#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2woh s MET 7 N 0.00 1.53 0.02 1.57 -1.94 -1.26 -3.74 119.30 115.48 2woh s MET 7 Ca 0.00 -1.85 -0.08 0.00 -1.71 0.00 0.00 55.69 52.05 2woh s MET 7 Cb 0.00 -0.36 -0.00 0.00 2.01 0.00 0.00 34.83 36.48 2woh s MET 7 CO 0.00 -0.33 0.15 0.54 -0.01 0.00 0.00 175.02 175.37 2woh s VAL 8 N -3.60 0.10 -0.16 -6.03 0.11 -0.43 -4.93 120.40 105.46 2woh s VAL 8 Ca 0.36 -0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 58.27 2woh s VAL 8 Cb 0.07 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 2woh s VAL 8 CO 0.15 -0.47 1.86 -2.16 -3.33 0.00 0.00 175.10 171.15 2woh s PRO 9 N -2.02 3.69 0.06 1.54 0.04 -1.26 -1.48 135.00 135.57 2woh s PRO 9 Ca -0.10 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.72 2woh s PRO 9 Cb -0.04 -4.16 -0.07 0.00 0.04 0.00 0.00 34.50 30.27 2woh s PRO 9 CO -0.01 -1.45 1.30 1.98 0.04 0.00 0.00 177.00 178.86 2woh h MET 10 N 11.90 -0.34 -0.42 4.56 4.05 -1.72 -2.04 114.93 130.91 2woh h MET 10 Ca -0.39 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.13 2woh h MET 10 Cb 1.20 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 32.00 2woh h MET 10 CO 0.98 -0.23 -0.04 0.22 0.23 0.00 0.00 176.91 178.07 2woh h ASP 11 N -0.35 -0.25 -0.42 1.39 3.58 -1.91 -0.36 116.42 118.10 2woh h ASP 11 Ca 0.01 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 2woh h ASP 11 Cb 0.39 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2woh h ASP 11 CO -0.22 -0.08 0.03 0.50 -2.88 0.00 0.00 179.24 176.59 2woh h LYS 12 N 0.07 0.72 -0.55 0.28 3.64 -1.95 -2.72 116.57 116.06 2woh h LYS 12 Ca 0.21 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2woh h LYS 12 Cb 0.31 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2woh h LYS 12 CO -0.38 0.78 0.35 1.15 -2.27 0.00 0.00 179.45 179.08 2woh h THR 13 N 0.56 1.15 0.00 1.00 2.02 -0.50 -2.31 112.91 114.83 2woh h THR 13 Ca 0.12 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2woh h THR 13 Cb 0.43 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2woh h THR 13 CO 0.02 0.15 -0.28 -0.07 0.37 0.00 0.00 175.52 175.70 2woh h LEU 14 N 0.74 0.00 -0.13 2.58 3.38 -1.07 -1.80 115.31 119.01 2woh h LEU 14 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2woh h LEU 14 Cb -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2woh h LEU 14 CO -0.04 0.28 -0.15 0.11 0.09 0.00 0.00 178.44 178.74 2woh h LYS 15 N 0.00 0.32 -0.15 1.13 6.56 -1.10 0.13 116.57 123.46 2woh h LYS 15 Ca -0.00 -0.18 0.04 0.00 -1.06 0.00 0.00 60.65 59.45 2woh h LYS 15 Cb 0.60 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.23 2woh h LYS 15 CO 0.04 0.73 -0.08 0.93 -2.06 0.00 0.00 179.45 179.01 2woh h GLU 16 N -0.07 -0.07 0.00 3.15 4.39 -1.25 -1.72 114.58 119.01 2woh h GLU 16 Ca 0.02 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2woh h GLU 16 Cb 0.68 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2woh h GLU 16 CO 0.04 -0.05 -0.02 0.35 -1.16 0.00 0.00 179.01 178.16 2woh h PHE 17 N -0.08 0.00 0.00 4.33 3.57 -1.29 -3.46 116.94 120.01 2woh h PHE 17 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2woh h PHE 17 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2woh h PHE 17 CO -0.22 0.02 0.00 0.41 -2.23 0.00 0.00 178.31 176.29 2woh n GLY 18 N -1.15 1.24 3.74 2.40 0.00 -0.30 -5.07 105.19 106.05 2woh n GLY 18 Ca -0.03 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2woh n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2woh s ALA 19 N -2.00 3.47 0.25 4.61 0.00 -0.12 -4.90 121.76 123.07 2woh s ALA 19 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 2woh s ALA 19 Cb 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 2woh s ALA 19 CO 0.00 0.67 1.23 0.34 0.00 0.00 0.00 175.76 178.00 2woh s ASP 20 N -1.60 7.00 -0.10 0.00 2.15 0.05 -4.43 116.67 119.74 2woh s ASP 20 Ca 0.21 2.41 0.03 0.00 0.43 0.00 0.00 52.55 55.63 2woh s ASP 20 Cb -0.12 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 2woh s ASP 20 CO 0.12 -0.40 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.83 2woh s VAL 21 N -0.57 1.74 -0.07 1.11 1.01 -1.26 -1.91 120.40 120.45 2woh s VAL 21 Ca 0.51 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2woh s VAL 21 Cb -0.35 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.52 2woh s VAL 21 CO 0.42 0.49 -0.06 -1.10 0.00 0.00 0.00 175.10 174.86 2woh s GLN 22 N 0.56 1.09 -0.21 2.72 -1.52 -0.81 -5.01 119.66 116.47 2woh s GLN 22 Ca -0.15 -0.15 -0.06 0.00 -1.95 0.00 0.00 55.36 53.05 2woh s GLN 22 Cb -0.17 -1.13 -0.03 0.00 -0.22 0.00 0.00 33.01 31.47 2woh s GLN 22 CO 0.05 -0.15 0.04 -0.46 -0.25 0.00 0.00 175.29 174.52 2woh s TRP 23 N 1.25 3.10 -0.41 0.91 -0.11 -1.26 -1.23 118.94 121.19 2woh s TRP 23 Ca -0.05 -0.33 -0.08 0.00 1.22 0.00 0.00 56.10 56.87 2woh s TRP 23 Cb -0.14 -2.13 0.08 0.00 -1.50 0.00 0.00 33.47 29.78 2woh s TRP 23 CO -0.02 -0.19 0.23 0.34 -4.62 0.00 0.00 176.95 172.69 2woh s ASP 24 N 1.07 5.52 0.35 5.86 -1.08 -0.47 -4.97 116.67 122.95 2woh s ASP 24 Ca 0.03 -1.59 0.09 0.00 -0.52 0.00 0.00 52.55 50.56 2woh s ASP 24 Cb -0.14 -1.94 0.65 0.00 -1.46 0.00 0.00 42.92 40.02 2woh s ASP 24 CO 0.02 -0.53 1.82 -0.78 0.52 0.00 0.00 175.17 176.23 2woh h ASP 25 N 8.32 0.20 -0.16 -0.34 3.58 -1.96 0.60 116.42 126.66 2woh h ASP 25 Ca -0.21 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.12 2woh h ASP 25 Cb 1.07 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2woh h ASP 25 CO 0.74 0.48 -0.13 0.22 -2.88 0.00 0.00 179.24 177.66 2woh h TYR 26 N 0.18 0.43 -0.01 0.28 3.20 -1.97 -3.13 116.97 115.96 2woh h TYR 26 Ca 0.03 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2woh h TYR 26 Cb 0.58 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.76 2woh h TYR 26 CO 0.01 0.73 -0.28 0.00 -1.64 0.00 0.00 178.16 176.98 2woh n ALA 27 N -2.41 3.12 -3.71 1.82 0.00 -1.12 -4.95 120.51 113.27 2woh n ALA 27 Ca -0.06 -0.41 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 2woh n ALA 27 Cb 0.35 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.72 2woh n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2woh n GLN 28 N -0.65 -2.66 -3.82 0.00 1.13 0.20 -4.95 117.38 106.63 2woh n GLN 28 Ca 0.12 0.52 -0.16 0.00 -1.94 0.00 0.00 57.00 55.54 2woh n GLN 28 Cb 0.35 -4.61 -0.16 0.00 0.11 0.00 0.00 30.24 25.94 2woh n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2woh s LEU 29 N -6.54 1.12 -0.01 1.08 2.96 -0.79 -4.23 118.68 112.28 2woh s LEU 29 Ca 0.26 0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 54.00 2woh s LEU 29 Cb -0.08 -0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.44 2woh s LEU 29 CO 0.84 -0.12 0.54 -0.36 -1.32 0.00 0.00 176.35 175.94 2woh s PHE 30 N 1.04 3.69 -0.21 5.38 0.08 0.11 -1.36 117.98 126.70 2woh s PHE 30 Ca -0.09 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.09 2woh s PHE 30 Cb -0.13 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2woh s PHE 30 CO -0.03 0.41 -0.14 0.99 -0.10 0.00 0.00 175.22 176.36 2woh s THR 31 N -0.37 2.33 -0.09 0.64 2.01 -0.36 -1.60 115.64 118.20 2woh s THR 31 Ca 0.29 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2woh s THR 31 Cb -0.18 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 2woh s THR 31 CO 0.16 0.35 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.56 2woh s LEU 32 N 1.27 2.84 -0.03 4.42 1.43 0.32 -1.93 118.68 126.99 2woh s LEU 32 Ca 0.01 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2woh s LEU 32 Cb -0.15 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2woh s LEU 32 CO -0.09 0.27 -0.11 -0.63 0.23 0.00 0.00 176.35 176.02 2woh s ILE 33 N -0.26 0.98 -0.28 -0.59 1.01 -0.80 -0.09 121.20 121.16 2woh s ILE 33 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2woh s ILE 33 Cb -0.13 -0.86 0.17 0.00 0.01 0.00 0.00 42.46 41.65 2woh s ILE 33 CO 0.03 0.30 0.53 -0.75 0.00 0.00 0.00 174.94 175.05 2woh s LYS 34 N 0.19 0.50 4.95 2.79 2.47 -0.36 -0.77 119.74 129.51 2woh s LYS 34 Ca -0.04 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 2woh s LYS 34 Cb -0.10 0.24 0.00 0.00 -1.46 0.00 0.00 37.83 36.52 2woh s LYS 34 CO 0.01 -0.63 0.00 -0.25 0.16 0.00 0.00 175.35 174.64 2woh n ASP 35 N 5.41 0.00 -0.00 1.43 8.00 -1.26 -0.29 116.55 129.84 2woh n ASP 35 Ca -0.02 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.64 2woh n ASP 35 Cb 0.51 0.00 0.91 0.00 -0.02 0.00 0.00 41.12 42.52 2woh n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2woh n GLY 36 N 0.00 -1.04 3.58 0.44 0.00 -1.26 -4.75 105.19 102.16 2woh n GLY 36 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2woh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2woh s ALA 37 N -2.09 3.54 -0.30 4.61 0.00 0.61 -4.46 121.76 123.66 2woh s ALA 37 Ca 0.45 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2woh s ALA 37 Cb 0.22 -2.75 0.07 0.00 0.00 0.00 0.00 23.12 20.65 2woh s ALA 37 CO 0.38 -0.81 -0.02 -0.47 0.00 0.00 0.00 175.76 174.84 2woh s TYR 38 N 2.07 3.37 0.01 0.00 6.14 -1.26 -1.22 117.35 126.46 2woh s TYR 38 Ca 0.14 -2.28 0.06 0.00 0.64 0.00 0.00 57.07 55.63 2woh s TYR 38 Cb -0.16 -2.25 -0.03 0.00 0.42 0.00 0.00 41.96 39.94 2woh s TYR 38 CO 0.11 -0.87 -0.17 0.08 0.64 0.00 0.00 175.55 175.33 2woh s VAL 39 N 1.13 2.83 -0.08 3.14 1.01 0.87 -1.76 120.40 127.53 2woh s VAL 39 Ca -0.03 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2woh s VAL 39 Cb -0.20 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2woh s VAL 39 CO -0.04 0.42 -0.08 -0.54 0.00 0.00 0.00 175.10 174.86 2woh s LYS 40 N -1.21 1.43 -0.03 2.72 1.02 0.15 -0.53 119.74 123.29 2woh s LYS 40 Ca 0.14 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.85 2woh s LYS 40 Cb -0.10 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.86 2woh s LYS 40 CO 0.04 -0.14 0.07 0.54 -0.92 0.00 0.00 175.35 174.93 2woh s VAL 41 N 1.25 -0.04 -0.13 3.17 0.11 -0.63 -0.30 120.40 123.83 2woh s VAL 41 Ca -0.04 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 2woh s VAL 41 Cb -0.14 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2woh s VAL 41 CO -0.03 0.06 0.12 -0.54 -3.33 0.00 0.00 175.10 171.38 2woh s LYS 42 N 0.84 3.51 0.27 1.54 1.02 -1.26 -0.71 119.74 124.94 2woh s LYS 42 Ca -0.07 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 2woh s LYS 42 Cb -0.09 -3.17 -0.13 0.00 -0.52 0.00 0.00 37.83 33.91 2woh s LYS 42 CO -0.03 0.69 1.35 -2.30 -0.92 0.00 0.00 175.35 174.14 2woh n PRO 43 N 2.26 2.02 0.00 -1.68 -0.02 -1.26 -1.55 135.00 134.78 2woh n PRO 43 Ca -0.19 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2woh n PRO 43 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2woh n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2woh n GLY 44 N 1.68 2.63 3.76 -1.23 0.00 0.19 -4.93 105.19 107.29 2woh n GLY 44 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2woh n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2woh s ALA 45 N -1.61 2.53 -1.17 4.61 0.00 -0.59 -4.87 121.76 120.66 2woh s ALA 45 Ca 0.00 0.84 0.22 0.00 0.00 0.00 0.00 51.96 53.02 2woh s ALA 45 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2woh s ALA 45 CO 0.00 -1.14 1.04 1.04 0.00 0.00 0.00 175.76 176.70 2woh n GLN 46 N -1.79 0.19 -4.21 0.00 1.13 -1.26 -4.40 117.38 107.05 2woh n GLN 46 Ca 0.12 -0.15 -0.17 0.00 -1.94 0.00 0.00 57.00 54.86 2woh n GLN 46 Cb 0.51 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.25 2woh n GLN 46 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2woh s THR 47 N -2.91 1.18 0.43 5.09 -4.23 -1.26 -0.75 115.64 113.19 2woh s THR 47 Ca 0.11 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 2woh s THR 47 Cb 0.17 -1.40 -0.06 0.00 1.34 0.00 0.00 72.50 72.55 2woh s THR 47 CO 0.79 -0.42 0.01 0.00 -0.54 0.00 0.00 174.62 174.46 2woh s ALA 48 N -2.07 3.40 -0.19 3.99 0.00 0.14 -4.66 121.76 122.36 2woh s ALA 48 Ca 0.06 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.15 2woh s ALA 48 Cb -0.05 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2woh s ALA 48 CO 0.02 -0.10 -0.15 0.42 0.00 0.00 0.00 175.76 175.95 2woh s ILE 49 N -2.75 2.52 -0.21 0.00 -1.09 0.59 0.02 121.20 120.28 2woh s ILE 49 Ca 0.28 -0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 2woh s ILE 49 Cb 0.08 -2.09 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 2woh s ILE 49 CO 0.15 0.50 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.57 2woh s VAL 50 N 1.30 2.80 -1.15 2.92 1.01 0.21 -0.68 120.40 126.82 2woh s VAL 50 Ca 0.04 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2woh s VAL 50 Cb -0.14 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 34.03 2woh s VAL 50 CO -0.09 0.41 0.38 0.59 0.00 0.00 0.00 175.10 176.39 2woh n ASN 51 N 4.70 -3.21 0.00 3.32 3.02 -0.72 -0.76 115.26 121.62 2woh n ASN 51 Ca -0.19 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 2woh n ASN 51 Cb 0.50 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 2woh n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2woh n GLY 52 N -1.03 0.75 3.33 7.41 0.00 -1.24 -4.55 105.19 109.85 2woh n GLY 52 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2woh n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2woh s GLN 53 N -0.71 2.50 0.27 1.61 -1.52 0.07 -5.09 119.66 116.79 2woh s GLN 53 Ca 0.00 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.27 2woh s GLN 53 Cb 0.00 -2.22 -0.09 0.00 -0.22 0.00 0.00 33.01 30.48 2woh s GLN 53 CO 0.00 0.46 1.14 -1.25 -0.25 0.00 0.00 175.29 175.40 2woh s PRO 54 N -0.35 4.58 -0.05 2.91 0.04 -1.26 -0.62 135.00 140.24 2woh s PRO 54 Ca 0.02 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.97 2woh s PRO 54 Cb -0.12 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 2woh s PRO 54 CO 0.02 0.11 -0.18 -1.17 0.04 0.00 0.00 177.00 175.82 2woh s LEU 55 N -1.24 1.91 0.25 -3.56 2.96 0.10 -4.89 118.68 114.21 2woh s LEU 55 Ca 0.47 -0.38 -0.24 0.00 -0.22 0.00 0.00 54.13 53.76 2woh s LEU 55 Cb -0.33 -1.03 -0.09 0.00 0.50 0.00 0.00 46.19 45.25 2woh s LEU 55 CO 0.42 0.15 0.82 0.00 -1.32 0.00 0.00 176.35 176.41 2woh s ALA 56 N 0.13 3.35 -0.08 5.97 0.00 -1.26 0.27 121.76 130.14 2woh s ALA 56 Ca -0.07 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.30 2woh s ALA 56 Cb -0.13 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 2woh s ALA 56 CO 0.03 0.26 -0.24 -0.51 0.00 0.00 0.00 175.76 175.31 2woh s LEU 57 N -1.78 2.06 0.04 0.00 1.43 0.07 -4.88 118.68 115.63 2woh s LEU 57 Ca 0.44 -0.53 -0.33 0.00 -1.03 0.00 0.00 54.13 52.68 2woh s LEU 57 Cb -0.19 -1.36 -0.18 0.00 0.03 0.00 0.00 46.19 44.48 2woh s LEU 57 CO 0.24 0.18 1.40 1.56 0.23 0.00 0.00 176.35 179.96 2woh h GLN 58 N 6.51 -1.06 -4.56 1.70 4.20 -1.98 -3.42 115.11 116.50 2woh h GLN 58 Ca -0.24 0.07 -0.71 0.00 0.06 0.00 0.00 58.65 57.84 2woh h GLN 58 Cb 1.22 0.24 -0.21 0.00 0.30 0.00 0.00 27.48 29.02 2woh h GLN 58 CO 0.47 -0.70 -0.46 0.08 -0.67 0.00 0.00 178.83 177.55 2woh s VAL 59 N -5.48 5.10 0.88 -0.54 1.01 -1.26 -5.05 120.40 115.06 2woh s VAL 59 Ca -0.17 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 2woh s VAL 59 Cb 0.02 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.72 2woh s VAL 59 CO 0.54 -0.24 1.13 -2.84 0.00 0.00 0.00 175.10 173.69 2woh s PRO 60 N 1.66 1.40 0.20 2.72 0.02 -1.26 -4.75 135.00 134.99 2woh s PRO 60 Ca 0.05 0.37 -0.30 0.00 0.02 0.00 0.00 61.00 61.14 2woh s PRO 60 Cb -0.19 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 2woh s PRO 60 CO 0.09 -2.03 1.20 0.08 -0.33 0.00 0.00 177.00 176.01 2woh s VAL 61 N -3.26 3.48 -0.17 3.83 1.01 -1.26 -4.79 120.40 119.24 2woh s VAL 61 Ca 0.63 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.88 2woh s VAL 61 Cb -0.15 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2woh s VAL 61 CO 0.53 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 175.06 2woh s VAL 62 N -0.23 3.08 -0.19 2.92 1.01 0.13 0.55 120.40 127.67 2woh s VAL 62 Ca 0.52 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 2woh s VAL 62 Cb -0.33 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2woh s VAL 62 CO 0.38 0.49 0.46 -0.32 0.00 0.00 0.00 175.10 176.11 2woh s MET 63 N 0.90 4.21 -0.30 2.72 1.75 -1.26 0.01 119.30 127.33 2woh s MET 63 Ca -0.02 0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.72 2woh s MET 63 Cb -0.15 -3.53 0.10 0.00 2.84 0.00 0.00 34.83 34.09 2woh s MET 63 CO -0.00 -0.05 0.11 0.15 -0.65 0.00 0.00 175.02 174.58 2woh s LYS 64 N 1.33 0.43 -1.40 4.11 1.02 -0.13 -4.84 119.74 120.25 2woh s LYS 64 Ca 0.22 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.38 2woh s LYS 64 Cb -0.15 -1.55 0.04 0.00 -0.52 0.00 0.00 37.83 35.65 2woh s LYS 64 CO 0.09 -0.99 0.91 -0.25 -0.92 0.00 0.00 175.35 174.19 2woh n ASP 65 N 5.07 -3.48 -0.14 2.83 10.43 -1.26 -2.02 116.55 127.98 2woh n ASP 65 Ca -0.04 -0.75 -0.02 0.00 2.57 0.00 0.00 54.79 56.55 2woh n ASP 65 Cb 0.42 -4.22 -0.01 0.00 1.84 0.00 0.00 41.12 39.16 2woh n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2woh n ASN 66 N -2.97 -3.73 -4.28 -2.24 3.02 -1.26 -5.01 115.26 98.79 2woh n ASN 66 Ca -0.11 0.04 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 2woh n ASN 66 Cb 0.60 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.23 2woh n ASN 66 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2woh s LYS 67 N -1.16 3.21 0.25 3.52 1.02 -0.86 -5.12 119.74 120.61 2woh s LYS 67 Ca 0.00 -0.78 -0.22 0.00 0.02 0.00 0.00 55.97 55.00 2woh s LYS 67 Cb 0.00 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2woh s LYS 67 CO 0.00 0.15 0.80 0.00 -0.92 0.00 0.00 175.35 175.38 2woh s ALA 68 N 0.47 3.35 -0.01 5.17 0.00 -1.26 -0.96 121.76 128.52 2woh s ALA 68 Ca -0.12 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2woh s ALA 68 Cb -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2woh s ALA 68 CO 0.05 0.28 -0.03 -1.58 0.00 0.00 0.00 175.76 174.47 2woh s TRP 69 N -1.55 0.39 0.09 0.00 0.52 0.10 -2.01 118.94 116.49 2woh s TRP 69 Ca 0.45 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.54 2woh s TRP 69 Cb -0.17 -0.30 -0.03 0.00 -1.15 0.00 0.00 33.47 31.81 2woh s TRP 69 CO 0.22 -0.04 -0.10 0.14 0.02 0.00 0.00 176.95 177.18 2woh s VAL 70 N 0.18 0.94 1.03 4.03 -7.23 -0.55 -0.69 120.40 118.12 2woh s VAL 70 Ca -0.02 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 2woh s VAL 70 Cb -0.05 -1.29 0.21 0.00 0.56 0.00 0.00 36.38 35.81 2woh s VAL 70 CO -0.00 -0.51 1.08 -0.94 -0.31 0.00 0.00 175.10 174.42 2woh s SER 71 N -2.32 2.12 0.00 4.85 1.04 -1.26 -1.31 113.70 116.83 2woh s SER 71 Ca 0.04 1.72 0.25 0.00 0.48 0.00 0.00 55.95 58.45 2woh s SER 71 Cb -0.04 -2.36 1.29 0.00 0.10 0.00 0.00 66.02 65.01 2woh s SER 71 CO 0.00 -3.52 1.86 -0.90 0.98 0.00 0.00 173.24 171.66 2woh n ASP 72 N -4.48 0.00 -0.68 7.02 5.75 -1.25 -2.28 116.55 120.63 2woh n ASP 72 Ca 0.07 -0.09 0.07 0.00 -0.01 0.00 0.00 54.79 54.82 2woh n ASP 72 Cb 0.54 -0.28 0.13 0.00 -1.03 0.00 0.00 41.12 40.48 2woh n ASP 72 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2woh n THR 73 N -1.28 0.53 -0.16 2.12 -2.24 -1.26 -4.69 114.28 107.30 2woh n THR 73 Ca 0.12 -0.76 -0.03 0.00 -2.27 0.00 0.00 64.05 61.10 2woh n THR 73 Cb 0.20 0.87 0.06 0.00 -2.10 0.00 0.00 70.33 69.36 2woh n THR 73 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2woh h PHE 74 N 2.59 0.29 -0.76 4.78 3.04 -1.81 0.12 116.94 125.19 2woh h PHE 74 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2woh h PHE 74 Cb 0.69 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.11 2woh h PHE 74 CO 0.15 0.09 0.35 0.82 -2.02 0.00 0.00 178.31 177.69 2woh h ILE 75 N 0.33 1.24 0.06 1.41 2.04 -1.84 -1.02 117.51 119.75 2woh h ILE 75 Ca 0.24 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2woh h ILE 75 Cb 0.26 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2woh h ILE 75 CO -0.25 0.30 -0.03 0.78 0.00 0.00 0.00 178.15 178.95 2woh h ASN 76 N 1.09 -0.07 -0.96 1.72 -0.26 -1.81 -1.62 115.58 113.67 2woh h ASN 76 Ca 0.26 -0.55 0.24 0.00 -0.56 0.00 0.00 56.30 55.70 2woh h ASN 76 Cb 0.14 0.02 -0.13 0.00 -1.06 0.00 0.00 38.32 37.29 2woh h ASN 76 CO -0.03 0.56 0.50 0.44 -1.06 0.00 0.00 177.43 177.84 2woh h ASP 77 N -0.76 0.51 0.00 5.81 3.32 -0.80 -1.69 116.42 122.80 2woh h ASP 77 Ca -0.01 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2woh h ASP 77 Cb 0.61 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2woh h ASP 77 CO 0.01 0.04 -0.16 0.58 -1.72 0.00 0.00 179.24 177.99 2woh h VAL 78 N 0.48 0.00 0.00 -1.35 2.07 -1.26 -3.30 116.25 112.89 2woh h VAL 78 Ca 0.62 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2woh h VAL 78 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2woh h VAL 78 CO -0.51 0.00 0.00 0.49 0.02 0.00 0.00 177.57 177.57 2woh n PHE 79 N -3.17 0.00 -1.26 1.57 3.72 -0.61 -1.80 117.46 115.90 2woh n PHE 79 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 2woh n PHE 79 Cb 0.08 -0.36 0.16 0.00 -0.94 0.00 0.00 39.48 38.42 2woh n PHE 79 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2woh n GLN 80 N -1.36 1.32 0.01 -1.08 6.02 -0.64 -4.80 117.38 116.85 2woh n GLN 80 Ca 0.09 -2.74 -0.12 0.00 -0.01 0.00 0.00 57.00 54.22 2woh n GLN 80 Cb 0.20 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 2woh n GLN 80 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2woh h SER 81 N 0.30 0.07 0.00 1.08 4.64 -1.43 -3.48 113.55 114.73 2woh h SER 81 Ca -0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2woh h SER 81 Cb 1.02 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2woh h SER 81 CO 0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 2woh n GLY 82 N -0.75 1.31 0.10 -0.77 0.00 -1.26 -4.94 105.19 98.88 2woh n GLY 82 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2woh n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2woh n LEU 83 N 0.00 0.76 -4.45 0.99 4.77 -1.26 -4.27 117.00 113.54 2woh n LEU 83 Ca 0.00 0.58 -0.44 0.00 -0.03 0.00 0.00 56.01 56.12 2woh n LEU 83 Cb 0.00 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2woh n LEU 83 CO 0.00 -0.19 0.53 -0.62 -1.33 0.00 0.00 177.39 175.78 2woh s ASP 84 N -4.43 6.23 -0.04 -1.43 2.15 -1.26 -4.65 116.67 113.23 2woh s ASP 84 Ca 0.11 -0.93 0.14 0.00 0.43 0.00 0.00 52.55 52.30 2woh s ASP 84 Cb 0.13 -2.35 0.48 0.00 -0.30 0.00 0.00 42.92 40.87 2woh s ASP 84 CO 0.58 -1.13 1.38 0.00 -0.17 0.00 0.00 175.17 175.82 2woh n GLN 85 N 6.82 2.54 -0.07 4.34 6.02 -1.26 -4.44 117.38 131.34 2woh n GLN 85 Ca -0.05 -1.93 -0.10 0.00 -0.01 0.00 0.00 57.00 54.92 2woh n GLN 85 Cb 0.45 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 2woh n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2woh h THR 86 N 2.95 1.12 -3.40 5.09 2.02 -1.90 -3.41 112.91 115.38 2woh h THR 86 Ca 0.00 -0.31 -0.62 0.00 0.77 0.00 0.00 66.41 66.25 2woh h THR 86 Cb 0.88 0.89 -0.17 0.00 -1.74 0.00 0.00 68.15 68.01 2woh h THR 86 CO 0.08 0.11 -0.57 -0.36 0.37 0.00 0.00 175.52 175.15 2woh s PHE 87 N -5.86 3.21 0.24 3.16 0.08 -1.26 0.20 117.98 117.75 2woh s PHE 87 Ca -0.13 -0.02 0.10 0.00 0.12 0.00 0.00 56.93 57.00 2woh s PHE 87 Cb 0.08 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2woh s PHE 87 CO 0.71 0.04 -0.09 -0.65 -0.10 0.00 0.00 175.22 175.12 2woh s GLN 88 N 0.69 2.04 0.27 0.44 -1.52 -0.50 -4.96 119.66 116.13 2woh s GLN 88 Ca 0.04 -1.46 -0.15 0.00 -1.95 0.00 0.00 55.36 51.84 2woh s GLN 88 Cb -0.13 -2.05 -0.08 0.00 -0.22 0.00 0.00 33.01 30.52 2woh s GLN 88 CO 0.02 0.38 0.68 0.14 -0.25 0.00 0.00 175.29 176.26 2woh s VAL 89 N -2.13 4.72 -0.20 1.09 -7.23 -1.26 -2.97 120.40 112.42 2woh s VAL 89 Ca 0.28 0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 61.18 2woh s VAL 89 Cb -0.07 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.17 2woh s VAL 89 CO 0.17 -0.04 0.58 -0.70 -0.31 0.00 0.00 175.10 174.80 2woh s GLU 90 N -2.64 4.19 -0.05 4.82 2.12 -1.26 -4.79 118.70 121.08 2woh s GLU 90 Ca 0.49 0.52 -0.08 0.00 0.36 0.00 0.00 54.97 56.26 2woh s GLU 90 Cb -0.12 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2woh s GLU 90 CO 0.19 -0.22 0.38 -0.22 -0.54 0.00 0.00 175.26 174.84 2woh h LYS 91 N 7.52 -0.28 -4.78 4.30 1.63 -1.97 -3.43 116.57 119.57 2woh h LYS 91 Ca -0.32 0.02 -0.66 0.00 -0.85 0.00 0.00 60.65 58.84 2woh h LYS 91 Cb 1.15 0.06 -0.19 0.00 -0.60 0.00 0.00 32.23 32.65 2woh h LYS 91 CO 0.76 -0.19 -0.50 1.03 -3.45 0.00 0.00 179.45 177.10 2woh s ARG 92 N -2.48 3.61 0.15 1.90 0.52 -1.26 -5.06 118.95 116.34 2woh s ARG 92 Ca -0.04 -0.55 -0.33 0.00 -0.52 0.00 0.00 55.73 54.29 2woh s ARG 92 Cb 0.00 -3.72 -0.12 0.00 0.52 0.00 0.00 34.95 31.63 2woh s ARG 92 CO 0.13 -0.36 1.72 -0.35 0.02 0.00 0.00 175.30 176.46 2woh n PRO 93 N 5.07 2.52 -2.00 3.54 -0.04 -1.26 -4.94 135.00 137.89 2woh n PRO 93 Ca -0.13 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 63.83 2woh n PRO 93 Cb 0.50 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 2woh n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2woh