.83 2.91 -0.04 -1.26 -4.91 135.00 132.99 2fy4 n PRO 346 Ca 0.01 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.46 2fy4 n PRO 346 Cb 0.46 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 2fy4 n PRO 346 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fy4 s GLU 349 N -1.30 4.02 0.15 0.54 2.02 -1.26 -4.98 118.70 117.89 2fy4 s GLU 349 Ca 0.62 2.30 -0.02 0.00 0.02 0.00 0.00 54.97 57.88 2fy4 s GLU 349 Cb -0.75 -4.11 0.04 0.00 0.10 0.00 0.00 34.13 29.41 2fy4 s GLU 349 CO 0.58 -1.07 0.11 -0.11 0.02 0.00 0.00 175.26 174.79 2fy4 n LEU 350 N 7.92 0.00 -4.70 1.80 7.94 -1.26 -5.00 117.00 123.70 2fy4 n LEU 350 Ca 0.20 -0.12 -0.29 0.00 -1.11 0.00 0.00 56.01 54.69 2fy4 n LEU 350 Cb 0.42 -0.11 0.15 0.00 0.53 0.00 0.00 43.42 44.41 2fy4 n LEU 350 CO 0.65 -1.36 0.66 -0.69 -1.11 0.00 0.00 177.39 175.54 2fy4 s VAL 351 N -1.18 2.45 0.46 1.96 1.01 -1.26 -4.99 120.40 118.86 2fy4 s VAL 351 Ca 0.08 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2fy4 s VAL 351 Cb -0.01 -2.63 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 2fy4 s VAL 351 CO 0.06 -0.19 0.98 -0.13 0.00 0.00 0.00 175.10 175.82 2fy4 s ARG 352 N -4.94 4.07 -0.25 2.72 0.52 -1.26 -4.98 118.95 114.82 2fy4 s ARG 352 Ca 0.64 1.17 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 2fy4 s ARG 352 Cb -0.18 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.20 2fy4 s ARG 352 CO 0.57 -0.18 -0.05 -1.54 0.02 0.00 0.00 175.30 174.12 2fy4 s SER 353 N -2.22 4.07 -0.14 0.23 1.04 -1.26 -5.05 113.70 110.37 2fy4 s SER 353 Ca 0.63 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 2fy4 s SER 353 Cb -0.11 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.69 2fy4 s SER 353 CO 0.17 -0.24 -0.03 -2.16 0.98 0.00 0.00 173.24 171.96 2fy4 s PRO 354 N 1.30 3.56 -0.35 4.02 0.04 -1.26 -2.15 135.00 140.16 2fy4 s PRO 354 Ca -0.05 -0.49 -0.02 0.00 0.04 0.00 0.00 61.00 60.48 2fy4 s PRO 354 Cb -0.19 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.52 2fy4 s PRO 354 CO -0.07 0.33 0.08 1.41 0.04 0.00 0.00 177.00 178.79 2fy4 s MET 355 N 0.14 2.16 -0.16 4.56 1.75 -1.26 -5.05 119.30 121.43 2fy4 s MET 355 Ca -0.01 -1.55 -0.00 0.00 -1.25 0.00 0.00 55.69 52.89 2fy4 s MET 355 Cb -0.13 -3.34 0.04 0.00 2.84 0.00 0.00 34.83 34.24 2fy4 s MET 355 CO 0.03 -0.83 -0.08 0.08 -0.65 0.00 0.00 175.02 173.57 2fy4 s VAL 356 N 1.17 1.26 0.13 10.11 1.01 -1.26 -2.37 120.40 130.45 2fy4 s VAL 356 Ca 0.02 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2fy4 s VAL 356 Cb -0.21 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 2fy4 s VAL 356 CO -0.03 0.21 0.67 -2.16 0.00 0.00 0.00 175.10 173.79 2fy4 s PRO 357 N 1.58 4.35 -0.79 2.72 0.04 -1.26 -5.13 135.00 136.50 2fy4 s PRO 357 Ca 0.01 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 61.79 2fy4 s PRO 357 Cb -0.15 -3.21 0.14 0.00 0.04 0.00 0.00 34.50 31.32 2fy4 s PRO 357 CO -0.08 0.59 0.92 -1.17 0.04 0.00 0.00 177.00 177.30 2fy4 s LEU 359 N -1.22 5.44 0.85 -3.56 2.96 -1.00 -5.05 118.68 117.10 2fy4 s LEU 359 Ca 0.33 -1.92 -0.14 0.00 -0.22 0.00 0.00 54.13 52.18 2fy4 s LEU 359 Cb -0.21 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.15 2fy4 s LEU 359 CO 0.22 -1.01 0.44 -2.65 -1.32 0.00 0.00 176.35 172.03 2fy4 n PRO 360 N 6.06 -0.00 -3.23 0.98 -0.02 -1.26 -4.97 135.00 132.56 2fy4 n PRO 360 Ca 0.10 0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.24 2fy4 n PRO 360 Cb 0.47 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 2fy4 n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fy4 s ALA 361 N -2.16 3.57 0.39 3.55 0.00 -1.26 -5.03 121.76 120.82 2fy4 s ALA 361 Ca 0.61 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 2fy4 s ALA 361 Cb -0.27 -2.69 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 2fy4 s ALA 361 CO 0.63 0.38 1.25 -2.30 0.00 0.00 0.00 175.76 175.73 2fy4 n PRO 362 N 1.69 1.94 -3.31 0.00 -0.02 -1.26 -4.97 135.00 129.06 2fy4 n PRO 362 Ca -0.10 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 2fy4 n PRO 362 Cb 0.50 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 2fy4 n PRO 362 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2fy4 s ARG 363 N -2.06 4.34 -0.14 -0.52 0.52 -1.11 -4.88 118.95 115.10 2fy4 s ARG 363 Ca 0.59 0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 56.02 2fy4 s ARG 363 Cb -0.54 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.48 2fy4 s ARG 363 CO 0.59 0.17 0.77 0.50 0.02 0.00 0.00 175.30 177.35 2fy4 s ARG 364 N 0.59 4.33 0.11 3.54 3.52 -1.26 0.31 118.95 130.09 2fy4 s ARG 364 Ca 0.26 0.93 -0.31 0.00 -0.13 0.00 0.00 55.73 56.48 2fy4 s ARG 364 Cb -0.15 -3.54 -0.08 0.00 -1.56 0.00 0.00 34.95 29.62 2fy4 s ARG 364 CO 0.11 -0.20 1.50 -0.51 -0.81 0.00 0.00 175.30 175.39 2fy4 s LEU 365 N 1.70 4.36 0.12 -0.88 1.43 -0.13 -4.96 118.68 120.32 2fy4 s LEU 365 Ca 0.37 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 2fy4 s LEU 365 Cb -0.17 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 2fy4 s LEU 365 CO 0.14 -0.76 0.47 -0.13 0.23 0.00 0.00 176.35 176.30 2fy4 s ARG 366 N 1.54 3.84 -0.03 1.70 0.52 -1.26 -4.80 118.95 120.46 2fy4 s ARG 366 Ca 0.68 0.29 0.03 0.00 -0.52 0.00 0.00 55.73 56.21 2fy4 s ARG 366 Cb -0.39 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2fy4 s ARG 366 CO 0.31 0.50 -0.10 -1.58 0.02 0.00 0.00 175.30 174.45 2fy4 s TRP 367 N -1.47 1.07 -0.73 -0.53 0.52 -1.26 -4.47 118.94 112.07 2fy4 s TRP 367 Ca 0.36 -0.28 -0.12 0.00 0.02 0.00 0.00 56.10 56.08 2fy4 s TRP 367 Cb -0.14 -0.76 0.19 0.00 -1.15 0.00 0.00 33.47 31.61 2fy4 s TRP 367 CO 0.19 -0.12 0.65 0.15 0.02 0.00 0.00 176.95 177.84 2fy4 s LYS 368 N 0.21 3.26 0.49 4.98 -0.14 -1.26 -4.97 119.74 122.32 2fy4 s LYS 368 Ca -0.04 -2.34 -0.16 0.00 -1.36 0.00 0.00 55.97 52.07 2fy4 s LYS 368 Cb -0.09 -4.25 -0.08 0.00 -1.68 0.00 0.00 37.83 31.72 2fy4 s LYS 368 CO 0.01 -1.27 0.96 0.00 -0.76 0.00 0.00 175.35 174.29 2fy4 s SER 370 N -2.97 2.34 0.28 0.00 1.04 -1.26 -5.03 113.70 108.10 2fy4 s SER 370 Ca 0.58 -1.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 2fy4 s SER 370 Cb -0.10 0.54 0.39 0.00 0.10 0.00 0.00 66.02 66.96 2fy4 s SER 370 CO 0.29 -0.99 1.90 -0.65 0.98 0.00 0.00 173.24 174.77 2fy4 h PRO 371 N 1.92 1.02 0.19 4.02 0.11 -1.99 -2.20 132.00 135.07 2fy4 h PRO 371 Ca -0.31 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2fy4 h PRO 371 Cb 1.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2fy4 h PRO 371 CO 0.49 0.76 -0.17 0.93 -0.21 0.00 0.00 178.00 179.80 2fy4 h GLU 372 N 1.03 -0.34 -1.11 1.05 5.08 -2.00 -2.51 114.58 115.77 2fy4 h GLU 372 Ca 0.26 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.97 2fy4 h GLU 372 Cb 0.04 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.25 2fy4 h GLU 372 CO -0.04 -0.22 0.70 0.82 -1.00 0.00 0.00 179.01 179.26 2fy4 h ILE 373 N -0.35 0.35 -0.86 3.13 1.08 -1.93 0.59 117.51 119.51 2fy4 h ILE 373 Ca -0.02 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2fy4 h ILE 373 Cb 0.30 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 2fy4 h ILE 373 CO -0.01 0.05 0.57 -0.61 -0.69 0.00 0.00 178.15 177.46 2fy4 h GLN 374 N 0.29 1.14 -0.32 2.37 5.75 -1.01 0.16 115.11 123.50 2fy4 h GLN 374 Ca 0.70 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 59.01 2fy4 h GLN 374 Cb 1.85 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 30.14 2fy4 h GLN 374 CO -0.41 0.76 -0.26 0.78 -2.65 0.00 0.00 178.83 177.05 2fy4 h GLY 375 N 1.18 0.80 1.26 2.39 0.00 0.57 -2.70 103.07 106.56 2fy4 h GLY 375 Ca 0.32 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2fy4 h GLY 375 CO -0.07 0.71 0.38 0.45 0.00 0.00 0.00 176.54 178.01 2fy4 h HIS 376 N 0.50 0.95 -0.68 5.60 3.86 -0.76 -1.70 115.15 122.92 2fy4 h HIS 376 Ca 0.06 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 2fy4 h HIS 376 Cb 0.82 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 2fy4 h HIS 376 CO 0.07 0.67 0.14 -0.07 0.86 0.00 0.00 177.93 179.59 2fy4 h LEU 377 N 0.98 1.06 -0.19 2.43 3.38 -0.90 -1.27 115.31 120.79 2fy4 h LEU 377 Ca 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2fy4 h LEU 377 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2fy4 h LEU 377 CO -0.04 1.03 0.07 0.00 0.09 0.00 0.00 178.44 179.59 2fy4 h ALA 378 N 1.09 0.25 0.07 1.53 0.00 -1.06 -0.28 119.26 120.86 2fy4 h ALA 378 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2fy4 h ALA 378 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2fy4 h ALA 378 CO 0.01 -0.16 -0.09 0.77 0.00 0.00 0.00 179.25 179.77 2fy4 h SER 379 N 0.15 -0.25 -0.98 0.00 0.02 -1.16 -1.59 113.55 109.74 2fy4 h SER 379 Ca 0.06 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2fy4 h SER 379 Cb 0.18 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 2fy4 h SER 379 CO -0.00 -0.14 0.64 0.28 -1.14 0.00 0.00 176.83 176.46 2fy4 h SER 380 N -0.19 1.03 -0.49 3.07 0.02 -1.14 0.41 113.55 116.25 2fy4 h SER 380 Ca 0.01 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2fy4 h SER 380 Cb 0.20 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2fy4 h SER 380 CO -0.04 0.67 0.32 0.00 -1.14 0.00 0.00 176.83 176.64 2fy4 h ALA 381 N 1.46 0.63 -0.40 3.77 0.00 -0.67 0.51 119.26 124.55 2fy4 h ALA 381 Ca 0.41 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 2fy4 h ALA 381 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2fy4 h ALA 381 CO -0.15 0.05 -0.19 1.49 0.00 0.00 0.00 179.25 180.45 2fy4 h GLU 382 N 0.65 0.83 -0.69 0.00 4.57 -0.19 -2.01 114.58 117.74 2fy4 h GLU 382 Ca 0.19 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 2fy4 h GLU 382 Cb -0.05 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2fy4 h GLU 382 CO -0.05 1.00 0.21 0.87 -1.18 0.00 0.00 179.01 179.85 2fy4 h LYS 383 N 0.64 1.09 -0.46 1.92 1.79 0.07 -2.67 116.57 118.95 2fy4 h LYS 383 Ca 0.09 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.25 2fy4 h LYS 383 Cb 0.75 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 2fy4 h LYS 383 CO 0.06 0.94 0.02 1.25 -1.08 0.00 0.00 179.45 180.64 2fy4 h LEU 384 N 1.02 0.78 -1.39 2.94 7.12 -0.84 -2.62 115.31 122.33 2fy4 h LEU 384 Ca 0.22 -0.30 0.09 0.00 0.13 0.00 0.00 57.88 58.02 2fy4 h LEU 384 Cb 0.32 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.19 2fy4 h LEU 384 CO -0.00 0.89 0.50 -0.61 -0.13 0.00 0.00 178.44 179.08 2fy4 h GLN 385 N 0.66 0.68 -0.66 1.25 5.75 -1.12 0.07 115.11 121.74 2fy4 h GLN 385 Ca 0.13 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 2fy4 h GLN 385 Cb 0.47 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 2fy4 h GLN 385 CO 0.02 0.45 0.22 0.00 -2.65 0.00 0.00 178.83 176.87 2fy4 h ARG 386 N 0.70 1.01 -0.53 1.69 3.08 -1.14 -1.28 114.38 117.91 2fy4 h ARG 386 Ca 0.34 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 2fy4 h ARG 386 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2fy4 h ARG 386 CO -0.12 0.88 0.11 0.82 -1.07 0.00 0.00 179.97 180.58 2fy4 h ILE 387 N 0.95 1.25 -0.05 2.04 2.04 -0.83 -0.81 117.51 122.09 2fy4 h ILE 387 Ca 0.21 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2fy4 h ILE 387 Cb 0.28 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2fy4 h ILE 387 CO -0.01 0.33 0.03 0.58 0.00 0.00 0.00 178.15 179.08 2fy4 h VAL 388 N 0.75 1.03 0.00 1.67 2.07 -0.80 -2.41 116.25 118.57 2fy4 h VAL 388 Ca 0.16 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2fy4 h VAL 388 Cb 0.37 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2fy4 h VAL 388 CO 0.01 0.03 0.00 0.07 0.02 0.00 0.00 177.57 177.69 2fy4 h LYS 389 N 0.05 0.00 0.00 1.57 5.09 -1.18 -3.24 116.57 118.85 2fy4 h LYS 389 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.73 2fy4 h LYS 389 Cb 0.02 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.34 2fy4 h LYS 389 CO -0.00 0.00 -0.53 -0.97 -2.09 0.00 0.00 179.45 175.85 2fy4 h ASN 390 N 0.00 0.00 -3.06 7.07 -0.00 -0.90 -3.45 115.58 115.25 2fy4 h ASN 390 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.73 2fy4 h ASN 390 Cb 0.77 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.04 2fy4 h ASN 390 CO 0.00 0.13 0.97 -0.22 -0.00 0.00 0.00 177.43 178.31 2fy4 s LEU 391 N -5.94 3.95 -0.50 0.34 2.96 -0.93 -0.13 118.68 118.44 2fy4 s LEU 391 Ca 0.03 1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 55.14 2fy4 s LEU 391 Cb 0.07 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.32 2fy4 s LEU 391 CO 0.73 -1.03 0.43 -0.62 -1.32 0.00 0.00 176.35 174.55 2fy4 s ASP 392 N 2.74 6.12 0.06 3.68 2.15 0.33 -4.85 116.67 126.90 2fy4 s ASP 392 Ca 0.57 -1.56 0.08 0.00 0.43 0.00 0.00 52.55 52.07 2fy4 s ASP 392 Cb -0.18 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2fy4 s ASP 392 CO 0.22 -0.73 -0.21 0.12 -0.17 0.00 0.00 175.17 174.40 2fy4 s PHE 393 N 1.60 1.80 -0.15 -5.34 5.36 -1.26 -1.15 117.98 118.84 2fy4 s PHE 393 Ca 0.04 -0.39 -0.17 0.00 -0.96 0.00 0.00 56.93 55.45 2fy4 s PHE 393 Cb -0.27 -1.05 0.04 0.00 -0.34 0.00 0.00 43.02 41.41 2fy4 s PHE 393 CO 0.05 0.12 0.46 -1.50 -1.46 0.00 0.00 175.22 172.89 2fy4 s ILE 394 N -0.90 0.01 -0.33 3.12 2.07 -0.48 -5.01 121.20 119.68 2fy4 s ILE 394 Ca 0.07 -0.05 -0.10 0.00 -1.41 0.00 0.00 60.65 59.16 2fy4 s ILE 394 Cb -0.09 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.83 2fy4 s ILE 394 CO 0.02 -0.03 0.17 -0.69 -1.91 0.00 0.00 174.94 172.51 2fy4 s VAL 395 N -0.00 4.66 -0.16 4.00 1.01 -1.26 -1.21 120.40 127.44 2fy4 s VAL 395 Ca -0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2fy4 s VAL 395 Cb -0.03 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2fy4 s VAL 395 CO 0.02 -0.01 -0.14 -0.47 0.00 0.00 0.00 175.10 174.49 2fy4 s TYR 396 N 1.61 2.80 -0.43 5.22 5.04 0.20 -4.88 117.35 126.92 2fy4 s TYR 396 Ca 0.04 -1.09 -0.10 0.00 -2.44 0.00 0.00 57.07 53.48 2fy4 s TYR 396 Cb -0.18 -1.92 0.08 0.00 0.35 0.00 0.00 41.96 40.30 2fy4 s TYR 396 CO 0.07 -0.51 0.28 0.21 -1.34 0.00 0.00 175.55 174.25 2fy4 s LYS 397 N 0.93 2.65 -0.23 4.97 2.20 -1.26 0.10 119.74 129.10 2fy4 s LYS 397 Ca -0.03 -1.45 -0.29 0.00 -0.36 0.00 0.00 55.97 53.84 2fy4 s LYS 397 Cb -0.15 -3.82 -0.00 0.00 -1.51 0.00 0.00 37.83 32.34 2fy4 s LYS 397 CO -0.02 -0.96 1.26 0.12 -0.36 0.00 0.00 175.35 175.39 2fy4 s PHE 398 N 1.45 2.80 -0.52 4.03 5.36 -0.49 -4.91 117.98 125.70 2fy4 s PHE 398 Ca 0.03 0.97 0.05 0.00 -0.96 0.00 0.00 56.93 57.03 2fy4 s PHE 398 Cb -0.23 -3.68 0.11 0.00 -0.34 0.00 0.00 43.02 38.88 2fy4 s PHE 398 CO 0.03 -1.62 0.98 -0.40 -1.46 0.00 0.00 175.22 172.74 2fy4 n ASP 399 N 7.07 2.12 0.07 6.13 5.68 -1.26 -1.29 116.55 135.07 2fy4 n ASP 399 Ca 0.14 -1.75 -0.03 0.00 -0.50 0.00 0.00 54.79 52.65 2fy4 n ASP 399 Cb 0.46 -0.08 0.19 0.00 -1.14 0.00 0.00 41.12 40.55 2fy4 n ASP 399 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2fy4 h ASN 400 N 1.00 0.34 -5.66 -1.12 -1.24 -1.91 -3.46 115.58 103.54 2fy4 h ASN 400 Ca 0.00 -0.15 0.28 0.00 0.71 0.00 0.00 56.30 57.15 2fy4 h ASN 400 Cb 0.49 -0.09 -0.10 0.00 0.73 0.00 0.00 38.32 39.35 2fy4 h ASN 400 CO 0.00 0.72 0.74 -0.72 -1.29 0.00 0.00 177.43 176.88 2fy4 s TYR 401 N -4.15 -0.04 0.00 0.67 -0.85 -1.23 -5.02 117.35 106.73 2fy4 s TYR 401 Ca -0.05 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2fy4 s TYR 401 Cb 0.13 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.05 2fy4 s TYR 401 CO 0.79 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 174.77 2fy4 n GLY 402 N -0.56 5.16 0.26 5.49 0.00 -1.21 -3.84 105.19 110.48 2fy4 n GLY 402 Ca -0.06 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.06 2fy4 n GLY 402 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fy4 h LYS 403 N 0.00 0.40 -0.35 1.61 1.57 -0.75 -2.78 116.57 116.28 2fy4 h LYS 403 Ca 0.00 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2fy4 h LYS 403 Cb 0.00 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.13 2fy4 h LYS 403 CO 0.00 0.27 -0.38 1.15 -0.57 0.00 0.00 179.45 179.92 2fy4 h THR 404 N 0.42 0.18 -0.71 -0.16 2.02 -1.58 0.18 112.91 113.25 2fy4 h THR 404 Ca 0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 2fy4 h THR 404 Cb 0.50 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2fy4 h THR 404 CO -0.36 0.00 0.37 0.15 0.37 0.00 0.00 175.52 176.04 2fy4 h PHE 405 N -0.32 1.00 -0.78 3.16 3.57 -1.73 -2.64 116.94 119.19 2fy4 h PHE 405 Ca 0.14 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2fy4 h PHE 405 Cb 0.57 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2fy4 h PHE 405 CO -0.55 0.72 0.42 0.82 -2.23 0.00 0.00 178.31 177.49 2fy4 h ILE 406 N 0.99 1.24 0.00 1.41 2.04 -0.99 -1.54 117.51 120.66 2fy4 h ILE 406 Ca 0.25 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2fy4 h ILE 406 Cb 0.07 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2fy4 h ILE 406 CO -0.04 0.27 -0.21 0.11 0.00 0.00 0.00 178.15 178.28 2fy4 h LYS 407 N 1.09 0.00 0.00 2.37 1.57 -0.49 -0.74 116.57 120.37 2fy4 h LYS 407 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2fy4 h LYS 407 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2fy4 h LYS 407 CO -0.04 0.21 0.00 1.63 -0.57 0.00 0.00 179.45 180.68 2fy4 n LYS 408 N -4.28 0.10 -0.41 3.15 5.02 -0.59 -0.77 118.16 120.38 2fy4 n LYS 408 Ca -0.02 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 2fy4 n LYS 408 Cb 0.27 -1.71 0.32 0.00 -0.02 0.00 0.00 35.03 33.90 2fy4 n LYS 408 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2fy4 n GLN 409 N -1.90 2.84 -3.61 1.97 1.13 -0.30 -4.92 117.38 112.59 2fy4 n GLN 409 Ca 0.02 -2.61 -0.24 0.00 -1.94 0.00 0.00 57.00 52.24 2fy4 n GLN 409 Cb 0.18 -1.61 0.08 0.00 0.11 0.00 0.00 30.24 28.99 2fy4 n GLN 409 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2fy4 n LYS 410 N 1.50 -7.53 -4.43 -1.09 5.02 0.05 -4.99 118.16 106.69 2fy4 n LYS 410 Ca 0.24 0.81 -0.22 0.00 -2.02 0.00 0.00 58.31 57.12 2fy4 n LYS 410 Cb 0.65 -5.84 -0.13 0.00 -0.02 0.00 0.00 35.03 29.69 2fy4 n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fy4 s SER 412 N -1.25 6.80 0.12 0.00 0.15 -1.26 -3.99 113.70 114.27 2fy4 s SER 412 Ca 0.04 2.18 -0.28 0.00 0.70 0.00 0.00 55.95 58.58 2fy4 s SER 412 Cb -0.08 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.59 2fy4 s SER 412 CO 0.02 -0.76 1.61 -0.65 1.20 0.00 0.00 173.24 174.66 2fy4 h