s HIS 94 N 1.69 3.00 -0.58 0.54 2.46 -1.26 -4.89 115.29 116.25 2woh s HIS 94 Ca 0.79 1.02 0.19 0.00 0.47 0.00 0.00 55.06 57.53 2woh s HIS 94 Cb -0.57 -3.83 0.85 0.00 -0.13 0.00 0.00 32.58 28.90 2woh s HIS 94 CO 0.37 -2.71 1.58 -0.35 -2.47 0.00 0.00 174.74 171.15 2woh n PRO 95 N 2.30 0.12 0.00 2.88 -0.04 -1.26 -1.73 135.00 137.27 2woh n PRO 95 Ca 0.07 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 2woh n PRO 95 Cb 0.40 -1.78 0.26 0.00 -0.04 0.00 0.00 33.50 32.34 2woh n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2woh n LEU 96 N -2.02 1.93 -4.70 1.53 4.77 -1.26 -4.80 117.00 112.45 2woh n LEU 96 Ca 0.01 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.93 2woh n LEU 96 Cb 0.15 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2woh n LEU 96 CO 0.14 0.33 0.91 0.59 -1.33 0.00 0.00 177.39 178.03 2woh n ASN 97 N 0.29 2.76 -4.66 -1.43 3.02 -0.71 -4.95 115.26 109.58 2woh n ASN 97 Ca 0.14 1.19 -0.30 0.00 -0.03 0.00 0.00 54.58 55.59 2woh n ASN 97 Cb 0.45 -1.49 0.17 0.00 -0.61 0.00 0.00 39.78 38.29 2woh n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2woh s ALA 98 N -1.11 1.05 0.20 5.41 0.00 -1.26 -4.92 121.76 121.13 2woh s ALA 98 Ca 0.56 0.04 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 2woh s ALA 98 Cb -0.55 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.19 2woh s ALA 98 CO 0.62 -2.78 1.71 1.28 0.00 0.00 0.00 175.76 176.58 2woh n LEU 99 N -4.20 3.87 -4.75 0.00 4.77 -1.26 -4.99 117.00 110.45 2woh n LEU 99 Ca 0.07 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 2woh n LEU 99 Cb 0.54 -1.55 0.18 0.00 -2.33 0.00 0.00 43.42 40.26 2woh n LEU 99 CO 0.55 0.12 0.72 0.42 -1.33 0.00 0.00 177.39 177.86 2woh s THR 100 N 1.20 1.88 0.31 -5.08 -4.23 -1.26 -4.77 115.64 103.69 2woh s THR 100 Ca 0.76 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.27 2woh s THR 100 Cb -0.53 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 70.81 2woh s THR 100 CO 0.33 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.32 2woh h ALA 101 N -1.90 1.35 -0.38 3.99 0.00 -1.94 -0.05 119.26 120.34 2woh h ALA 101 Ca -0.48 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 2woh h ALA 101 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2woh h ALA 101 CO 0.48 0.50 -0.12 -0.44 0.00 0.00 0.00 179.25 179.67 2woh h ASP 102 N 0.86 0.76 -0.59 0.00 3.32 -1.99 -1.45 116.42 117.33 2woh h ASP 102 Ca 0.21 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 2woh h ASP 102 Cb 0.11 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2woh h ASP 102 CO -0.03 0.97 0.05 -0.33 -1.72 0.00 0.00 179.24 178.17 2woh h GLU 103 N 0.55 1.03 0.29 3.56 5.08 -1.82 -0.84 114.58 122.42 2woh h GLU 103 Ca 0.09 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2woh h GLU 103 Cb 0.65 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2woh h GLU 103 CO 0.04 0.98 -0.14 0.82 -1.00 0.00 0.00 179.01 179.72 2woh h ILE 104 N 0.95 0.72 0.00 3.13 2.04 -0.89 -0.96 117.51 122.51 2woh h ILE 104 Ca 0.18 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2woh h ILE 104 Cb 0.49 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2woh h ILE 104 CO 0.02 0.01 -0.06 0.11 0.00 0.00 0.00 178.15 178.23 2woh h LYS 105 N -0.40 0.00 0.15 2.37 1.57 -1.08 -2.26 116.57 116.92 2woh h LYS 105 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2woh h LYS 105 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2woh h LYS 105 CO 0.06 0.06 -0.07 0.37 -0.57 0.00 0.00 179.45 179.30 2woh h GLN 106 N 0.00 -0.20 -0.82 3.15 4.15 -0.83 -2.39 115.11 118.17 2woh h GLN 106 Ca -0.00 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.63 2woh h GLN 106 Cb 0.10 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 2woh h GLN 106 CO 0.01 0.24 0.56 0.00 -1.93 0.00 0.00 178.83 177.71 2woh h ALA 107 N -0.20 2.36 -0.08 3.38 0.00 -0.88 -0.26 119.26 123.58 2woh h ALA 107 Ca -0.02 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2woh h ALA 107 Cb 0.53 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2woh h ALA 107 CO 0.03 -0.60 -0.85 0.28 0.00 0.00 0.00 179.25 178.11 2woh h VAL 108 N 0.27 1.33 -0.18 0.00 2.07 -1.38 -3.00 116.25 115.36 2woh h VAL 108 Ca 0.41 -2.16 -0.13 0.00 0.82 0.00 0.00 66.70 65.64 2woh h VAL 108 Cb 1.19 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2woh h VAL 108 CO -0.11 0.66 -0.46 -0.08 0.02 0.00 0.00 177.57 177.60 2woh h GLU 109 N 0.39 0.45 -0.78 1.57 4.57 -0.55 -1.88 114.58 118.33 2woh h GLU 109 Ca -0.07 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2woh h GLU 109 Cb 1.47 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.03 2woh h GLU 109 CO 0.16 0.82 0.49 0.82 -1.18 0.00 0.00 179.01 180.12 2woh h ILE 110 N 0.36 1.22 0.01 2.32 2.04 -1.25 -1.54 117.51 120.67 2woh h ILE 110 Ca 0.02 -0.45 -0.20 0.00 1.00 0.00 0.00 64.86 65.23 2woh h ILE 110 Cb 0.95 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2woh h ILE 110 CO 0.08 0.22 -0.94 -0.37 0.00 0.00 0.00 178.15 177.14 2woh h VAL 111 N 1.07 1.63 0.00 1.67 -1.51 -1.47 -2.97 116.25 114.67 2woh h VAL 111 Ca 0.28 -3.09 0.00 0.00 -1.23 0.00 0.00 66.70 62.67 2woh h VAL 111 Cb -0.06 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2woh h VAL 111 CO -0.06 0.89 0.00 0.29 -1.23 0.00 0.00 177.57 177.46 2woh n LYS 112 N -3.48 0.13 0.00 5.19 5.02 -0.71 -1.96 118.16 122.35 2woh n LYS 112 Ca -0.01 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 2woh n LYS 112 Cb 0.88 -1.74 0.42 0.00 -0.02 0.00 0.00 35.03 34.57 2woh n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2woh n ALA 113 N -1.68 2.98 -1.90 7.82 0.00 -0.61 -4.88 120.51 122.24 2woh n ALA 113 Ca 0.03 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2woh n ALA 113 Cb 0.23 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2woh n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2woh s SER 114 N -2.44 6.51 0.22 0.00 0.15 -0.83 -4.97 113.70 112.33 2woh s SER 114 Ca 0.26 1.46 -0.08 0.00 0.70 0.00 0.00 55.95 58.30 2woh s SER 114 Cb 0.20 -2.47 0.31 0.00 -1.71 0.00 0.00 66.02 62.34 2woh s SER 114 CO 0.49 -0.63 1.76 0.00 1.20 0.00 0.00 173.24 176.06 2woh h ALA 115 N 0.64 0.88 -0.06 5.45 0.00 -1.91 -3.17 119.26 121.09 2woh h ALA 115 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2woh h ALA 115 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2woh h ALA 115 CO 0.62 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.48 2woh n ASP 116 N -4.94 1.78 -4.77 0.00 8.00 -1.26 -4.92 116.55 110.43 2woh n ASP 116 Ca 0.10 -1.62 -0.36 0.00 0.71 0.00 0.00 54.79 53.62 2woh n ASP 116 Cb 0.28 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 2woh n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2woh s PHE 117 N -1.94 2.84 0.04 1.24 5.36 -1.20 -5.05 117.98 119.27 2woh s PHE 117 Ca 0.36 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 57.89 2woh s PHE 117 Cb 0.20 -3.31 -0.02 0.00 -0.34 0.00 0.00 43.02 39.54 2woh s PHE 117 CO 0.31 -1.43 -0.06 0.15 -1.46 0.00 0.00 175.22 172.73 2woh s LYS 118 N -2.92 0.47 0.56 10.12 -0.14 -1.26 -5.04 119.74 121.53 2woh s LYS 118 Ca 0.67 -0.74 0.24 0.00 -1.36 0.00 0.00 55.97 54.77 2woh s LYS 118 Cb -0.26 -0.14 1.55 0.00 -1.68 0.00 0.00 37.83 37.30 2woh s LYS 118 CO 0.31 0.01 2.16 -1.00 -0.76 0.00 0.00 175.35 176.06 2woh h PRO 119 N 4.45 0.00 0.00 -1.68 0.13 -2.02 -0.36 132.00 132.53 2woh h PRO 119 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2woh h PRO 119 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2woh h PRO 119 CO 0.42 0.00 -0.26 0.27 -0.23 0.00 0.00 178.00 178.21 2woh n ASN 120 N -4.14 0.77 -4.68 1.44 6.94 -1.26 -4.92 115.26 109.41 2woh n ASN 120 Ca -0.01 0.39 -0.45 0.00 -0.02 0.00 0.00 54.58 54.49 2woh n ASN 120 Cb 0.19 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 37.17 2woh n ASN 120 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2woh n THR 121 N -2.20 0.05 -4.27 5.53 -1.04 -0.15 -4.68 114.28 107.53 2woh n THR 121 Ca 0.05 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.80 2woh n THR 121 Cb 0.43 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.17 2woh n THR 121 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2woh s ARG 122 N 1.24 2.15 -0.26 -2.82 0.52 -0.70 -4.92 118.95 114.16 2woh s ARG 122 Ca 0.79 -1.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 2woh s ARG 122 Cb -0.63 -1.93 0.05 0.00 0.52 0.00 0.00 34.95 32.96 2woh s ARG 122 CO 0.37 -0.00 -0.09 -0.06 0.02 0.00 0.00 175.30 175.53 2woh s PHE 123 N -2.57 3.19 0.07 -0.53 0.08 0.20 0.16 117.98 118.58 2woh s PHE 123 Ca 0.38 -2.08 -0.12 0.00 0.12 0.00 0.00 56.93 55.23 2woh s PHE 123 Cb 0.03 -1.98 -0.25 0.00 -0.57 0.00 0.00 43.02 40.25 2woh s PHE 123 CO 0.21 -0.84 1.14 1.79 -0.10 0.00 0.00 175.22 177.42 2woh h THR 124 N 6.55 1.33 -2.62 0.64 1.35 -1.28 -3.37 112.91 115.51 2woh h THR 124 Ca -0.24 -2.52 -0.11 0.00 -0.55 0.00 0.00 66.41 62.99 2woh h THR 124 Cb 1.06 2.67 -0.26 0.00 -1.73 0.00 0.00 68.15 69.89 2woh h THR 124 CO 0.51 0.76 -0.27 -0.70 -0.25 0.00 0.00 175.52 175.57 2woh s GLU 125 N -3.00 0.42 -0.33 4.72 2.12 -1.18 -4.95 118.70 116.49 2woh s GLU 125 Ca -0.08 0.78 0.01 0.00 0.36 0.00 0.00 54.97 56.04 2woh s GLU 125 Cb 0.06 0.02 0.10 0.00 0.26 0.00 0.00 34.13 34.57 2woh s GLU 125 CO 0.92 -0.14 0.09 0.42 -0.54 0.00 0.00 175.26 176.00 2woh s ILE 126 N 1.25 1.46 0.03 -3.70 1.01 -1.26 -0.65 121.20 119.34 2woh s ILE 126 Ca -0.08 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 58.74 2woh s ILE 126 Cb -0.07 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2woh s ILE 126 CO -0.11 -0.66 -0.06 -0.44 0.00 0.00 0.00 174.94 173.67 2woh s SER 127 N 1.26 0.59 0.05 3.58 0.01 -0.57 -4.66 113.70 113.96 2woh s SER 127 Ca 0.11 -0.55 -0.36 0.00 1.31 0.00 0.00 55.95 56.46 2woh s SER 127 Cb -0.18 0.07 -0.15 0.00 0.21 0.00 0.00 66.02 65.97 2woh s SER 127 CO -0.17 -0.26 1.57 -0.11 0.41 0.00 0.00 173.24 174.68 2woh n LEU 128 N 1.45 2.61 -4.62 2.44 7.94 -1.26 -0.13 117.00 125.43 2woh n LEU 128 Ca -0.23 1.08 -0.43 0.00 -1.11 0.00 0.00 56.01 55.32 2woh n LEU 128 Cb 0.55 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.17 2woh n LEU 128 CO 0.21 -0.51 1.22 -0.22 -1.11 0.00 0.00 177.39 176.99 2woh s LEU 129 N 1.60 3.82 0.23 -1.96 1.98 -0.50 -4.66 118.68 119.19 2woh s LEU 129 Ca 0.85 1.25 -0.31 0.00 -2.89 0.00 0.00 54.13 53.04 2woh s LEU 129 Cb -0.81 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 42.40 2woh s LEU 129 CO 0.46 -1.20 1.53 -2.16 -1.89 0.00 0.00 176.35 173.09 2woh s PRO 130 N 4.47 4.21 1.12 0.98 0.04 -1.26 -4.48 135.00 140.08 2woh s PRO 130 Ca 0.62 2.39 -0.13 0.00 0.04 0.00 0.00 61.00 63.92 2woh s PRO 130 Cb -0.18 -3.11 0.26 0.00 0.04 0.00 0.00 34.50 31.51 2woh s PRO 130 CO 0.27 -0.54 1.05 -2.14 0.04 0.00 0.00 177.00 175.67 2woh s PRO 131 N 0.20 -0.57 0.26 0.56 0.02 -1.26 -4.95 135.00 129.26 2woh s PRO 131 Ca 0.65 0.83 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 2woh s PRO 131 Cb -0.44 -1.59 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 2woh s PRO 131 CO 0.39 -3.49 0.98 0.16 -0.33 0.00 0.00 177.00 174.71 2woh s ASP 132 N -2.69 7.53 0.32 2.53 -4.77 -1.26 -4.90 116.67 113.42 2woh s ASP 132 Ca 0.68 2.02 0.07 0.00 -3.30 0.00 0.00 52.55 52.02 2woh s ASP 132 Cb -0.24 -2.61 0.91 0.00 -1.09 0.00 0.00 42.92 39.89 2woh s ASP 132 CO 0.63 0.07 1.60 0.50 0.70 0.00 0.00 175.17 178.67 2woh h LYS 133 N 3.99 0.09 -0.39 2.11 3.64 -1.99 -1.42 116.57 122.59 2woh h LYS 133 Ca -0.46 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 2woh h LYS 133 Cb 1.20 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2woh h LYS 133 CO 0.67 0.06 -0.06 1.49 -2.27 0.00 0.00 179.45 179.34 2woh h GLU 134 N 0.10 0.73 -0.27 1.90 4.81 -1.99 -0.06 114.58 119.80 2woh h GLU 134 Ca 0.65 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2woh h GLU 134 Cb 1.47 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 2woh h GLU 134 CO -0.78 0.86 0.07 0.00 -0.73 0.00 0.00 179.01 178.43 2woh h ALA 135 N 0.85 0.35 0.05 2.92 0.00 -1.67 -1.57 119.26 120.19 2woh h ALA 135 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2woh h ALA 135 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2woh h ALA 135 CO 0.03 0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.51 2woh h VAL 136 N 0.26 0.87 -0.26 0.00 2.07 -1.16 -1.25 116.25 116.78 2woh h VAL 136 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 2woh h VAL 136 Cb 0.27 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2woh h VAL 136 CO 0.00 0.00 -0.05 -0.50 0.02 0.00 0.00 177.57 177.04 2woh h TRP 137 N -0.13 -0.11 -0.56 1.57 -0.00 -1.00 -0.74 115.95 114.99 2woh h TRP 137 Ca 0.01 0.02 0.13 0.00 -0.00 0.00 0.00 58.89 59.05 2woh h TRP 137 Cb 0.13 0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 2woh h TRP 137 CO -0.10 -0.10 0.39 0.00 -0.00 0.00 0.00 178.44 178.63 2woh h ALA 138 N 1.25 2.30 -0.04 1.49 0.00 -0.96 0.23 119.26 123.52 2woh h ALA 138 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2woh h ALA 138 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2woh h ALA 138 CO -0.25 -0.45 -0.04 0.35 0.00 0.00 0.00 179.25 178.86 2woh h PHE 139 N 0.16 0.12 -0.43 0.00 3.04 0.04 0.27 116.94 120.14 2woh h PHE 139 Ca 0.26 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 2woh h PHE 139 Cb 0.83 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 2woh h PHE 139 CO -0.00 0.55 0.18 0.00 -2.02 0.00 0.00 178.31 177.03 2woh h ALA 140 N 0.55 0.56 0.04 2.41 0.00 -0.09 -1.62 119.26 121.11 2woh h ALA 140 Ca 0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 2woh h ALA 140 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2woh h ALA 140 CO 0.01 0.15 -1.34 -0.07 0.00 0.00 0.00 179.25 178.01 2woh h LEU 141 N 0.56 0.12 0.00 0.00 3.38 -0.70 -3.41 115.31 115.26 2woh h LEU 141 Ca 0.15 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2woh h LEU 141 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2woh h LEU 141 CO -0.01 1.54 -1.06 -0.62 0.09 0.00 0.00 178.44 178.38 2woh n GLU 142 N -4.22 1.55 -1.12 1.13 1.02 0.27 -5.00 120.64 114.27 2woh n GLU 142 Ca -0.30 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 2woh n GLU 142 Cb 0.76 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 2woh n GLU 142 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2woh n ASN 143 N -1.60 -2.57 -4.67 1.62 5.15 0.69 -4.96 115.26 108.93 2woh n ASN 143 Ca 0.01 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.56 2woh n ASN 143 Cb 0.29 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.03 2woh n ASN 143 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2woh s LYS 144 N -2.25 4.30 0.22 1.20 2.36 -1.01 -4.89 119.74 119.67 2woh s LYS 144 Ca 0.00 1.33 -0.32 0.00 -2.55 0.00 0.00 55.97 54.44 2woh s LYS 144 Cb 0.00 -3.61 -0.14 0.00 -1.05 0.00 0.00 37.83 33.03 2woh s LYS 144 CO 0.00 -0.52 1.38 -2.30 1.55 0.00 0.00 175.35 175.46 2woh n PRO 145 N 5.88 1.88 -2.43 4.03 -0.02 -1.26 -3.88 135.00 139.20 2woh n PRO 145 Ca 0.10 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 2woh n PRO 145 Cb 0.47 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 2woh n PRO 145 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2woh s VAL 146 N -0.01 4.03 -2.19 -1.45 1.01 -1.26 -4.87 120.40 115.65 2woh s VAL 146 Ca 0.70 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.93 2woh s VAL 146 Cb -0.69 -4.31 0.43 0.00 0.00 0.00 0.00 36.38 31.80 2woh s VAL 146 CO 0.49 -0.78 1.43 -0.90 0.00 0.00 0.00 175.10 175.34 2woh n ASP 147 N 8.35 2.28 -4.82 3.32 5.68 -1.26 -4.84 116.55 125.25 2woh n ASP 147 Ca 0.15 -1.88 -0.36 0.00 -0.50 0.00 0.00 54.79 52.20 2woh n ASP 147 Cb 0.48 -0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 40.19 2woh n ASP 147 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2woh s GLN 148 N -1.57 4.21 0.14 0.11 0.74 -1.26 -5.05 119.66 116.97 2woh s GLN 148 Ca 0.32 0.83 -0.25 0.00 0.05 0.00 0.00 55.36 56.32 2woh s GLN 148 Cb 0.18 -2.81 -0.07 0.00 1.10 0.00 0.00 33.01 31.40 2woh s GLN 148 CO 0.25 0.36 0.75 -2.14 -0.55 0.00 0.00 175.29 173.96 2woh s PRO 149 N -2.13 4.52 -0.17 1.67 0.02 -1.26 -5.00 135.00 132.65 2woh s PRO 149 Ca 0.45 1.10 -0.37 0.00 0.02 0.00 0.00 61.00 62.20 2woh s PRO 149 Cb -0.16 -3.28 -0.13 0.00 0.02 0.00 0.00 34.50 30.96 2woh s PRO 149 CO 0.20 0.53 1.83 0.54 -0.33 0.00 0.00 177.00 179.78 2woh n ARG 150 N 1.80 1.78 -4.51 5.54 5.12 -1.26 -4.89 116.66 120.23 2woh n ARG 150 Ca -0.06 0.65 -0.25 0.00 -1.93 0.00 0.00 57.85 56.27 2woh n ARG 150 Cb 0.49 -2.44 -0.10 0.00 -1.16 0.00 0.00 32.46 29.25 2woh n ARG 150 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2woh s LYS 151 N 3.91 1.75 -0.05 5.56 1.02 -1.26 -0.45 119.74 130.22 2woh s LYS 151 Ca 0.95 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2woh s LYS 151 Cb -0.84 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2woh s LYS 151 CO 0.57 0.21 -0.03 0.00 -0.92 0.00 0.00 175.35 175.18 2woh s ALA 152 N -2.59 0.70 -0.13 5.17 0.00 -0.49 -1.41 121.76 123.02 2woh s ALA 152 Ca 0.31 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2woh s ALA 152 Cb -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2woh s ALA 152 CO 0.16 -0.16 1.27 -0.51 0.00 0.00 0.00 175.76 176.52 2woh s ASP 153 N 1.26 6.95 -0.31 0.00 1.01 0.81 -2.14 116.67 124.25 2woh s ASP 153 Ca -0.06 1.76 -0.00 0.00 0.71 0.00 0.00 52.55 54.96 2woh s ASP 153 Cb -0.14 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.31 2woh s ASP 153 CO -0.02 -0.73 0.01 -0.69 0.21 0.00 0.00 175.17 173.95 2woh s VAL 154 N 3.20 2.81 -0.35 -1.27 1.01 0.72 -1.51 120.40 125.00 2woh s VAL 154 Ca 0.56 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 2woh s VAL 154 Cb -0.23 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2woh s VAL 154 CO 0.17 -0.20 0.28 -0.63 0.00 0.00 0.00 175.10 174.73 2woh s ILE 155 N 1.18 5.25 0.24 2.22 1.01 0.18 -0.65 121.20 130.62 2woh s ILE 155 Ca -0.03 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2woh s ILE 155 Cb -0.20 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2woh s ILE 155 CO -0.03 -0.09 0.18 -0.04 0.00 0.00 0.00 174.94 174.96 2woh s MET 156 N 1.80 2.91 -0.31 2.79 -1.94 -0.09 -0.87 119.30 123.59 2woh s MET 156 Ca 0.07 -1.03 0.02 0.00 -1.71 0.00 0.00 55.69 53.05 2woh s MET 156 Cb -0.17 -2.57 0.09 0.00 2.01 0.00 0.00 34.83 34.19 2woh s MET 156 CO 0.11 0.42 0.03 -1.17 -0.01 0.00 0.00 175.02 174.39 2woh s LEU 157 N -3.70 3.79 -0.80 -0.03 2.96 0.12 -1.84 118.68 119.18 2woh s LEU 157 Ca 0.32 -1.83 -0.19 0.00 -0.22 0.00 0.00 54.13 52.22 2woh s LEU 157 Cb -0.08 -1.40 0.12 0.00 0.50 0.00 0.00 46.19 45.33 2woh s LEU 157 CO 0.24 -0.34 0.98 -0.62 -1.32 0.00 0.00 176.35 175.29 2woh s ASP 158 N 1.14 6.47 0.00 3.68 2.15 0.84 -1.73 116.67 129.22 2woh s ASP 158 Ca 0.06 -1.79 0.00 0.00 0.43 0.00 0.00 52.55 51.25 2woh s ASP 158 Cb -0.19 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2woh s ASP 158 CO -0.11 -1.10 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 2woh n GLY 159 N 5.26 0.99 0.00 2.66 0.00 -1.26 -1.49 105.19 111.35 2woh n GLY 159 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2woh n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2woh n LYS 160 N 0.00 1.18 -3.49 1.61 2.85 -1.26 -4.97 118.16 114.07 2woh n LYS 160 Ca 0.00 -0.20 -0.38 0.00 -1.05 0.00 0.00 58.31 56.69 2woh n LYS 160 Cb 0.00 -0.63 -0.06 0.00 -0.65 0.00 0.00 35.03 33.69 2woh n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2woh s HIS 161 N -0.22 3.72 -0.02 5.58 3.76 -0.56 -4.44 115.29 123.10 2woh s HIS 161 Ca 0.00 0.99 -0.15 0.00 -0.15 0.00 0.00 55.06 55.75 2woh s HIS 161 Cb 0.00 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.35 2woh s HIS 161 CO 0.00 0.63 0.42 0.42 -0.85 0.00 0.00 174.74 175.35 2woh s ILE 162 N -1.12 5.06 -0.04 0.60 -1.09 -1.26 -0.11 121.20 123.23 2woh s ILE 162 Ca 0.25 0.85 0.03 0.00 -2.23 0.00 0.00 60.65 59.55 2woh s ILE 162 Cb -0.17 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2woh s ILE 162 CO 0.14 0.53 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.65 2woh s ILE 163 N -0.73 0.94 -0.42 2.92 1.01 -0.77 -1.37 121.20 122.77 2woh s ILE 163 Ca 0.24 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2woh s ILE 163 Cb -0.16 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.53 2woh s ILE 163 CO 0.13 0.29 0.28 -1.61 0.00 0.00 0.00 174.94 174.03 2woh s GLU 164 N 0.33 2.76 0.04 2.79 2.02 0.48 -0.91 118.70 126.21 2woh s GLU 164 Ca -0.06 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 53.60 2woh s GLU 164 Cb -0.11 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2woh s GLU 164 CO 0.01 -0.91 0.09 0.00 0.02 0.00 0.00 175.26 174.47 2woh s ALA 165 N 1.52 3.59 -0.07 5.21 0.00 0.17 -1.25 121.76 130.94 2woh s ALA 165 Ca 0.03 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2woh s ALA 165 Cb -0.22 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2woh s ALA 165 CO 0.04 0.73 -0.24 0.08 0.00 0.00 0.00 175.76 176.37 2woh s VAL 166 N -1.30 1.97 -0.03 0.00 1.01 -0.65 -0.20 120.40 121.20 2woh s VAL 166 Ca 0.26 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2woh s VAL 166 Cb -0.12 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2woh s VAL 166 CO 0.18 0.55 -0.24 0.68 0.00 0.00 0.00 175.10 176.27 2woh s VAL 167 N 0.03 2.24 -0.39 2.92 -7.23 -0.91 0.48 120.40 117.54 2woh s VAL 167 Ca -0.08 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.87 2woh s VAL 167 Cb -0.15 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.00 2woh s VAL 167 CO 0.05 0.58 0.51 -0.62 -0.31 0.00 0.00 175.10 175.31 2woh s ASP 168 N -0.55 6.27 0.07 4.85 -1.08 0.28 -1.39 116.67 125.12 2woh s ASP 168 Ca 0.08 -0.28 -0.03 0.00 -0.52 0.00 0.00 52.55 51.80 2woh s ASP 168 Cb -0.11 -2.26 -0.28 0.00 -1.46 0.00 0.00 42.92 38.82 2woh s ASP 168 CO 0.00 -0.56 1.13 -0.07 0.52 0.00 0.00 175.17 176.19 2woh h LEU 169 N 9.18 0.37 -0.62 -1.34 3.38 -1.04 0.26 115.31 125.51 2woh h LEU 169 Ca -0.27 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 2woh h LEU 169 Cb 1.12 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2woh h LEU 169 CO 0.80 1.32 0.36 -0.61 0.09 0.00 0.00 178.44 180.40 2woh h GLN 170 N 0.07 0.86 -0.45 1.13 4.15 -1.90 -3.13 115.11 115.83 2woh h GLN 170 Ca -0.13 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2woh h GLN 170 Cb 1.95 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.47 2woh h GLN 170 CO 0.19 0.63 0.00 0.09 -1.93 0.00 0.00 178.83 177.81 2woh n ASN 171 N -4.58 3.27 -3.90 -0.69 3.02 -1.22 -4.99 115.26 106.18 2woh n ASN 171 Ca 0.04 -1.95 -0.31 0.00 -0.03 0.00 0.00 54.58 52.33 2woh n ASN 171 Cb 0.07 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 2woh n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2woh n ASN 172 N 1.07 -4.15 -4.23 6.41 5.15 0.83 -4.97 115.26 115.37 2woh n ASN 172 Ca 0.17 -0.77 -0.21 0.00 -0.60 0.00 0.00 54.58 53.17 2woh n ASN 172 Cb 0.51 -3.36 -0.12 0.00 -0.53 0.00 0.00 39.78 36.28 2woh n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2woh s LYS 173 N -6.60 0.96 -0.00 1.20 -2.85 -0.62 -4.95 119.74 106.88 2woh s LYS 173 Ca 0.64 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 2woh s LYS 173 Cb -0.33 -1.08 -0.05 0.00 -2.06 0.00 0.00 37.83 34.31 2woh s LYS 173 CO 0.79 0.25 1.24 -1.17 0.10 0.00 0.00 175.35 176.55 2woh s LEU 174 N -1.84 4.32 -0.16 2.77 2.96 -1.26 0.10 118.68 125.57 2woh s LEU 174 Ca 0.02 1.94 0.09 0.00 -0.22 0.00 0.00 54.13 55.96 2woh s LEU 174 Cb -0.10 -3.57 -0.23 0.00 0.50 0.00 0.00 46.19 42.80 2woh s LEU 174 CO 0.03 -0.57 0.19 0.18 -1.32 0.00 0.00 176.35 174.87 2woh n LEU 175 N 4.75 1.37 -3.48 -0.68 4.77 0.18 -4.88 117.00 119.02 2woh n LEU 175 Ca 0.11 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 2woh n LEU 175 Cb 0.46 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2woh n LEU 175 CO 0.56 0.64 0.47 -0.94 -1.33 0.00 0.00 177.39 176.78 2woh s SER 176 N -6.14 -0.50 -0.35 -1.43 1.04 -1.10 -4.94 113.70 100.27 2woh s SER 176 Ca -0.17 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.24 2woh s SER 176 Cb 0.07 0.57 0.16 0.00 0.10 0.00 0.00 66.02 66.92 2woh s SER 176 CO 0.76 -0.93 0.43 0.86 0.98 0.00 0.00 173.24 175.34 2woh s TRP 177 N -3.64 -0.79 -0.30 5.02 -0.11 -1.26 -1.63 118.94 116.24 2woh s TRP 177 Ca 0.03 -0.23 0.02 0.00 1.22 0.00 0.00 56.10 57.14 2woh s TRP 177 Cb -0.01 -0.21 0.07 0.00 -1.50 0.00 0.00 33.47 31.82 2woh s TRP 177 CO -0.10 -1.01 -0.02 -0.65 -4.62 0.00 0.00 176.95 170.55 2woh s GLN 178 N 1.92 2.07 0.34 5.86 -1.52 -0.38 -4.94 119.66 123.01 2woh s GLN 178 Ca 0.14 -1.50 -0.29 0.00 -1.95 0.00 0.00 55.36 51.76 2woh s GLN 178 Cb -0.12 -3.09 -0.11 0.00 -0.22 0.00 0.00 33.01 29.47 2woh s GLN 178 CO -0.14 -0.71 1.43 -2.14 -0.25 0.00 0.00 175.29 173.47 2woh s PRO 179 N 1.08 4.21 -0.27 2.91 0.02 -1.26 -0.38 135.00 141.30 2woh s PRO 179 Ca -0.02 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 63.42 2woh s PRO 179 Cb -0.20 -3.02 0.04 0.00 0.02 0.00 0.00 34.50 31.35 2woh s PRO 179 CO -0.05 -0.41 -0.05 0.42 -0.33 0.00 0.00 177.00 176.58 2woh s ILE 180 N -0.94 2.73 0.35 2.83 -1.09 -0.47 -4.92 121.20 119.69 2woh s ILE 180 Ca 0.53 -1.34 -0.27 0.00 -2.23 0.00 0.00 60.65 57.34 2woh s ILE 180 Cb -0.44 -2.51 -0.09 0.00 -1.58 0.00 0.00 42.46 37.83 2woh s ILE 180 CO 0.57 0.01 1.18 -1.59 -1.23 0.00 0.00 174.94 173.88 2woh s LYS 181 N 1.24 4.29 0.00 2.79 0.00 -1.26 -3.62 119.74 123.18 2woh s LYS 181 Ca -0.04 1.90 0.00 0.00 0.00 0.00 0.00 55.97 57.83 2woh s LYS 181 Cb -0.19 -2.91 0.00 0.00 0.00 0.00 0.00 37.83 34.74 2woh s LYS 181 CO -0.03 -0.13 0.00 -0.25 0.00 0.00 0.00 175.35 174.94 2woh n ASP 182 N 0.55 0.00 -4.73 0.03 8.00 -1.26 -4.96 116.55 114.18 2woh n ASP 182 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 2woh n ASP 182 Cb 0.45 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2woh n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2woh s ALA 183 N -1.45 3.47 -0.07 2.24 0.00 -1.24 -4.98 121.76 119.73 2woh s ALA 183 Ca 0.00 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.90 2woh s ALA 183 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2woh s ALA 183 CO 0.00 -0.46 0.14 -1.01 0.00 0.00 0.00 175.76 174.43 2woh s HIS 184 N 0.41 3.53 0.64 0.00 3.76 -1.26 -4.34 115.29 118.02 2woh s HIS 184 Ca 0.57 0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 55.79 2woh s HIS 184 Cb -0.33 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 2woh s HIS 184 CO 0.34 0.68 1.04 0.20 -0.85 0.00 0.00 174.74 176.14 2woh s GLY 185 N -1.37 1.67 0.99 -2.22 0.00 -1.26 -4.53 107.32 100.60 2woh s GLY 185 Ca 0.19 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 2woh s GLY 185 CO 0.09 0.23 1.09 -3.16 0.00 0.00 0.00 173.10 171.35 2woh s MET 186 N -5.13 0.52 0.15 2.90 0.23 -1.26 -4.86 119.30 111.85 2woh s MET 186 Ca 0.56 0.67 -0.30 0.00 -1.03 0.00 0.00 55.69 55.58 2woh s MET 186 Cb -0.12 -1.74 -0.08 0.00 -1.53 0.00 0.00 34.83 31.37 2woh s MET 186 CO 0.54 -2.71 1.27 0.08 -2.03 0.00 0.00 175.02 172.17 2woh s VAL 187 N -2.89 3.51 0.41 5.16 1.01 0.44 -5.03 120.40 123.02 2woh s VAL 187 Ca 0.65 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.89 2woh s VAL 187 Cb -0.19 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2woh s VAL 187 CO 0.58 0.15 0.29 -0.76 0.00 0.00 0.00 175.10 175.36 2woh s LEU 188 N 0.31 3.28 0.14 3.92 1.43 -1.26 -4.63 118.68 121.87 2woh s LEU 188 Ca 0.57 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2woh s LEU 188 Cb -0.34 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2woh s LEU 188 CO 0.34 -0.59 1.67 0.25 0.23 0.00 0.00 176.35 178.25 2woh h LEU 189 N 1.21 0.62 -1.12 1.79 5.85 -1.97 -1.13 115.31 120.56 2woh h LEU 189 Ca -0.42 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2woh h LEU 189 Cb 1.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2woh h LEU 189 CO 0.63 0.64 0.00 -2.24 -0.34 0.00 0.00 178.44 177.13 2woh h ASP 190 N 0.56 0.00 -0.41 1.25 2.03 -2.00 -1.62 116.42 116.23 2woh h ASP 190 Ca 0.14 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.39 2woh h ASP 190 Cb 0.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2woh h ASP 190 CO -0.01 0.00 0.03 0.44 -1.03 0.00 0.00 179.24 178.68 2woh h ASP 191 N 0.00 0.68 -0.15 4.15 3.32 -1.60 0.27 116.42 123.08 2woh h ASP 191 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.80 2woh h ASP 191 Cb 0.21 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2woh h ASP 191 CO 0.00 0.80 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.99 2woh h PHE 192 N 0.54 -0.14 -0.51 4.55 -1.00 -1.32 -0.35 116.94 118.71 2woh h PHE 192 Ca 0.12 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 2woh h PHE 192 Cb 0.43 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 2woh h PHE 192 CO 0.03 -0.10 0.24 0.00 -1.61 0.00 0.00 178.31 176.87 2woh h ALA 193 N 1.10 0.66 -0.29 2.45 0.00 -1.51 -2.44 119.26 119.24 2woh h ALA 193 Ca 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2woh h ALA 193 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2woh h ALA 193 CO -0.18 0.24 0.16 1.03 0.00 0.00 0.00 179.25 180.49 2woh h SER 194 N 0.68 0.24 -0.56 0.00 0.87 -0.66 -1.92 113.55 112.22 2woh h SER 194 Ca 0.17 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2woh h SER 194 Cb 0.14 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2woh h SER 194 CO -0.02 0.18 0.35 0.58 -0.53 0.00 0.00 176.83 177.39 2woh h VAL 195 N 0.32 1.10 -0.36 2.23 2.07 -0.85 -1.07 116.25 119.69 2woh h VAL 195 Ca 0.12 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2woh h VAL 195 Cb 0.02 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2woh h VAL 195 CO -0.07 0.13 0.04 -0.61 0.02 0.00 0.00 177.57 177.08 2woh h GLN 196 N 0.71 0.55 -0.05 1.57 5.75 -1.23 -2.30 115.11 120.11 2woh h GLN 196 Ca 0.21 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2woh h GLN 196 Cb -0.03 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 2woh h GLN 196 CO -0.07 0.54 -0.06 -0.97 -2.65 0.00 0.00 178.83 175.62 2woh h ASN 197 N 0.53 0.13 -0.71 -0.69 -1.24 -0.75 -1.86 115.58 110.98 2woh h ASN 197 Ca 0.12 -0.52 0.06 0.00 0.71 0.00 0.00 56.30 56.67 2woh h ASN 197 Cb 0.28 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.24 2woh h ASN 197 CO 0.00 0.63 0.42 0.40 -1.29 0.00 0.00 177.43 177.59 2woh h ILE 198 N -0.36 1.00 -0.72 2.57 2.04 -1.09 -0.07 117.51 120.89 2woh h ILE 198 Ca 0.01 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 2woh h ILE 198 Cb 0.59 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2woh h ILE 198 CO 0.01 0.14 0.20 0.40 0.00 0.00 0.00 178.15 178.90 2woh h ILE 199 N 0.77 1.26 0.00 -0.67 5.03 -1.40 -2.22 117.51 120.28 2woh h ILE 199 Ca 0.32 -0.95 -0.03 0.00 -0.12 0.00 0.00 64.86 64.08 2woh h ILE 199 Cb 0.17 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 34.45 2woh h ILE 199 CO -0.17 0.37 -0.14 0.78 -0.68 0.00 0.00 178.15 178.31 2woh h ASN 200 N 1.09 0.00 -0.42 1.72 4.21 -0.37 -2.30 115.58 119.52 2woh h ASN 200 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 2woh h ASN 200 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2woh h ASN 200 CO -0.00 0.14 0.00 0.59 -1.29 0.00 0.00 177.43 176.87 2woh n ASN 201 N -3.37 3.28 -4.61 5.81 5.03 -0.15 -4.93 115.26 116.32 2woh n ASN 201 Ca -0.00 -1.97 -0.40 0.00 0.87 0.00 0.00 54.58 53.08 2woh n ASN 201 Cb 0.34 -0.27 -0.08 0.00 -1.02 0.00 0.00 39.78 38.75 2woh n ASN 201 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2woh s SER 202 N -1.41 6.37 0.05 6.41 0.15 -0.87 -4.95 113.70 119.45 2woh s SER 202 Ca 0.39 0.41 -0.18 0.00 0.70 0.00 0.00 55.95 57.27 2woh s SER 202 Cb 0.22 -2.26 -0.15 0.00 -1.71 0.00 0.00 66.02 62.13 2woh s SER 202 CO 0.31 -0.27 1.31 1.05 1.20 0.00 0.00 173.24 176.84 2woh h GLU 203 N 8.09 0.49 -0.28 5.44 9.09 -1.91 -2.74 114.58 132.76 2woh h GLU 203 Ca -0.30 -0.31 -0.01 0.00 0.05 0.00 0.00 59.36 58.79 2woh h GLU 203 Cb 1.15 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 2woh h GLU 203 CO 0.70 0.92 0.13 0.93 0.05 0.00 0.00 179.01 181.73 2woh h GLU 204 N 0.12 0.42 -0.83 1.06 5.08 -1.97 -2.65 114.58 115.81 2woh h GLU 204 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2woh h GLU 204 Cb 0.90 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2woh h GLU 204 CO 0.07 0.42 0.48 0.35 -1.00 0.00 0.00 179.01 179.33 2woh h PHE 205 N 0.32 1.11 -0.11 4.33 3.04 -1.90 0.64 116.94 124.36 2woh h PHE 205 Ca 0.10 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 2woh h PHE 205 Cb 0.15 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2woh h PHE 205 CO -0.01 0.75 -0.09 0.00 -2.02 0.00 0.00 178.31 176.94 2woh h ALA 206 N 1.26 1.64 -0.05 2.41 0.00 -1.38 0.75 119.26 123.89 2woh h ALA 206 Ca 0.29 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2woh h ALA 206 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2woh h ALA 206 CO -0.05 0.26 -0.18 0.00 0.00 0.00 0.00 179.25 179.28 2woh h ALA 207 N 1.75 0.09 -0.87 0.00 0.00 -0.84 -1.49 119.26 117.90 2woh h ALA 207 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2woh h ALA 207 Cb 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2woh h ALA 207 CO 0.01 0.04 0.56 0.00 0.00 0.00 0.00 179.25 179.86 2woh h ALA 208 N 0.42 1.18 -0.21 0.00 0.00 -0.56 -1.20 119.26 118.89 2woh h ALA 208 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2woh h ALA 208 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2woh h ALA 208 CO 0.04 0.35 -0.13 0.28 0.00 0.00 0.00 179.25 179.80 2woh h VAL 209 N 1.05 1.20 -0.17 0.00 2.07 -0.83 -3.03 116.25 116.54 2woh h VAL 209 Ca 0.37 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 2woh h VAL 209 Cb 0.09 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2woh h VAL 209 CO -0.15 0.28 -0.22 0.50 0.02 0.00 0.00 177.57 178.01 2woh h LYS 210 N 0.33 0.45 -0.98 1.57 3.64 -0.14 -2.59 116.57 118.84 2woh h LYS 210 Ca 0.06 -0.26 0.21 0.00 -1.27 0.00 0.00 60.65 59.40 2woh h LYS 210 Cb 0.43 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 2woh h LYS 210 CO 0.02 0.84 0.62 0.87 -2.27 0.00 0.00 179.45 179.53 2woh h LYS 211 N 0.09 0.58 -0.92 1.90 1.79 -1.24 -0.38 116.57 118.40 2woh h LYS 211 Ca 0.02 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 2woh h LYS 211 Cb 0.78 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.25 2woh h LYS 211 CO 0.05 0.38 0.12 0.54 -1.08 0.00 0.00 179.45 179.46 2woh n ARG 212 N -4.67 1.98 -0.78 3.15 1.74 -1.12 -4.84 116.66 112.13 2woh n ARG 212 Ca 0.23 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 2woh n ARG 212 Cb 0.67 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 2woh n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2woh n GLY 213 N 0.07 0.88 3.64 -0.13 0.00 -0.15 -4.62 105.19 104.88 2woh n GLY 213 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2woh n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2woh s ILE 214 N -3.53 4.53 -0.12 -0.61 1.09 -0.99 -4.91 121.20 116.67 2woh s ILE 214 Ca 0.00 1.78 0.16 0.00 -1.10 0.00 0.00 60.65 61.49 2woh s ILE 214 Cb 0.00 -4.40 -0.12 0.00 -1.06 0.00 0.00 42.46 36.88 2woh s ILE 214 CO 0.00 -0.43 0.90 0.71 -0.10 0.00 0.00 174.94 176.02 2woh h THR 215 N 5.69 0.59 -3.34 2.92 1.35 -1.89 -3.37 112.91 114.86 2woh h THR 215 Ca -0.20 -2.09 -0.57 0.00 -0.55 0.00 0.00 66.41 63.00 2woh h THR 215 Cb 1.06 2.12 -0.38 0.00 -1.73 0.00 0.00 68.15 69.22 2woh h THR 215 CO 1.03 0.34 -0.80 -0.62 -0.25 0.00 0.00 175.52 175.21 2woh s ASP 216 N -5.91 2.94 0.18 5.36 -1.08 -1.26 -5.02 116.67 111.89 2woh s ASP 216 Ca -0.02 -0.70 0.04 0.00 -0.52 0.00 0.00 52.55 51.34 2woh s ASP 216 Cb 0.09 -0.99 0.05 0.00 -1.46 0.00 0.00 42.92 40.61 2woh s ASP 216 CO 0.80 -0.17 1.42 0.00 0.52 0.00 0.00 175.17 177.74 2woh h ALA 217 N 8.09 0.60 0.00 3.66 0.00 -1.95 -2.79 119.26 126.87 2woh h ALA 217 Ca -0.25 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2woh h ALA 217 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2woh h ALA 217 CO 0.42 0.89 0.43 0.87 0.00 0.00 0.00 179.25 181.87 2woh h LYS 218 N 0.10 0.00 -0.34 0.00 6.56 -1.98 0.39 116.57 121.30 2woh h LYS 218 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2woh h LYS 218 Cb 1.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.08 2woh h LYS 218 CO 0.12 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.14 2woh n LYS 219 N -2.59 2.15 -2.95 3.15 5.02 -1.05 -4.87 118.16 117.02 2woh n LYS 219 Ca -0.01 -1.75 -0.42 0.00 -2.02 0.00 0.00 58.31 54.10 2woh n LYS 219 Cb 0.47 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 2woh n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2woh s VAL 220 N -1.56 4.71 -0.27 -0.18 1.01 0.14 -1.36 120.40 122.89 2woh s VAL 220 Ca 0.35 0.83 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2woh s VAL 220 Cb 0.20 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2woh s VAL 220 CO 0.28 -0.48 0.68 -0.63 0.00 0.00 0.00 175.10 174.95 2woh s ILE 221 N 3.15 4.93 0.55 2.22 1.09 -0.19 -4.93 121.20 128.02 2woh s ILE 221 Ca 0.31 1.15 0.01 0.00 -1.10 0.00 0.00 60.65 61.03 2woh s ILE 221 Cb -0.13 -4.00 0.03 0.00 -1.06 0.00 0.00 42.46 37.31 2woh s ILE 221 CO 0.18 -0.05 0.78 0.42 -0.10 0.00 0.00 174.94 176.16 2woh s THR 222 N 2.63 2.69 -0.24 2.92 -4.23 -1.26 -0.63 115.64 117.52 2woh s THR 222 Ca 0.28 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.97 2woh s THR 222 Cb -0.15 -3.01 0.07 0.00 1.34 0.00 0.00 72.50 70.74 2woh s THR 222 CO 0.09 -0.01 0.61 0.28 -0.54 0.00 0.00 174.62 175.06 2woh s THR 223 N -2.77 -0.00 -0.14 3.99 -1.32 -0.46 -4.94 115.64 110.01 2woh s THR 223 Ca 0.57 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.92 2woh s THR 223 Cb -0.10 -0.88 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 2woh s THR 223 CO 0.38 0.01 0.33 -2.16 -2.21 0.00 0.00 174.62 170.97 2woh s PRO 224 N 1.08 4.22 0.07 7.08 0.04 -1.26 -1.81 135.00 144.43 2woh s PRO 224 Ca -0.06 0.18 0.07 0.00 0.04 0.00 0.00 61.00 61.23 2woh s PRO 224 Cb -0.05 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2woh s PRO 224 CO -0.10 0.28 -0.18 -0.51 0.04 0.00 0.00 177.00 176.52 2woh s LEU 225 N 0.33 2.25 0.68 -3.56 1.43 -0.08 -4.99 118.68 114.73 2woh s LEU 225 Ca 0.19 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2woh s LEU 225 Cb -0.14 -0.77 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 2woh s LEU 225 CO 0.06 0.04 1.06 0.42 0.23 0.00 0.00 176.35 178.16 2woh s THR 226 N -1.06 4.08 -0.09 5.49 -4.23 -1.26 -1.00 115.64 117.57 2woh s THR 226 Ca 0.04 0.71 0.17 0.00 -1.18 0.00 0.00 61.69 61.42 2woh s THR 226 Cb -0.09 -3.45 -0.25 0.00 1.34 0.00 0.00 72.50 70.05 2woh s THR 226 CO 0.03 -0.85 0.24 1.33 -0.54 0.00 0.00 174.62 174.82 2woh n VAL 227 N -2.97 0.54 -0.98 2.29 0.24 -1.26 -4.71 118.33 111.48 2woh n VAL 227 Ca 0.07 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2woh n VAL 227 Cb 0.53 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 2woh n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2woh n GLY 228 N 1.70 0.56 3.61 7.63 0.00 -1.26 -4.84 105.19 112.60 2woh n GLY 228 Ca -0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 2woh n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2woh s TYR 229 N 0.00 -0.90 -0.02 1.61 5.04 -1.26 -4.17 117.35 117.64 2woh s TYR 229 Ca 0.00 1.72 0.23 0.00 -2.44 0.00 0.00 57.07 56.58 2woh s TYR 229 Cb 0.00 0.54 0.40 0.00 0.35 0.00 0.00 41.96 43.25 2woh s TYR 229 CO 0.00 -0.45 1.17 1.19 -1.34 0.00 0.00 175.55 176.12 2woh n PHE 230 N 4.39 0.00 -3.83 4.97 3.72 -1.26 -4.65 117.46 120.80 2woh n PHE 230 Ca -0.17 -0.59 -0.30 0.00 -0.05 0.00 0.00 57.45 56.35 2woh n PHE 230 Cb 0.56 -0.16 0.01 0.00 -0.94 0.00 0.00 39.48 38.96 2woh n PHE 230 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2woh n ASP 231 N 0.28 -4.41 0.00 4.37 2.03 -1.26 -0.71 116.55 116.85 2woh n ASP 231 Ca 0.07 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2woh n ASP 231 Cb 1.07 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.92 2woh n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2woh n GLY 232 N -1.53 2.27 0.32 0.27 0.00 -1.26 -4.88 105.19 100.38 2woh n GLY 232 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 2woh n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2woh h LYS 233 N 2.44 0.00 -0.00 1.61 1.57 -1.30 0.32 116.57 121.21 2woh h LYS 233 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2woh h LYS 233 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2woh h LYS 233 CO 0.00 0.00 -0.18 -0.40 -0.57 0.00 0.00 179.45 178.30 2woh n ASP 234 N -3.83 0.20 0.00 0.86 5.68 -1.26 -4.92 116.55 113.28 2woh n ASP 234 Ca -0.01 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2woh n ASP 234 Cb 0.21 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2woh n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2woh n GLY 235 N 1.49 0.45 3.20 6.12 0.00 0.11 -5.04 105.19 111.52 2woh n GLY 235 Ca 0.07 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2woh n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2woh s LEU 236 N 0.00 2.70 0.13 0.99 1.43 -1.26 -5.08 118.68 117.59 2woh s LEU 236 Ca 0.00 -0.64 -0.33 0.00 -1.03 0.00 0.00 54.13 52.13 2woh s LEU 236 Cb 0.00 -1.62 -0.13 0.00 0.03 0.00 0.00 46.19 44.47 2woh s LEU 236 CO 0.00 -0.05 1.67 1.17 0.23 0.00 0.00 176.35 179.38 2woh n LYS 237 N 4.69 2.31 0.30 1.70 4.81 -1.26 -4.66 118.16 126.05 2woh n LYS 237 Ca -0.19 0.84 0.16 0.00 -0.87 0.00 0.00 58.31 58.25 2woh n LYS 237 Cb 0.49 -2.64 0.92 0.00 0.02 0.00 0.00 35.03 33.82 2woh n LYS 237 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2woh h GLN 238 N 6.81 0.00 -0.00 1.64 5.75 -2.00 -3.22 115.11 124.08 2woh h GLN 238 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2woh h GLN 238 Cb 1.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 2woh h GLN 238 CO 0.91 0.03 -0.64 -0.40 -2.65 0.00 0.00 178.83 176.08 2woh n ASP 239 N -3.65 1.06 -4.84 -0.69 5.68 -1.26 -4.95 116.55 107.89 2woh n ASP 239 Ca -0.03 -1.03 -0.32 0.00 -0.50 0.00 0.00 54.79 52.91 2woh n ASP 239 Cb 0.12 0.84 -0.05 0.00 -1.14 0.00 0.00 41.12 40.89 2woh n ASP 239 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2woh s ALA 240 N -2.37 3.12 -0.61 2.12 0.00 -1.22 -5.00 121.76 117.79 2woh s ALA 240 Ca 0.09 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 2woh s ALA 240 Cb 0.13 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 20.25 2woh s ALA 240 CO 0.60 -0.05 1.08 0.50 0.00 0.00 0.00 175.76 177.89 2woh s ARG 241 N -3.68 3.32 0.31 0.00 3.52 -1.26 -5.01 118.95 116.15 2woh s ARG 241 Ca 0.58 -0.22 0.10 0.00 -0.13 0.00 0.00 55.73 56.06 2woh s ARG 241 Cb -0.10 -4.10 -0.05 0.00 -1.56 0.00 0.00 34.95 29.14 2woh s ARG 241 CO 0.25 -1.72 -0.06 -0.51 -0.81 0.00 0.00 175.30 172.45 2woh s LEU 242 N 4.58 2.88 -0.20 -0.88 1.43 -1.26 -1.66 118.68 123.57 2woh s LEU 242 Ca 0.33 -0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 2woh s LEU 242 Cb -0.11 -1.29 0.06 0.00 0.03 0.00 0.00 46.19 44.87 2woh s LEU 242 CO 0.19 -0.12 0.51 -0.76 0.23 0.00 0.00 176.35 176.40 2woh s LEU 243 N -3.64 -0.10 0.30 1.79 1.43 -0.77 -4.70 118.68 112.99 2woh s LEU 243 Ca 0.33 1.06 -0.06 0.00 -1.03 0.00 0.00 54.13 54.43 2woh s LEU 243 Cb -0.02 1.75 -0.05 0.00 0.03 0.00 0.00 46.19 47.90 2woh s LEU 243 CO 0.18 -0.19 0.58 -0.54 0.23 0.00 0.00 176.35 176.61 2woh s LYS 244 N 0.63 3.66 -0.18 1.70 1.02 -0.17 -0.49 119.74 125.91 2woh s LYS 244 Ca -0.03 0.08 -0.00 0.00 0.02 0.00 0.00 55.97 56.04 2woh s LYS 244 Cb -0.05 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.70 2woh s LYS 244 CO -0.04 0.18 -0.06 0.08 -0.92 0.00 0.00 175.35 174.59 2woh s VAL 245 N -2.12 1.23 0.02 3.17 1.01 0.47 -0.90 120.40 123.28 2woh s VAL 245 Ca 0.45 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2woh s VAL 245 Cb -0.11 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2woh s VAL 245 CO 0.30 0.08 0.33 -0.63 0.00 0.00 0.00 175.10 175.18 2woh s ILE 246 N 1.57 5.20 0.09 2.22 -1.09 -0.75 -2.89 121.20 125.55 2woh s ILE 246 Ca -0.01 0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.89 2woh s ILE 246 Cb -0.16 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 2woh s ILE 246 CO -0.08 0.41 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.42 2woh s SER 247 N -1.52 2.23 0.25 3.58 0.01 -1.26 -1.35 113.70 115.64 2woh s SER 247 Ca 0.27 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2woh s SER 247 Cb -0.14 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 2woh s SER 247 CO 0.15 0.02 0.09 -0.31 0.41 0.00 0.00 173.24 173.60 2woh s TYR 248 N -1.17 1.51 -0.19 2.43 1.51 0.20 -1.27 117.35 120.37 2woh s TYR 248 Ca 0.04 -1.17 -0.02 0.00 -1.01 0.00 0.00 57.07 54.90 2woh s TYR 248 Cb -0.10 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.86 2woh s TYR 248 CO 0.03 -0.33 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.88 2woh s LEU 249 N -3.30 2.72 -0.09 -1.29 2.96 -0.49 -1.02 118.68 118.16 2woh s LEU 249 Ca 0.37 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 2woh s LEU 249 Cb 0.08 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2woh s LEU 249 CO 0.13 0.03 1.25 -0.62 -1.32 0.00 0.00 176.35 175.82 2woh s ASP 250 N 1.17 6.99 0.00 3.68 2.15 -0.46 -4.70 116.67 125.49 2woh s ASP 250 Ca 0.02 1.81 0.04 0.00 0.43 0.00 0.00 52.55 54.85 2woh s ASP 250 Cb -0.14 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.98 2woh s ASP 250 CO -0.03 -0.67 0.75 0.52 -0.17 0.00 0.00 175.17 175.58 2woh n VAL 251 N 4.90 0.24 -0.77 1.11 0.31 -1.26 -4.96 118.33 117.91 2woh n VAL 251 Ca 0.12 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2woh n VAL 251 Cb 0.45 0.95 0.00 0.00 -0.91 0.00 0.00 33.84 34.33 2woh n VAL 251 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2woh n GLY 252 N 0.16 0.65 0.53 2.92 0.00 -1.26 -4.91 105.19 103.29 2woh n GLY 252 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2woh n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2woh n ASP 253 N 0.00 1.64 0.00 1.61 5.75 -1.26 -4.91 116.55 119.38 2woh n ASP 253 Ca 0.00 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 2woh n ASP 253 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2woh n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2woh n GLY 254 N 1.18 0.39 2.34 6.12 0.00 -1.26 -4.02 105.19 109.94 2woh n GLY 254 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2woh n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2woh n ASN 255 N -0.24 0.73 0.27 1.61 5.15 -1.26 -4.90 115.26 116.62 2woh n ASN 255 Ca 0.00 -2.75 0.18 0.00 -0.60 0.00 0.00 54.58 51.41 2woh n ASN 255 Cb 0.12 -0.63 0.82 0.00 -0.53 0.00 0.00 39.78 39.56 2woh n ASN 255 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2woh h TYR 256 N 4.60 0.00 0.00 1.20 -0.00 -1.92 -1.45 116.97 119.40 2woh h TYR 256 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.87 2woh h TYR 256 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.57 2woh h TYR 256 CO 0.41 0.00 -0.06 -1.49 -0.00 0.00 0.00 178.16 177.03 2woh h TRP 257 N 0.00 0.00 -0.15 0.10 4.06 -1.92 -2.42 115.95 115.61 2woh h TRP 257 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2woh h TRP 257 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 2woh h TRP 257 CO 0.00 0.06 0.00 0.00 -3.56 0.00 0.00 178.44 174.94 2woh n ALA 258 N -2.32 2.53 -3.09 1.49 0.00 -0.55 -4.24 120.51 114.33 2woh n ALA 258 Ca -0.02 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 52.91 2woh n ALA 258 Cb 0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2woh n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2woh n HIS 259 N -0.00 -1.02 -2.04 0.00 8.25 -0.91 -4.75 115.22 114.75 2woh n HIS 259 Ca 0.05 -3.16 -0.37 0.00 -0.26 0.00 0.00 57.72 53.99 2woh n HIS 259 Cb 0.19 0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.42 2woh n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2woh s PRO 260 N -0.83 3.25 -0.85 -0.41 0.04 -1.26 -1.40 135.00 133.53 2woh s PRO 260 Ca 0.34 1.90 -0.08 0.00 0.04 0.00 0.00 61.00 63.20 2woh s PRO 260 Cb 0.20 -2.14 0.22 0.00 0.04 0.00 0.00 34.50 32.81 2woh s PRO 260 CO -0.14 -1.00 0.77 0.42 0.04 0.00 0.00 177.00 177.09 2woh s ILE 261 N -1.52 5.05 0.28 0.56 1.01 -0.40 -4.33 121.20 121.86 2woh s ILE 261 Ca 0.72 -3.01 -0.29 0.00 0.00 0.00 0.00 60.65 58.06 2woh s ILE 261 Cb -0.32 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 2woh s ILE 261 CO 0.37 -1.04 1.24 -0.70 0.00 0.00 0.00 174.94 174.81 2woh s GLU 262 N -0.44 4.45 0.00 2.79 2.56 -1.26 -3.47 118.70 123.34 2woh s GLU 262 Ca 0.22 2.04 0.00 0.00 0.00 0.00 0.00 54.97 57.23 2woh s GLU 262 Cb -0.12 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.87 2woh s GLU 262 CO -0.08 -0.08 0.00 0.09 -0.56 0.00 0.00 175.26 174.63 2woh n ASN 263 N 1.45 -2.95 -4.14 -1.70 3.02 -1.26 -4.51 115.26 105.17 2woh n ASN 263 Ca 0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 2woh n ASN 263 Cb 0.43 -0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 2woh n ASN 263 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2woh s LEU 264 N 0.00 2.91 -0.08 3.41 2.96 -1.23 -0.66 118.68 125.99 2woh s LEU 264 Ca 0.00 -0.95 0.01 0.00 -0.22 0.00 0.00 54.13 52.97 2woh s LEU 264 Cb 0.00 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.14 2woh s LEU 264 CO 0.00 -0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.15 2woh s VAL 265 N 1.25 0.97 -0.12 1.68 1.01 -0.16 -4.46 120.40 120.57 2woh s VAL 265 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2woh s VAL 265 Cb -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2woh s VAL 265 CO -0.07 0.33 -0.12 0.00 0.00 0.00 0.00 175.10 175.24 2woh s ALA 266 N 1.09 2.66 -0.17 5.51 0.00 -1.14 0.25 121.76 129.97 2woh s ALA 266 Ca -0.07 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 2woh s ALA 266 Cb -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 2woh s ALA 266 CO -0.01 0.28 0.27 0.08 0.00 0.00 0.00 175.76 176.38 2woh s VAL 267 N 0.23 5.32 -0.13 0.00 1.01 0.89 -0.39 120.40 127.32 2woh s VAL 267 Ca -0.08 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2woh s VAL 267 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2woh s VAL 267 CO 0.05 0.40 -0.21 -0.69 0.00 0.00 0.00 175.10 174.64 2woh s VAL 268 N 0.45 2.20 -0.32 2.92 1.01 0.36 -1.63 120.40 125.39 2woh s VAL 268 Ca 0.15 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 2woh s VAL 268 Cb -0.13 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2woh s VAL 268 CO 0.03 0.55 0.50 -0.62 0.00 0.00 0.00 175.10 175.56 2woh s ASP 269 N 0.62 6.34 0.32 3.32 -1.08 -0.75 -1.85 116.67 123.58 2woh s ASP 269 Ca -0.11 0.12 0.25 0.00 -0.52 0.00 0.00 52.55 52.29 2woh s ASP 269 Cb -0.16 -2.27 0.63 0.00 -1.46 0.00 0.00 42.92 39.66 2woh s ASP 269 CO 0.03 -0.41 1.71 -0.07 0.52 0.00 0.00 175.17 176.94 2woh h LEU 270 N 8.99 0.00 0.13 -1.34 3.38 -1.63 0.22 115.31 125.06 2woh h LEU 270 Ca -0.28 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 2woh h LEU 270 Cb 1.