PRO 413 N 8.04 -0.50 -0.53 5.44 0.11 -1.91 -0.12 132.00 142.52 2fy4 h PRO 413 Ca -0.38 0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.87 2fy4 h PRO 413 Cb 1.18 0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 2fy4 h PRO 413 CO 0.91 -0.33 -0.19 0.22 -0.21 0.00 0.00 178.00 178.40 2fy4 h ASP 414 N -0.52 -0.67 -0.46 -2.05 3.58 -1.99 0.55 116.42 114.87 2fy4 h ASP 414 Ca 0.04 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.69 2fy4 h ASP 414 Cb 0.57 0.39 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 2fy4 h ASP 414 CO -0.22 -0.22 0.27 0.00 -2.88 0.00 0.00 179.24 176.18 2fy4 h ALA 415 N 1.37 0.58 -0.60 -0.78 0.00 -1.84 0.97 119.26 118.97 2fy4 h ALA 415 Ca 0.25 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2fy4 h ALA 415 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2fy4 h ALA 415 CO -0.58 -0.05 0.38 0.35 0.00 0.00 0.00 179.25 179.36 2fy4 h PHE 416 N 0.54 0.72 -0.44 0.00 3.04 0.10 -0.69 116.94 120.20 2fy4 h PHE 416 Ca 0.18 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.02 2fy4 h PHE 416 Cb 0.02 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2fy4 h PHE 416 CO -0.07 0.42 -0.26 0.82 -2.02 0.00 0.00 178.31 177.20 2fy4 h ILE 417 N 0.76 1.27 -0.85 1.41 2.04 0.38 -1.16 117.51 121.36 2fy4 h ILE 417 Ca 0.24 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2fy4 h ILE 417 Cb -0.02 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2fy4 h ILE 417 CO -0.08 0.48 0.53 1.56 0.00 0.00 0.00 178.15 180.65 2fy4 h GLN 418 N 0.80 1.15 -0.39 2.37 1.08 -0.32 -0.71 115.11 119.08 2fy4 h GLN 418 Ca 0.09 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 2fy4 h GLN 418 Cb 0.83 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2fy4 h GLN 418 CO 0.07 0.79 -0.20 0.28 -0.95 0.00 0.00 178.83 178.82 2fy4 h VAL 419 N 1.17 1.27 -0.81 -0.54 2.07 -0.97 -2.29 116.25 116.14 2fy4 h VAL 419 Ca 0.31 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2fy4 h VAL 419 Cb -0.08 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2fy4 h VAL 419 CO -0.06 0.43 0.41 0.00 0.02 0.00 0.00 177.57 178.37 2fy4 h ALA 420 N 1.11 1.05 -0.58 1.67 0.00 -0.29 -1.35 119.26 120.87 2fy4 h ALA 420 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2fy4 h ALA 420 Cb 0.69 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2fy4 h ALA 420 CO 0.05 0.59 0.13 -0.07 0.00 0.00 0.00 179.25 179.96 2fy4 h LEU 421 N 1.15 0.84 -0.34 0.00 3.38 -0.87 0.75 115.31 120.21 2fy4 h LEU 421 Ca 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2fy4 h LEU 421 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2fy4 h LEU 421 CO -0.04 0.83 0.10 1.56 0.09 0.00 0.00 178.44 180.98 2fy4 h GLN 422 N 0.86 0.53 -0.56 1.13 1.08 -0.85 0.30 115.11 117.61 2fy4 h GLN 422 Ca 0.19 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2fy4 h GLN 422 Cb 0.32 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2fy4 h GLN 422 CO 0.00 0.57 0.20 1.25 -0.95 0.00 0.00 178.83 179.90 2fy4 h LEU 423 N 0.40 0.79 -0.31 1.46 5.85 -0.88 -0.04 115.31 122.58 2fy4 h LEU 423 Ca 0.11 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2fy4 h LEU 423 Cb 0.26 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2fy4 h LEU 423 CO -0.00 0.77 0.19 0.00 -0.34 0.00 0.00 178.44 179.05 2fy4 h ALA 424 N 1.05 0.38 -0.20 1.25 0.00 -0.64 0.20 119.26 121.30 2fy4 h ALA 424 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2fy4 h ALA 424 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2fy4 h ALA 424 CO -0.01 -0.18 0.13 0.35 0.00 0.00 0.00 179.25 179.54 2fy4 h PHE 425 N 0.38 0.25 -0.48 0.00 3.57 -0.60 -2.68 116.94 117.38 2fy4 h PHE 425 Ca 0.12 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2fy4 h PHE 425 Cb -0.02 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2fy4 h PHE 425 CO -0.07 0.16 0.12 -0.92 -2.23 0.00 0.00 178.31 175.38 2fy4 h TYR 426 N 0.26 0.81 0.00 0.41 3.20 -0.70 0.03 116.97 120.98 2fy4 h TYR 426 Ca 0.07 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2fy4 h TYR 426 Cb -0.02 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2fy4 h TYR 426 CO -0.06 0.72 -0.19 0.07 -1.64 0.00 0.00 178.16 177.06 2fy4 h ARG 427 N 0.65 0.00 0.06 1.82 0.11 -0.92 0.51 114.38 116.61 2fy4 h ARG 427 Ca 0.15 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.00 2fy4 h ARG 427 Cb 0.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 2fy4 h ARG 427 CO 0.00 0.19 -1.21 1.25 0.10 0.00 0.00 179.97 180.29 2fy4 h LEU 428 N 0.00 0.20 -0.57 0.08 5.85 -1.27 -3.41 115.31 116.19 2fy4 h LEU 428 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2fy4 h LEU 428 Cb 0.41 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2fy4 h LEU 428 CO 0.02 1.51 -0.47 1.41 -0.34 0.00 0.00 178.44 180.57 2fy4 n HIS 429 N -4.16 0.00 -1.84 1.25 8.25 -0.02 -5.02 115.22 113.68 2fy4 n HIS 429 Ca -0.26 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2fy4 n HIS 429 Cb 0.78 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.87 2fy4 n HIS 429 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2fy4 n ARG 430 N -0.56 -0.73 -3.55 -0.41 5.12 0.18 -4.99 116.66 111.72 2fy4 n ARG 430 Ca 0.05 0.61 -0.08 0.00 -1.93 0.00 0.00 57.85 56.50 2fy4 n ARG 430 Cb 0.30 -4.60 -0.03 0.00 -1.16 0.00 0.00 32.46 26.98 2fy4 n ARG 430 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2fy4 s ARG 431 N -3.85 0.63 0.12 5.56 1.70 -1.26 -5.06 118.95 116.80 2fy4 s ARG 431 Ca 0.00 -0.12 0.01 0.00 -0.47 0.00 0.00 55.73 55.14 2fy4 s ARG 431 Cb 0.00 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 2fy4 s ARG 431 CO 0.00 -0.25 0.28 -0.51 -1.08 0.00 0.00 175.30 173.73 2fy4 s LEU 432 N -1.98 4.33 0.07 -1.89 1.43 -1.26 -4.06 118.68 115.32 2fy4 s LEU 432 Ca 0.04 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2fy4 s LEU 432 Cb -0.01 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2fy4 s LEU 432 CO -0.05 0.08 -0.08 0.68 0.23 0.00 0.00 176.35 177.22 2fy4 s VAL 433 N -1.67 0.65 0.01 -1.59 -7.23 -1.26 -5.00 120.40 104.32 2fy4 s VAL 433 Ca 0.36 -1.47 -0.37 0.00 -1.81 0.00 0.00 61.98 58.68 2fy4 s VAL 433 Cb -0.12 -1.11 -0.16 0.00 0.56 0.00 0.00 36.38 35.55 2fy4 s VAL 433 CO 0.28 -0.59 1.45 -2.65 -0.31 0.00 0.00 175.10 173.28 2fy4 n PRO 434 N 0.78 1.24 -4.69 4.82 -0.02 -1.26 -4.67 135.00 131.21 2fy4 n PRO 434 Ca -0.18 0.45 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 2fy4 n PRO 434 Cb 0.57 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 2fy4 n PRO 434 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2fy4 s THR 435 N 1.22 2.02 -0.05 3.45 2.01 -1.26 -3.08 115.64 119.94 2fy4 s THR 435 Ca 0.87 -1.44 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2fy4 s THR 435 Cb -0.95 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2fy4 s THR 435 CO 0.50 0.24 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.98 2fy4 s TYR 436 N -0.89 2.51 -0.04 4.92 5.04 -0.44 -3.89 117.35 124.56 2fy4 s TYR 436 Ca 0.11 -0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 54.23 2fy4 s TYR 436 Cb -0.10 -1.61 0.03 0.00 0.35 0.00 0.00 41.96 40.64 2fy4 s TYR 436 CO 0.03 -0.07 0.03 -2.00 -1.34 0.00 0.00 175.55 172.20 2fy4 s GLU 437 N -0.37 0.19 0.11 4.97 2.12 -1.05 0.35 118.70 125.02 2fy4 s GLU 437 Ca 0.03 0.22 -0.31 0.00 0.36 0.00 0.00 54.97 55.27 2fy4 s GLU 437 Cb -0.12 -0.59 -0.10 0.00 0.26 0.00 0.00 34.13 33.58 2fy4 s GLU 437 CO 0.02 -0.26 1.79 -1.12 -0.54 0.00 0.00 175.26 175.15 2fy4 s SER 438 N 1.73 6.46 -0.20 -1.70 0.01 -1.03 -1.57 113.70 117.41 2fy4 s SER 438 Ca -0.00 2.70 0.01 0.00 1.31 0.00 0.00 55.95 59.97 2fy4 s SER 438 Cb -0.13 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.58 2fy4 s SER 438 CO -0.03 -0.98 -0.14 0.00 0.41 0.00 0.00 173.24 172.50 2fy4 s ALA 439 N 2.74 2.15 0.14 1.44 0.00 -0.77 -4.75 121.76 122.71 2fy4 s ALA 439 Ca 0.80 -1.