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.89 2woh h LEU 270 CO 0.75 0.00 -1.16 -0.33 0.09 0.00 0.00 178.44 177.79 2woh h GLU 271 N 0.00 0.27 0.00 1.13 4.39 -1.93 -3.31 114.58 115.13 2woh h GLU 271 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2woh h GLU 271 Cb 0.83 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2woh h GLU 271 CO 0.00 1.22 0.00 0.37 -1.16 0.00 0.00 179.01 179.44 2woh h GLN 272 N -0.33 0.00 -6.53 2.33 4.15 -1.92 -3.47 115.11 109.34 2woh h GLN 272 Ca -0.24 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.71 2woh h GLN 272 Cb 1.71 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.43 2woh h GLN 272 CO 0.10 0.00 -0.94 1.63 -1.93 0.00 0.00 178.83 177.69 2woh n LYS 273 N -2.53 -0.91 -3.58 1.69 5.02 0.75 -4.97 118.16 113.62 2woh n LYS 273 Ca 0.04 0.43 -0.12 0.00 -2.02 0.00 0.00 58.31 56.63 2woh n LYS 273 Cb 0.38 -3.31 -0.06 0.00 -0.02 0.00 0.00 35.03 32.02 2woh n LYS 273 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2woh s LYS 274 N -6.17 0.70 -0.51 1.97 2.20 -1.08 -4.99 119.74 111.87 2woh s LYS 274 Ca 0.38 0.31 -0.28 0.00 -0.36 0.00 0.00 55.97 56.02 2woh s LYS 274 Cb -0.17 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2woh s LYS 274 CO 0.90 -0.19 1.27 0.42 -0.36 0.00 0.00 175.35 177.39 2woh s ILE 275 N -0.77 4.00 -0.31 5.43 1.01 -1.26 -1.81 121.20 127.48 2woh s ILE 275 Ca -0.03 0.96 0.21 0.00 0.00 0.00 0.00 60.65 61.79 2woh s ILE 275 Cb -0.02 -4.52 0.18 0.00 0.01 0.00 0.00 42.46 38.11 2woh s ILE 275 CO 0.02 -1.08 1.40 -0.37 0.00 0.00 0.00 174.94 174.91 2woh h VAL 276 N 6.30 0.22 -2.24 2.92 -1.51 -1.67 -3.47 116.25 116.80 2woh h VAL 276 Ca -0.25 -1.34 -0.07 0.00 -1.23 0.00 0.00 66.70 63.81 2woh h VAL 276 Cb 1.08 1.99 -0.20 0.00 -2.13 0.00 0.00 31.29 32.02 2woh h VAL 276 CO 1.15 0.13 0.05 -0.75 -1.23 0.00 0.00 177.57 176.92 2woh s LYS 277 N -3.17 0.87 -0.10 5.19 2.20 -1.21 -5.02 119.74 118.52 2woh s LYS 277 Ca 0.04 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2woh s LYS 277 Cb 0.07 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.82 2woh s LYS 277 CO 0.72 -0.21 -0.09 0.42 -0.36 0.00 0.00 175.35 175.83 2woh s ILE 278 N -0.63 1.04 -0.20 5.43 1.01 -1.26 -0.08 121.20 126.50 2woh s ILE 278 Ca -0.07 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2woh s ILE 278 Cb -0.02 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2woh s ILE 278 CO 0.06 0.36 0.10 -1.61 0.00 0.00 0.00 174.94 173.85 2woh s GLU 279 N 1.42 4.03 -0.01 2.79 2.02 0.14 -4.99 118.70 124.10 2woh s GLU 279 Ca -0.00 -0.31 0.06 0.00 0.02 0.00 0.00 54.97 54.74 2woh s GLU 279 Cb -0.13 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 2woh s GLU 279 CO -0.05 0.20 -0.19 -1.21 0.02 0.00 0.00 175.26 174.03 2woh s GLU 280 N 0.60 1.55 0.00 1.61 2.02 -1.26 -0.99 118.70 122.23 2woh s GLU 280 Ca 0.05 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2woh s GLU 280 Cb -0.12 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.59 2woh s GLU 280 CO 0.01 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2woh n GLY 281 N 2.52 7.02 3.71 -1.39 0.00 0.16 -5.02 105.19 112.19 2woh n GLY 281 Ca -0.15 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 2woh n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2woh n PRO 282 N 0.00 1.89 -2.50 1.61 -0.02 -1.26 -4.95 135.00 129.77 2woh n PRO 282 Ca 0.00 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2woh n PRO 282 Cb 0.00 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.00 2woh n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2woh s VAL 283 N -1.23 4.29 -0.10 -1.45 1.01 -1.26 -4.71 120.40 116.95 2woh s VAL 283 Ca 0.64 1.64 0.01 0.00 0.00 0.00 0.00 61.98 64.26 2woh s VAL 283 Cb -0.48 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 31.87 2woh s VAL 283 CO 0.56 0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.97 2woh s VAL 284 N 1.28 1.14 0.19 2.92 1.01 -1.26 -5.10 120.40 120.58 2woh s VAL 284 Ca 0.56 -0.40 -0.33 0.00 0.00 0.00 0.00 61.98 61.81 2woh s VAL 284 Cb -0.26 -1.10 -0.14 0.00 0.00 0.00 0.00 36.38 34.87 2woh s VAL 284 CO 0.27 0.38 1.46 -2.65 0.00 0.00 0.00 175.10 174.56 2woh n PRO 285 N 4.52 1.97 -1.74 2.72 -0.02 -1.26 -4.59 135.00 136.59 2woh n PRO 285 Ca -0.17 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 2woh n PRO 285 Cb 0.51 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2woh n PRO 285 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2woh s VAL 286 N 0.36 2.16 0.05 -1.45 1.01 -1.26 -4.82 120.40 116.44 2woh s VAL 286 Ca 0.74 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 2woh s VAL 286 Cb -0.69 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2woh s VAL 286 CO 0.45 0.00 1.80 -2.84 0.00 0.00 0.00 175.10 174.51 2woh s PRO 287 N 1.46 4.16 -0.23 2.72 0.02 -1.26 -4.90 135.00 136.97 2woh s PRO 287 Ca 0.76 2.46 0.08 0.00 0.02 0.00 0.00 61.00 64.32 2woh s PRO 287 Cb -0.49 -3.86 -0.19 0.00 0.02 0.00 0.00 34.50 29.98 2woh s PRO 287 CO 0.33 -0.86 -0.11 -1.33 -0.33 0.00 0.00 177.00 174.70 2woh n MET 288 N 6.56 0.71 -1.50 5.54 2.81 -1.26 -4.43 117.12 125.54 2woh n MET 288 Ca 0.18 0.09 -0.48 0.00 -1.81 0.00 0.00 57.70 55.68 2woh n MET 288 Cb 0.41 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 2woh n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2woh n THR 289 N -3.03 1.71 -2.53 2.03 -1.04 -1.26 -4.86 114.28 105.30 2woh n THR 289 Ca -0.39 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 60.77 2woh n THR 289 Cb 1.03 -0.48 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 2woh n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2woh s ALA 290 N -0.84 3.31 -0.39 2.41 0.00 -1.26 -4.98 121.76 120.01 2woh s ALA 290 Ca 0.65 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.42 2woh s ALA 290 Cb -0.86 -3.40 0.24 0.00 0.00 0.00 0.00 23.12 19.10 2woh s ALA 290 CO 0.57 -0.35 0.50 0.54 0.00 0.00 0.00 175.76 177.02 2woh n ARG 291 N 3.83 0.64 -2.35 0.00 5.12 -1.26 -5.11 116.66 117.54 2woh n ARG 291 Ca 0.08 -3.19 -0.33 0.00 -1.93 0.00 0.00 57.85 52.48 2woh n ARG 291 Cb 0.48 -1.28 -0.02 0.00 -1.16 0.00 0.00 32.46 30.48 2woh n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2woh s PRO 292 N -0.98 3.77 0.00 5.56 0.04 -1.26 -4.67 135.00 137.46 2woh s PRO 292 Ca 0.35 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.49 2woh s PRO 292 Cb 0.15 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2woh s PRO 292 CO -0.12 -0.43 0.32 1.97 0.04 0.00 0.00 177.00 178.78 2woh n PHE 293 N -1.57 0.00 1.67 0.56 1.16 -1.26 -4.69 117.46 113.34 2woh n PHE 293 Ca 0.08 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.80 2woh n PHE 293 Cb 0.53 0.00 0.67 0.00 -1.61 0.00 0.00 39.48 39.07 2woh n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2woh n ASP 294 N -0.44 0.96 0.00 5.98 5.75 -1.26 -4.90 116.55 122.64 2woh n ASP 294 Ca 0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 2woh n ASP 294 Cb 0.03 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2woh n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2woh n GLY 295 N 1.11 0.75 0.38 6.12 0.00 -1.26 -4.94 105.19 107.34 2woh n GLY 295 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.37 2woh n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2woh h ARG 296 N 3.33 0.44 -0.58 1.61 0.11 -1.92 0.19 114.38 117.56 2woh h ARG 296 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2woh h ARG 296 Cb 0.00 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2woh h ARG 296 CO 0.00 0.29 0.00 -0.40 0.10 0.00 0.00 179.97 179.96 2woh n ASP 297 N -4.49 5.37 -4.43 0.08 5.75 -1.26 -4.98 116.55 112.59 2woh n ASP 297 Ca 0.15 -2.79 -0.25 0.00 -0.01 0.00 0.00 54.79 51.89 2woh n ASP 297 Cb 0.52 -0.65 -0.11 0.00 -1.03 0.00 0.00 41.12 39.85 2woh n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2woh s ARG 298 N -2.49 1.55 -0.11 0.11 1.81 0.05 -5.12 118.95 114.75 2woh s ARG 298 Ca 0.53 -1.61 -0.18 0.00 -1.72 0.00 0.00 55.73 52.75 2woh s ARG 298 Cb 0.39 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.10 2woh s ARG 298 CO 0.18 0.35 0.47 0.08 -0.68 0.00 0.00 175.30 175.71 2woh s VAL 299 N -2.07 5.18 -0.53 3.52 1.01 -1.26 -5.02 120.40 121.22 2woh s VAL 299 Ca 0.24 0.94 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 2woh s VAL 299 Cb -0.06 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.54 2woh s VAL 299 CO 0.11 0.34 0.99 0.00 0.00 0.00 0.00 175.10 176.55 2woh s ALA 300 N 0.52 3.15 0.85 5.51 0.00 -1.26 -5.04 121.76 125.50 2woh s ALA 300 Ca 0.26 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 2woh s ALA 300 Cb -0.15 -3.77 0.10 0.00 0.00 0.00 0.00 23.12 19.30 2woh s ALA 300 CO 0.10 -2.35 1.10 -1.25 0.00 0.00 0.00 175.76 173.36 2woh s PRO 301 N 4.10 1.61 0.35 0.00 0.04 -1.26 -5.00 135.00 134.83 2woh s PRO 301 Ca 0.35 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 61.82 2woh s PRO 301 Cb -0.11 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2woh s PRO 301 CO 0.23 -1.97 1.14 0.00 0.04 0.00 0.00 177.00 176.44 2woh s ALA 302 N -3.06 3.28 -0.03 8.56 0.00 -1.26 -5.05 121.76 124.21 2woh s ALA 302 Ca 0.62 0.94 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 2woh s ALA 302 Cb -0.16 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.63 2woh s ALA 302 CO 0.55 -0.36 0.02 0.08 0.00 0.00 0.00 175.76 176.05 2woh s VAL 303 N -1.32 0.07 0.43 0.00 1.01 -1.26 -5.14 120.40 114.19 2woh s VAL 303 Ca 0.51 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 2woh s VAL 303 Cb -0.31 -0.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.79 2woh s VAL 303 CO 0.40 0.13 1.16 -0.54 0.00 0.00 0.00 175.10 176.25 2woh s LYS 304 N 1.20 3.91 0.49 2.72 1.02 -1.26 -4.97 119.74 122.85 2woh s LYS 304 Ca -0.07 1.78 -0.22 0.00 0.02 0.00 0.00 55.97 57.48 2woh s LYS 304 Cb -0.13 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.59 2woh s LYS 304 CO -0.02 -0.43 1.18 -1.25 -0.92 0.00 0.00 175.35 173.90 2woh s PRO 305 N -2.52 3.59 -0.21 -1.68 0.04 -1.26 -5.04 135.00 127.92 2woh s PRO 305 Ca 0.61 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2woh s PRO 305 Cb -0.29 -2.30 0.07 0.00 0.04 0.00 0.00 34.50 32.03 2woh s PRO 305 CO 0.36 -0.70 0.12 1.41 0.04 0.00 0.00 177.00 178.22 2woh s MET 306 N -2.85 0.11 -0.10 4.56 1.75 -1.26 -5.14 119.30 116.37 2woh s MET 306 Ca 0.67 -0.17 -0.06 0.00 -1.25 0.00 0.00 55.69 54.87 2woh s MET 306 Cb -0.29 -1.59 -0.04 0.00 2.84 0.00 0.00 34.83 35.75 2woh s MET 306 CO 0.35 -0.76 0.15 -0.65 -0.65 0.00 0.00 175.02 173.45 2woh s GLN 307 N 2.15 3.44 -0.31 4.11 -0.21 -1.26 -4.95 119.66 122.63 2woh s GLN 307 Ca 0.04 -0.17 -0.09 0.00 0.02 0.00 0.00 55.36 55.16 2woh s GLN 307 Cb -0.16 -3.17 -0.00 0.00 1.00 0.00 0.00 33.01 30.68 2woh s GLN 307 CO -0.17 0.76 0.15 0.42 -2.12 0.00 0.00 175.29 174.33 2woh s ILE 308 N -1.09 4.50 0.10 1.08 1.01 -1.26 -5.09 121.20 120.45 2woh s ILE 308 Ca 0.17 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.42 2woh s ILE 308 Cb -0.12 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2woh s ILE 308 CO 0.07 0.04 -0.26 0.27 0.00 0.00 0.00 174.94 175.06 2woh s ILE 309 N 1.59 2.11 -0.49 2.92 -4.36 -1.26 -3.47 121.20 118.24 2woh s ILE 309 Ca 0.04 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 58.85 2woh s ILE 309 Cb -0.17 -1.86 0.16 0.00 1.25 0.00 0.00 42.46 41.84 2woh s ILE 309 CO 0.06 0.13 0.35 -1.61 0.24 0.00 0.00 174.94 174.11 2woh s GLU 310 N -1.81 1.34 0.00 0.37 2.02 -1.26 -5.01 118.70 114.35 2woh s GLU 310 Ca 0.12 -2.34 0.23 0.00 0.02 0.00 0.00 54.97 53.00 2woh s GLU 310 Cb -0.10 -2.09 1.30 0.00 0.10 0.00 0.00 34.13 33.34 2woh s GLU 310 CO 0.05 -1.31 1.73 -0.35 0.02 0.00 0.00 175.26 175.40 2woh n PRO 311 N 2.85 0.60 -0.15 0.39 -0.04 -1.26 -1.87 135.00 135.52 2woh n PRO 311 Ca 0.22 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2woh n PRO 311 Cb 0.41 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.50 2woh n PRO 311 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2woh n GLU 312 N -1.08 2.47 0.00 0.54 1.02 -1.26 -3.73 120.64 118.59 2woh n GLU 312 Ca 0.15 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 2woh n GLU 312 Cb 0.11 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2woh n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2woh n GLY 313 N -0.56 -2.21 3.97 0.62 0.00 -0.78 -4.91 105.19 101.32 2woh n GLY 313 Ca 0.12 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.97 2woh n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2woh s LYS 314 N -0.20 2.87 0.23 1.61 -0.14 -1.26 -4.83 119.74 118.02 2woh s LYS 314 Ca 0.00 -0.72 0.23 0.00 -1.36 0.00 0.00 55.97 54.12 2woh s LYS 314 Cb 0.00 -2.58 0.05 0.00 -1.68 0.00 0.00 37.83 33.61 2woh s LYS 314 CO 0.00 -0.38 1.12 -0.91 -0.76 0.00 0.00 175.35 174.42 2woh h ASN 315 N 0.37 0.00 -3.04 2.83 2.35 -1.96 -3.47 115.58 112.66 2woh h ASN 315 Ca -0.44 -0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.81 2woh h ASN 315 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2woh h ASN 315 CO 0.54 0.00 -0.15 -0.72 -1.65 0.00 0.00 177.43 175.45 2woh s TYR 316 N -3.34 3.50 0.00 1.19 1.13 -1.26 -4.59 117.35 113.97 2woh s TYR 316 Ca 0.01 0.51 0.06 0.00 -1.41 0.00 0.00 57.07 56.24 2woh s TYR 316 Cb 0.09 -2.01 -0.02 0.00 -1.10 0.00 0.00 41.96 38.92 2woh s TYR 316 CO 0.77 0.11 -0.20 0.99 -2.51 0.00 0.00 175.55 174.72 2woh s THR 317 N -2.25 1.55 -0.31 -3.49 2.01 -0.42 -4.79 115.64 107.93 2woh s THR 317 Ca 0.42 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.51 2woh s THR 317 Cb -0.10 -1.31 0.08 0.00 0.01 0.00 0.00 72.50 71.18 2woh s THR 317 CO 0.34 0.35 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.98 2woh s ILE 318 N -0.57 2.31 -0.40 1.82 1.01 0.13 -1.52 121.20 123.98 2woh s ILE 318 Ca 0.07 -2.03 -0.05 0.00 0.00 0.00 0.00 60.65 58.65 2woh s ILE 318 Cb -0.08 -2.56 0.10 0.00 0.01 0.00 0.00 42.46 39.93 2woh s ILE 318 CO 0.00 -0.37 0.20 -0.89 0.00 0.00 0.00 174.94 173.88 2woh s THR 319 N 1.00 3.52 0.00 2.92 2.01 0.76 -1.40 115.64 124.45 2woh s THR 319 Ca 0.03 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.23 2woh s THR 319 Cb -0.20 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2woh s THR 319 CO -0.06 -0.58 0.00 0.61 -0.69 0.00 0.00 174.62 173.90 2woh n GLY 320 N 4.69 3.28 0.77 4.40 0.00 -1.16 -0.98 105.19 116.20 2woh n GLY 320 Ca -0.06 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2woh n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2woh n ASP 321 N 9.44 3.05 -4.72 1.61 8.00 -1.26 -4.97 116.55 127.70 2woh n ASP 321 Ca 0.00 -1.95 -0.41 0.00 0.71 0.00 0.00 54.79 53.14 2woh n ASP 321 Cb 0.00 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 40.80 2woh n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2woh s MET 322 N -1.02 4.49 -0.13 -1.24 -1.94 -0.15 -1.23 119.30 118.09 2woh s MET 322 Ca 0.27 1.11 0.02 0.00 -1.71 0.00 0.00 55.69 55.39 2woh s MET 322 Cb 0.15 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.54 2woh s MET 322 CO 0.19 0.04 -0.20 0.42 -0.01 0.00 0.00 175.02 175.47 2woh s ILE 323 N 0.79 2.33 -0.14 2.53 1.01 0.06 -0.17 121.20 127.61 2woh s ILE 323 Ca 0.43 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2woh s ILE 323 Cb -0.19 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2woh s ILE 323 CO 0.22 0.54 -0.14 -2.28 0.00 0.00 0.00 174.94 173.29 2woh s HIS 324 N 0.67 2.80 -0.26 3.97 5.65 -0.58 -2.09 115.29 125.44 2woh s HIS 324 Ca -0.10 -0.76 -0.01 0.00 0.25 0.00 0.00 55.06 54.44 2woh s HIS 324 Cb -0.16 -1.86 0.14 0.00 -1.18 0.00 0.00 32.58 29.53 2woh s HIS 324 CO 0.02 -0.29 0.40 -0.46 -0.65 0.00 0.00 174.74 173.76 2woh s TRP 325 N 0.49 -0.92 0.00 3.88 -0.00 -0.77 -1.31 118.94 120.31 2woh s TRP 325 Ca -0.10 0.74 0.00 0.00 -0.00 0.00 0.00 56.10 56.75 2woh s TRP 325 Cb -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 33.47 33.31 2woh s TRP 325 CO 0.04 -0.80 0.00 0.54 -0.00 0.00 0.00 176.95 176.73 2woh n ARG 326 N 5.37 0.00 0.00 5.86 1.74 -1.26 -1.06 116.66 127.30 2woh n ARG 326 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 2woh n ARG 326 Cb 0.50 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.21 2woh n ARG 326 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2woh n ASN 327 N 8.23 1.27 -4.83 0.55 3.02 -1.26 -4.92 115.26 117.33 2woh n ASN 327 Ca 0.00 -1.04 -0.36 0.00 -0.03 0.00 0.00 54.58 53.15 2woh n ASN 327 Cb 0.00 0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 2woh n ASN 327 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2woh s TRP 328 N -2.51 3.64 -0.07 3.10 0.52 -0.22 0.44 118.94 123.83 2woh s TRP 328 Ca 0.22 1.26 -0.03 0.00 0.02 0.00 0.00 56.10 57.57 2woh s TRP 328 Cb 0.19 -2.52 0.04 0.00 -1.15 0.00 0.00 33.47 30.03 2woh s TRP 328 CO 0.54 0.39 0.15 -0.51 0.02 0.00 0.00 176.95 177.54 2woh s ASP 329 N -1.64 0.04 0.19 2.95 1.01 -0.67 -1.84 116.67 116.71 2woh s ASP 329 Ca 0.40 0.32 -0.16 0.00 0.71 0.00 0.00 52.55 53.82 2woh s ASP 329 Cb -0.16 0.22 0.02 0.00 1.01 0.00 0.00 42.92 44.00 2woh s ASP 329 CO 0.20 -0.17 0.48 0.72 0.21 0.00 0.00 175.17 176.61 2woh s PHE 330 N 1.39 -0.03 -0.13 4.23 -0.12 -0.89 -0.75 117.98 121.68 2woh s PHE 330 Ca -0.07 -0.32 -0.00 0.00 -0.05 0.00 0.00 56.93 56.49 2woh s PHE 330 Cb -0.12 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 2woh s PHE 330 CO -0.06 -0.88 -0.12 -1.58 -0.05 0.00 0.00 175.22 172.53 2woh s HIS 331 N -3.89 2.83 -0.14 3.49 5.65 0.26 -0.76 115.29 122.73 2woh s HIS 331 Ca 0.10 -0.55 0.02 0.00 0.25 0.00 0.00 55.06 54.88 2woh s HIS 331 Cb -0.00 -1.84 0.01 0.00 -1.18 0.00 0.00 32.58 29.57 2woh s HIS 331 CO -0.02 -0.15 -0.20 -1.17 -0.65 0.00 0.00 174.74 172.55 2woh s LEU 332 N 0.24 2.02 0.00 8.88 2.96 -0.36 -0.30 118.68 132.13 2woh s LEU 332 Ca -0.08 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 2woh s LEU 332 Cb -0.15 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.16 2woh s LEU 332 CO 0.05 0.05 0.09 -1.54 -1.32 0.00 0.00 176.35 173.68 2woh n SER 333 N 4.22 -0.25 -3.77 3.68 3.41 -0.80 -4.75 113.62 115.36 2woh n SER 333 Ca -0.20 -1.36 -0.23 0.00 -0.26 0.00 0.00 58.87 56.82 2woh n SER 333 Cb 0.51 0.48 -0.17 0.00 -0.26 0.00 0.00 64.21 64.76 2woh n SER 333 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2woh s MET 334 N -2.16 0.61 -0.06 4.33 1.75 -1.26 -0.44 119.30 122.08 2woh s MET 334 Ca 0.06 0.06 -0.02 0.00 -1.25 0.00 0.00 55.69 54.54 2woh s MET 334 Cb -0.00 -1.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.55 2woh s MET 334 CO 0.04 -0.34 0.05 1.21 -0.65 0.00 0.00 175.02 175.33 2woh s ASN 335 N 1.96 5.53 0.50 1.11 3.84 0.74 -4.95 114.94 123.68 2woh s ASN 335 Ca 0.04 0.18 0.28 0.00 0.21 0.00 0.00 52.86 53.58 2woh s ASN 335 Cb -0.13 -1.60 1.16 0.00 -0.55 0.00 0.00 41.25 40.14 2woh s ASN 335 CO -0.06 0.34 1.92 0.77 -2.79 0.00 0.00 177.10 177.28 2woh h SER 336 N 4.71 0.00 0.00 -4.21 4.64 -1.91 -0.12 113.55 116.66 2woh h SER 336 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 2woh h SER 336 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2woh h SER 336 CO 0.58 0.12 -0.44 -0.09 -0.87 0.00 0.00 176.83 176.13 2woh h ARG 337 N 0.00 0.00 -0.09 4.77 2.43 -1.89 -0.12 114.38 119.48 2woh h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2woh h ARG 337 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2woh h ARG 337 CO 0.02 0.17 0.00 1.33 -1.51 0.00 0.00 179.97 179.98 2woh n VAL 338 N -4.64 0.13 -1.96 0.20 0.24 -1.24 -1.17 118.33 109.88 2woh n VAL 338 Ca -0.08 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2woh n VAL 338 Cb 0.25 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 2woh n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2woh n GLY 339 N 1.00 0.40 3.77 7.63 0.00 -0.06 -4.40 105.19 113.54 2woh n GLY 339 Ca 0.11 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2woh n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2woh s PRO 340 N 0.00 3.39 -0.07 1.61 0.04 -1.26 -0.19 135.00 138.52 2woh s PRO 340 Ca 0.00 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2woh s PRO 340 Cb 0.00 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2woh s PRO 340 CO 0.00 -0.83 -0.07 -1.64 0.04 0.00 0.00 177.00 174.50 2woh s MET 341 N -3.20 1.23 -0.29 4.56 -1.94 0.42 -4.38 119.30 115.70 2woh s MET 341 Ca 0.72 -0.20 -0.09 0.00 -1.71 0.00 0.00 55.69 54.41 2woh s MET 341 Cb -0.25 -1.22 -0.02 0.00 2.01 0.00 0.00 34.83 35.36 2woh s MET 341 CO 0.28 -0.13 0.12 0.42 -0.01 0.00 0.00 175.02 175.70 2woh s ILE 342 N 1.20 4.48 0.27 2.53 -1.09 -0.00 -1.91 121.20 126.68 2woh s ILE 342 Ca -0.06 -0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 2woh s ILE 342 Cb -0.14 -3.22 -0.06 0.00 -1.58 0.00 0.00 42.46 37.47 2woh s ILE 342 CO -0.02 0.17 -0.01 -0.44 -1.23 0.00 0.00 174.94 173.41 2woh s SER 343 N 1.61 2.29 -1.42 3.58 0.01 0.60 -0.55 113.70 119.82 2woh s SER 343 Ca 0.05 -1.24 -0.13 0.00 1.31 0.00 0.00 55.95 55.94 2woh s SER 343 Cb -0.16 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2woh s SER 343 CO 0.05 -0.47 0.27 0.35 0.41 0.00 0.00 173.24 173.86 2woh n THR 344 N -0.53 -1.71 -2.80 1.44 -2.24 0.07 -0.57 114.28 107.94 2woh n THR 344 Ca -0.05 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 2woh n THR 344 Cb 0.64 -1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.30 2woh n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2woh s VAL 345 N -4.05 4.55 0.17 2.28 1.01 0.74 -4.18 120.40 120.93 2woh s VAL 345 Ca 0.19 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.42 2woh s VAL 345 Cb -0.10 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2woh s VAL 345 CO 0.99 -0.60 -0.23 0.42 0.00 0.00 0.00 175.10 175.68 2woh s THR 346 N 3.56 2.17 -0.14 3.92 -4.23 0.07 -1.38 115.64 119.61 2woh s THR 346 Ca 0.39 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2woh s THR 346 Cb -0.11 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 2woh s THR 346 CO 0.20 -0.13 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.60 2woh s TYR 347 N -1.65 2.93 -0.44 3.99 6.14 0.59 -1.66 117.35 127.24 2woh s TYR 347 Ca 0.18 -0.45 -0.23 0.00 0.64 0.00 0.00 57.07 57.21 2woh s TYR 347 Cb -0.08 -1.91 0.02 0.00 0.42 0.00 0.00 41.96 40.42 2woh s TYR 347 CO 0.08 -0.11 0.79 1.21 0.64 0.00 0.00 175.55 178.16 2woh s ASN 348 N 0.34 6.43 -0.42 4.32 3.84 0.17 0.19 114.94 129.81 2woh s ASN 348 Ca -0.07 -0.06 -0.13 0.00 0.21 0.00 0.00 52.86 52.81 2woh s ASN 348 Cb -0.15 -2.39 0.05 0.00 -0.55 0.00 0.00 41.25 38.21 2woh s ASN 348 CO 0.04 -0.90 0.30 -0.62 -2.79 0.00 0.00 177.10 173.13 2woh s ASP 349 N 2.11 5.92 -1.18 -4.21 -1.08 0.85 -4.69 116.67 114.39 2woh s ASP 349 Ca 0.30 -1.19 -0.05 0.00 -0.52 0.00 0.00 52.55 51.09 2woh s ASP 349 Cb -0.12 -2.09 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 2woh s ASP 349 CO 0.22 -0.51 0.10 0.59 0.52 0.00 0.00 175.17 176.09 2woh n ASN 350 N 5.08 0.04 0.00 -0.34 5.03 -1.26 -0.44 115.26 123.36 2woh n ASN 350 Ca -0.11 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.31 2woh n ASN 350 Cb 0.45 -1.26 0.00 0.00 -1.02 0.00 0.00 39.78 37.95 2woh n ASN 350 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2woh n GLY 351 N -2.19 2.42 3.61 7.41 0.00 -1.26 -5.04 105.19 110.13 2woh n GLY 351 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2woh n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2woh s THR 352 N -2.48 5.15 -0.09 2.61 2.01 0.41 -5.06 115.64 118.19 2woh s THR 352 Ca 0.00 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 2woh s THR 352 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2woh s THR 352 CO 0.00 0.32 1.21 -0.54 -0.69 0.00 0.00 174.62 174.93 2woh s LYS 353 N 1.29 4.32 -0.11 4.92 1.02 -1.26 -0.11 119.74 129.81 2woh s LYS 353 Ca 0.07 1.66 -0.00 0.00 0.02 0.00 0.00 55.97 57.72 2woh s LYS 353 Cb -0.14 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2woh s LYS 353 CO 0.06 -0.52 -0.10 1.03 -0.92 0.00 0.00 175.35 174.90 2woh s ARG 354 N 2.59 3.20 0.31 1.68 0.52 0.13 -4.91 118.95 122.47 2woh s ARG 354 Ca 0.55 -0.62 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 2woh s ARG 354 Cb -0.24 -2.65 -0.11 0.00 0.52 0.00 0.00 34.95 32.48 2woh s ARG 354 CO 0.19 0.37 1.44 0.15 0.02 0.00 0.00 175.30 177.48 2woh s LYS 355 N -0.03 4.22 0.00 3.54 1.02 -1.26 -0.30 119.74 126.93 2woh s LYS 355 Ca -0.02 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.37 2woh s LYS 355 Cb -0.14 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2woh s LYS 355 CO 0.03 -0.43 0.00 0.28 -0.92 0.00 0.00 175.35 174.32 2woh n VAL 356 N 1.44 0.00 -3.68 3.17 0.31 -0.48 -0.72 118.33 118.36 2woh n VAL 356 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 2woh n VAL 356 Cb 0.40 -1.01 -0.10 0.00 -0.91 0.00 0.00 33.84 32.21 2woh n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2woh s MET 357 N -1.95 0.38 0.05 5.55 -2.45 -0.90 -1.88 119.30 118.10 2woh s MET 357 Ca 0.00 0.85 -0.15 0.00 -1.25 0.00 0.00 55.69 55.14 2woh s MET 357 Cb 0.00 0.06 -0.27 0.00 1.25 0.00 0.00 34.83 35.87 2woh s MET 357 CO 0.00 -0.18 1.12 -0.92 1.05 0.00 0.00 175.02 176.08 2woh h TYR 358 N 7.38 0.98 -1.98 4.11 3.20 -1.28 0.21 116.97 129.59 2woh h TYR 358 Ca -0.31 -0.59 0.08 0.00 3.14 0.00 0.00 58.73 61.05 2woh h TYR 358 Cb 1.17 -0.09 -0.20 0.00 1.54 0.00 0.00 36.73 39.15 2woh h TYR 358 CO 0.25 1.43 -0.12 -2.00 -1.64 0.00 0.00 178.16 176.08 2woh s GLU 359 N -3.07 0.58 0.01 1.82 2.12 -1.20 -0.75 118.70 118.22 2woh s GLU 359 Ca -0.10 1.44 0.03 0.00 0.36 0.00 0.00 54.97 56.70 2woh s GLU 359 Cb 0.05 0.84 -0.01 0.00 0.26 0.00 0.00 34.13 35.27 2woh s GLU 359 CO 0.92 -0.20 -0.10 0.20 -0.54 0.00 0.00 175.26 175.54 2woh s GLY 360 N 2.84 0.54 -0.02 -1.50 0.00 0.29 -0.06 107.32 109.41 2woh s GLY 360 Ca -0.06 -0.54 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 2woh s GLY 360 CO -0.19 -0.49 1.27 -1.35 0.00 0.00 0.00 173.10 172.34 2woh s SER 361 N -0.54 -0.07 0.19 1.64 1.04 -1.00 -0.82 113.70 114.14 2woh s SER 361 Ca 0.02 -0.13 -0.32 0.00 0.48 0.00 0.00 55.95 55.99 2woh s SER 361 Cb -0.05 0.17 -0.12 0.00 0.10 0.00 0.00 66.02 66.12 2woh s SER 361 CO 0.00 -0.32 1.72 -0.11 0.98 0.00 0.00 173.24 175.52 2woh n LEU 362 N -0.46 3.92 -0.06 2.42 7.94 -1.26 -1.86 117.00 127.65 2woh n LEU 362 Ca -0.08 1.05 -0.03 0.00 -1.11 0.00 0.00 56.01 55.85 2woh n LEU 362 Cb 0.62 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 2woh n LEU 362 CO 0.12 0.14 0.02 1.23 -1.11 0.00 0.00 177.39 177.79 2woh h GLY 363 N 6.89 0.00 0.00 -3.96 0.00 -0.34 -3.43 103.07 102.23 2woh h GLY 363 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2woh h GLY 363 CO 0.95 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.10 2woh n GLY 364 N 1.73 0.43 3.14 4.60 0.00 -0.97 -4.37 105.19 109.74 2woh n GLY 364 Ca -0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2woh n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2woh s MET 365 N -2.00 0.68 -0.01 1.61 0.23 -1.26 -1.60 119.30 116.95 2woh s MET 365 Ca 0.00 -0.99 0.01 0.00 -1.03 0.00 0.00 55.69 53.68 2woh s MET 365 Cb 0.00 0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.56 2woh s MET 365 CO 0.00 -0.17 -0.03 -1.50 -2.03 0.00 0.00 175.02 171.29 2woh s ILE 366 N -3.50 0.28 -0.50 3.16 2.07 -0.49 -3.51 121.20 118.71 2woh s ILE 366 Ca 0.03 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.19 2woh s ILE 366 Cb 0.04 -0.26 0.14 0.00 0.13 0.00 0.00 42.46 42.51 2woh s ILE 366 CO -0.09 0.10 0.28 -0.69 -1.91 0.00 0.00 174.94 172.63 2woh s VAL 367 N 0.15 1.94 -0.03 4.00 1.01 0.13 -0.69 120.40 126.91 2woh s VAL 367 Ca -0.01 -3.02 -0.13 0.00 0.00 0.00 0.00 61.98 58.82 2woh s VAL 367 Cb -0.04 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2woh s VAL 367 CO -0.00 -0.89 0.34 -2.16 0.00 0.00 0.00 175.10 172.39 2woh s PRO 368 N -0.08 3.79 0.33 2.72 0.04 -1.21 -1.97 135.00 138.62 2woh s PRO 368 Ca 0.19 0.27 0.07 0.00 0.04 0.00 0.00 61.00 61.56 2woh s PRO 368 Cb -0.22 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2woh s PRO 368 CO -0.02 0.71 0.41 0.71 0.04 0.00 0.00 177.00 178.85 2woh s TYR 369 N -1.07 3.05 -0.16 0.56 1.51 -0.75 -1.93 117.35 118.55 2woh s TYR 369 Ca 0.22 -0.24 0.13 0.00 -1.01 0.00 0.00 57.07 56.16 2woh s TYR 369 Cb -0.15 -1.91 0.25 0.00 -0.11 0.00 0.00 41.96 40.03 2woh s TYR 369 CO 0.11 0.07 1.16 0.41 -1.11 0.00 0.00 175.55 176.19 2woh n GLY 370 N -1.54 4.07 3.60 0.71 0.00 -1.08 -4.93 105.19 106.02 2woh n GLY 370 Ca -0.01 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2woh n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2woh s ASP 371 N -2.07 5.40 0.00 1.61 -1.08 -1.26 -4.98 116.67 114.29 2woh s ASP 371 Ca 0.24 0.03 0.27 0.00 -0.52 0.00 0.00 52.55 52.57 2woh s ASP 371 Cb 0.20 -1.90 0.86 0.00 -1.46 0.00 0.00 42.92 40.62 2woh s ASP 371 CO 0.04 0.19 1.64 -0.81 0.52 0.00 0.00 175.17 176.74 2woh n PRO 372 N 3.45 0.40 -0.77 4.34 -0.04 -1.26 -2.62 135.00 138.51 2woh n PRO 372 Ca -0.17 -0.19 -0.29 0.00 -0.04 0.00 0.00 63.50 62.81 2woh n PRO 372 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 2woh n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2woh s ASP 373 N -2.73 1.68 0.27 3.54 1.01 -1.26 -4.35 116.67 114.83 2woh s ASP 373 Ca 0.20 1.46 -0.01 0.00 0.71 0.00 0.00 52.55 54.91 2woh s ASP 373 Cb 0.19 -2.19 0.49 0.00 1.01 0.00 0.00 42.92 42.43 2woh s ASP 373 CO 0.57 -3.76 1.84 0.16 0.21 0.00 0.00 175.17 174.19 2woh h ILE 374 N -2.32 0.95 -0.30 0.77 3.07 -1.97 -0.74 117.51 116.97 2woh h ILE 374 Ca -0.58 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.49 2woh h ILE 374 Cb 1.33 -0.12 0.00 0.00 -0.27 0.00 0.00 36.82 37.75 2woh h ILE 374 CO 0.52 0.18 0.00 0.61 -1.05 0.00 0.00 178.15 178.41 2woh n GLY 375 N -1.34 1.24 0.00 0.16 0.00 -1.26 -4.29 105.19 99.69 2woh n GLY 375 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2woh n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2woh n TRP 376 N 0.39 0.00 0.17 1.61 7.02 -0.61 -4.89 117.44 121.12 2woh n TRP 376 Ca 0.12 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.61 2woh n TRP 376 Cb 0.45 0.00 0.29 0.00 -2.42 0.00 0.00 31.31 29.63 2woh n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2woh h TYR 377 N 0.00 0.00 -0.00 -5.99 -0.00 -0.92 -2.14 116.97 107.92 2woh h TYR 377 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2woh h TYR 377 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2woh h TYR 377 CO 0.00 0.46 -0.49 1.97 -0.00 0.00 0.00 178.16 180.10 2woh n PHE 378 N -4.00 0.00 -2.33 0.10 -1.74 -1.26 -4.92 117.46 103.31 2woh n PHE 378 Ca -0.02 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.46 2woh n PHE 378 Cb 0.48 -0.19 -0.03 0.00 1.52 0.00 0.00 39.48 41.26 2woh n PHE 378 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2woh s LYS 379 N -2.87 3.28 -0.13 3.97 2.20 -0.81 -4.70 119.74 120.69 2woh s LYS 379 Ca 0.14 0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 56.29 2woh s LYS 379 Cb 0.18 -4.14 0.06 0.00 -1.51 0.00 0.00 37.83 32.42 2woh s LYS 379 CO 0.67 -1.95 0.28 0.00 -0.36 0.00 0.00 175.35 173.99 2woh s ALA 380 N 6.30 -0.66 -0.22 3.13 0.00 -1.26 -1.82 121.76 127.23 2woh s ALA 380 Ca 0.57 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 2woh s ALA 380 Cb -0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2woh s ALA 380 CO 0.26 -0.45 0.22 0.71 0.00 0.00 0.00 175.76 176.50 2woh s TYR 381 N 1.91 3.34 -1.12 0.00 1.51 -0.83 -4.87 117.35 117.28 2woh s TYR 381 Ca -0.04 0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 56.28 2woh s TYR 381 Cb -0.11 -2.33 0.28 0.00 -0.11 0.00 0.00 41.96 39.69 2woh s TYR 381 CO -0.09 0.07 1.21 1.28 -1.11 0.00 0.00 175.55 176.90 2woh n LEU 382 N 4.25 5.66 -0.09 -1.29 4.32 -1.26 -0.69 117.00 127.90 2woh n LEU 382 Ca -0.13 -5.02 -0.06 0.00 -0.02 0.00 0.00 56.01 50.78 2woh n LEU 382 Cb 0.52 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 2woh n LEU 382 CO 0.37 1.36 0.77 0.44 -1.22 0.00 0.00 177.39 179.10 2woh h ASP 383 N 6.48 -0.44 -0.15 -1.43 3.32 -1.94 0.84 116.42 123.11 2woh h ASP 383 Ca 0.20 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 2woh h ASP 383 Cb 0.83 0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 2woh h ASP 383 CO 1.09 -0.16 -0.17 0.77 -1.72 0.00 0.00 179.24 179.05 2woh h SER 384 N -0.06 0.41 -0.06 6.45 4.64 -1.84 -1.57 113.55 121.52 2woh h SER 384 Ca 0.17 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2woh h SER 384 Cb 0.32 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2woh h SER 384 CO -0.38 0.82 0.01 1.23 -0.87 0.00 0.00 176.83 177.64 2woh h GLY 385 N 0.01 0.11 1.20 -0.77 0.00 -1.69 -0.86 103.07 101.07 2woh h GLY 385 Ca 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 2woh h GLY 385 CO 0.04 0.07 -1.14 -0.55 0.00 0.00 0.00 176.54 174.96 2woh h ASP 386 N -0.15 0.00 0.00 0.19 3.32 0.59 -3.40 116.42 116.97 2woh h ASP 386 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2woh h ASP 386 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2woh h ASP 386 CO 0.00 0.45 0.00 -1.22 -1.72 0.00 0.00 179.24 176.75 2woh n TYR 387 N -2.92 0.00 -2.25 4.55 4.02 -0.63 -0.42 117.16 119.51 2woh n TYR 387 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.81 2woh n TYR 387 Cb 0.76 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.06 2woh n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2woh n GLY 388 N 0.80 -4.30 0.09 2.72 0.00 -0.33 -4.77 105.19 99.40 2woh n GLY 388 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 46.02 46.73 2woh n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2woh h MET 389 N 2.49 0.12 0.07 1.61 2.86 -1.18 -2.93 114.93 117.97 2woh h MET 389 Ca -0.26 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 2woh h MET 389 Cb 0.59 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2woh h MET 389 CO 0.03 1.05 -0.22 0.78 1.06 0.00 0.00 176.91 179.60 2woh h GLY 390 N 2.33 -0.37 1.25 8.32 0.00 -0.99 -1.73 103.07 111.88 2woh h GLY 390 Ca -0.05 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.63 2woh h GLY 390 CO 0.15 -0.20 0.30 -0.84 0.00 0.00 0.00 176.54 175.96 2woh h THR 391 N -0.39 0.88 -0.61 4.70 2.02 -1.16 -1.11 112.91 117.25 2woh h THR 391 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2woh h THR 391 Cb 0.43 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2woh h THR 391 CO -0.16 0.04 0.00 0.18 0.37 0.00 0.00 175.52 175.95 2woh n LEU 392 N -4.46 4.69 -4.56 2.58 4.77 -0.88 -4.98 117.00 114.17 2woh n LEU 392 Ca 0.07 -2.37 -0.46 0.00 -0.03 0.00 0.00 56.01 53.21 2woh n LEU 392 Cb 0.37 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2woh n LEU 392 CO 0.35 0.75 0.54 0.41 -1.33 0.00 0.00 177.39 178.11 2woh n THR 393 N 1.00 1.62 -3.73 -5.08 -1.04 -0.42 -2.56 114.28 104.06 2woh n THR 393 Ca 0.25 -0.40 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 2woh n THR 393 Cb 0.90 -0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 68.47 2woh n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2woh s SER 394 N -0.43 5.37 0.34 8.00 0.01 0.10 -4.84 113.70 122.25 2woh s SER 394 Ca 0.64 -0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.48 2woh s SER 394 Cb -0.78 -1.97 -0.12 0.00 0.21 0.00 0.00 66.02 63.35 2woh s SER 394 CO 0.57 -0.02 1.29 -2.65 0.41 0.00 0.00 173.24 172.84 2woh n PRO 395 N 4.87 2.13 -2.03 12.44 -0.02 -1.26 -4.56 135.00 146.57 2woh n PRO 395 Ca -0.16 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 2woh n PRO 395 Cb 0.52 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2woh n PRO 395 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2woh s ILE 396 N -1.07 2.85 -0.74 4.25 -1.09 0.68 -4.94 121.20 121.14 2woh s ILE 396 Ca 0.56 0.63 -0.27 0.00 -2.23 0.00 0.00 60.65 59.34 2woh s ILE 396 Cb -0.57 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 36.93 2woh s ILE 396 CO 0.62 0.06 1.36 0.00 -1.23 0.00 0.00 174.94 175.76 2woh s ALA 397 N 0.84 2.67 0.07 9.38 0.00 -1.26 -4.93 121.76 128.53 2woh s ALA 397 Ca 0.66 -1.34 -0.37 0.00 0.00 0.00 0.00 51.96 50.91 2woh s ALA 397 Cb -0.41 -4.28 -0.17 0.00 0.00 0.00 0.00 23.12 18.26 2woh s ALA 397 CO 0.34 -3.39 1.37 -2.13 0.00 0.00 0.00 175.76 171.94 2woh n ARG 398 N 9.33 1.17 0.00 0.00 0.63 -1.26 -0.59 116.66 125.94 2woh n ARG 398 Ca 0.07 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 2woh n ARG 398 Cb 0.49 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.33 2woh n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2woh n GLY 399 N 2.62 2.92 0.49 5.14 0.00 -0.97 -4.73 105.19 110.65 2woh n GLY 399 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 2woh n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2woh n LYS 400 N -1.07 0.31 0.26 1.61 5.02 -0.09 -4.33 118.16 119.87 2woh n LYS 400 Ca 0.00 0.12 0.15 0.00 -2.02 0.00 0.00 58.31 56.56 2woh n LYS 400 Cb 0.00 -1.05 0.64 0.00 -0.02 0.00 0.00 35.03 34.60 2woh n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2woh h ASP 401 N -0.59 0.00 -5.14 4.39 3.32 -1.14 -3.43 116.42 113.83 2woh h ASP 401 Ca -0.01 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2woh h ASP 401 Cb 0.60 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.00 2woh h ASP 401 CO -0.01 0.07 -0.48 0.00 -1.72 0.00 0.00 179.24 177.11 2woh s ALA 402 N -3.71 -0.05 0.77 3.45 0.00 -1.25 -4.93 121.76 116.04 2woh s ALA 402 Ca 0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2woh s ALA 402 Cb 0.10 0.35 0.06 0.00 0.00 0.00 0.00 23.12 23.62 2woh s ALA 402 CO 0.57 -0.41 1.11 -1.25 0.00 0.00 0.00 175.76 175.78 2woh s PRO 403 N -3.34 2.18 0.63 0.00 0.04 -1.26 -2.30 135.00 130.95 2woh s PRO 403 Ca 0.01 1.28 0.29 0.00 0.04 0.00 0.00 61.00 62.63 2woh s PRO 403 Cb 0.03 -1.88 1.56 0.00 0.04 0.00 0.00 34.50 34.25 2woh s PRO 403 CO -0.08 -1.72 1.92 0.66 0.04 0.00 0.00 177.00 177.82 2woh h SER 404 N -0.99 0.00 -0.70 6.66 4.64 -1.85 -1.52 113.55 119.79 2woh h SER 404 Ca -0.44 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 2woh h SER 404 Cb 1.24 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.22 2woh h SER 404 CO 0.50 0.00 0.25 -0.46 -0.87 0.00 0.00 176.83 176.25 2woh n ASN 405 N -3.30 4.75 -4.89 4.97 6.94 -1.23 -4.90 115.26 117.60 2woh n ASN 405 Ca 0.03 -3.12 -0.29 0.00 -0.02 0.00 0.00 54.58 51.18 2woh n ASN 405 Cb 0.50 -0.73 -0.01 0.00 -2.36 0.00 0.00 39.78 37.18 2woh n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2woh s ALA 406 N -2.82 3.36 -0.14 -2.53 0.00 -0.57 -4.65 121.76 114.40 2woh s ALA 406 Ca 0.52 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 2woh s ALA 406 Cb 0.41 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2woh s ALA 406 CO 0.13 -0.28 -0.03 0.08 0.00 0.00 0.00 175.76 175.66 2woh s VAL 407 N -2.67 3.98 -0.24 0.00 1.01 0.55 -4.28 120.40 118.75 2woh s VAL 407 Ca 0.49 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 2woh s VAL 407 Cb -0.10 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2woh s VAL 407 CO 0.42 0.52 0.04 -0.76 0.00 0.00 0.00 175.10 175.32 2woh s LEU 408 N 0.05 3.32 0.18 3.92 1.43 -1.26 -0.66 118.68 125.65 2woh s LEU 408 Ca 0.00 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2woh s LEU 408 Cb -0.13 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 2woh s LEU 408 CO 0.03 -0.04 0.60 -0.76 0.23 0.00 0.00 176.35 176.40 2woh s LEU 409 N 1.57 4.32 0.10 1.79 1.43 0.91 -4.74 118.68 124.07 2woh s LEU 409 Ca 0.06 1.15 -0.04 0.00 -1.03 0.00 0.00 54.13 54.28 2woh s LEU 409 Cb -0.15 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2woh s LEU 409 CO 0.02 0.06 0.32 0.20 0.23 0.00 0.00 176.35 177.18 2woh s ASN 410 N -1.76 6.46 0.02 2.29 0.01 -1.26 0.22 114.94 120.91 2woh s ASN 410 Ca 0.40 0.50 0.02 0.00 -0.71 0.00 0.00 52.86 53.07 2woh s ASN 410 Cb -0.15 -2.06 -0.01 0.00 0.41 0.00 0.00 41.25 39.44 2woh s ASN 410 CO 0.20 0.11 -0.05 -1.61 -1.51 0.00 0.00 177.10 174.23 2woh s GLU 411 N -2.51 0.41 -0.15 -0.60 0.41 -0.83 -4.90 118.70 110.53 2woh s GLU 411 Ca 0.38 -0.43 -0.00 0.00 -0.41 0.00 0.00 54.97 54.51 2woh s GLU 411 Cb -0.13 -0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 31.95 2woh s GLU 411 CO 0.25 0.06 -0.14 0.99 -0.49 0.00 0.00 175.26 175.93 2woh s THR 412 N -0.73 2.83 0.43 3.63 2.01 -1.26 -0.13 115.64 122.42 2woh s THR 412 Ca -0.05 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2woh s THR 412 Cb -0.06 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 2woh s THR 412 CO -0.00 0.51 0.09 2.30 -0.69 0.00 0.00 174.62 176.84 2woh n ILE 413 N 3.91 0.00 -3.73 1.82 -5.35 -0.97 -4.88 119.36 110.17 2woh n ILE 413 Ca -0.19 -2.31 -0.37 0.00 -0.27 0.00 0.00 62.75 59.60 2woh n ILE 413 Cb 0.52 0.70 -0.06 0.00 -1.74 0.00 0.00 39.64 39.06 2woh n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2woh s ALA 414 N -3.00 3.80 0.77 -1.28 0.00 -1.26 -0.91 121.76 119.89 2woh s ALA 414 Ca 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 2woh s ALA 414 Cb 0.01 -2.14 0.12 0.00 0.00 0.00 0.00 23.12 21.10 2woh s ALA 414 CO 0.09 0.56 0.75 -0.40 0.00 0.00 0.00 175.76 176.76 2woh n ASP 415 N 1.95 0.57 0.22 0.00 5.68 -0.32 -4.87 116.55 119.78 2woh n ASP 415 Ca -0.18 -1.58 0.15 0.00 -0.50 0.00 0.00 54.79 52.68 2woh n ASP 415 Cb 0.54 -0.52 0.47 0.00 -1.14 0.00 0.00 41.12 40.47 2woh n ASP 415 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2woh h TYR 416 N -0.92 0.00 -0.02 2.11 -0.00 -1.88 -1.37 116.97 114.91 2woh h TYR 416 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.49 2woh h TYR 416 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.53 2woh h TYR 416 CO 0.00 0.00 -0.02 0.25 -0.00 0.00 0.00 178.16 178.39 2woh n THR 417 N -2.89 0.00 -0.53 -0.90 -2.24 -1.26 0.60 114.28 107.06 2woh n THR 417 Ca 0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2woh n THR 417 Cb 0.38 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2woh n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2woh n GLY 418 N 1.22 0.69 3.77 3.38 0.00 -0.51 -4.90 105.19 108.85 2woh n GLY 418 Ca 0.18 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2woh n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2woh s VAL 419 N -2.00 5.39 0.56 1.61 1.01 -1.26 -4.58 120.40 121.13 2woh s VAL 419 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 2woh s VAL 419 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 2woh s VAL 419 CO 0.00 0.48 0.71 -2.65 0.00 0.00 0.00 175.10 173.65 2woh n PRO 420 N 3.04 0.71 -3.48 2.72 -0.02 -1.26 -1.18 135.00 135.52 2woh n PRO 420 Ca -0.16 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 2woh n PRO 420 Cb 0.53 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 2woh n PRO 420 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2woh s MET 421 N -2.28 0.25 -0.23 -0.52 -2.45 -0.09 -4.77 119.30 109.22 2woh s MET 421 Ca 0.70 0.50 -0.21 0.00 -1.25 0.00 0.00 55.69 55.43 2woh s MET 421 Cb -0.45 -0.59 -0.02 0.00 1.25 0.00 0.00 34.83 35.01 2woh s MET 421 CO 0.52 -0.55 0.64 -2.00 1.05 0.00 0.00 175.02 174.68 2woh s GLU 422 N 2.45 4.16 -0.38 4.11 2.12 -1.26 -2.28 118.70 127.62 2woh s GLU 422 Ca 0.07 0.60 -0.18 0.00 0.36 0.00 0.00 54.97 55.82 2woh s GLU 422 Cb -0.15 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.63 2woh s GLU 422 CO -0.13 -0.34 0.53 0.42 -0.54 0.00 0.00 175.26 175.20 2woh s ILE 423 N 2.26 4.99 0.46 -3.70 1.01 0.82 -4.97 121.20 122.08 2woh s ILE 423 Ca 0.28 0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 2woh s ILE 423 Cb -0.16 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2woh s ILE 423 CO 0.09 -0.32 1.07 -2.16 0.00 0.00 0.00 174.94 173.63 2woh s PRO 424 N 2.43 3.84 -1.54 2.79 0.04 -1.26 -1.96 135.00 139.34 2woh s PRO 424 Ca 0.18 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 2woh s PRO 424 Cb -0.15 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.15 2woh s PRO 424 CO 0.14 -0.42 0.20 0.54 0.04 0.00 0.00 177.00 177.50 2woh n ARG 425 N -0.68 -1.71 0.12 4.56 1.74 -1.21 -4.33 116.66 115.16 2woh n ARG 425 Ca 0.08 0.20 -0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2woh n ARG 425 Cb 0.51 -4.01 0.05 0.00 -1.02 0.00 0.00 32.46 27.99 2woh n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2woh h ALA 426 N 0.82 0.66 -3.39 7.54 0.00 -0.31 0.19 119.26 124.78 2woh h ALA 426 Ca -0.64 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 53.49 2woh h ALA 426 Cb 1.39 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.82 2woh h ALA 426 CO 0.70 0.80 -0.57 0.42 0.00 0.00 0.00 179.25 180.60 2woh s ILE 427 N -3.06 0.01 -0.13 0.00 1.01 -1.06 -4.46 121.20 113.51 2woh s ILE 427 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2woh s ILE 427 Cb 0.09 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 2woh s ILE 427 CO 0.76 -0.03 -0.04 0.00 0.00 0.00 0.00 174.94 175.63 2woh s ALA 428 N -0.03 3.03 -0.16 9.38 0.00 0.46 -0.06 121.76 134.37 2woh s ALA 428 Ca -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2woh s ALA 428 Cb -0.01 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.64 2woh s ALA 428 CO 0.00 0.35 -0.14 0.08 0.00 0.00 0.00 175.76 176.05 2woh s VAL 429 N -0.08 2.76 -0.15 0.00 1.01 0.16 -0.04 120.40 124.06 2woh s VAL 429 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2woh s VAL 429 Cb -0.13 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.12 2woh s VAL 429 CO 0.03 0.51 0.39 0.72 0.00 0.00 0.00 175.10 176.74 2woh s PHE 430 N 0.88 -0.47 0.19 5.22 -0.71 -0.62 -0.33 117.98 122.14 2woh s PHE 430 Ca -0.04 1.10 -0.19 0.00 -1.04 0.00 0.00 56.93 56.76 2woh s PHE 430 Cb -0.15 0.17 -0.08 0.00 -1.21 0.00 0.00 43.02 41.75 2woh s PHE 430 CO -0.01 -0.24 0.69 -2.00 -1.34 0.00 0.00 175.22 172.32 2woh s GLU 431 N 0.53 4.23 -0.03 1.99 2.12 -1.26 -0.54 118.70 125.75 2woh s GLU 431 Ca -0.03 0.83 -0.04 0.00 0.36 0.00 0.00 54.97 56.09 2woh s GLU 431 Cb -0.04 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.40 2woh s GLU 431 CO -0.03 0.45 0.10 -0.98 -0.54 0.00 0.00 175.26 174.26 2woh s ARG 432 N -1.81 0.21 0.09 4.30 1.70 0.05 -4.97 118.95 118.52 2woh s ARG 432 Ca 0.40 -0.03 -0.31 0.00 -0.47 0.00 0.00 55.73 55.32 2woh s ARG 432 Cb -0.17 0.09 -0.07 0.00 -0.57 0.00 0.00 34.95 34.23 2woh s ARG 432 CO 0.21 -0.04 1.38 -0.47 -1.08 0.00 0.00 175.30 175.30 2woh s TYR 433 N -0.36 3.19 -0.35 5.89 5.04 -1.26 -1.59 117.35 127.90 2woh s TYR 433 Ca -0.04 0.95 0.14 0.00 -2.44 0.00 0.00 57.07 55.68 2woh s TYR 433 Cb -0.03 -3.66 0.45 0.00 0.35 0.00 0.00 41.96 39.07 2woh s TYR 433 CO 0.00 -2.32 1.02 0.00 -1.34 0.00 0.00 175.55 172.91 2woh n ALA 434 N 4.19 3.91 -0.05 3.97 0.00 -0.43 -4.96 120.51 127.16 2woh n ALA 434 Ca 0.12 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 50.07 2woh n ALA 434 Cb 0.43 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 2woh n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2woh n GLY 435 N -0.26 -2.20 3.71 0.00 0.00 -1.26 -4.63 105.19 100.55 2woh n GLY 435 Ca 0.19 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2woh n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2woh s PRO 436 N -0.72 4.27 0.12 1.61 0.04 -1.26 0.12 135.00 139.18 2woh s PRO 436 Ca 0.00 2.19 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 2woh s PRO 436 Cb 0.00 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2woh s PRO 436 CO 0.00 -0.53 1.75 1.49 0.04 0.00 0.00 177.00 179.75 2woh h GLU 437 N 6.99 0.34 -3.01 4.56 4.57 -1.13 -3.42 114.58 123.49 2woh h GLU 437 Ca -0.42 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 57.77 2woh h GLU 437 Cb 1.20 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 2woh h GLU 437 CO 0.89 0.27 0.22 1.52 -1.18 0.00 0.00 179.01 180.73 2woh s TYR 438 N -5.99 -0.28 -0.25 0.92 -0.85 -1.25 -4.97 117.35 104.68 2woh s TYR 438 Ca -0.13 -0.11 -0.24 0.00 -0.52 0.00 0.00 57.07 56.07 2woh s TYR 438 Cb 0.09 0.66 0.07 0.00 0.38 0.00 0.00 41.96 43.15 2woh s TYR 438 CO 0.70 -1.12 0.69 0.21 -1.52 0.00 0.00 175.55 174.51 2woh s LYS 439 N -3.87 0.82 -0.07 -3.49 2.20 -1.26 -2.78 119.74 111.28 2woh s LYS 439 Ca 0.08 0.92 -0.03 0.00 -0.36 0.00 0.00 55.97 56.58 2woh s LYS 439 Cb -0.04 0.40 0.04 0.00 -1.51 0.00 0.00 37.83 36.71 2woh s LYS 439 CO 0.01 -0.11 0.16 -1.58 -0.36 0.00 0.00 175.35 173.48 2woh s HIS 440 N 0.29 -0.19 -0.75 4.03 2.46 -0.37 -5.02 115.29 115.73 2woh s HIS 440 Ca -0.01 0.55 0.00 0.00 0.47 0.00 0.00 55.06 56.07 2woh s HIS 440 Cb -0.05 -0.08 0.19 0.00 -0.13 0.00 0.00 32.58 32.51 2woh s HIS 440 CO 0.01 -0.19 0.58 -1.14 -2.47 0.00 0.00 174.74 171.54 2woh s GLN 441 