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.20 2fy4 s ALA 439 Cb -0.45 -1.27 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 2fy4 s ALA 439 CO 0.36 -0.69 1.36 0.45 0.00 0.00 0.00 175.76 177.24 2fy4 s SER 440 N 1.34 6.85 -0.29 0.00 0.15 -1.26 -0.95 113.70 119.53 2fy4 s SER 440 Ca 0.00 2.35 0.08 0.00 0.70 0.00 0.00 55.95 59.08 2fy4 s SER 440 Cb -0.15 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.02 2fy4 s SER 440 CO -0.09 -0.60 1.35 2.30 1.20 0.00 0.00 173.24 177.39 2fy4 n ILE 441 N 3.46 2.51 0.66 6.45 -5.35 -0.84 -4.63 119.36 121.62 2fy4 n ILE 441 Ca 0.09 -3.35 0.06 0.00 -0.27 0.00 0.00 62.75 59.28 2fy4 n ILE 441 Cb 0.43 -0.58 0.32 0.00 -1.74 0.00 0.00 39.64 38.07 2fy4 n ILE 441 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2fy4 n ARG 442 N -1.00 0.30 0.15 6.28 1.74 -1.26 -1.86 116.66 121.02 2fy4 n ARG 442 Ca 0.34 0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.60 2fy4 n ARG 442 Cb 0.88 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 31.34 2fy4 n ARG 442 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fy4 h ARG 443 N 0.00 0.00 -6.36 5.56 3.08 -1.85 0.58 114.38 115.39 2fy4 h ARG 443 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2fy4 h ARG 443 Cb 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.95 2fy4 h ARG 443 CO 0.00 0.00 -0.71 -0.06 -1.07 0.00 0.00 179.97 178.13 2fy4 s PHE 444 N -3.36 2.59 0.12 3.04 0.40 -0.77 -4.31 117.98 115.69 2fy4 s PHE 444 Ca 0.04 -0.24 -0.35 0.00 -0.60 0.00 0.00 56.93 55.77 2fy4 s PHE 444 Cb 0.09 -1.22 -0.16 0.00 0.51 0.00 0.00 43.02 42.25 2fy4 s PHE 444 CO 0.42 0.57 1.42 1.04 0.70 0.00 0.00 175.22 179.37 2fy4 n GLN 445 N -0.30 1.53 -1.24 0.44 6.02 -0.93 -0.80 117.38 122.10 2fy4 n GLN 445 Ca -0.09 0.55 -0.11 0.00 -0.01 0.00 0.00 57.00 57.35 2fy4 n GLN 445 Cb 0.57 -2.24 -0.05 0.00 1.02 0.00 0.00 30.24 29.55 2fy4 n GLN 445 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2fy4 n GLU 446 N 2.82 -1.64 -1.71 -1.09 1.02 -1.26 -4.65 120.64 114.13 2fy4 n GLU 446 Ca 0.18 0.80 -0.43 0.00 -0.02 0.00 0.00 57.16 57.69 2fy4 n GLU 446 Cb 0.23 -5.07 -0.03 0.00 -0.02 0.00 0.00 31.44 26.55 2fy4 n GLU 446 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fy4 n GLY 447 N 0.15 1.50 0.00 0.62 0.00 0.02 -4.95 105.19 102.53 2fy4 n GLY 447 Ca -0.11 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2fy4 n GLY 447 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy4 n ARG 448 N 4.10 0.00 -3.72 1.61 5.12 -1.26 -4.16 116.66 118.34 2fy4 n ARG 448 Ca 0.16 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.99 2fy4 n ARG 448 Cb 0.34 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.59 2fy4 n ARG 448 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2fy4 s VAL 449 N 0.74 0.10 0.21 1.55 -7.23 -1.26 -1.99 120.40 112.52 2fy4 s VAL 449 Ca 0.00 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2fy4 s VAL 449 Cb 0.00 -1.22 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 2fy4 s VAL 449 CO 0.00 -0.44 0.03 -0.67 -0.31 0.00 0.00 175.10 173.71 2fy4 n ASP 450 N -0.12 1.91 -4.46 4.85 -0.08 -0.13 -4.88 116.55 113.64 2fy4 n ASP 450 Ca -0.16 -2.00 -0.33 0.00 -1.51 0.00 0.00 54.79 50.79 2fy4 n ASP 450 Cb 0.63 0.31 -0.13 0.00 2.34 0.00 0.00 41.12 44.27 2fy4 n ASP 450 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2fy4 s ASN 451 N -2.21 4.19 -0.37 1.67 2.47 -1.26 -1.86 114.94 117.57 2fy4 s ASN 451 Ca 0.04 -0.20 -0.13 0.00 0.42 0.00 0.00 52.86 52.99 2fy4 s ASN 451 Cb 0.00 -1.23 0.01 0.00 -1.45 0.00 0.00 41.25 38.58 2fy4 s ASN 451 CO 0.03 0.27 0.24 -0.63 -3.72 0.00 0.00 177.10 173.30 2fy4 s ILE 452 N -0.30 5.02 -0.88 -5.21 1.01 -0.61 -4.71 121.20 115.53 2fy4 s ILE 452 Ca 0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 2fy4 s ILE 452 Cb -0.13 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.74 2fy4 s ILE 452 CO 0.03 -0.17 1.14 -0.13 0.00 0.00 0.00 174.94 175.80 2fy4 s ARG 453 N 1.65 3.48 0.40 2.79 0.52 -1.26 -2.54 118.95 123.99 2fy4 s ARG 453 Ca 0.04 -1.44 0.29 0.00 -0.52 0.00 0.00 55.73 54.10 2fy4 s ARG 453 Cb -0.18 -4.81 1.24 0.00 0.52 0.00 0.00 34.95 31.71 2fy4 s ARG 453 CO 0.09 -1.85 1.86 0.77 0.02 0.00 0.00 175.30 176.19 2fy4 h SER 454 N 9.15 0.00 -0.16 0.23 0.02 -1.94 -3.35 113.55 117.50 2fy4 h SER 454 Ca 0.06 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.32 2fy4 h SER 454 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2fy4 h SER 454 CO 1.17 0.00 3.57 0.00 -1.14 0.00 0.00 176.83 180.43 2fy4 n ALA 455 N -1.92 7.20 -1.66 3.77 0.00 -1.26 -4.83 120.51 121.81 2fy4 n ALA 455 Ca 0.01 -3.66 -0.30 0.00 0.00 0.00 0.00 53.44 49.50 2fy4 n ALA 455 Cb 0.24 -3.32 0.09 0.00 0.00 0.00 0.00 19.45 16.46 2fy4 n ALA 455 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2fy4 s THR 456 N 1.87 2.72 0.29 0.00 -4.23 -1.26 -4.93 115.64 110.10 2fy4 s THR 456 Ca 0.65 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 2fy4 s THR 456 Cb 0.17 -3.06 0.10 0.00 1.34 0.00 0.00 72.50 71.05 2fy4 s THR 456 CO -0.07 -0.31 1.77 -0.65 -0.54 0.00 0.00 174.62 174.82 2fy4 h PRO 457 N -1.11 0.55 -0.22 3.99 0.11 -1.91 -2.47 132.00 130.94 2fy4 h PRO 457 Ca -0.47 -0.17 -0.08 0.00 0.11 0.00 0.00 66.00 65.38 2fy4 h PRO 457 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2fy4 h PRO 457 CO 0.62 0.68 -0.21 0.93 -0.21 0.00 0.00 178.00 179.80 2fy4 h GLU 458 N 0.50 0.41 -0.41 1.05 3.07 -1.93 -1.92 114.58 115.34 2fy4 h GLU 458 Ca 0.09 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.36 58.68 2fy4 h GLU 458 Cb 0.54 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2fy4 h GLU 458 CO 0.03 0.60 -0.27 0.00 -1.40 0.00 0.00 179.01 177.97 2fy4 h ALA 459 N 1.41 0.73 -0.20 3.43 0.00 -1.78 -2.34 119.26 120.51 2fy4 h ALA 459 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2fy4 h ALA 459 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2fy4 h ALA 459 CO 0.04 0.66 0.09 1.25 0.00 0.00 0.00 179.25 181.30 2fy4 h LEU 460 N 0.75 0.26 -1.34 0.00 5.85 -1.02 0.23 115.31 120.04 2fy4 h LEU 460 Ca 0.09 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2fy4 h LEU 460 Cb 0.83 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2fy4 h LEU 460 CO 0.07 0.32 0.45 0.00 -0.34 0.00 0.00 178.44 178.94 2fy4 h ALA 461 N 0.96 1.53 -0.01 1.25 0.00 -1.29 -1.05 119.26 120.65 2fy4 h ALA 461 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2fy4 h ALA 461 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2fy4 h ALA 461 CO -0.01 0.43 -0.03 0.35 0.00 0.00 0.00 179.25 179.99 2fy4 h PHE 462 N 0.90 0.05 -0.03 0.00 3.57 -1.04 -2.65 116.94 117.75 2fy4 h PHE 462 Ca 0.25 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2fy4 h PHE 462 Cb -0.08 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2fy4 h PHE 462 CO -0.00 0.63 -0.20 -0.39 -2.23 0.00 0.00 178.31 176.11 2fy4 h VAL 463 N -0.53 1.16 -0.26 1.41 -1.51 -0.76 -1.79 116.25 113.98 2fy4 h VAL 463 Ca -0.00 -0.75 -0.19 0.00 -1.23 0.00 0.00 66.70 64.53 2fy4 h VAL 463 Cb 0.63 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2fy4 h VAL 463 CO 0.01 0.22 -0.58 0.03 -1.23 0.00 0.00 177.57 176.02 2fy4 h ARG 464 N 0.04 0.82 -0.68 5.19 3.08 -1.24 -1.81 114.38 119.78 2fy4 h ARG 464 Ca 0.01 -0.53 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 2fy4 h ARG 464 Cb 0.38 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2fy4 h ARG 464 CO 0.03 1.16 0.12 0.00 -1.07 0.00 0.00 179.97 180.21 2fy4 h ALA 465 N 0.72 0.90 -0.24 0.04 0.00 -1.06 0.07 119.26 119.69 2fy4 h ALA 465 Ca 0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2fy4 h ALA 465 Cb 1.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2fy4 h ALA 465 CO 0.12 0.66 -0.52 0.28 0.00 0.00 0.00 179.25 179.80 2fy4 h VAL 466 N 1.04 1.30 0.00 0.00 2.07 -1.30 -3.36 116.25 116.01 2fy4 h VAL 466 Ca 0.21 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2fy4 h VAL 466 Cb 0.43 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2fy4 h VAL 466 CO 0.01 0.55 -1.75 0.35 0.02 0.00 0.00 177.57 176.75 2fy4 n THR 467 N -3.99 0.40 -2.76 2.57 -2.24 -0.68 -4.75 114.28 102.83 2fy4 n THR 467 Ca -0.03 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 2fy4 n THR 467 Cb 0.59 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 2fy4 n THR 467 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fy4 s ASP 468 N -4.94 6.68 0.22 3.42 2.15 0.00 -4.86 116.67 119.35 2fy4 s ASP 468 Ca -0.06 -2.03 -0.08 0.00 0.43 0.00 0.00 52.55 50.81 2fy4 s ASP 468 Cb 0.12 -2.48 0.35 0.00 -0.30 0.00 0.00 42.92 40.60 2fy4 s ASP 468 CO 0.86 -1.19 1.72 0.45 -0.17 0.00 0.00 175.17 176.85 2fy4 h HIS 469 N 8.76 0.34 -0.11 -5.34 3.86 -1.87 -1.10 115.15 119.69 2fy4 h HIS 469 Ca 0.23 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.51 2fy4 h HIS 469 Cb 0.98 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 2fy4 h HIS 469 CO 1.23 0.03 0.16 0.87 0.86 0.00 0.00 177.93 181.08 2fy4 h LYS 470 N 0.35 0.00 -0.00 2.45 1.57 -1.99 0.71 116.57 119.66 2fy4 h LYS 470 Ca 0.35 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.95 2fy4 h LYS 470 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2fy4 h LYS 470 CO -0.38 0.00 -0.80 0.00 -0.57 0.00 0.00 179.45 177.69 2fy4 h ALA 471 N 1.79 0.66 -6.22 3.86 0.00 -1.59 -3.47 119.26 114.29 2fy4 h ALA 471 Ca 0.05 -0.70 -0.45 0.00 0.00 0.00 0.00 54.91 53.81 2fy4 h ALA 471 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2fy4 h ALA 471 CO -0.00 0.93 -0.78 0.00 0.00 0.00 0.00 179.25 179.40 2fy4 n ALA 472 N -2.42 -1.56 -1.87 0.00 0.00 0.24 -4.88 120.51 110.02 2fy4 n ALA 472 Ca -0.02 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2fy4 n ALA 472 Cb 0.76 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.62 2fy4 n ALA 472 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fy4 s VAL 473 N -3.45 2.73 0.37 0.00 1.01 -1.26 -4.92 120.40 114.88 2fy4 s VAL 473 Ca 0.41 0.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 2fy4 s VAL 473 Cb -0.21 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2fy4 s VAL 473 CO 0.82 0.01 1.32 -2.65 0.00 0.00 0.00 175.10 174.61 2fy4 n PRO 474 N 4.98 2.17 -0.12 2.72 -0.02 -1.26 -4.77 135.00 138.70 2fy4 n PRO 474 Ca 0.16 0.76 0.16 0.00 -2.02 0.00 0.00 63.50 62.56 2fy4 n PRO 474 Cb 0.39 -2.41 0.53 0.00 -0.02 0.00 0.00 33.50 31.99 2fy4 n PRO 474 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fy4 h ALA 475 N 2.48 2.16 -0.45 3.55 0.00 -1.99 0.96 119.26 125.96 2fy4 h ALA 475 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2fy4 h ALA 475 Cb 1.