N 1.31 2.79 0.25 2.88 2.00 -1.26 -1.65 119.66 125.98 2woh s GLN 441 Ca -0.08 -3.08 -0.30 0.00 -2.00 0.00 0.00 55.36 49.90 2woh s GLN 441 Cb -0.11 -3.71 -0.11 0.00 0.80 0.00 0.00 33.01 29.87 2woh s GLN 441 CO -0.06 -1.24 1.58 -2.00 -0.50 0.00 0.00 175.29 173.07 2woh s GLU 442 N -1.00 4.16 0.16 1.67 2.56 -1.26 -4.88 118.70 120.10 2woh s GLU 442 Ca 0.23 2.50 -0.34 0.00 0.00 0.00 0.00 54.97 57.36 2woh s GLU 442 Cb -0.11 -3.07 -0.14 0.00 2.00 0.00 0.00 34.13 32.81 2woh s GLU 442 CO -0.10 -0.60 1.53 -0.12 -0.56 0.00 0.00 175.26 175.40 2woh n MET 443 N 2.72 2.00 -0.20 4.30 0.00 -1.26 -1.14 117.12 123.53 2woh n MET 443 Ca 0.10 0.72 0.00 0.00 -0.00 0.00 0.00 57.70 58.52 2woh n MET 443 Cb 0.38 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 31.14 2woh n MET 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2woh n GLY 444 N 3.18 2.56 3.81 -5.12 0.00 -1.26 -5.00 105.19 103.35 2woh n GLY 444 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2woh n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2woh s GLN 445 N -0.00 2.62 0.24 1.61 -1.52 -0.29 -5.08 119.66 117.23 2woh s GLN 445 Ca 0.00 -1.36 -0.30 0.00 -1.95 0.00 0.00 55.36 51.74 2woh s GLN 445 Cb 0.00 -2.39 -0.10 0.00 -0.22 0.00 0.00 33.01 30.30 2woh s GLN 445 CO 0.00 0.11 1.49 -2.14 -0.25 0.00 0.00 175.29 174.50 2woh s PRO 446 N -3.94 4.23 0.84 2.91 0.02 -1.26 -4.69 135.00 133.11 2woh s PRO 446 Ca 0.40 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.64 2woh s PRO 446 Cb -0.05 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.42 2woh s PRO 446 CO 0.25 -0.49 0.83 -1.71 -0.33 0.00 0.00 177.00 175.55 2woh n ASN 447 N 2.64 -0.39 -3.86 2.53 5.15 -1.26 -4.70 115.26 115.37 2woh n ASN 447 Ca 0.08 0.50 -0.28 0.00 -0.60 0.00 0.00 54.58 54.29 2woh n ASN 447 Cb 0.39 -1.36 -0.16 0.00 -0.53 0.00 0.00 39.78 38.12 2woh n ASN 447 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2woh s VAL 448 N -2.20 0.98 -0.05 3.44 1.01 -0.66 -5.02 120.40 117.90 2woh s VAL 448 Ca 0.66 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2woh s VAL 448 Cb -0.28 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2woh s VAL 448 CO 0.58 0.07 0.13 -0.44 0.00 0.00 0.00 175.10 175.44 2woh s SER 449 N 1.68 -0.14 0.13 3.32 0.01 -1.26 -1.24 113.70 116.20 2woh s SER 449 Ca 0.00 0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.59 2woh s SER 449 Cb -0.15 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2woh s SER 449 CO -0.07 -0.05 -0.15 0.42 0.41 0.00 0.00 173.24 173.80 2woh s THR 450 N 0.07 1.41 0.20 1.44 -4.23 -1.12 -5.04 115.64 108.36 2woh s THR 450 Ca -0.00 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 2woh s THR 450 Cb -0.01 -1.58 -0.07 0.00 1.34 0.00 0.00 72.50 72.19 2woh s THR 450 CO 0.00 -0.39 0.53 -1.83 -0.54 0.00 0.00 174.62 172.39 2woh s GLU 451 N -2.67 3.84 -0.04 3.99 -1.05 -1.26 -0.76 118.70 120.74 2woh s GLU 451 Ca 0.10 0.31 -0.16 0.00 -0.15 0.00 0.00 54.97 55.07 2woh s GLU 451 Cb -0.05 -2.75 -0.05 0.00 -0.44 0.00 0.00 34.13 30.84 2woh s GLU 451 CO 0.04 0.38 0.44 0.50 0.95 0.00 0.00 175.26 177.56 2woh s ARG 452 N -2.53 4.11 -0.04 -4.83 3.52 0.32 -4.26 118.95 115.24 2woh s ARG 452 Ca 0.44 0.43 0.06 0.00 -0.13 0.00 0.00 55.73 56.53 2woh s ARG 452 Cb -0.12 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2woh s ARG 452 CO 0.21 0.47 -0.24 1.03 -0.81 0.00 0.00 175.30 175.96 2woh s ARG 453 N -0.39 2.22 -0.05 5.12 1.81 -1.26 -1.31 118.95 125.08 2woh s ARG 453 Ca 0.24 -0.85 0.05 0.00 -1.72 0.00 0.00 55.73 53.45 2woh s ARG 453 Cb -0.16 -1.98 -0.00 0.00 -0.45 0.00 0.00 34.95 32.36 2woh s ARG 453 CO 0.12 0.42 -0.20 -1.21 -0.68 0.00 0.00 175.30 173.75 2woh s GLU 454 N -0.29 2.11 -0.15 3.54 2.02 -0.62 -2.95 118.70 122.36 2woh s GLU 454 Ca 0.01 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 54.10 2woh s GLU 454 Cb -0.12 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 2woh s GLU 454 CO 0.02 0.27 0.50 -1.17 0.02 0.00 0.00 175.26 174.90 2woh s LEU 455 N 0.02 4.22 -0.07 1.80 2.96 -0.75 -0.77 118.68 126.09 2woh s LEU 455 Ca -0.05 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 2woh s LEU 455 Cb -0.13 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 2woh s LEU 455 CO 0.03 -0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.16 2woh s VAL 456 N 1.09 3.22 -0.30 1.68 1.01 0.30 -0.62 120.40 126.78 2woh s VAL 456 Ca 0.25 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2woh s VAL 456 Cb -0.15 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2woh s VAL 456 CO 0.10 0.58 -0.02 -0.69 0.00 0.00 0.00 175.10 175.07 2woh s VAL 457 N -0.50 2.87 -0.07 2.92 1.01 0.50 -1.59 120.40 125.53 2woh s VAL 457 Ca 0.07 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.65 2woh s VAL 457 Cb -0.12 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2woh s VAL 457 CO 0.02 -0.10 -0.16 -0.60 0.00 0.00 0.00 175.10 174.26 2woh s ARG 458 N 1.23 2.75 -0.00 2.72 3.52 0.94 -0.91 118.95 129.19 2woh s ARG 458 Ca -0.06 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 2woh s ARG 458 Cb -0.20 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 2woh s ARG 458 CO -0.02 0.47 -0.01 -0.46 -0.81 0.00 0.00 175.30 174.47 2woh s TRP 459 N -0.34 0.14 -0.09 5.12 -0.00 -0.56 -0.41 118.94 122.79 2woh s TRP 459 Ca 0.03 -0.02 0.02 0.00 -0.00 0.00 0.00 56.10 56.14 2woh s TRP 459 Cb -0.13 -0.10 0.01 0.00 -0.00 0.00 0.00 33.47 33.25 2woh s TRP 459 CO 0.02 -0.01 -0.16 0.42 -0.00 0.00 0.00 176.95 177.22 2woh s ILE 460 N 0.05 1.49 -0.00 5.86 1.01 -1.26 -0.75 121.20 127.60 2woh s ILE 460 Ca -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.04 2woh s ILE 460 Cb -0.02 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2woh s ILE 460 CO -0.00 0.44 -0.19 -0.55 0.00 0.00 0.00 174.94 174.64 2woh s SER 461 N 0.72 2.23 -0.05 3.58 0.15 -0.70 0.00 113.70 119.63 2woh s SER 461 Ca -0.12 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2woh s SER 461 Cb -0.16 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.91 2woh s SER 461 CO 0.03 0.21 -0.23 -0.89 1.20 0.00 0.00 173.24 173.56 2woh s THR 462 N -0.51 1.91 -0.33 6.45 2.01 -1.06 -1.23 115.64 122.87 2woh s THR 462 Ca 0.07 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 2woh s THR 462 Cb -0.07 -1.62 0.11 0.00 0.01 0.00 0.00 72.50 70.93 2woh s THR 462 CO -0.00 0.53 0.15 -0.69 -0.69 0.00 0.00 174.62 173.92 2woh s VAL 463 N -0.14 0.59 0.00 3.82 1.01 -1.26 -4.81 120.40 119.62 2woh s VAL 463 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2woh s VAL 463 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2woh s VAL 463 CO 0.03 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.95 2woh n GLY 464 N 4.57 1.62 2.62 4.51 0.00 -1.26 -4.85 105.19 112.41 2woh n GLY 464 Ca 0.02 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2woh n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2woh n ASN 465 N 10.90 7.29 -3.24 1.61 6.94 -1.26 -5.01 115.26 132.49 2woh n ASN 465 Ca 0.00 -3.44 0.04 0.00 -0.02 0.00 0.00 54.58 51.15 2woh n ASN 465 Cb 0.00 -1.21 -0.03 0.00 -2.36 0.00 0.00 39.78 36.18 2woh n ASN 465 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2woh s ASP 467 N -0.33 -0.41 -0.05 0.53 1.11 -0.19 -1.74 116.67 115.58 2woh s ASP 467 Ca 0.52 0.42 0.01 0.00 0.18 0.00 0.00 52.55 53.68 2woh s ASP 467 Cb 0.31 1.41 -0.03 0.00 1.07 0.00 0.00 42.92 45.68 2woh s ASP 467 CO -0.22 -0.08 -0.04 -0.31 1.18 0.00 0.00 175.17 175.70 2woh s TYR 468 N 2.58 3.01 -0.05 4.23 2.02 -0.37 -0.93 117.35 127.83 2woh s TYR 468 Ca -0.01 0.07 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 2woh s TYR 468 Cb -0.07 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2woh s TYR 468 CO -0.14 0.39 -0.22 0.42 -1.57 0.00 0.00 175.55 174.43 2woh s ILE 469 N -0.90 1.78 -0.10 2.71 1.01 0.61 -1.71 121.20 124.60 2woh s ILE 469 Ca 0.14 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2woh s ILE 469 Cb -0.11 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2woh s ILE 469 CO 0.04 0.50 -0.17 -0.36 0.00 0.00 0.00 174.94 174.95 2woh s PHE 470 N -0.08 2.06 -0.18 3.97 0.40 0.07 0.14 117.98 124.36 2woh s PHE 470 Ca -0.04 -0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 55.35 2woh s PHE 470 Cb -0.13 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 2woh s PHE 470 CO 0.03 -0.45 -0.08 -0.51 0.70 0.00 0.00 175.22 174.92 2woh s ASP 471 N 0.80 4.22 -0.30 1.36 1.01 0.21 -1.50 116.67 122.48 2woh s ASP 471 Ca -0.10 -0.34 -0.10 0.00 0.71 0.00 0.00 52.55 52.71 2woh s ASP 471 Cb -0.16 -1.69 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 2woh s ASP 471 CO 0.01 0.07 0.16 0.26 0.21 0.00 0.00 175.17 175.88 2woh s TRP 472 N 0.94 3.18 -0.19 4.23 0.52 -0.09 -1.42 118.94 126.11 2woh s TRP 472 Ca -0.01 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 2woh s TRP 472 Cb -0.15 -2.36 0.01 0.00 -1.15 0.00 0.00 33.47 29.83 2woh s TRP 472 CO 0.00 -0.39 -0.14 0.42 0.02 0.00 0.00 176.95 176.86 2woh s ILE 473 N 1.65 2.55 -0.37 2.03 1.01 0.74 -0.37 121.20 128.43 2woh s ILE 473 Ca 0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 2woh s ILE 473 Cb -0.17 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.25 2woh s ILE 473 CO 0.07 0.50 0.17 -0.36 0.00 0.00 0.00 174.94 175.32 2woh s PHE 474 N 1.32 3.30 0.25 3.97 0.08 0.21 -0.01 117.98 127.10 2woh s PHE 474 Ca 0.05 -1.45 -0.30 0.00 0.12 0.00 0.00 56.93 55.35 2woh s PHE 474 Cb -0.14 -2.56 -0.09 0.00 -0.57 0.00 0.00 43.02 39.67 2woh s PHE 474 CO -0.09 -0.77 1.02 -1.01 -0.10 0.00 0.00 175.22 174.27 2woh s HIS 475 N 1.42 3.79 0.56 0.36 3.76 0.13 -1.80 115.29 123.51 2woh s HIS 475 Ca 0.01 1.81 0.26 0.00 -0.15 0.00 0.00 55.06 56.99 2woh s HIS 475 Cb -0.21 -3.13 1.50 0.00 1.11 0.00 0.00 32.58 31.86 2woh s HIS 475 CO 0.03 -0.04 2.04 1.49 -0.85 0.00 0.00 174.74 177.40 2woh h GLU 476 N 4.09 0.00 -0.24 1.40 4.81 -1.83 -1.36 114.58 121.44 2woh h GLU 476 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2woh h GLU 476 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2woh h GLU 476 CO 0.68 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.23 2woh n ASN 477 N -4.06 1.28 0.00 1.04 0.23 -1.26 -4.86 115.26 107.63 2woh n ASN 477 Ca 0.05 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 2woh n ASN 477 Cb 0.46 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2woh n ASN 477 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2woh n GLY 478 N 0.89 0.16 3.78 4.83 0.00 -0.51 -4.77 105.19 109.57 2woh n GLY 478 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2woh n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2woh s THR 479 N -2.00 3.85 -0.11 2.61 2.01 -1.25 -4.47 115.64 116.28 2woh s THR 479 Ca 0.00 1.55 0.03 0.00 0.31 0.00 0.00 61.69 63.59 2woh s THR 479 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2woh s THR 479 CO 0.00 0.14 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.21 2woh s ILE 480 N -1.53 2.07 0.13 1.82 1.01 -0.16 -0.69 121.20 123.84 2woh s ILE 480 Ca 0.52 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 60.23 2woh s ILE 480 Cb -0.23 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2woh s ILE 480 CO 0.29 0.56 -0.03 -0.83 0.00 0.00 0.00 174.94 174.92 2woh s GLY 481 N 0.50 1.81 -0.17 6.18 0.00 0.99 -0.13 107.32 116.48 2woh s GLY 481 Ca -0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 2woh s GLY 481 CO 0.05 -1.25 0.08 -0.42 0.00 0.00 0.00 173.10 171.57 2woh s ILE 482 N -1.44 0.02 0.03 0.90 1.01 -0.60 -0.18 121.20 120.95 2woh s ILE 482 Ca 0.25 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2woh s ILE 482 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2woh s ILE 482 CO 0.17 -0.27 -0.07 -1.81 0.00 0.00 0.00 174.94 172.96 2woh s ASP 483 N 2.09 4.61 -0.11 3.58 1.01 -0.51 -1.42 116.67 125.91 2woh s ASP 483 Ca 0.01 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.10 2woh s ASP 483 Cb -0.16 -1.03 0.01 0.00 1.01 0.00 0.00 42.92 42.74 2woh s ASP 483 CO -0.09 0.25 -0.20 0.00 0.21 0.00 0.00 175.17 175.34 2woh s ALA 484 N -1.08 1.99 0.02 5.23 0.00 -0.62 -0.61 121.76 126.68 2woh s ALA 484 Ca 0.19 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2woh s ALA 484 Cb -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2woh s ALA 484 CO 0.10 0.10 -0.03 0.20 0.00 0.00 0.00 175.76 176.14 2woh s GLY 485 N 0.64 1.84 -0.10 0.00 0.00 0.38 -1.56 107.32 108.53 2woh s GLY 485 Ca -0.13 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.59 2woh s GLY 485 CO 0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 173.10 172.13 2woh s ALA 486 N -1.09 1.35 0.01 3.20 0.00 0.64 -0.29 121.76 125.58 2woh s ALA 486 Ca 0.20 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 2woh s ALA 486 Cb -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2woh s ALA 486 CO 0.11 -0.19 0.02 -2.37 0.00 0.00 0.00 175.76 173.32 2woh n THR 487 N 4.46 0.00 0.00 0.00 5.66 -0.11 -1.34 114.28 122.94 2woh n THR 487 Ca -0.17 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2woh n THR 487 Cb 0.51 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2woh n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2woh n GLY 488 N -0.02 -0.47 3.79 1.09 0.00 -1.25 -1.02 105.19 107.30 2woh n GLY 488 Ca 0.00 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 2woh n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2woh s ILE 489 N 0.00 4.61 0.20 -0.61 -1.09 -0.71 -1.29 121.20 122.31 2woh s ILE 489 Ca 0.00 -0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 57.49 2woh s ILE 489 Cb 0.00 -3.22 -0.08 0.00 -1.58 0.00 0.00 42.46 37.58 2woh s ILE 489 CO 0.00 0.13 0.71 -1.61 -1.23 0.00 0.00 174.94 172.94 2woh s GLU 490 N -2.39 4.26 -0.50 2.79 2.02 -1.26 -4.75 118.70 118.86 2woh s GLU 490 Ca 0.30 0.86 -0.28 0.00 0.02 0.00 0.00 54.97 55.87 2woh s GLU 490 Cb -0.12 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2woh s GLU 490 CO 0.22 0.43 1.52 0.00 0.02 0.00 0.00 175.26 177.45 2woh s ALA 491 N -1.46 2.79 0.16 5.21 0.00 -1.26 -4.90 121.76 122.30 2woh s ALA 491 Ca 0.41 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2woh s ALA 491 Cb -0.17 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 2woh s ALA 491 CO 0.21 -2.88 0.17 0.14 0.00 0.00 0.00 175.76 173.40 2woh s VAL 492 N 6.38 4.69 -0.18 0.00 -7.23 -1.26 -4.04 120.40 118.77 2woh s VAL 492 Ca 0.60 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2woh s VAL 492 Cb -0.13 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 2woh s VAL 492 CO 0.27 -0.10 0.05 -0.75 -0.31 0.00 0.00 175.10 174.26 2woh s LYS 493 N -3.11 3.92 0.08 4.82 2.20 0.45 -4.82 119.74 123.27 2woh s LYS 493 Ca 0.32 -0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 2woh s LYS 493 Cb -0.10 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.99 2woh s LYS 493 CO 0.25 0.28 1.26 0.20 -0.36 0.00 0.00 175.35 176.98 2woh s GLY 494 N 0.33 2.26 0.18 5.54 0.00 -1.26 -1.48 107.32 112.89 2woh s GLY 494 Ca 0.02 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 45.67 2woh s GLY 494 CO 0.01 2.14 0.10 -1.34 0.00 0.00 0.00 173.10 174.00 2woh s VAL 495 N 1.07 0.12 -0.21 1.40 -7.23 -0.45 -4.87 120.40 110.22 2woh s VAL 495 Ca 0.61 -1.97 0.17 0.00 -1.81 0.00 0.00 61.98 58.98 2woh s VAL 495 Cb -0.32 -2.36 0.08 0.00 0.56 0.00 0.00 36.38 34.34 2woh s VAL 495 CO 0.30 -0.17 1.34 0.11 -0.31 0.00 0.00 175.10 176.37 2woh h LYS 496 N 2.68 0.00 -6.52 4.82 1.57 -1.94 -3.40 116.57 113.78 2woh h LYS 496 Ca -0.36 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.89 2woh h LYS 496 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2woh h LYS 496 CO 0.56 0.33 0.43 0.00 -0.57 0.00 0.00 179.45 180.20 2woh s ALA 497 N -3.03 3.27 0.01 3.86 0.00 -1.26 -4.82 121.76 119.79 2woh s ALA 497 Ca 0.03 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2woh s ALA 497 Cb 0.07 -3.35 -0.27 0.00 0.00 0.00 0.00 23.12 19.58 2woh s ALA 497 CO 0.75 -0.21 0.88 0.87 0.00 0.00 0.00 175.76 178.05 2woh h LYS 498 N 6.12 0.22 -4.38 0.00 1.57 -1.93 -0.12 116.57 118.05 2woh h LYS 498 Ca -0.42 -0.37 -0.24 0.00 -1.87 0.00 0.00 60.65 57.75 2woh h LYS 498 Cb 1.21 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 2woh h LYS 498 CO 0.75 1.07 -0.45 0.95 -0.57 0.00 0.00 179.45 181.20 2woh s THR 499 N -2.62 0.00 -1.09 -0.16 -4.23 -1.26 -4.20 115.64 102.08 2woh s THR 499 Ca -0.08 -1.83 0.11 0.00 -1.18 0.00 0.00 61.69 58.71 2woh s THR 499 Cb 0.07 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.57 2woh s THR 499 CO 0.85 0.00 1.32 0.23 -0.54 0.00 0.00 174.62 176.48 2woh n MET 500 N -0.37 0.03 0.09 3.99 2.81 -1.26 -2.13 117.12 120.28 2woh n MET 500 Ca 0.02 0.29 0.01 0.00 -1.81 0.00 0.00 57.70 56.20 2woh n MET 500 Cb 0.64 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.62 2woh n MET 500 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2woh h HIS 501 N 0.00 0.00 -4.21 2.03 3.86 -1.98 -3.44 115.15 111.40 2woh h HIS 501 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2woh h HIS 501 Cb 0.17 0.00 0.16 0.00 1.06 0.00 0.00 27.41 28.79 2woh h HIS 501 CO 0.00 0.56 0.34 -0.51 0.86 0.00 0.00 177.93 179.19 2woh s ASP 502 N -6.16 4.00 0.30 2.45 1.01 -0.91 -4.92 116.67 112.45 2woh s ASP 502 Ca 0.01 2.23 -0.02 0.00 0.71 0.00 0.00 52.55 55.48 2woh s ASP 502 Cb 0.08 -2.57 0.44 0.00 1.01 0.00 0.00 42.92 41.88 2woh s ASP 502 CO 0.78 -2.39 1.96 -0.33 0.21 0.00 0.00 175.17 175.40 2woh h GLU 503 N -0.72 1.07 -0.33 8.23 5.08 -1.90 -2.17 114.58 123.83 2woh h GLU 503 Ca -0.46 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2woh h GLU 503 Cb 1.28 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2woh h GLU 503 CO 0.48 0.72 0.00 0.25 -1.00 0.00 0.00 179.01 179.46 2woh n THR 504 N -4.40 0.43 -0.15 1.13 -2.24 -1.26 -4.42 114.28 103.37 2woh n THR 504 Ca 0.09 -0.52 -0.05 0.00 -2.27 0.00 0.00 64.05 61.30 2woh n THR 504 Cb 0.04 0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 2woh n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2woh h ALA 505 N 4.00 0.59 -0.62 6.98 0.00 -1.66 0.23 119.26 128.77 2woh h ALA 505 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2woh h ALA 505 Cb 0.61 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2woh h ALA 505 CO 0.00 -0.16 0.26 -0.22 0.00 0.00 0.00 179.25 179.13 2woh h LYS 506 N 0.42 0.93 -0.31 0.00 3.64 -1.81 -1.59 116.57 117.85 2woh h LYS 506 Ca 0.21 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2woh h LYS 506 Cb 0.16 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2woh h LYS 506 CO -0.18 0.78 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.93 2woh h ASP 507 N 0.87 0.89 0.57 4.20 3.32 -1.74 -3.05 116.42 121.49 2woh h ASP 507 Ca 0.21 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 2woh h ASP 507 Cb 0.19 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2woh h ASP 507 CO -0.02 1.22 -0.11 0.44 -1.72 0.00 0.00 179.24 179.05 2woh h ASP 508 N 0.59 0.00 -0.37 6.45 3.32 -0.35 -3.06 116.42 123.01 2woh h ASP 508 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2woh h ASP 508 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2woh h ASP 508 CO 0.10 0.11 0.00 0.35 -1.72 0.00 0.00 179.24 178.07 2woh n THR 509 N -3.42 1.61 0.25 0.35 -2.24 -0.62 -4.54 114.28 105.67 2woh n THR 509 Ca -0.01 -1.35 0.11 0.00 -2.27 0.00 0.00 64.05 60.53 2woh n THR 509 Cb 0.27 0.16 0.64 0.00 -2.10 0.00 0.00 70.33 69.31 2woh n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2woh h ARG 510 N 2.30 0.00 0.00 -0.78 2.43 -1.43 -3.06 114.38 113.85 2woh h ARG 510 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2woh h ARG 510 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2woh h ARG 510 CO 0.12 0.16 -0.01 0.66 -1.51 0.00 0.00 179.97 179.39 2woh n TYR 511 N -3.59 0.00 0.00 2.20 4.01 -1.26 -5.07 117.16 113.45 2woh n TYR 511 Ca -0.01 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 2woh n TYR 511 Cb 0.30 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2woh n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2woh n GLY 512 N -0.65 0.82 3.83 2.72 0.00 -1.16 -0.80 105.19 109.95 2woh n GLY 512 Ca 0.03 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2woh n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2woh s THR 513 N -2.00 4.57 -0.66 2.61 2.01 -1.19 -4.29 115.64 116.69 2woh s THR 513 Ca 0.00 1.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 2woh s THR 513 Cb 0.00 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.80 2woh s THR 513 CO 0.00 0.02 1.08 -0.22 -0.69 0.00 0.00 174.62 174.81 2woh s LEU 514 N -2.43 3.88 0.00 4.42 2.96 -1.26 -0.38 118.68 125.87 2woh s LEU 514 Ca 0.49 -0.65 0.22 0.00 -0.22 0.00 0.00 54.13 53.97 2woh s LEU 514 Cb -0.14 -2.57 0.07 0.00 0.50 0.00 0.00 46.19 44.05 2woh s LEU 514 CO 0.19 -1.54 1.12 2.30 -1.32 0.00 0.00 176.35 177.10 2woh n ILE 515 N 6.16 0.00 -3.58 6.68 -5.35 -0.76 -4.78 119.36 117.72 2woh n ILE 515 Ca -0.00 -0.36 -0.06 0.00 -0.27 0.00 0.00 62.75 62.06 2woh n ILE 515 Cb 0.47 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.69 2woh n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2woh s ASP 516 N -2.20 -0.20 -0.25 7.28 2.15 -1.11 -4.54 116.67 117.82 2woh s ASP 516 Ca 0.21 0.07 -0.41 0.00 0.43 0.00 0.00 52.55 52.85 2woh s ASP 516 Cb 0.18 0.19 -0.17 0.00 -0.30 0.00 0.00 42.92 42.82 2woh s ASP 516 CO 0.44 -0.29 1.59 1.41 -0.17 0.00 0.00 175.17 178.16 2woh n HIS 517 N 0.09 1.79 -0.95 -5.34 8.25 -1.26 0.02 115.22 117.82 2woh n HIS 517 Ca -0.03 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 2woh n HIS 517 Cb 0.59 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 29.34 2woh n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2woh n ASN 518 N 4.30 -3.95 -4.00 0.41 5.03 -0.06 -4.96 115.26 112.02 2woh n ASN 518 Ca 0.26 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.44 2woh n ASN 518 Cb 0.09 -2.15 -0.17 0.00 -1.02 0.00 0.00 39.78 36.53 2woh n ASN 518 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2woh s ILE 519 N -1.54 1.24 -0.06 2.41 1.01 0.10 -1.35 121.20 123.02 2woh s ILE 519 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2woh s ILE 519 Cb 0.00 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2woh s ILE 519 CO 0.00 0.39 -0.18 -0.69 0.00 0.00 0.00 174.94 174.46 2woh s VAL 520 N 1.08 2.68 -0.86 2.92 1.01 -0.55 -1.84 120.40 124.84 2woh s VAL 520 Ca -0.06 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 2woh s VAL 520 Cb -0.15 -2.03 0.13 0.00 0.00 0.00 0.00 36.38 34.33 2woh s VAL 520 CO -0.02 0.57 1.04 -0.83 0.00 0.00 0.00 175.10 175.87 2woh s GLY 521 N -0.42 1.89 -0.00 4.51 0.00 0.49 -0.41 107.32 113.37 2woh s GLY 521 Ca 0.05 -2.64 -0.32 0.00 0.00 0.00 0.00 44.72 41.81 2woh s GLY 521 CO 0.02 1.93 1.93 2.41 0.00 0.00 0.00 173.10 179.39 2woh n THR 522 N 5.45 0.68 -1.55 0.90 -1.04 -1.26 -3.18 114.28 114.28 2woh n THR 522 Ca 0.17 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 2woh n THR 522 Cb 0.48 -2.14 0.01 0.00 -1.82 0.00 0.00 70.33 66.87 2woh n THR 522 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2woh n THR 523 N 5.34 2.31 -3.74 12.58 -1.04 0.02 -4.90 114.28 124.85 2woh n THR 523 Ca 0.21 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.67 2woh n THR 523 Cb 0.36 -0.91 0.02 0.00 -1.82 0.00 0.00 70.33 67.98 2woh n THR 523 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2woh n HIS 524 N -0.76 -1.58 -4.23 -1.42 1.44 -1.17 -2.65 115.22 104.84 2woh n HIS 524 Ca 0.11 -1.23 -0.17 0.00 -2.01 0.00 0.00 57.72 54.43 2woh n HIS 524 Cb 0.40 0.60 -0.11 0.00 0.12 0.00 0.00 29.99 31.01 2woh n HIS 524 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2woh s GLN 525 N -2.05 1.01 -0.19 -1.40 -0.21 -0.82 -0.21 119.66 115.79 2woh s GLN 525 Ca 0.16 -1.28 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 2woh s GLN 525 Cb -0.03 -0.79 0.00 0.00 1.00 0.00 0.00 33.01 33.20 2woh s GLN 525 CO 0.07 0.14 -0.12 -1.01 -2.12 0.00 0.00 175.29 172.24 2woh s HIS 526 N -2.46 2.86 -0.27 0.91 3.76 -0.75 -3.28 115.29 116.06 2woh s HIS 526 Ca 0.10 -1.21 0.02 0.00 -0.15 0.00 0.00 55.06 53.82 2woh s HIS 526 Cb -0.03 -2.00 0.07 0.00 1.11 0.00 0.00 32.58 31.73 2woh s HIS 526 CO 0.02 -0.63 -0.06 0.42 -0.85 0.00 0.00 174.74 173.65 2woh s ILE 527 N 1.28 1.91 0.11 0.60 1.01 0.13 -0.95 121.20 125.29 2woh s ILE 527 Ca 0.03 -1.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 2woh s ILE 527 Cb -0.14 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 2woh s ILE 527 CO -0.06 -0.17 0.32 -0.31 0.00 0.00 0.00 174.94 174.71 2woh s TYR 528 N 1.19 3.50 -0.05 3.97 2.02 0.22 -1.39 117.35 126.81 2woh s TYR 528 Ca -0.04 0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 57.12 2woh s TYR 528 Cb -0.19 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 2woh s TYR 528 CO -0.07 0.49 0.09 1.21 -1.57 0.00 0.00 175.55 175.70 2woh s ASN 529 N -2.38 0.25 -0.17 2.29 3.84 -0.63 -0.74 114.94 117.40 2woh s ASN 529 Ca 0.38 0.16 -0.03 0.00 0.21 0.00 0.00 52.86 53.58 2woh s ASN 529 Cb -0.12 0.04 -0.02 0.00 -0.55 0.00 0.00 41.25 40.60 2woh s ASN 529 CO 0.25 -0.17 -0.06 -0.36 -2.79 0.00 0.00 177.10 173.97 2woh s PHE 530 N 1.42 2.95 -0.39 0.43 0.08 -0.10 0.42 117.98 122.79 2woh s PHE 530 Ca -0.06 -0.57 -0.20 0.00 0.12 0.00 0.00 56.93 56.22 2woh s PHE 530 Cb -0.12 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2woh s PHE 530 CO -0.04 -0.24 0.64 0.50 -0.10 0.00 0.00 175.22 175.97 2woh s ARG 531 N 0.74 3.53 -0.38 0.44 3.52 -0.78 -1.21 118.95 124.81 2woh s ARG 531 Ca -0.03 -0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 2woh s ARG 531 Cb -0.15 -3.86 0.11 0.00 -1.56 0.00 0.00 34.95 29.49 2woh s ARG 531 CO 0.02 -0.84 0.11 -0.51 -0.81 0.00 0.00 175.30 173.27 2woh s LEU 532 N 2.75 4.32 -1.32 -0.88 1.43 0.37 -2.38 118.68 122.96 2woh s LEU 532 Ca 0.24 -2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 50.85 2woh s LEU 532 Cb -0.14 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2woh s LEU 532 CO 0.16 -0.35 2.03 -0.67 0.23 0.00 0.00 176.35 177.76 2woh n ASP 533 N 4.02 4.00 -4.76 2.29 2.03 0.92 -0.61 116.55 124.45 2woh n ASP 533 Ca 0.04 -2.84 -0.41 0.00 0.52 0.00 0.00 54.79 52.10 2woh n ASP 533 Cb 0.39 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 2woh n ASP 533 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2woh s LEU 534 N 3.21 4.45 -0.50 -2.67 1.43 -1.26 -0.85 118.68 122.48 2woh s LEU 534 Ca 0.51 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 56.21 2woh s LEU 534 Cb 0.10 -3.64 0.14 0.00 0.03 0.00 0.00 46.19 42.83 2woh s LEU 534 CO -0.00 -0.46 0.30 -1.81 0.23 0.00 0.00 176.35 174.61 2woh s ASP 535 N -0.43 3.81 -0.65 2.29 1.01 -0.79 -4.56 116.67 117.34 2woh s ASP 535 Ca 0.49 -2.97 -0.26 0.00 0.71 0.00 0.00 52.55 50.53 2woh s ASP 535 Cb -0.38 -1.22 -0.04 0.00 1.01 0.00 0.00 42.92 42.29 2woh s ASP 535 CO 0.48 -0.22 1.97 -0.69 0.21 0.00 0.00 175.17 176.92 2woh s VAL 536 N -0.13 3.31 -1.58 -1.27 1.01 -1.26 -2.77 120.40 117.71 2woh s VAL 536 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2woh s VAL 536 Cb -0.19 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2woh s VAL 536 CO -0.05 -0.77 0.00 -0.67 0.00 0.00 0.00 175.10 173.61 2woh n ASP 537 N 13.58 -4.38 0.00 3.32 -0.08 0.10 -4.55 116.55 124.54 2woh n ASP 537 Ca 0.27 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 2woh n ASP 537 Cb 0.51 -3.88 0.00 0.00 2.34 0.00 0.00 41.12 40.09 2woh n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2woh n GLY 538 N -0.49 4.09 0.30 0.27 0.00 -1.11 -4.80 105.19 103.45 2woh n GLY 538 Ca -0.17 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2woh n GLY 538 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2woh h GLU 539 N 0.00 -0.35 -6.44 1.61 4.81 -1.85 -3.42 114.58 108.94 2woh h GLU 539 Ca 0.00 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.68 2woh h GLU 539 Cb 0.00 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 2woh h GLU 539 CO 0.00 -0.23 0.85 -0.80 -0.73 0.00 0.00 179.01 178.09 2woh s ASN 540 N -4.94 6.48 0.32 1.04 0.01 -1.26 -2.85 114.94 113.74 2woh s ASN 540 Ca -0.15 0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 2woh s ASN 540 Cb 0.10 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 2woh s ASN 540 CO 0.66 -1.33 0.01 0.20 -1.51 0.00 0.00 177.10 175.14 2woh s ASN 541 N 2.72 2.68 0.05 -1.22 0.02 -0.77 -4.41 114.94 114.02 2woh s ASN 541 Ca 0.41 -1.31 0.04 0.00 -1.02 0.00 0.00 52.86 50.99 2woh s ASN 541 Cb -0.08 -0.15 -0.03 0.00 0.02 0.00 0.00 41.25 41.01 2woh s ASN 541 CO 0.26 -0.49 -0.11 -0.44 0.02 0.00 0.00 177.10 176.34 2woh s SER 542 N -3.49 1.32 -0.27 -1.22 0.01 0.20 -1.39 113.70 108.86 2woh s SER 542 Ca 0.34 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.86 2woh s SER 542 Cb 0.07 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 2woh s SER 542 CO 0.14 -0.11 0.55 -0.22 0.41 0.00 0.00 173.24 174.01 2woh s LEU 543 N -1.54 4.08 0.10 2.44 2.96 -1.26 -1.03 118.68 124.43 2woh s LEU 543 Ca -0.04 0.50 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 2woh s LEU 543 Cb -0.09 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2woh s LEU 543 CO 0.01 -0.34 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.97 2woh s VAL 544 N 2.38 3.72 0.01 1.68 1.01 0.49 -0.77 120.40 128.92 2woh s VAL 544 Ca 0.22 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2woh s VAL 544 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2woh s VAL 544 CO 0.10 0.11 -0.24 0.00 0.00 0.00 0.00 175.10 175.06 2woh s ALA 545 N -1.28 2.29 -0.19 5.51 0.00 0.90 -0.75 121.76 128.24 2woh s ALA 545 Ca 0.24 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2woh s ALA 545 Cb -0.11 -0.59 0.06 0.00 0.00 0.00 0.00 23.12 22.48 2woh s ALA 545 CO 0.16 0.54 0.05 -1.64 0.00 0.00 0.00 175.76 174.87 2woh s MET 546 N -0.94 0.51 -0.40 0.00 -1.94 0.16 -1.83 119.30 114.86 2woh s MET 546 Ca 0.11 -0.35 -0.07 0.00 -1.71 0.00 0.00 55.69 53.68 2woh s MET 546 Cb -0.10 -2.04 0.08 0.00 2.01 0.00 0.00 34.83 34.78 2woh s MET 546 CO 0.01 -0.65 0.21 -0.51 -0.01 0.00 0.00 175.02 174.06 2woh s ASP 547 N 1.93 5.44 0.07 3.03 1.01 -0.42 -0.20 116.67 127.53 2woh s ASP 547 Ca -0.00 -1.61 -0.33 0.00 0.71 0.00 0.00 52.55 51.32 2woh s ASP 547 Cb -0.17 -1.91 -0.12 0.00 1.01 0.00 0.00 42.92 41.73 2woh s ASP 547 CO -0.08 -0.50 1.77 -2.65 0.21 0.00 0.00 175.17 173.92 2woh n PRO 548 N 4.79 2.42 -4.17 8.23 -0.02 -1.26 -1.95 135.00 143.04 2woh n PRO 548 Ca -0.08 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2woh n PRO 548 Cb 0.43 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.08 2woh n PRO 548 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2woh s VAL 549 N 2.57 0.84 -0.51 -1.45 -7.23 0.31 -4.96 120.40 109.97 2woh s VAL 549 Ca 0.84 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 59.10 2woh s VAL 549 Cb -0.60 -1.45 0.07 0.00 0.56 0.00 0.00 36.38 34.96 2woh s VAL 549 CO 0.42 -0.67 0.58 -0.69 -0.31 0.00 0.00 175.10 174.42 2woh s VAL 550 N -2.85 4.96 0.00 1.32 1.01 -1.26 -0.87 120.40 122.71 2woh s VAL 550 Ca 0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2woh s VAL 550 Cb -0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2woh s VAL 550 CO -0.02 -0.79 0.17 -0.54 0.00 0.00 0.00 175.10 173.93 2woh s LYS 551 N 2.39 3.38 0.44 2.72 -0.14 -0.66 -4.88 119.74 122.99 2woh s LYS 551 Ca 0.12 -0.36 -0.25 0.00 -1.36 0.00 0.00 55.97 54.12 2woh s LYS 551 Cb -0.21 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 32.79 2woh s LYS 551 CO 0.10 0.66 1.21 -2.30 -0.76 0.00 0.00 175.35 174.27 2woh n PRO 552 N 0.90 1.75 -2.58 -1.68 -0.02 -1.26 -0.17 135.00 131.94 2woh n PRO 552 Ca -0.10 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 2woh n PRO 552 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2woh n PRO 552 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2woh s ASN 553 N -0.63 6.95 -0.32 2.55 2.47 0.27 -4.65 114.94 121.58 2woh s ASN 553 Ca 0.63 1.28 0.07 0.00 0.42 0.00 0.00 52.86 55.26 2woh s ASN 553 Cb -0.51 -2.54 0.46 0.00 -1.45 0.00 0.00 41.25 37.21 2woh s ASN 553 CO 0.57 -0.82 1.34 0.35 -3.72 0.00 0.00 177.10 174.81 2woh n THR 554 N 5.66 2.60 -1.03 -5.21 -2.24 -1.26 -4.61 114.28 108.19 2woh n THR 554 Ca 0.13 -3.65 0.01 0.00 -2.27 0.00 0.00 64.05 58.27 2woh n THR 554 Cb 0.46 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 67.88 2woh n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2woh n ALA 555 N -0.88 1.57 -0.21 6.98 0.00 -1.26 -5.13 120.51 121.57 2woh n ALA 555 Ca 0.40 -0.94 0.01 0.00 0.00 0.00 0.00 53.44 52.90 2woh n ALA 555 Cb 0.90 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 20.19 2woh n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2woh n GLY 556 N -0.25 -1.93 0.00 0.00 0.00 -1.26 -5.08 105.19 96.67 2woh n GLY 556 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2woh n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woh n GLY 557 N -0.28 -1.47 0.07 -0.02 0.00 -1.26 -4.54 105.19 97.69 2woh n GLY 557 Ca 0.00 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.60 2woh n GLY 557 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2woh n PRO 558 N -1.57 0.15 -2.25 1.61 -0.02 -1.26 -4.86 135.00 126.80 2woh n PRO 558 Ca 0.00 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 2woh n PRO 558 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2woh n PRO 558 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2woh s ARG 559 N -3.11 4.40 0.07 -0.52 1.81 -1.26 -4.92 118.95 115.41 2woh s ARG 559 Ca 0.10 2.01 0.10 0.00 -1.72 0.00 0.00 55.73 56.21 2woh s ARG 559 Cb 0.13 -3.22 -0.20 0.00 -0.45 0.00 0.00 34.95 31.21 2woh s ARG 559 CO 0.49 -0.25 1.05 1.79 -0.68 0.00 0.00 175.30 177.71 2woh h THR 560 N 3.86 1.33 -4.36 0.02 1.35 -1.92 -3.42 112.91 109.77 2woh h THR 560 Ca -0.44 -3.06 -0.25 0.00 -0.55 0.00 0.00 66.41 62.10 2woh h THR 560 Cb 1.21 2.65 -0.15 0.00 -1.73 0.00 0.00 68.15 70.13 2woh h THR 560 CO 0.78 0.76 -0.63 -0.94 -0.25 0.00 0.00 175.52 175.24 2woh s SER 561 N -6.44 0.44 0.16 5.36 1.04 -1.26 -0.57 113.70 112.42 2woh s SER 561 Ca -0.01 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 2woh s SER 561 Cb 0.09 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2woh s SER 561 CO 0.82 -0.78 0.08 0.42 0.98 0.00 0.00 173.24 174.76 2woh s THR 562 N -4.03 0.08 -0.38 2.02 -4.23 0.76 -4.63 115.64 105.23 2woh s THR 562 Ca 0.35 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 2woh s THR 562 Cb 0.07 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.72 2woh s THR 562 CO 0.10 -0.27 0.20 -0.04 -0.54 0.00 0.00 174.62 174.07 2woh s MET 563 N -4.09 2.72 0.37 3.99 -1.94 -1.26 -1.65 119.30 117.44 2woh s MET 563 Ca 0.30 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 2woh s MET 563 Cb 0.07 -3.70 -0.01 0.00 2.01 0.00 0.00 34.83 33.21 2woh s MET 563 CO 0.06 -0.77 0.06 1.04 -0.01 0.00 0.00 175.02 175.40 2woh n GLN 564 N 4.94 0.84 -3.98 2.03 6.02 -0.05 -4.97 117.38 122.21 2woh n GLN 564 Ca -0.11 -2.88 -0.19 0.00 -0.01 0.00 0.00 57.00 53.80 2woh n GLN 564 Cb 0.45 1.14 -0.17 0.00 1.02 0.00 0.00 30.24 32.69 2woh n GLN 564 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2woh s VAL 565 N -2.62 0.35 -0.45 5.09 1.01 -1.26 -0.53 120.40 121.99 2woh s VAL 565 Ca 0.08 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 2woh s VAL 565 Cb 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.97 2woh s VAL 565 CO 0.06 0.20 0.78 0.20 0.00 0.00 0.00 175.10 176.34 2woh s ASN 566 N 1.21 6.40 -0.12 3.32 0.01 -0.82 -4.89 114.94 120.05 2woh s ASN 566 Ca -0.07 -0.15 -0.04 0.00 -0.71 0.00 0.00 52.86 51.90 2woh s ASN 566 Cb -0.14 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 2woh s ASN 566 CO -0.02 -0.92 0.02 -1.58 -1.51 0.00 0.00 177.10 173.09 2woh s GLN 567 N 3.28 3.38 -0.07 -0.60 0.74 -1.26 -1.30 119.66 123.84 2woh s GLN 567 Ca 0.29 -0.40 -0.31 0.00 0.05 0.00 0.00 55.36 55.00 2woh s GLN 567 Cb -0.12 -2.94 0.08 0.00 1.10 0.00 0.00 33.01 31.12 2woh s GLN 567 CO 0.22 0.52 0.72 1.52 -0.55 0.00 0.00 175.29 177.72 2woh s TYR 568 N -0.36 -0.63 0.52 1.67 1.13 -0.76 -4.99 117.35 113.94 2woh s TYR 568 Ca 0.08 1.09 -0.15 0.00 -1.41 0.00 0.00 57.07 56.67 2woh s TYR 568 Cb -0.12 0.41 -0.07 0.00 -1.10 0.00 0.00 41.96 41.08 2woh s TYR 568 CO 0.02 -0.57 0.97 -0.80 -2.51 0.00 0.00 175.55 172.65 2woh s ASN 569 N -1.14 6.54 -0.40 -0.18 -0.87 -1.26 -0.07 114.94 117.55 2woh s ASN 569 Ca -0.10 1.49 -0.05 0.00 -1.57 0.00 0.00 52.86 52.63 2woh s ASN 569 Cb -0.00 -2.48 0.09 0.00 -0.02 0.00 0.00 41.25 38.84 2woh s ASN 569 CO 0.09 -0.61 0.20 -0.63 -2.57 0.00 0.00 177.10 173.58 2woh s ILE 570 N -2.69 3.60 -0.52 0.60 1.01 0.05 -4.87 121.20 118.38 2woh s ILE 570 Ca 0.57 -1.73 0.25 0.00 0.00 0.00 0.00 60.65 59.74 2woh s ILE 570 Cb -0.10 -3.32 0.31 0.00 0.01 0.00 0.00 42.46 39.36 2woh s ILE 570 CO 0.35 -0.55 1.73 1.23 0.00 0.00 0.00 174.94 177.70 2woh h GLY 571 N 8.18 0.00 -2.43 6.18 0.00 -1.92 -3.40 103.07 109.68 2woh h GLY 571 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2woh h GLY 571 CO 0.70 0.00 -0.20 0.54 0.00 0.00 0.00 176.54 177.58 2woh s ASN 572 N -5.23 -0.05 0.23 0.19 2.20 -1.26 0.06 114.94 111.08 2woh s ASN 572 Ca 0.08 -0.92 -0.08 0.00 -0.94 0.00 0.00 52.86 51.00 2woh s ASN 572 Cb 0.09 0.53 0.21 0.00 -2.00 0.00 0.00 41.25 40.08 2woh s ASN 572 CO 0.60 -1.04 1.90 -0.33 -2.94 0.00 0.00 177.10 175.29 2woh h GLU 573 N 2.35 1.18 -0.68 3.55 5.08 -1.54 -1.55 114.58 122.98 2woh h GLU 573 Ca -0.29 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 2woh h GLU 573 Cb 1.25 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2woh h GLU 573 CO 0.40 0.79 0.17 0.37 -1.00 0.00 0.00 179.01 179.75 2woh h GLN 574 N 1.22 1.09 0.00 2.33 5.75 -1.85 -1.48 115.11 122.17 2woh h GLN 574 Ca 0.33 -0.26 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 2woh h GLN 574 Cb -0.12 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 2woh h GLN 574 CO -0.07 0.96 -0.62 -0.44 -2.65 0.00 0.00 178.83 176.01 2woh h ASP 575 N 1.02 0.00 1.25 -0.69 3.32 -1.93 -3.22 116.42 116.17 2woh h ASP 575 Ca 0.21 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2woh h ASP 575 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2woh h ASP 575 CO 0.00 0.62 -0.29 0.00 -1.72 0.00 0.00 179.24 177.85 2woh h ALA 576 N 1.38 0.90 -1.46 3.45 0.00 -0.52 -3.40 119.26 119.61 2woh h ALA 576 Ca -0.01 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 2woh h ALA 576 Cb 1.20 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 2woh h ALA 576 CO 0.08 0.36 1.12 0.00 0.00 0.00 0.00 179.25 180.81 2woh s ALA 577 N -3.36 2.67 0.18 0.00 0.00 -0.63 -4.14 121.76 116.48 2woh s ALA 577 Ca 0.03 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 2woh s ALA 577 Cb 0.09 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2woh s ALA 577 CO 0.68 -3.27 0.37 1.14 0.00 0.00 0.00 175.76 174.67 2woh s GLN 578 N 5.87 1.25 0.69 0.00 -2.07 -0.32 -5.00 119.66 120.08 2woh s GLN 578 Ca 0.46 -1.08 -0.15 0.00 -1.82 0.00 0.00 55.36 52.77 2woh s GLN 578 Cb -0.09 0.43 0.02 0.00 -1.09 0.00 0.00 33.01 32.27 2woh s GLN 578 CO 0.19 -0.49 1.13 0.15 -1.32 0.00 0.00 175.29 174.96 2woh s LYS 579 N -3.94 2.54 -0.21 9.60 -0.14 -1.26 -1.74 119.74 124.60 2woh s LYS 579 Ca 0.15 1.48 -0.04 0.00 -1.36 0.00 0.00 55.97 56.20 2woh s LYS 579 Cb 0.02 -1.91 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 2woh s LYS 579 CO -0.01 -1.47 -0.03 0.12 -0.76 0.00 0.00 175.35 173.21 2woh s PHE 580 N -2.29 2.97 -0.33 3.18 5.36 -1.26 -4.76 117.98 120.85 2woh s PHE 580 Ca 0.69 -0.75 -0.11 0.00 -0.96 0.00 0.00 56.93 55.80 2woh s PHE 580 Cb -0.23 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2woh s PHE 580 CO 0.44 -0.42 0.19 0.34 -1.46 0.00 0.00 175.22 174.31 2woh s ASP 581 N 1.24 5.76 0.00 6.13 2.15 -1.26 -4.96 116.67 125.73 2woh s ASP 581 Ca 0.03 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 52.50 2woh s ASP 581 Cb -0.14 -2.05 0.27 0.00 -0.30 0.00 0.00 42.92 40.69 2woh s ASP 581 CO -0.01 -0.24 1.03 -0.81 -0.17 0.00 0.00 175.17 174.98 2woh n PRO 582 N 5.03 0.07 0.00 4.34 -0.04 -1.26 -0.51 135.00 142.63 2woh n PRO 582 Ca -0.13 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2woh n PRO 582 Cb 0.49 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.92 2woh n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2woh n GLY 583 N -0.84 -0.25 3.73 0.55 0.00 -1.26 -4.91 105.19 102.20 2woh n GLY 583 Ca 0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 2woh n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2woh s THR 584 N -2.20 2.40 -0.11 2.61 -4.23 0.33 -4.38 115.64 110.07 2woh s THR 584 Ca 0.33 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 2woh s THR 584 Cb 0.20 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 71.07 2woh s THR 584 CO 0.41 -0.04 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.61 2woh s ILE 585 N -2.58 1.92 -0.17 2.99 1.01 0.72 -4.95 121.20 120.14 2woh s ILE 585 Ca 0.40 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.14 2woh s ILE 585 Cb 0.03 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.84 2woh s ILE 585 CO 0.22 0.53 -0.15 -0.13 0.00 0.00 0.00 174.94 175.40 2woh s ARG 586 N 0.59 2.50 0.06 2.79 1.81 -1.26 0.36 118.95 125.80 2woh s ARG 586 Ca -0.14 -0.75 0.05 0.00 -1.72 0.00 0.00 55.73 53.18 2woh s ARG 586 Cb -0.17 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 31.93 2woh s ARG 586 CO 0.04 -0.28 -0.08 -0.51 -0.68 0.00 0.00 175.30 173.80 2woh s LEU 587 N 1.38 3.13 -0.57 2.53 1.43 0.07 -1.07 118.68 125.59 2woh s LEU 587 Ca 0.03 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2woh s LEU 587 Cb -0.14 -1.87 0.14 0.00 0.03 0.00 0.00 46.19 44.35 2woh s LEU 587 CO -0.11 0.22 0.47 -0.22 0.23 0.00 0.00 176.35 176.94 2woh s LEU 588 N -1.91 5.99 0.27 1.79 2.96 -0.34 -0.38 118.68 127.05 2woh s LEU 588 Ca 0.20 -2.10 -0.02 0.00 -0.22 0.00 0.00 54.13 51.99 2woh s LEU 588 Cb -0.11 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2woh s LEU 588 CO 0.12 -0.69 0.49 -0.44 -1.32 0.00 0.00 176.35 174.51 2woh s SER 589 N 2.67 6.39 -0.40 3.68 0.01 -0.20 -2.10 113.70 123.76 2woh s SER 589 Ca 0.08 0.54 -0.14 0.00 1.31 0.00 0.00 55.95 57.74 2woh s SER 589 Cb -0.24 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 63.94 2woh s SER 589 CO -0.01 -0.15 0.28 0.21 0.41 0.00 0.00 173.24 173.97 2woh s ASN 590 N -3.33 6.05 0.00 2.44 3.84 -0.27 -0.63 114.94 123.04 2woh s ASN 590 Ca 0.41 -0.87 0.20 0.00 0.21 0.00 0.00 52.86 52.82 2woh s ASN 590 Cb -0.11 -2.14 1.21 0.00 -0.55 0.00 0.00 41.25 39.67 2woh s ASN 590 CO 0.31 -0.42 1.74 -0.81 -2.79 0.00 0.00 177.10 175.13 2woh n PRO 591 N 5.13 0.93 -0.00 0.43 -0.04 -1.26 -2.93 135.00 137.26 2woh n PRO 591 Ca -0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2woh n PRO 591 Cb 0.47 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 2woh n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2woh n ASN 592 N -0.84 0.86 -3.93 3.54 3.02 -1.26 -4.98 115.26 111.67 2woh n ASN 592 Ca 0.15 -0.85 -0.15 0.00 -0.03 0.00 0.00 54.58 53.71 2woh n ASN 592 Cb 0.07 1.10 -0.14 0.00 -0.61 0.00 0.00 39.78 40.19 2woh n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2woh s LYS 593 N -2.86 0.30 0.18 3.52 1.02 -1.15 -5.12 119.74 115.64 2woh s LYS 593 Ca 0.06 -0.13 0.06 0.00 0.02 0.00 0.00 55.97 55.97 2woh s LYS 593 Cb 0.14 -0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 2woh s LYS 593 CO 0.78 0.08 -0.11 -1.21 -0.92 0.00 0.00 175.35 173.97 2woh s GLU 594 N -0.07 1.19 0.77 1.68 2.02 -1.26 -1.30 118.70 121.74 2woh s GLU 594 Ca 0.01 -1.53 -0.04 0.00 0.02 0.00 0.00 54.97 53.44 2woh s GLU 594 Cb -0.02 -0.82 0.15 0.00 0.10 0.00 0.00 34.13 33.55 2woh s GLU 594 CO -0.00 0.10 1.07 0.54 0.02 0.00 0.00 175.26 176.99 2woh s ASN 595 N -3.24 4.06 0.60 -0.19 4.22 0.95 -4.78 114.94 116.56 2woh s ASN 595 Ca 0.20 -0.28 0.29 0.00 -2.14 0.00 0.00 52.86 50.92 2woh s ASN 595 Cb 0.02 -0.00 1.26 0.00 1.28 0.00 0.00 41.25 43.81 2woh s ASN 595 CO 0.04 -2.07 1.65 -0.09 -2.04 0.00 0.00 177.10 174.59 2woh h ARG 596 N -0.77 0.00 -0.50 3.55 2.43 -1.89 0.42 114.38 117.62 2woh h ARG 596 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2woh h ARG 596 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2woh h ARG 596 CO 0.39 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.52 2woh n MET 597 N -3.50 2.54 -0.97 0.20 2.81 -1.26 -4.93 117.12 112.01 2woh n MET 597 Ca 0.15 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 2woh n MET 597 Cb 1.05 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 2woh n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2woh n GLY 598 N 1.55 0.45 3.76 3.03 0.00 0.15 -5.04 105.19 109.08 2woh n GLY 598 Ca 0.21 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2woh n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2woh s ASN 599 N -2.57 6.66 0.09 1.61 0.01 -1.25 -4.80 114.94 114.69 2woh s ASN 599 Ca 0.00 0.79 -0.34 0.00 -0.71 0.00 0.00 52.86 52.60 2woh s ASN 599 Cb 0.00 -2.25 -0.14 0.00 0.41 0.00 0.00 41.25 39.28 2woh s ASN 599 CO 0.00 0.14 1.63 -0.81 -1.51 0.00 0.00 177.10 176.55 2woh n PRO 600 N 3.01 2.07 -1.92 -0.60 -0.04 -1.26 -0.03 135.00 136.22 2woh n PRO 600 Ca -0.11 0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 2woh n PRO 600 Cb 0.52 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 2woh n PRO 600 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2woh s VAL 601 N 1.63 2.53 0.13 0.52 -7.23 -0.42 -4.74 120.40 112.82 2woh s VAL 601 Ca 0.83 0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 61.32 2woh s VAL 601 Cb -0.71 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 2woh s VAL 601 CO 0.42 0.04 0.23 -0.44 -0.31 0.00 0.00 175.10 175.04 2woh s SER 602 N 0.87 0.09 -0.09 4.85 0.01 -0.66 -1.11 113.70 117.66 2woh s SER 602 Ca 0.67 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2woh s SER 602 Cb -0.44 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 2woh s SER 602 CO 0.36 -0.81 -0.23 -0.31 0.41 0.00 0.00 173.24 172.66 2woh s TYR 603 N -3.93 2.55 -0.03 2.43 1.51 -0.89 0.84 117.35 119.82 2woh s TYR 603 Ca 0.13 -0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 55.09 2woh s TYR 603 Cb 0.04 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 2woh s TYR 603 CO -0.04 -0.30 0.78 -1.14 -1.11 0.00 0.00 175.55 173.74 2woh s GLN 604 N 0.11 4.48 -0.30 -0.62 0.74 0.18 -1.20 119.66 123.06 2woh s GLN 604 Ca -0.11 1.05 -0.06 0.00 0.05 0.00 0.00 55.36 56.28 2woh s GLN 604 Cb -0.16 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.53 2woh s GLN 604 CO 0.06 0.07 0.08 0.42 -0.55 0.00 0.00 175.29 175.37 2woh s ILE 605 N 0.71 3.88 -0.38 -2.34 1.01 -0.23 -1.37 121.20 122.48 2woh s ILE 605 Ca 0.41 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2woh s ILE 605 Cb -0.19 -3.03 0.11 0.00 0.01 0.00 0.00 42.46 39.36 2woh s ILE 605 CO 0.21 0.04 0.11 -0.63 0.00 0.00 0.00 174.94 174.68 2woh s ILE 606 N 1.47 2.24 -0.32 2.92 1.01 -0.07 -4.55 121.20 123.89 2woh s ILE 606 Ca 0.02 -2.53 0.27 0.00 0.00 0.00 0.00 60.65 58.41 2woh s ILE 606 Cb -0.18 -2.63 0.33 0.00 0.01 0.00 0.00 42.46 40.00 2woh s ILE 606 CO 0.02 -0.66 1.79 -0.65 0.00 0.00 0.00 174.94 175.43 2woh h PRO 607 N 7.34 0.00 -3.29 2.79 0.11 -1.89 -0.45 132.00 136.62 2woh h PRO 607 Ca -0.06 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.46 2woh h PRO 607 Cb 0.99 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.70 2woh h PRO 607 CO 0.56 0.00 -0.75 -0.47 -0.21 0.00 0.00 178.00 177.12 2woh s TYR 608 N -3.36 1.81 -0.81 0.65 5.04 -1.26 -4.64 117.35 114.77 2woh s TYR 608 Ca 0.05 -2.04 0.16 0.00 -2.44 0.00 0.00 57.07 52.80 2woh s TYR 608 Cb 0.08 -1.76 0.57 0.00 0.35 0.00 0.00 41.96 41.20 2woh s TYR 608 CO 0.56 -0.84 1.49 0.00 -1.34 0.00 0.00 175.55 175.42 2woh n ALA 609 N 4.25 2.86 0.00 3.97 0.00 -0.63 -4.87 120.51 126.09 2woh n ALA 609 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.79 2woh n ALA 609 Cb 0.39 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2woh n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2woh n GLY 610 N 0.54 1.10 3.81 0.00 0.00 -1.24 -4.71 105.19 104.68 2woh n GLY 610 Ca 0.21 -2.25 -0.00 0.00 0.00 0.00 0.00 46.02 43.97 2woh n GLY 610 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2woh s GLY 611 N 0.00 -0.16 -0.01 -0.02 0.00 -1.26 -0.38 107.32 105.49 2woh s GLY 611 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 44.72 44.98 2woh s GLY 611 CO 0.00 2.03 0.39 -1.30 0.00 0.00 0.00 173.10 174.22 2woh n THR 612 N -0.64 0.00 -3.62 0.90 -2.24 0.00 -4.92 114.28 103.76 2woh n THR 612 Ca -0.04 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 2woh n THR 612 Cb 0.60 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 2woh n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2woh s HIS 613 N -2.60 3.37 0.43 4.78 3.76 -1.26 -4.96 115.29 118.82 2woh s HIS 613 Ca -0.01 0.06 -0.23 0.00 -0.15 0.00 0.00 55.06 54.73 2woh s HIS 613 Cb 0.09 -1.81 -0.11 0.00 1.11 0.00 0.00 32.58 31.86 2woh s HIS 613 CO 0.53 0.19 0.83 -2.30 -0.85 0.00 0.00 174.74 173.13 2woh n PRO 614 N -1.62 1.00 -3.25 8.40 -0.02 -1.26 -4.87 135.00 133.38 2woh n PRO 614 Ca -0.05 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 2woh n PRO 614 Cb 0.57 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 2woh n PRO 614 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2woh s VAL 615 N -1.37 4.74 -0.24 -1.45 0.11 -1.26 -1.27 120.40 119.67 2woh s VAL 615 Ca 0.64 1.00 -0.22 0.00 -2.93 0.00 0.00 61.98 60.47 2woh s VAL 615 Cb -0.57 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 30.49 2woh s VAL 615 CO 0.56 0.21 0.69 0.00 -3.33 0.00 0.00 