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2fy4 h ALA 475 CO 0.62 -0.34 0.04 0.66 0.00 0.00 0.00 179.25 180.23 2fy4 h SER 476 N 0.35 0.68 -0.23 0.00 4.64 -1.97 -1.61 113.55 115.41 2fy4 h SER 476 Ca 0.34 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 2fy4 h SER 476 Cb 0.82 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2fy4 h SER 476 CO -0.09 0.72 -0.52 -0.08 -0.87 0.00 0.00 176.83 175.99 2fy4 h GLU 477 N 0.68 0.77 -0.97 4.77 4.57 -1.20 -2.75 114.58 120.45 2fy4 h GLU 477 Ca 0.14 -0.51 0.06 0.00 -1.18 0.00 0.00 59.36 57.87 2fy4 h GLU 477 Cb 0.36 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 2fy4 h GLU 477 CO 0.01 1.14 0.63 0.87 -1.18 0.00 0.00 179.01 180.47 2fy4 h LYS 478 N 0.50 1.10 -0.46 1.92 1.57 -0.93 0.08 116.57 120.35 2fy4 h LYS 478 Ca 0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2fy4 h LYS 478 Cb 1.13 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2fy4 h LYS 478 CO 0.11 0.73 0.21 1.25 -0.57 0.00 0.00 179.45 181.18 2fy4 h LEU 479 N 1.13 0.61 -0.25 2.94 5.85 -1.18 0.12 115.31 124.53 2fy4 h LEU 479 Ca 0.41 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2fy4 h LEU 479 Cb 0.16 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2fy4 h LEU 479 CO -0.16 0.58 0.16 -0.07 -0.34 0.00 0.00 178.44 178.61 2fy4 h LEU 480 N 0.60 0.29 -1.21 2.25 3.38 -0.98 0.04 115.31 119.69 2fy4 h LEU 480 Ca 0.16 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2fy4 h LEU 480 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2fy4 h LEU 480 CO -0.02 0.23 0.16 -0.07 0.09 0.00 0.00 178.44 178.83 2fy4 h LEU 481 N 0.32 0.65 -0.03 1.67 3.38 -0.77 -0.92 115.31 119.61 2fy4 h LEU 481 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fy4 h LEU 481 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2fy4 h LEU 481 CO -0.02 0.62 0.01 0.25 0.09 0.00 0.00 178.44 179.39 2fy4 h LEU 482 N 0.70 0.05 -1.15 1.67 6.46 -0.15 0.51 115.31 123.39 2fy4 h LEU 482 Ca 0.16 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2fy4 h LEU 482 Cb 0.20 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2fy4 h LEU 482 CO -0.01 0.20 0.05 0.11 -0.62 0.00 0.00 178.44 178.17 2fy4 h LYS 483 N -0.11 0.64 -0.22 1.25 1.79 -0.63 -1.19 116.57 118.11 2fy4 h LYS 483 Ca 0.01 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.21 2fy4 h LYS 483 Cb 0.16 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2fy4 h LYS 483 CO -0.00 0.63 -0.45 0.22 -1.08 0.00 0.00 179.45 178.77 2fy4 h ASP 484 N 0.62 0.59 -0.32 0.86 3.58 -0.95 0.07 116.42 120.87 2fy4 h ASP 484 Ca 0.14 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 2fy4 h ASP 484 Cb 0.31 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2fy4 h ASP 484 CO 0.01 0.95 0.13 0.00 -2.88 0.00 0.00 179.24 177.45 2fy4 h ALA 485 N 1.07 0.42 -0.34 -0.78 0.00 -0.35 -0.47 119.26 118.81 2fy4 h ALA 485 Ca 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2fy4 h ALA 485 Cb 0.96 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2fy4 h ALA 485 CO 0.09 0.02 -0.06 0.82 0.00 0.00 0.00 179.25 180.11 2fy4 h ILE 486 N 0.37 1.22 -0.53 0.00 2.04 -1.03 -0.95 117.51 118.64 2fy4 h ILE 486 Ca 0.11 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2fy4 h ILE 486 Cb 0.18 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2fy4 h ILE 486 CO -0.01 0.31 0.08 -0.09 0.00 0.00 0.00 178.15 178.44 2fy4 h ARG 487 N 0.52 0.87 -0.27 2.37 2.43 -0.52 -1.53 114.38 118.24 2fy4 h ARG 487 Ca 0.10 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 2fy4 h ARG 487 Cb 0.42 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2fy4 h ARG 487 CO 0.02 0.86 -0.31 0.00 -1.51 0.00 0.00 179.97 179.03 2fy4 h ALA 488 N 0.98 0.96 -0.14 2.80 0.00 -0.71 -1.15 119.26 122.00 2fy4 h ALA 488 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2fy4 h ALA 488 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2fy4 h ALA 488 CO 0.01 0.61 0.07 0.37 0.00 0.00 0.00 179.25 180.30 2fy4 h GLN 489 N 0.48 0.20 -0.68 0.00 5.75 -0.97 -1.82 115.11 118.07 2fy4 h GLN 489 Ca 0.06 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2fy4 h GLN 489 Cb 0.78 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2fy4 h GLN 489 CO 0.06 0.25 0.32 1.15 -2.65 0.00 0.00 178.83 177.96 2fy4 h THR 490 N 0.09 1.23 -0.67 2.39 2.02 -1.14 -0.84 112.91 116.00 2fy4 h THR 490 Ca 0.05 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2fy4 h THR 490 Cb 0.12 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2fy4 h THR 490 CO -0.01 0.27 0.42 0.00 0.37 0.00 0.00 175.52 176.57 2fy4 h ALA 491 N 1.15 0.85 -0.23 6.16 0.00 -1.02 0.16 119.26 126.33 2fy4 h ALA 491 Ca 0.23 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2fy4 h ALA 491 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2fy4 h ALA 491 CO -0.03 0.30 -0.36 -0.92 0.00 0.00 0.00 179.25 178.24 2fy4 h TYR 492 N 0.90 0.58 0.10 0.00 3.20 -1.07 -1.21 116.97 119.47 2fy4 h TYR 492 Ca 0.24 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2fy4 h TYR 492 Cb -0.06 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2fy4 h TYR 492 CO -0.02 0.80 -0.05 1.15 -1.64 0.00 0.00 178.16 178.40 2fy4 h THR 493 N 0.42 0.97 -0.86 1.81 2.02 -0.48 0.11 112.91 116.89 2fy4 h THR 493 Ca 0.04 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2fy4 h THR 493 Cb 0.83 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 2fy4 h THR 493 CO 0.07 0.06 0.57 0.58 0.37 0.00 0.00 175.52 177.16 2fy4 h VAL 494 N -0.23 1.18 -0.18 3.16 2.07 -0.83 -1.18 116.25 120.24 2fy4 h VAL 494 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2fy4 h VAL 494 Cb 0.19 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2fy4 h VAL 494 CO 0.02 0.20 0.07 -0.03 0.02 0.00 0.00 177.57 177.86 2fy4 h MET 495 N 1.11 0.27 -0.01 1.57 -1.53 -0.72 -2.97 114.93 112.65 2fy4 h MET 495 Ca 0.33 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.54 2fy4 h MET 495 Cb -0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 30.96 2fy4 h MET 495 CO -0.09 0.34 0.00 0.00 0.14 0.00 0.00 176.91 177.30 2fy4 h ALA 496 N 0.92 0.02 0.00 0.39 0.00 -0.21 0.23 119.26 120.60 2fy4 h ALA 496 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fy4 h ALA 496 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2fy4 h ALA 496 CO -0.01 -0.37 0.00 0.44 0.00 0.00 0.00 179.25 179.31 2fy4 n ILE 497 N -4.97 1.20 -0.63 0.00 -5.35 -0.50 -1.17 119.36 107.94 2fy4 n ILE 497 Ca -0.07 0.32 0.08 0.00 -0.27 0.00 0.00 62.75 62.81 2fy4 n ILE 497 Cb 0.13 -1.16 0.28 0.00 -1.74 0.00 0.00 39.64 37.15 2fy4 n ILE 497 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2fy4 n THR 498 N -1.62 1.79 -1.57 7.28 -2.24 -1.12 -4.77 114.28 112.03 2fy4 n THR 498 Ca 0.02 -1.35 -0.12 0.00 -2.27 0.00 0.00 64.05 60.34 2fy4 n THR 498 Cb 0.13 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 2fy4 n THR 498 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fy4 n GLY 499 N 0.49 0.91 0.92 3.38 0.00 -0.32 -4.82 105.19 105.75 2fy4 n GLY 499 Ca 0.21 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.85 2fy4 n GLY 499 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fy4 n MET 500 N -2.52 2.40 0.00 1.61 2.81 0.06 -4.43 117.12 117.04 2fy4 n MET 500 Ca -0.12 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.64 2fy4 n MET 500 Cb 0.44 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 2fy4 n MET 500 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fy4 n ALA 501 N 1.07 0.00 -0.01 3.04 0.00 -1.14 -4.83 120.51 118.64 2fy4 n ALA 501 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2fy4 n ALA 501 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 2fy4 n ALA 501 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2fy4 n ILE 502 N -1.01 0.08 -0.12 0.00 -5.35 -1.26 -4.72 119.36 106.97 2fy4 n ILE 502 Ca 0.00 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.34 2fy4 n ILE 502 Cb 0.00 -0.71 -0.05 0.00 -1.74 0.00 0.00 39.64 37.14 2fy4 n ILE 502 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2fy4 h ASP 503 N 0.00 -1.44 -0.96 7.28 5.19 -1.98 -0.23 116.42 124.29 2fy4 h ASP 503 Ca -0.03 0.22 0.02 0.00 -0.62 0.00 0.00 57.03 56.62 2fy4 h ASP 503 Cb 1.05 0.62 -0.05 0.00 0.18 0.00 0.00 39.33 41.14 2fy4 h ASP 503 CO -0.00 -0.37 0.63 0.78 -3.12 0.00 0.00 179.24 177.15 2fy4 h ASN 504 N -0.34 1.07 0.30 6.45 2.35 -1.93 -0.91 115.58 122.57 2fy4 h ASN 504 Ca 0.13 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2fy4 h ASN 504 Cb 0.59 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2fy4 h ASN 504 CO -0.56 0.76 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.06 2fy4 h HIS 505 N 1.25 -0.45 -0.48 1.19 2.76 -1.51 -1.44 115.15 116.48 2fy4 h HIS 505 Ca 0.37 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 2fy4 h HIS 505 Cb -0.07 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2fy4 h HIS 505 CO -0.00 -0.27 0.21 -0.07 -1.30 0.00 0.00 177.93 176.50 2fy4 h LEU 506 N -0.45 0.61 0.08 0.26 3.38 -0.83 -1.93 115.31 116.43 2fy4 h LEU 506 Ca -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2fy4 h LEU 506 Cb 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2fy4 h LEU 506 CO 0.04 0.54 -0.04 0.25 0.09 0.00 0.00 178.44 179.32 2fy4 h LEU 507 N 0.68 -0.09 -0.20 1.67 5.85 -0.83 -0.19 115.31 122.19 2fy4 h LEU 507 Ca 0.17 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2fy4 h LEU 507 Cb 0.10 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2fy4 h LEU 507 CO -0.02 -0.01 0.04 0.00 -0.34 0.00 0.00 178.44 178.11 2fy4 h ALA 508 N 0.77 0.20 -0.71 1.25 0.00 -0.88 -0.74 119.26 119.16 2fy4 h ALA 508 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2fy4 h ALA 508 Cb 0.13 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2fy4 h ALA 508 CO 0.02 -0.39 0.42 -0.07 0.00 0.00 0.00 179.25 179.22 2fy4 h LEU 509 N 0.12 0.64 -0.23 0.00 3.38 -1.23 -0.08 115.31 117.92 2fy4 h LEU 509 Ca 0.09 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2fy4 h LEU 509 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2fy4 h LEU 509 CO -0.12 0.42 0.11 -0.09 0.09 0.00 0.00 178.44 178.84 2fy4 h ARG 510 N 0.77 0.23 0.00 1.13 2.43 -0.26 -1.24 114.38 117.45 2fy4 h ARG 510 Ca 0.31 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.36 2fy4 h ARG 510 Cb 0.16 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2fy4 h ARG 510 CO -0.17 0.15 -0.50 0.93 -1.51 0.00 0.00 179.97 178.88 2fy4 h GLU 511 N 0.24 0.00 -0.35 0.20 4.39 -0.77 -1.53 114.58 116.76 2fy4 h GLU 511 Ca 0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 2fy4 h GLU 511 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2fy4 h GLU 511 CO -0.06 0.50 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.97 2fy4 h LEU 512 N 0.00 0.82 -0.30 1.33 3.38 -0.77 -2.07 115.31 117.70 2fy4 h LEU 512 Ca -0.01 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2fy4 h LEU 512 Cb 1.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2fy4 h LEU 512 CO 0.07 1.08 0.11 0.00 0.09 0.00 0.00 178.44 179.79 2fy4 h ALA 513 N 0.76 0.38 -0.97 1.53 0.00 -1.09 -2.22 119.26 117.65 2fy4 h ALA 513 Ca 0.07 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2fy4 h ALA 513 Cb 0.81 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 2fy4 h ALA 513 CO 0.07 -0.01 0.61 -0.09 0.00 0.00 0.00 179.25 179.83 2fy4 h ARG 514 N 0.32 0.61 -0.35 0.00 2.43 -1.14 0.44 114.38 116.70 2fy4 h ARG 514 Ca 0.10 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2fy4 h ARG 514 Cb 0.20 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2fy4 h ARG 514 CO -0.01 0.41 -0.06 0.00 -1.51 0.00 0.00 179.97 178.80 2fy4 h ALA 515 N 1.62 1.25 -0.26 2.80 0.00 -0.77 -2.87 119.26 121.04 2fy4 h ALA 515 Ca 0.53 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2fy4 h ALA 515 Cb 0.99 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2fy4 h ALA 515 CO -0.28 0.50 -0.25 0.52 0.00 0.00 0.00 179.25 179.73 2fy4 h MET 516 N 0.54 0.63 -2.00 0.00 2.86 0.12 -3.45 114.93 113.61 2fy4 h MET 516 Ca 0.11 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2fy4 h MET 516 Cb 0.43 0.01 -0.21 0.00 0.06 0.00 0.00 31.60 31.89 2fy4 h MET 516 CO 0.02 0.93 -0.02 0.00 1.06 0.00 0.00 176.91 178.90 2fy4 h ALA 518 N 7.24 1.33 -1.76 0.00 0.00 -1.83 -3.36 119.26 120.88 2fy4 h ALA 518 Ca -0.27 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.00 2fy4 h ALA 518 Cb 1.20 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 2fy4 h ALA 518 CO 0.15 -0.33 0.45 0.00 0.00 0.00 0.00 179.25 179.51 2fy4 s ALA 519 N -4.08 3.18 0.78 0.00 0.00 -1.26 -4.97 121.76 115.41 2fy4 s ALA 519 Ca -0.03 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.05 2fy4 s ALA 519 Cb 0.09 -3.74 0.07 0.00 0.00 0.00 0.00 23.12 19.53 2fy4 s ALA 519 CO 0.27 -2.56 1.21 -0.51 0.00 0.00 0.00 175.76 174.17 2fy4 s LEU 520 N 3.74 3.20 0.78 0.00 1.43 -1.26 -4.95 118.68 121.62 2fy4 s LEU 520 Ca 0.22 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.59 2fy4 s LEU 520 Cb -0.17 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 41.52 2fy4 s LEU 520 CO 0.12 -2.55 1.10 -2.84 0.23 0.00 0.00 176.35 172.41 2fy4 s PRO 521 N -4.06 2.16 0.24 1.29 0.02 -1.26 -4.81 135.00 128.58 2fy4 s PRO 521 Ca 0.74 1.21 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 2fy4 s PRO 521 Cb -0.29 -1.88 0.43 0.00 0.02 0.00 0.00 34.50 32.78 2fy4 s PRO 521 CO 0.49 -1.72 1.64 0.93 -0.33 0.00 0.00 177.00 178.01 2fy4 h GLU 522 N -1.16 0.12 -0.74 5.54 5.08 -1.96 -1.07 114.58 120.39 2fy4 h GLU 522 Ca -0.44 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2fy4 h GLU 522 Cb 1.23 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 2fy4 h GLU 522 CO 0.50 0.08 -0.11 -0.12 -1.00 0.00 0.00 179.01 178.36 2fy4 n MET 523 N -5.32 -0.06 0.00 2.33 1.56 -1.26 0.44 117.12 114.81 2fy4 n MET 523 Ca 0.13 1.13 0.11 0.00 -0.27 0.00 0.00 57.70 58.81 2fy4 n MET 523 Cb 0.46 -1.73 0.06 0.00 2.15 0.00 0.00 33.22 34.16 2fy4 n MET 523 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2fy4 n PHE 524 N -5.13 0.00 0.05 1.12 3.01 -0.44 -3.96 117.46 112.11 2fy4 n PHE 524 Ca 0.14 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.69 2fy4 n PHE 524 Cb 0.44 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.81 2fy4 n PHE 524 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2fy4 n MET 525 N -0.49 0.63 -1.56 -1.08 2.81 0.17 -4.67 117.12 112.93 2fy4 n MET 525 Ca 0.09 0.04 -0.52 0.00 -1.81 0.00 0.00 57.70 55.50 2fy4 n MET 525 Cb 0.41 -1.72 -0.05 0.00 -0.71 0.00 0.00 33.22 31.15 2fy4 n MET 525 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2fy4 n ASP 526 N -2.60 1.15 0.26 7.83 4.64 0.16 -4.83 116.55 123.17 2fy4 n ASP 526 Ca -0.04 1.13 0.13 0.00 -1.38 0.00 0.00 54.79 54.63 2fy4 n ASP 526 Cb 0.63 -1.15 0.79 0.00 -1.04 0.00 0.00 41.12 40.34 2fy4 n ASP 526 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2fy4 h GLU 527 N 3.70 0.00 -0.69 -0.67 4.57 -1.92 -1.48 114.58 118.10 2fy4 h GLU 527 Ca -0.46 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 2fy4 h GLU 527 Cb 1.36 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.92 2fy4 h GLU 527 CO 0.72 0.00 0.15 1.15 -1.18 0.00 0.00 179.01 179.85 2fy4 h THR 528 N 0.00 1.26 -0.24 0.32 2.02 -1.94 0.21 112.91 114.54 2fy4 h THR 528 Ca 0.02 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 66.08 2fy4 h THR 528 Cb 0.09 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2fy4 h THR 528 CO -0.00 0.38 -0.34 0.22 0.37 0.00 0.00 175.52 176.15 2fy4 h TYR 529 N 1.04 0.81 -0.56 3.16 5.03 -1.56 -1.45 116.97 123.45 2fy4 h TYR 529 Ca 0.21 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 2fy4 h TYR 529 Cb 0.39 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 2fy4 h TYR 529 CO 0.03 1.02 0.30 -0.07 -1.32 0.00 0.00 178.16 178.12 2fy4 h LEU 530 N 0.38 0.70 -0.84 2.82 3.38 -1.31 -2.67 115.31 117.77 2fy4 h LEU 530 Ca 0.03 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2fy4 h LEU 530 Cb 0.93 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2fy4 h LEU 530 CO 0.08 0.60 -0.03 -0.03 0.09 0.00 0.00 178.44 179.15 2fy4 h MET 531 N 0.75 0.84 0.00 1.13 4.05 -0.91 -2.62 114.93 118.16 2fy4 h MET 531 Ca 0.20 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2fy4 h MET 531 Cb 0.06 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2fy4 h MET 531 CO -0.03 0.86 0.00 0.66 0.23 0.00 0.00 176.91 178.63 2fy4 h SER 532 N 0.77 0.00 -0.28 1.39 4.64 -0.90 -2.50 113.55 116.67 2fy4 h SER 532 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2fy4 h SER 532 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2fy4 h SER 532 CO 0.03 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 2fy4 n ASN 533 N -2.93 2.99 -4.38 4.97 3.02 -0.99 -4.75 115.26 113.20 2fy4 n ASN 533 Ca -0.02 -1.87 -0.45 0.00 -0.03 0.00 0.00 54.58 52.20 2fy4 n ASN 533 Cb 0.10 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2fy4 n ASN 533 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2fy4 s ARG 534 N -1.28 3.35 -1.14 3.52 0.52 -0.94 -4.99 118.95 117.99 2fy4 s ARG 534 Ca 0.29 -1.79 -0.20 0.00 -0.52 0.00 0.00 55.73 53.51 2fy4 s ARG 534 Cb 0.17 -4.49 0.07 0.00 0.52 0.00 0.00 34.95 31.22 2fy4 s ARG 534 CO 0.24 -1.52 1.55 -0.06 0.02 0.00 0.00 175.30 175.54 2fy4 s PHE 535 N 1.90 2.70 0.60 -0.53 0.08 -1.26 -4.62 117.98 116.85 2fy4 s PHE 535 Ca 0.19 -1.24 0.31 0.00 0.12 0.00 0.00 56.93 56.31 2fy4 s PHE 535 Cb -0.15 -4.69 1.87 0.00 -0.57 0.00 0.00 43.02 39.48 2fy4 s PHE 535 CO -0.02 -1.85 2.26 0.28 -0.10 0.00 0.00 175.22 175.79 2fy4 h VAL 536 N 6.17 0.47 -3.51 -0.44 2.07 -1.88 -3.32 116.25 115.81 2fy4 h VAL 536 Ca 0.31 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 67.21 2fy4 h VAL 536 Cb 0.95 0.99 -0.39 0.00 -1.52 0.00 0.00 31.29 31.31 2fy4 h VAL 536 CO 1.42 0.00 -0.76 -0.22 0.02 0.00 0.00 177.57 178.03 2fy4 s LEU 537 N -7.54 3.06 -0.18 2.57 0.20 -1.25 0.41 118.68 115.96 2fy4 s LEU 537 Ca -0.05 -1.57 -0.04 0.00 0.69 0.00 0.00 54.13 53.16 2fy4 s LEU 537 Cb 0.15 -1.21 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 2fy4 s LEU 537 CO 0.53 -0.33 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.70 2fy4 s SER 538 N 1.33 4.78 0.27 3.68 0.15 -0.52 -1.33 113.70 122.06 2fy4 s SER 538 Ca 0.03 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.53 2fy4 s SER 538 Cb -0.18 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2fy4 s SER 538 CO -0.12 0.11 0.17 0.42 1.20 0.00 0.00 173.24 175.02 2fy4 s THR 539 N 0.72 0.16 -0.25 6.45 -4.23 0.16 -1.17 115.64 117.47 2fy4 s THR 539 Ca -0.01 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.20 2fy4 s THR 539 Cb -0.14 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.36 2fy4 s THR 539 CO 0.02 0.00 1.26 -0.94 -0.54 0.00 0.00 174.62 174.42 2fy4 s SER 540 N -3.30 -0.13 -0.23 3.99 1.04 -1.01 -2.48 113.70 111.58 2fy4 s SER 540 Ca 0.38 0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.85 2fy4 s SER 540 Cb 0.05 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 2fy4 s SER 540 CO 0.18 -0.12 0.13 -1.58 0.98 0.00 0.00 173.24 172.83 2fy4 s GLN 541 N -1.06 3.99 -0.50 4.02 0.74 -1.26 -1.78 119.66 123.82 2fy4 s GLN 541 Ca 0.06 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.19 2fy4 s GLN 541 Cb -0.01 -3.45 0.15 0.00 1.10 0.00 0.00 33.01 30.80 2fy4 s GLN 541 CO -0.05 0.06 0.32 0.08 -0.55 0.00 0.00 175.29 175.15 2fy4 s VAL 542 N 1.02 1.55 0.45 1.34 1.01 -0.61 -4.95 120.40 120.20 2fy4 s VAL 542 Ca 0.06 -2.98 -0.22 0.00 0.00 0.00 0.00 61.98 58.84 2fy4 s VAL 542 Cb -0.14 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 2fy4 s VAL 542 CO 0.04 -0.99 1.05 -2.16 0.00 0.00 0.00 175.10 173.05 2fy4 s PRO 543 N -0.13 3.95 -0.09 2.72 0.04 -1.26 -4.45 135.00 135.79 2fy4 s PRO 543 Ca 0.22 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 2fy4 s PRO 543 Cb -0.14 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 32.12 2fy4 s PRO 543 CO -0.08 -0.32 0.36 0.95 0.04 0.00 0.00 177.00 177.96 2fy4 s THR 544 N -1.80 0.02 0.02 1.26 -4.23 -1.26 -5.02 115.64 104.63 2fy4 s THR 544 Ca 0.63 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2fy4 s THR 544 Cb -0.20 -0.59 -0.24 0.00 1.34 0.00 0.00 72.50 72.81 2fy4 s THR 544 CO 0.24 -0.11 0.91 0.71 -0.54 0.00 0.00 174.62 175.84 2fy4 h THR 545 N 4.20 1.21 -3.15 3.99 1.35 -1.97 -3.47 112.91 115.06 2fy4 h THR 545 Ca -0.28 -2.94 -0.34 0.00 -0.55 0.00 0.00 66.41 62.30 2fy4 h THR 545 Cb 1.18 2.67 0.16 0.00 -1.73 0.00 0.00 68.15 70.44 2fy4 h THR 545 CO 0.33 0.76 0.14 0.41 -0.25 0.00 0.00 175.52 176.91 2fy4 n THR 546 N -3.30 0.00 1.88 6.82 -1.04 -1.26 -4.93 114.28 112.45 2fy4 n THR 546 Ca -0.12 -0.47 0.13 0.00 -2.04 0.00 0.00 64.05 61.55 2fy4 n THR 546 Cb 1.02 -1.26 0.72 0.00 -1.82 0.00 0.00 70.33 68.99 2fy4 n THR 546 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2fy4 n GLU 547 N -4.20 1.14 -1.90 -2.82 1.02 -1.26 -4.92 120.64 107.71 2fy4 n GLU 547 Ca 0.13 -0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 56.77 2fy4 n GLU 547 Cb 0.50 -1.42 0.08 0.00 -0.02 0.00 0.00 31.44 30.58 2fy4 n GLU 547 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fy4 s MET 548 N -1.98 2.07 0.02 3.49 0.23 -1.26 -4.66 119.30 117.21 2fy4 s MET 548 Ca 0.39 0.15 -0.22 0.00 -1.03 0.00 0.00 55.69 54.98 2fy4 s MET 548 Cb 0.18 -1.96 0.05 0.00 -1.53 0.00 0.00 34.83 31.57 2fy4 s MET 548 CO 0.30 -1.53 0.50 -0.59 -2.03 0.00 0.00 175.02 171.67 2fy4 s PHE 549 N -3.55 -0.40 0.04 3.16 -0.12 -1.07 -4.85 117.98 111.19 2fy4 s PHE 549 Ca 0.62 0.51 0.03 0.00 -0.05 0.00 0.00 56.93 58.04 2fy4 s PHE 549 Cb -0.11 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 2fy4 s PHE 549 CO 0.49 -0.59 0.01 0.00 -0.05 0.00 0.00 175.22 175.09 2fy4 s TYR 552 N -3.85 -0.26 0.92 0.00 -0.85 -1.26 -1.32 117.35 110.73 2fy4 s TYR 552 Ca 0.06 0.06 -0.12 0.00 -0.52 0.00 0.00 57.07 56.55 2fy4 s TYR 552 Cb 0.02 0.58 0.20 0.00 0.38 0.00 0.00 41.96 43.14 2fy4 s TYR 552 CO -0.09 -0.64 1.26 0.20 -1.52 0.00 0.00 175.55 174.76 2fy4 s GLY 553 N -2.66 1.79 0.94 5.49 0.00 -0.41 -4.55 107.32 107.93 2fy4 s GLY 553 Ca 0.08 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 43.24 2fy4 s GLY 553 CO -0.05 -0.67 1.13 -4.14 0.00 0.00 0.00 173.10 169.37 2fy4 s PRO 554 N -5.74 0.90 0.00 2.90 0.02 -1.26 -4.56 135.00 127.26 2fy4 s PRO 554 Ca 0.74 0.33 0.11 0.00 0.02 0.00 0.00 61.00 62.19 2fy4 s PRO 554 Cb -0.03 -1.81 0.06 0.00 0.02 0.00 0.00 34.50 32.75 2fy4 s PRO 554 CO 0.51 -2.37 0.80 1.33 -0.33 0.00 0.00 177.00 176.94 2fy4 n VAL 555 N -3.89 0.00 -3.96 3.83 0.24 -1.26 -4.74 118.33 108.54 2fy4 n VAL 555 Ca 0.06 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.80 2fy4 n VAL 555 Cb 0.59 1.21 -0.11 0.00 -1.47 0.00 0.00 33.84 34.05 2fy4 n VAL 555 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2fy4 s VAL 556 N -1.06 0.10 0.31 3.34 -7.23 -1.26 -4.94 120.40 109.67 2fy4 s VAL 556 Ca 0.12 -0.87 0.09 0.00 -1.81 0.00 0.00 61.98 59.51 2fy4 s VAL 556 Cb 0.09 -0.28 0.31 0.00 0.56 0.00 0.00 36.38 37.06 2fy4 s VAL 556 CO 0.17 -0.48 1.74 -0.65 -0.31 0.00 0.00 175.10 175.57 2fy4 h PRO 557 N 4.62 0.60 -0.78 4.82 0.11 -1.98 -1.95 132.00 137.44 2fy4 h PRO 557 Ca -0.32 -0.04 -0.39 0.00 0.11 0.00 0.00 66.00 65.37 2fy4 h PRO 557 Cb 1.21 -0.14 -0.23 0.00 0.11 0.00 0.00 31.00 31.95 2fy4 h PRO 557 CO 0.41 0.40 0.41 0.27 -0.21 0.00 0.00 178.00 179.27 2fy4 n ASN 558 N -4.86 3.53 -4.11 -2.05 6.94 -1.26 -4.55 115.26 108.90 2fy4 n ASN 558 Ca 0.26 -3.60 -0.25 0.00 -0.02 0.00 0.00 54.58 50.96 2fy4 n ASN 558 Cb 0.71 -0.77 -0.05 0.00 -2.36 0.00 0.00 39.78 37.31 2fy4 n ASN 558 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2fy4 n GLY 559 N -1.02 3.65 3.39 4.83 0.00 -0.73 -4.86 105.19 110.44 2fy4 n GLY 559 Ca 0.50 -2.33 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 2fy4 n GLY 559 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fy4 s TYR 560 N -2.42 1.97 -0.18 1.61 1.51 0.17 -4.39 117.35 115.62 2fy4 s TYR 560 Ca 0.01 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2fy4 s TYR 560 Cb -0.00 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 2fy4 s TYR 560 CO 0.01 0.47 -0.19 0.20 -1.11 0.00 0.00 175.55 174.93 2fy4 s GLY 561 N -3.13 1.40 -0.26 0.71 0.00 -0.19 -1.43 107.32 104.43 2fy4 s GLY 561 Ca 0.23 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 2fy4 s GLY 561 CO 0.09 0.25 0.05 0.00 0.00 0.00 0.00 173.10 173.49 2fy4 s ALA 562 N 1.23 1.48 -0.22 3.20 0.00 -0.31 -1.22 121.76 125.92 2fy4 s ALA 562 Ca 0.03 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 2fy4 s ALA 562 Cb -0.13 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 2fy4 s ALA 562 CO -0.11 -1.43 0.01 0.00 0.00 0.00 0.00 175.76 174.23 2fy4 s TYR 564 N 1.38 2.44 -0.36 0.00 1.13 -0.73 -1.35 117.35 119.86 2fy4 s TYR 564 Ca 0.05 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.42 2fy4 s TYR 564 Cb -0.15 -1.19 0.11 0.00 -1.10 0.00 0.00 41.96 39.64 2fy4 s TYR 564 CO 0.01 0.52 0.13 1.21 -2.51 0.00 0.00 175.55 174.90 2fy4 s ASN 565 N -2.80 4.08 -0.11 -0.18 2.47 0.02 -1.58 114.94 116.85 2fy4 s ASN 565 Ca 0.23 -2.04 -0.30 0.00 0.42 0.00 0.00 52.86 51.18 2fy4 s ASN 565 Cb -0.08 -1.08 -0.01 0.00 -1.45 0.00 0.00 41.25 38.63 2fy4 s ASN 565 CO 0.12 -0.36 1.02 -2.16 -3.72 0.00 0.00 177.10 172.00 2fy4 s PRO 566 N 1.10 4.41 0.43 0.43 0.04 -1.26 -1.65 135.00 138.49 2fy4 s PRO 566 Ca 0.12 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.63 2fy4 s PRO 566 Cb -0.20 -3.55 -0.06 0.00 0.04 0.00 0.00 34.50 30.73 2fy4 s PRO 566 CO -0.15 -0.35 0.03 -0.65 0.04 0.00 0.00 177.00 175.93 2fy4 s GLN 567 N 2.11 2.04 0.25 4.56 -1.52 0.68 -4.88 119.66 122.91 2fy4 s GLN 567 Ca 0.49 -2.13 -0.03 0.00 -1.95 0.00 0.00 55.36 51.74 2fy4 s GLN 567 Cb -0.19 -1.67 0.52 0.00 -0.22 0.00 0.00 33.01 31.45 2fy4 s GLN 567 CO 0.17 -0.12 1.71 -1.35 -0.25 0.00 0.00 175.29 175.45 2fy4 h PRO 568 N 1.64 0.39 0.00 2.91 0.11 -1.96 0.12 132.00 135.21 2fy4 h PRO 568 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2fy4 h PRO 568 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2fy4 h PRO 568 CO 0.78 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 2fy4 n GLU 569 N -5.05 0.18 -3.95 1.05 -0.58 -1.26 -1.81 120.64 109.23 2fy4 n GLU 569 Ca 0.16 -0.79 -0.10 0.00 -0.42 0.00 0.00 57.16 56.01 2fy4 n GLU 569 Cb 0.47 -0.99 -0.07 0.00 -0.57 0.00 0.00 31.44 30.28 2fy4 n GLU 569 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2fy4 s THR 570 N -0.29 0.06 -0.11 2.62 -4.23 -1.22 -3.47 115.64 109.00 2fy4 s THR 570 Ca 0.00 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2fy4 s THR 570 Cb 0.00 -1.82 0.05 0.00 1.34 0.00 0.00 72.50 72.06 2fy4 s THR 570 CO 0.00 -0.29 0.07 -0.63 -0.54 0.00 0.00 174.62 173.24 2fy4 s ILE 571 N -3.96 -0.09 -0.10 2.99 1.01 -0.41 -0.23 121.20 120.41 2fy4 s ILE 571 Ca 0.17 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.70 2fy4 s ILE 571 Cb 0.03 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 2fy4 s ILE 571 CO -0.00 -0.06 0.67 -0.22 0.00 0.00 0.00 174.94 175.32 2fy4 s LEU 572 N 2.15 4.28 -0.15 2.97 2.96 -0.66 -1.40 118.68 128.82 2fy4 s LEU 572 Ca 0.03 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2fy4 s LEU 572 Cb -0.14 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.54 2fy4 s LEU 572 CO -0.06 -0.14 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.31 2fy4 s PHE 573 N 1.03 2.77 -0.42 5.38 0.08 0.29 -0.80 117.98 126.31 2fy4 s PHE 573 Ca 0.35 -1.06 -0.07 0.00 0.12 0.00 0.00 56.93 56.27 2fy4 s PHE 573 Cb -0.17 -1.88 0.09 0.00 -0.57 0.00 0.00 43.02 40.49 2fy4 s PHE 573 CO 0.15 -0.48 0.24 0.00 -0.10 0.00 0.00 175.22 175.03 2fy4 s ILE 575 N 1.32 4.80 0.07 0.00 -1.09 -0.35 -2.30 121.20 123.64 2fy4 s ILE 575 Ca 0.04 -0.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.48 2fy4 s ILE 575 Cb -0.23 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 2fy4 s ILE 575 CO -0.01 0.48 -0.13 -0.94 -1.23 0.00 0.00 174.94 173.11 2fy4 s SER 576 N 0.20 1.58 0.36 3.58 1.04 -0.35 -1.39 113.70 118.71 2fy4 s SER 576 Ca 0.04 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 2fy4 s SER 576 Cb -0.12 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.01 2fy4 s SER 576 CO 0.00 -0.08 0.70 -1.54 0.98 0.00 0.00 173.24 173.30 2fy4 n SER 577 N 1.33 -2.05 -4.30 7.02 3.41 -0.30 -1.02 113.62 117.72 2fy4 n SER 577 Ca -0.21 -2.46 -0.33 0.00 -0.26 0.00 0.00 58.87 55.61 2fy4 n SER 577 Cb 0.54 3.42 -0.15 0.00 -0.26 0.00 0.00 64.21 67.77 2fy4 n SER 577 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2fy4 s PHE 578 N -2.83 2.81 0.50 7.33 2.99 -1.26 -0.52 117.98 127.01 2fy4 s PHE 578 Ca 0.15 -0.90 0.34 0.00 0.00 0.00 0.00 56.93 56.52 2fy4 s PHE 578 Cb -0.04 -1.90 1.87 0.00 0.00 0.00 0.00 43.02 42.95 2fy4 s PHE 578 CO 0.11 -0.40 2.05 0.45 -0.00 0.00 0.00 175.22 177.43 2fy4 h HIS 579 N 7.19 0.00 0.00 0.36 3.86 -0.82 -1.42 115.15 124.32 2fy4 h HIS 579 Ca -0.31 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.82 2fy4 h HIS 579 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2fy4 h HIS 579 CO 0.51 0.00 -0.37 1.03 0.86 0.00 0.00 177.93 179.96 2fy4 h SER 580 N 0.00 0.00 -3.46 2.45 0.87 -1.92 -3.40 113.55 108.09 2fy4 h SER 580 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 2fy4 h SER 580 Cb 0.27 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.08 2fy4 h SER 580 CO 0.00 0.37 0.20 0.00 -0.53 0.00 0.00 176.83 176.87 2fy4 h ALA 582 N 8.98 1.23 -0.01 0.00 0.00 -1.85 -2.43 119.26 125.18 2fy4 h ALA 582 Ca -0.26 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 2fy4 h ALA 582 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2fy4 h ALA 582 CO 0.95 0.00 -0.82 0.00 0.00 0.00 0.00 179.25 179.38 2fy4 h ALA 583 N 2.00 0.59 -2.22 0.00 0.00 -1.94 -3.46 119.26 114.23 2fy4 h ALA 583 Ca -0.00 -0.68 -0.47 0.00 0.00 0.00 0.00 54.91 53.76 2fy4 h ALA 583 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2fy4 h ALA 583 CO 0.00 0.87 -0.22 0.95 0.00 0.00 0.00 179.25 180.85 2fy4 s THR 584 N -3.33 5.09 -0.30 0.00 -4.23 -0.92 -5.02 115.64 106.93 2fy4 s THR 584 Ca -0.03 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 2fy4 s THR 584 Cb 0.10 -3.85 0.16 0.00 1.34 0.00 0.00 72.50 70.25 2fy4 s THR 584 CO 0.82 -0.53 0.82 -0.55 -0.54 0.00 0.00 174.62 174.64 2fy4 s SER 585 N -4.04 -0.89 0.22 3.99 0.15 -1.26 -4.90 113.70 106.98 2fy4 s SER 585 Ca 0.39 1.00 -0.04 0.00 0.70 0.00 0.00 55.95 58.00 2fy4 s SER 585 Cb -0.10 1.92 0.22 0.00 -1.71 0.00 0.00 66.02 66.36 2fy4 s SER 585 CO 0.35 -0.17 1.66 0.28 1.20 0.00 0.00 173.24 176.56 2fy4 h SER 586 N 7.81 0.79 -0.23 5.45 0.02 -1.92 -0.90 113.55 124.58 2fy4 h SER 586 Ca -0.17 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2fy4 h SER 586 Cb 1.13 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2fy4 h SER 586 CO 0.10 0.95 0.09 0.28 -1.14 0.00 0.00 176.83 177.11 2fy4 h SER 587 N 0.70 0.33 -0.69 3.07 0.02 -1.94 -0.83 113.55 114.21 2fy4 h SER 587 Ca 0.11 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2fy4 h SER 587 Cb 0.66 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2fy4 h SER 587 CO 0.05 0.41 0.17 0.11 -1.14 0.00 0.00 176.83 176.43 2fy4 h LYS 588 N 0.22 1.10 -0.55 3.45 1.57 -1.96 -2.18 116.57 118.22 2fy4 h LYS 588 Ca 0.08 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2fy4 h LYS 588 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2fy4 h LYS 588 CO -0.01 0.98 0.13 0.35 -0.57 0.00 0.00 179.45 180.33 2fy4 h PHE 589 N 1.03 0.93 -0.92 -1.35 3.57 -1.01 -0.75 116.94 118.44 2fy4 h PHE 589 Ca 0.22 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2fy4 h PHE 589 Cb 0.37 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 2fy4 h PHE 589 CO 0.03 0.81 0.61 0.00 -2.23 0.00 0.00 178.31 177.52 2fy4 h ALA 590 N 1.01 1.19 -0.65 2.41 0.00 -0.99 0.02 119.26 122.25 2fy4 h ALA 590 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2fy4 h ALA 590 Cb 0.35 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2fy4 h ALA 590 CO 0.00 0.53 0.29 -0.22 0.00 0.00 0.00 179.25 179.85 2fy4 h LYS 591 N 1.22 0.95 -0.10 0.00 1.63 -0.99 -1.54 116.57 117.74 2fy4 h LYS 591 Ca 0.35 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 2fy4 h LYS 591 Cb -0.09 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 2fy4 h LYS 591 CO -0.09 0.78 -0.23 0.00 -3.45 0.00 0.00 179.45 176.46 2fy4 h ALA 592 N 1.13 1.43 -0.18 5.00 0.00 -0.25 -1.10 119.26 125.28 2fy4 h ALA 592 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2fy4 h ALA 592 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fy4 h ALA 592 CO -0.02 0.40 -0.00 0.28 0.00 0.00 0.00 179.25 179.91 2fy4 h VAL 593 N 0.16 1.26 0.08 0.00 2.07 -0.43 -0.28 116.25 119.10 2fy4 h VAL 593 Ca 0.03 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2fy4 h VAL 593 Cb 0.50 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2fy4 h VAL 593 CO 0.03 0.26 -0.20 -0.08 0.02 0.00 0.00 177.57 177.61 2fy4 h GLU 594 N 0.06 -0.35 -0.80 1.57 4.81 -0.77 0.20 114.58 119.31 2fy4 h GLU 594 Ca 0.05 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2fy4 h GLU 594 Cb 0.40 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2fy4 h GLU 594 CO 0.01 -0.23 0.53 0.93 -0.73 0.00 0.00 179.01 179.52 2fy4 h GLU 595 N -0.36 1.03 -0.41 1.92 5.08 -1.17 -0.50 114.58 120.17 2fy4 h GLU 595 Ca 0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2fy4 h GLU 595 Cb 0.39 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2fy4 h GLU 595 CO -0.13 0.68 0.10 0.77 -1.00 0.00 0.00 179.01 179.43 2fy4 h SER 596 N 1.06 0.63 -0.63 1.42 0.02 -0.43 0.66 113.55 116.28 2fy4 h SER 596 Ca 0.30 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2fy4 h SER 596 Cb -0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2fy4 h SER 596 CO -0.07 0.70 0.12 -0.07 -1.14 0.00 0.00 176.83 176.37 2fy4 h LEU 597 N 0.52 1.01 -0.00 5.07 3.38 -0.43 -0.97 115.31 123.89 2fy4 h LEU 597 Ca 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2fy4 h LEU 597 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2fy4 h LEU 597 CO 0.00 0.99 0.00 0.40 0.09 0.00 0.00 178.44 179.93 2fy4 h ILE 598 N 1.00 1.15 -0.39 1.22 1.08 -0.84 -1.42 117.51 119.31 2fy4 h ILE 598 Ca 0.20 -0.45 0.06 0.00 -0.39 0.00 0.00 64.86 64.28 2fy4 h ILE 598 Cb 0.41 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 2fy4 h ILE 598 CO 0.01 0.12 0.06 0.44 -0.69 0.00 0.00 178.15 178.08 2fy4 h ASP 599 N -0.18 -0.04 -0.84 1.72 3.45 -0.71 0.09 116.42 119.91 2fy4 h ASP 599 Ca 0.00 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 2fy4 h ASP 599 Cb 0.19 0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 2fy4 h ASP 599 CO -0.00 0.02 0.42 0.24 -1.57 0.00 0.00 179.24 178.35 2fy4 h MET 600 N 0.18 1.21 -0.19 3.56 2.86 -1.10 -0.61 114.93 120.84 2fy4 h MET 600 Ca 0.19 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2fy4 h MET 600 Cb 0.23 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2fy4 h MET 600 CO -0.26 0.92 0.11 -0.09 1.06 0.00 0.00 176.91 178.65 2fy4 h ARG 601 N 1.20 0.26 -0.94 1.72 2.43 -0.44 -1.03 114.38 117.58 2fy4 h ARG 601 Ca 0.29 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2fy4 h ARG 601 Cb 0.10 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2fy4 h ARG 601 CO -0.04 0.23 0.62 -0.44 -1.51 0.00 0.00 179.97 178.84 2fy4 h ASP 602 N 0.22 1.07 -0.68 -3.80 3.32 -0.53 -1.58 116.42 114.43 2fy4 h ASP 602 Ca 0.07 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2fy4 h ASP 602 Cb 0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2fy4 h ASP 602 CO -0.01 0.76 0.29 -0.07 -1.72 0.00 0.00 179.24 178.49 2fy4 h LEU 603 N 1.25 0.93 -0.44 1.55 3.38 -0.68 -2.47 115.31 118.83 2fy4 h LEU 603 Ca 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2fy4 h LEU 603 Cb -0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.41 2fy4 h LEU 603 CO -0.09 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.28 2fy4 n SER 605 N -2.35 4.38 0.00 0.00 7.64 -0.65 -5.08 113.62 117.55 2fy4 n SER 605 Ca 0.03 -2.48 0.12 0.00 1.01 0.00 0.00 58.87 57.56 2fy4 n SER 605 Cb 0.33 -0.57 0.72 0.00 -1.01 0.00 0.00 64.21 63.69 2fy4 n SER 605 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21