175.10 173.24 2woh s ALA 616 N -1.51 3.62 -0.78 1.54 0.00 -0.99 -4.47 121.76 119.16 2woh s ALA 616 Ca 0.40 -0.32 0.26 0.00 0.00 0.00 0.00 51.96 52.31 2woh s ALA 616 Cb -0.15 -3.11 0.92 0.00 0.00 0.00 0.00 23.12 20.78 2woh s ALA 616 CO 0.20 -0.82 1.80 1.63 0.00 0.00 0.00 175.76 178.57 2woh n LYS 617 N 5.74 0.19 -1.96 0.00 5.02 -1.26 -4.66 118.16 121.23 2woh n LYS 617 Ca 0.01 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2woh n LYS 617 Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2woh n LYS 617 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2woh n GLY 618 N 1.24 -0.64 3.70 0.72 0.00 -1.26 -4.91 105.19 104.03 2woh n GLY 618 Ca 0.06 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2woh n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2woh s ALA 619 N -1.00 3.23 -0.81 4.61 0.00 -1.20 -4.91 121.76 121.69 2woh s ALA 619 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 2woh s ALA 619 Cb 0.00 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2woh s ALA 619 CO 0.00 -0.33 3.21 1.04 0.00 0.00 0.00 175.76 179.67 2woh n GLN 620 N 4.21 2.93 -4.61 0.00 1.13 -1.26 -4.81 117.38 114.97 2woh n GLN 620 Ca 0.07 -1.77 -0.23 0.00 -1.94 0.00 0.00 57.00 53.13 2woh n GLN 620 Cb 0.50 -2.39 -0.15 0.00 0.11 0.00 0.00 30.24 28.32 2woh n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2woh s PHE 621 N 1.17 1.38 0.72 1.08 0.08 -1.26 -5.00 117.98 116.14 2woh s PHE 621 Ca 0.67 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 57.26 2woh s PHE 621 Cb 0.26 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2woh s PHE 621 CO -0.05 0.01 0.95 0.00 -0.10 0.00 0.00 175.22 176.03 2woh n ALA 622 N 2.40 -0.27 1.07 5.36 0.00 -1.26 -4.86 120.51 122.95 2woh n ALA 622 Ca -0.16 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.17 2woh n ALA 622 Cb 0.55 -2.11 0.46 0.00 0.00 0.00 0.00 19.45 18.34 2woh n ALA 622 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2woh n PRO 623 N -1.81 0.54 -0.08 0.00 -0.04 -1.26 -2.77 135.00 129.58 2woh n PRO 623 Ca 0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2woh n PRO 623 Cb 0.49 -1.45 0.09 0.00 -0.04 0.00 0.00 33.50 32.60 2woh n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2woh n ASP 624 N -0.95 2.33 -4.79 3.54 5.68 -1.26 -4.81 116.55 116.28 2woh n ASP 624 Ca 0.12 -1.70 -0.34 0.00 -0.50 0.00 0.00 54.79 52.36 2woh n ASP 624 Cb 0.05 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 39.91 2woh n ASP 624 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2woh s GLU 625 N -0.92 3.68 0.06 0.11 0.41 -1.12 -4.98 118.70 115.94 2woh s GLU 625 Ca 0.16 1.42 -0.19 0.00 -0.41 0.00 0.00 54.97 55.96 2woh s GLU 625 Cb 0.10 -2.07 -0.12 0.00 -1.78 0.00 0.00 34.13 30.26 2woh s GLU 625 CO 0.14 -0.54 1.39 -1.49 -0.49 0.00 0.00 175.26 174.26 2woh h TRP 626 N 1.45 0.52 -0.71 1.61 4.06 -1.92 -2.58 115.95 118.37 2woh h TRP 626 Ca -0.50 -0.14 0.11 0.00 2.06 0.00 0.00 58.89 60.42 2woh h TRP 626 Cb 1.23 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 29.23 2woh h TRP 626 CO 0.55 0.77 0.47 0.97 -3.56 0.00 0.00 178.44 177.64 2woh h ILE 627 N 0.11 0.89 -0.25 1.49 2.10 -1.94 0.37 117.51 120.28 2woh h ILE 627 Ca 0.04 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.79 2woh h ILE 627 Cb 0.66 0.32 -0.01 0.00 -1.09 0.00 0.00 36.82 36.70 2woh h ILE 627 CO 0.04 0.10 0.11 0.22 -1.08 0.00 0.00 178.15 177.53 2woh h TYR 628 N 0.52 0.36 -0.28 2.19 3.20 -1.85 -2.39 116.97 118.73 2woh h TYR 628 Ca 0.33 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.19 2woh h TYR 628 Cb 0.59 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2woh h TYR 628 CO -0.00 0.36 0.16 1.25 -1.64 0.00 0.00 178.16 178.30 2woh h HIS 629 N 0.26 0.31 0.00 -3.82 2.76 -0.05 -3.00 115.15 111.61 2woh h HIS 629 Ca 0.08 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2woh h HIS 629 Cb 0.14 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2woh h HIS 629 CO -0.02 0.18 -0.01 0.00 -1.30 0.00 0.00 177.93 176.79 2woh h ARG 630 N 0.34 0.00 -2.26 5.26 3.08 -0.52 -3.37 114.38 116.91 2woh h ARG 630 Ca 0.11 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.58 2woh h ARG 630 Cb -0.00 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.65 2woh h ARG 630 CO -0.05 0.01 -0.90 1.28 -1.07 0.00 0.00 179.97 179.24 2woh n LEU 631 N -3.10 1.19 0.30 3.04 4.77 -0.91 -3.55 117.00 118.75 2woh n LEU 631 Ca 0.01 -4.85 0.20 0.00 -0.03 0.00 0.00 56.01 51.34 2woh n LEU 631 Cb 0.36 0.15 0.95 0.00 -2.33 0.00 0.00 43.42 42.55 2woh n LEU 631 CO 0.29 1.98 1.08 0.77 -1.33 0.00 0.00 177.39 180.19 2woh h SER 632 N 4.58 0.00 0.51 -1.43 4.64 -1.75 -2.97 113.55 117.13 2woh h SER 632 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2woh h SER 632 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2woh h SER 632 CO 0.56 0.00 0.00 2.19 -0.87 0.00 0.00 176.83 178.71 2woh h PHE 633 N 0.00 0.00 0.00 4.77 -0.00 -1.92 -2.77 116.94 117.02 2woh h PHE 633 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 2woh h PHE 633 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.19 2woh h PHE 633 CO 0.00 0.00 -0.09 0.52 -0.00 0.00 0.00 178.31 178.74 2woh h MET 634 N 0.00 0.00 -0.01 6.09 2.86 -1.91 -3.33 114.93 118.63 2woh h MET 634 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2woh h MET 634 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2woh h MET 634 CO 0.00 0.09 -0.25 -3.47 1.06 0.00 0.00 176.91 174.34 2woh n ASP 635 N -3.39 1.15 -4.20 1.22 2.03 -1.04 -3.21 116.55 109.11 2woh n ASP 635 Ca -0.01 -1.08 -0.24 0.00 0.52 0.00 0.00 54.79 53.99 2woh n ASP 635 Cb 0.26 0.54 -0.14 0.00 -0.72 0.00 0.00 41.12 41.06 2woh n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2woh s LYS 636 N -1.48 1.26 0.17 -0.67 -0.14 -1.25 -4.76 119.74 112.87 2woh s LYS 636 Ca 0.08 -0.82 0.21 0.00 -1.36 0.00 0.00 55.97 54.08 2woh s LYS 636 Cb 0.08 -1.31 -0.04 0.00 -1.68 0.00 0.00 37.83 34.88 2woh s LYS 636 CO 0.28 0.34 0.99 1.96 -0.76 0.00 0.00 175.35 178.16 2woh h GLN 637 N 5.07 0.00 -4.85 1.68 7.50 -1.60 -3.40 115.11 119.51 2woh h GLN 637 Ca -0.40 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.19 2woh h GLN 637 Cb 1.16 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 28.36 2woh h GLN 637 CO 0.45 0.08 -0.83 -1.17 -1.50 0.00 0.00 178.83 175.86 2woh s LEU 638 N -5.49 1.79 0.03 1.46 2.96 -0.71 -0.92 118.68 117.79 2woh s LEU 638 Ca -0.01 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2woh s LEU 638 Cb 0.09 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 2woh s LEU 638 CO 0.80 0.08 -0.09 0.26 -1.32 0.00 0.00 176.35 176.08 2woh s TRP 639 N 0.49 0.78 -0.02 5.38 0.52 -0.27 -1.18 118.94 124.63 2woh s TRP 639 Ca -0.14 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.67 2woh s TRP 639 Cb -0.16 -0.47 0.01 0.00 -1.15 0.00 0.00 33.47 31.70 2woh s TRP 639 CO 0.05 -0.02 -0.05 0.08 0.02 0.00 0.00 176.95 177.03 2woh s VAL 640 N -0.82 0.46 0.08 4.03 1.01 -1.26 -0.28 120.40 123.62 2woh s VAL 640 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2woh s VAL 640 Cb -0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2woh s VAL 640 CO 0.00 0.17 -0.08 0.42 0.00 0.00 0.00 175.10 175.62 2woh s THR 641 N 0.45 0.71 0.24 3.92 -4.23 -0.21 -4.59 115.64 111.93 2woh s THR 641 Ca -0.05 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.50 2woh s THR 641 Cb -0.09 -1.34 -0.10 0.00 1.34 0.00 0.00 72.50 72.31 2woh s THR 641 CO -0.00 -0.68 1.42 -0.60 -0.54 0.00 0.00 174.62 174.22 2woh s ARG 642 N -3.04 4.29 0.16 3.99 3.52 -1.26 -0.01 118.95 126.59 2woh s ARG 642 Ca 0.05 2.26 -0.33 0.00 -0.13 0.00 0.00 55.73 57.58 2woh s ARG 642 Cb -0.00 -3.12 -0.13 0.00 -1.56 0.00 0.00 34.95 30.14 2woh s ARG 642 CO -0.02 -0.40 1.70 0.98 -0.81 0.00 0.00 175.30 176.75 2woh n TYR 643 N 2.42 2.51 -3.76 5.12 9.36 -0.73 -4.79 117.16 127.30 2woh n TYR 643 Ca 0.07 0.09 -0.14 0.00 3.32 0.00 0.00 57.90 61.24 2woh n TYR 643 Cb 0.41 -2.63 -0.15 0.00 -0.63 0.00 0.00 39.34 36.34 2woh n TYR 643 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2woh s HIS 644 N 1.52 -0.12 0.56 2.98 3.76 -1.26 -5.06 115.29 117.67 2woh s HIS 644 Ca 0.79 0.40 0.25 0.00 -0.15 0.00 0.00 55.06 56.34 2woh s HIS 644 Cb -0.58 -0.11 1.51 0.00 1.11 0.00 0.00 32.58 34.51 2woh s HIS 644 CO 0.37 -0.15 2.11 -1.00 -0.85 0.00 0.00 174.74 175.22 2woh h PRO 645 N 7.20 0.00 -0.51 8.40 0.13 -2.03 -1.81 132.00 143.39 2woh h PRO 645 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2woh h PRO 645 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2woh h PRO 645 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 2woh n GLY 646 N -1.48 3.21 3.07 1.56 0.00 -1.26 -4.80 105.19 105.49 2woh n GLY 646 Ca 0.02 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 2woh n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2woh s GLU 647 N -2.58 2.42 0.00 1.61 2.02 -0.68 -4.89 118.70 116.60 2woh s GLU 647 Ca 0.50 -2.49 0.00 0.00 0.02 0.00 0.00 54.97 53.00 2woh s GLU 647 Cb 0.38 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2woh s GLU 647 CO 0.16 -1.15 0.00 0.54 0.02 0.00 0.00 175.26 174.82 2woh n ARG 648 N 3.51 0.74 -4.85 1.61 1.74 -1.26 -4.87 116.66 113.27 2woh n ARG 648 Ca 0.07 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 2woh n ARG 648 Cb 0.37 -0.99 -0.16 0.00 -1.02 0.00 0.00 32.46 30.66 2woh n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2woh s PHE 649 N -1.95 2.67 0.36 -1.55 0.08 -1.26 -4.76 117.98 111.57 2woh s PHE 649 Ca 0.00 -1.10 0.08 0.00 0.12 0.00 0.00 56.93 56.03 2woh s PHE 649 Cb 0.00 -1.80 0.69 0.00 -0.57 0.00 0.00 43.02 41.35 2woh s PHE 649 CO 0.00 -0.47 1.86 -1.00 -0.10 0.00 0.00 175.22 175.51 2woh h PRO 650 N 7.03 0.27 -0.01 0.24 0.13 -1.93 -2.53 132.00 135.20 2woh h PRO 650 Ca -0.27 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2woh h PRO 650 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2woh h PRO 650 CO 0.53 0.45 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.76 2woh n GLU 651 N -4.22 1.42 0.00 0.86 0.00 -1.26 -2.47 120.64 114.97 2woh n GLU 651 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 57.16 56.23 2woh n GLU 651 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.27 2woh n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2woh n GLY 652 N 1.28 0.48 0.19 -1.84 0.00 -0.95 -4.48 105.19 99.87 2woh n GLY 652 Ca 0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 2woh n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2woh h LYS 653 N 0.00 0.27 -2.58 1.61 3.64 -1.82 -3.33 116.57 114.36 2woh h LYS 653 Ca 0.00 -0.15 -0.60 0.00 -1.27 0.00 0.00 60.65 58.63 2woh h LYS 653 Cb 0.00 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 31.42 2woh h LYS 653 CO 0.00 0.69 -0.74 0.66 -2.27 0.00 0.00 179.45 177.79 2woh n TYR 654 N -3.97 1.85 0.96 1.91 4.01 -1.26 -4.95 117.16 115.71 2woh n TYR 654 Ca -0.02 -3.94 0.14 0.00 -0.16 0.00 0.00 57.90 53.92 2woh n TYR 654 Cb 0.53 -0.36 0.55 0.00 -0.31 0.00 0.00 39.34 39.76 2woh n TYR 654 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2woh n PRO 655 N 1.87 0.03 -1.78 -0.72 -0.04 -1.25 -4.39 135.00 128.71 2woh n PRO 655 Ca 0.25 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 2woh n PRO 655 Cb 0.42 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2woh n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2woh s ASN 656 N -3.15 5.55 -1.83 3.54 2.47 -1.26 -2.18 114.94 118.09 2woh s ASN 656 Ca 0.13 1.54 0.00 0.00 0.42 0.00 0.00 52.86 54.95 2woh s ASN 656 Cb 0.18 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 2woh s ASN 656 CO 0.56 -1.94 0.00 0.54 -3.72 0.00 0.00 177.10 172.54 2woh n ARG 657 N 8.66 -1.32 -1.42 0.43 1.74 -1.26 -4.20 116.66 119.29 2woh n ARG 657 Ca 0.27 1.07 -0.36 0.00 -0.77 0.00 0.00 57.85 58.06 2woh n ARG 657 Cb 0.47 -5.41 0.09 0.00 -1.02 0.00 0.00 32.46 26.58 2woh n ARG 657 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2woh n SER 658 N -1.09 1.06 -0.15 0.55 3.41 -0.93 -4.87 113.62 111.60 2woh n SER 658 Ca -0.19 0.70 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 2woh n SER 658 Cb 0.62 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.08 2woh n SER 658 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2woh n THR 659 N -2.47 0.00 -3.51 6.66 -2.24 -1.26 -4.67 114.28 106.78 2woh n THR 659 Ca 0.14 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 2woh n THR 659 Cb 0.49 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.75 2woh n THR 659 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2woh s HIS 660 N -1.40 -0.55 -0.06 4.78 -3.43 -1.26 -4.86 115.29 108.51 2woh s HIS 660 Ca 0.06 0.81 -0.29 0.00 -0.80 0.00 0.00 55.06 54.84 2woh s HIS 660 Cb 0.07 0.45 -0.07 0.00 -1.43 0.00 0.00 32.58 31.60 2woh s HIS 660 CO 0.26 -0.59 2.02 0.34 -2.00 0.00 0.00 174.74 174.77 2woh s ASP 661 N -1.55 6.14 -0.13 7.38 -1.08 -1.23 -4.82 116.67 121.38 2woh s ASP 661 Ca -0.06 2.37 0.16 0.00 -0.52 0.00 0.00 52.55 54.51 2woh s ASP 661 Cb -0.00 -2.52 0.35 0.00 -1.46 0.00 0.00 42.92 39.28 2woh s ASP 661 CO 0.03 -1.34 1.24 0.35 0.52 0.00 0.00 175.17 175.97 2woh n THR 662 N 6.27 1.89 0.00 1.71 -2.24 -1.26 -3.97 114.28 116.68 2woh n THR 662 Ca 0.23 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 2woh n THR 662 Cb 0.42 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2woh n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2woh n GLY 663 N -0.88 1.42 0.27 3.38 0.00 -1.26 -4.31 105.19 103.80 2woh n GLY 663 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2woh n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2woh h LEU 664 N 0.00 0.00 -0.05 0.99 3.38 -1.65 0.34 115.31 118.31 2woh h LEU 664 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2woh h LEU 664 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2woh h LEU 664 CO 0.00 0.09 -0.02 1.23 0.09 0.00 0.00 178.44 179.83 2woh h GLY 665 N 0.56 0.11 0.96 0.83 0.00 -1.87 -2.80 103.07 100.86 2woh h GLY 665 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2woh h GLY 665 CO 0.01 0.09 0.16 -1.61 0.00 0.00 0.00 176.54 175.19 2woh h GLN 666 N -0.27 0.38 0.00 4.80 4.15 -1.35 -1.33 115.11 121.49 2woh h GLN 666 Ca 0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2woh h GLN 666 Cb 0.44 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2woh h GLN 666 CO 0.01 0.32 -0.02 1.88 -1.93 0.00 0.00 178.83 179.08 2woh h TYR 667 N 0.34 0.00 -0.01 3.99 0.05 -0.40 -2.89 116.97 118.06 2woh h TYR 667 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2woh h TYR 667 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2woh h TYR 667 CO -0.04 0.02 -0.10 -1.13 -1.05 0.00 0.00 178.16 175.87 2woh n SER 668 N -4.28 1.27 -0.15 3.88 3.41 -1.06 -4.64 113.62 112.06 2woh n SER 668 Ca -0.03 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2woh n SER 668 Cb 0.11 0.30 0.26 0.00 -0.26 0.00 0.00 64.21 64.62 2woh n SER 668 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2woh h LYS 669 N 1.10 0.85 0.00 4.33 1.63 -1.02 -0.14 116.57 123.32 2woh h LYS 669 Ca 0.00 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2woh h LYS 669 Cb 0.28 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2woh h LYS 669 CO 0.00 0.62 0.00 -0.40 -3.45 0.00 0.00 179.45 176.22 2woh n ASP 670 N -4.39 0.00 -3.87 4.20 5.75 -1.26 -4.92 116.55 112.06 2woh n ASP 670 Ca 0.06 -0.91 -0.32 0.00 -0.01 0.00 0.00 54.79 53.60 2woh n ASP 670 Cb 0.10 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 2woh n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2woh n ASN 671 N -0.89 -4.33 -4.87 -1.12 2.85 -0.07 -4.93 115.26 101.89 2woh n ASN 671 Ca 0.14 -1.06 -0.29 0.00 -0.11 0.00 0.00 54.58 53.26 2woh n ASN 671 Cb 0.07 -1.52 0.08 0.00 1.24 0.00 0.00 39.78 39.65 2woh n ASN 671 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2woh s GLU 672 N -5.79 2.13 0.32 1.20 2.02 -1.26 -4.69 118.70 112.63 2woh s GLU 672 Ca 0.17 0.27 -0.26 0.00 0.02 0.00 0.00 54.97 55.17 2woh s GLU 672 Cb -0.10 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 2woh s GLU 672 CO 0.89 -1.51 0.94 0.45 0.02 0.00 0.00 175.26 176.04 2woh s SER 673 N -4.40 7.32 -0.14 -0.19 0.15 -1.26 -1.57 113.70 113.60 2woh s SER 673 Ca 0.61 1.82 0.18 0.00 0.70 0.00 0.00 55.95 59.26 2woh s SER 673 Cb -0.12 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 61.94 2woh s SER 673 CO 0.51 -0.07 1.18 0.18 1.20 0.00 0.00 173.24 176.24 2woh n LEU 674 N 0.53 2.52 -4.65 3.45 4.77 0.11 -4.83 117.00 118.90 2woh n LEU 674 Ca 0.02 -3.17 -0.40 0.00 -0.03 0.00 0.00 56.01 52.43 2woh n LEU 674 Cb 0.50 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2woh n LEU 674 CO 0.44 0.78 0.38 -0.62 -1.33 0.00 0.00 177.39 177.03 2woh s ASP 675 N -2.84 6.65 -1.30 -1.43 2.15 -1.25 -4.19 116.67 114.47 2woh s ASP 675 Ca 0.33 0.79 -0.17 0.00 0.43 0.00 0.00 52.55 53.94 2woh s ASP 675 Cb 0.29 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.58 2woh s ASP 675 CO 0.03 -0.30 0.54 -3.20 -0.17 0.00 0.00 175.17 172.07 2woh n ASN 676 N 5.22 -2.70 -3.90 -0.34 5.15 -0.92 -4.97 115.26 112.79 2woh n ASN 676 Ca -0.01 -1.15 -0.10 0.00 -0.60 0.00 0.00 54.58 52.72 2woh n ASN 676 Cb 0.49 -2.46 -0.09 0.00 -0.53 0.00 0.00 39.78 37.20 2woh n ASN 676 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2woh s THR 677 N -3.76 0.13 -0.14 -0.44 -1.32 -0.49 -4.62 115.64 105.01 2woh s THR 677 Ca 0.29 -1.07 -0.33 0.00 -1.21 0.00 0.00 61.69 59.38 2woh s THR 677 Cb -0.13 -0.97 -0.10 0.00 -1.51 0.00 0.00 72.50 69.78 2woh s THR 677 CO 0.93 -0.59 2.01 -0.67 -2.21 0.00 0.00 174.62 174.09 2woh n ASP 678 N 0.63 3.32 -4.71 8.08 2.03 -1.13 -1.85 116.55 122.91 2woh n ASP 678 Ca -0.18 0.73 -0.27 0.00 0.52 0.00 0.00 54.79 55.58 2woh n ASP 678 Cb 0.59 -1.41 -0.07 0.00 -0.72 0.00 0.00 41.12 39.51 2woh n ASP 678 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2woh s ALA 679 N 5.45 3.34 -0.12 -1.67 0.00 -1.25 -1.77 121.76 125.74 2woh s ALA 679 Ca 0.96 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2woh s ALA 679 Cb -0.61 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.36 2woh s ALA 679 CO 0.47 0.54 -0.19 0.08 0.00 0.00 0.00 175.76 176.67 2woh s VAL 680 N -1.63 1.75 -0.16 0.00 1.01 0.98 -4.19 120.40 118.17 2woh s VAL 680 Ca 0.28 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2woh s VAL 680 Cb -0.10 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2woh s VAL 680 CO 0.20 0.49 0.11 -0.69 0.00 0.00 0.00 175.10 175.21 2woh s VAL 681 N 0.83 5.27 -0.14 2.92 1.01 0.22 -1.05 120.40 129.47 2woh s VAL 681 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2woh s VAL 681 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2woh s VAL 681 CO -0.00 0.53 -0.19 0.26 0.00 0.00 0.00 175.10 175.70 2woh s TRP 682 N -0.30 2.43 -0.18 5.22 0.52 0.62 0.14 118.94 127.39 2woh s TRP 682 Ca 0.10 -1.25 -0.01 0.00 0.02 0.00 0.00 56.10 54.96 2woh s TRP 682 Cb -0.12 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.51 2woh s TRP 682 CO 0.01 -0.61 -0.11 -1.64 0.02 0.00 0.00 176.95 174.63 2woh s MET 683 N 1.00 3.28 -0.13 4.98 -1.94 -0.35 -1.12 119.30 125.03 2woh s MET 683 Ca -0.04 -0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 53.21 2woh s MET 683 Cb -0.15 -2.78 -0.03 0.00 2.01 0.00 0.00 34.83 33.88 2woh s MET 683 CO -0.04 -0.07 0.01 0.99 -0.01 0.00 0.00 175.02 175.89 2woh s THR 684 N 1.08 4.32 -0.04 2.05 2.01 -0.10 -0.93 115.64 124.04 2woh s THR 684 Ca 0.00 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 2woh s THR 684 Cb -0.15 -2.87 0.04 0.00 0.01 0.00 0.00 72.50 69.53 2woh s THR 684 CO -0.03 0.54 0.42 0.28 -0.69 0.00 0.00 174.62 175.14 2woh s THR 685 N -0.27 0.04 0.24 -0.82 -1.32 0.08 -4.52 115.64 109.06 2woh s THR 685 Ca 0.06 -0.30 -0.13 0.00 -1.21 0.00 0.00 61.69 60.11 2woh s THR 685 Cb -0.12 -0.71 0.05 0.00 -1.51 0.00 0.00 72.50 70.21 2woh s THR 685 CO 0.02 -0.17 0.68 0.61 -2.21 0.00 0.00 174.62 173.56 2woh n GLY 686 N 1.38 1.03 3.21 6.08 0.00 -1.25 0.71 105.19 116.35 2woh n GLY 686 Ca -0.20 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 2woh n GLY 686 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2woh s THR 687 N -2.26 1.30 -0.36 2.61 -4.23 -0.13 -2.35 115.64 110.23 2woh s THR 687 Ca 0.14 -1.44 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 2woh s THR 687 Cb -0.03 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.54 2woh s THR 687 CO 0.07 -0.22 0.22 -0.89 -0.54 0.00 0.00 174.62 173.26 2woh s THR 688 N -1.40 4.89 -0.64 3.99 2.01 -0.39 -1.80 115.64 122.29 2woh s THR 688 Ca 0.02 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 2woh s THR 688 Cb -0.09 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 68.92 2woh s THR 688 CO 0.03 -0.14 0.68 -2.28 -0.69 0.00 0.00 174.62 172.22 2woh s HIS 689 N 1.63 3.20 -0.24 4.92 5.04 0.71 -4.15 115.29 126.40 2woh s HIS 689 Ca 0.04 -1.25 -0.16 0.00 -1.54 0.00 0.00 55.06 52.15 2woh s HIS 689 Cb -0.18 -3.94 -0.04 0.00 0.04 0.00 0.00 32.58 28.46 2woh s HIS 689 CO 0.08 -1.18 0.42 0.08 -2.34 0.00 0.00 174.74 171.80 2woh s VAL 690 N 1.96 5.15 0.82 0.89 1.01 -1.26 -3.05 120.40 125.92 2woh s VAL 690 Ca 0.11 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 2woh s VAL 690 Cb -0.23 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.50 2woh s VAL 690 CO 0.02 0.17 1.12 0.00 0.00 0.00 0.00 175.10 176.41 2woh s ALA 691 N 1.89 2.24 0.04 5.51 0.00 -1.26 -5.03 121.76 125.14 2woh s ALA 691 Ca 0.18 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.49 2woh s ALA 691 Cb -0.15 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 19.98 2woh s ALA 691 CO 0.09 -1.82 0.63 -0.98 0.00 0.00 0.00 175.76 173.68 2woh s ARG 692 N -5.28 1.13 0.47 0.00 1.70 -1.26 -4.65 118.95 111.07 2woh s ARG 692 Ca 0.62 -0.07 0.23 0.00 -0.47 0.00 0.00 55.73 56.04 2woh s ARG 692 Cb -0.14 0.53 1.26 0.00 -0.57 0.00 0.00 34.95 36.03 2woh s ARG 692 CO 0.53 -0.41 1.88 0.00 -1.08 0.00 0.00 175.30 176.22 2woh h ALA 693 N 2.63 2.46 0.00 7.88 0.00 -1.86 0.17 119.26 130.53 2woh h ALA 693 Ca -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2woh h ALA 693 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2woh h ALA 693 CO 0.39 -0.72 0.09 0.39 0.00 0.00 0.00 179.25 179.40 2woh n GLU 694 N -4.41 0.13 -0.58 0.00 4.71 -1.26 -1.43 120.64 117.80 2woh n GLU 694 Ca 0.18 0.62 0.08 0.00 -0.01 0.00 0.00 57.16 58.03 2woh n GLU 694 Cb 0.78 -2.00 0.30 0.00 -1.01 0.00 0.00 31.44 29.51 2woh n GLU 694 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2woh n GLU 695 N -2.20 3.56 -3.91 3.49 1.02 0.58 -4.62 120.64 118.56 2woh n GLU 695 Ca -0.01 -2.91 -0.13 0.00 -0.02 0.00 0.00 57.16 54.08 2woh n GLU 695 Cb 0.12 -1.95 -0.14 0.00 -0.02 0.00 0.00 31.44 29.44 2woh n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2woh s TRP 696 N -2.70 0.11 -0.74 -0.32 -0.11 -0.51 -3.55 118.94 111.12 2woh s TRP 696 Ca 0.46 -0.00 0.25 0.00 1.22 0.00 0.00 56.10 58.02 2woh s TRP 696 Cb 0.36 -0.10 0.92 0.00 -1.50 0.00 0.00 33.47 33.14 2woh s TRP 696 CO 0.12 -0.02 1.75 -0.35 -4.62 0.00 0.00 176.95 173.83 2woh n PRO 697 N 3.24 0.17 -4.42 5.86 -0.04 -1.26 -4.98 135.00 133.57 2woh n PRO 697 Ca -0.15 0.24 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 2woh n PRO 697 Cb 0.58 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 2woh n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2woh s ILE 698 N -3.13 0.78 -0.16 0.52 2.07 -1.25 -4.66 121.20 115.37 2woh s ILE 698 Ca 0.09 -0.42 -0.19 0.00 -1.41 0.00 0.00 60.65 58.72 2woh s ILE 698 Cb 0.12 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 2woh s ILE 698 CO 0.49 0.22 0.54 -0.32 -1.91 0.00 0.00 174.94 173.97 2woh s MET 699 N -0.19 4.26 0.33 3.50 -2.45 -0.41 -4.58 119.30 119.77 2woh s MET 699 Ca 0.03 0.51 -0.29 0.00 -1.25 0.00 0.00 55.69 54.69 2woh s MET 699 Cb -0.04 -3.52 -0.11 0.00 1.25 0.00 0.00 34.83 32.41 2woh s MET 699 CO -0.00 -0.05 1.43 -2.14 1.05 0.00 0.00 175.02 175.31 2woh s PRO 700 N 1.30 4.21 0.06 4.11 0.02 -1.26 -3.93 135.00 139.52 2woh s PRO 700 Ca 0.27 2.42 -0.33 0.00 0.02 0.00 0.00 61.00 63.38 2woh s PRO 700 Cb -0.16 -3.03 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 2woh s PRO 700 CO 0.11 -0.42 1.77 2.41 -0.33 0.00 0.00 177.00 180.53 2woh n THR 701 N 1.03 0.32 -4.69 0.99 -1.04 -1.26 -4.79 114.28 104.84 2woh n THR 701 Ca 0.02 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 2woh n THR 701 Cb 0.40 -1.84 -0.12 0.00 -1.82 0.00 0.00 70.33 66.95 2woh n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2woh s GLU 702 N 2.58 2.56 0.12 -2.82 0.41 -0.45 -4.90 118.70 116.20 2woh s GLU 702 Ca 0.85 -0.67 0.11 0.00 -0.41 0.00 0.00 54.97 54.84 2woh s GLU 702 Cb -0.62 -2.46 -0.04 0.00 -1.78 0.00 0.00 34.13 29.23 2woh s GLU 702 CO 0.42 0.63 -0.27 -1.58 -0.49 0.00 0.00 175.26 173.97 2woh s TRP 703 N -0.83 2.30 0.01 1.61 0.52 -1.26 -0.26 118.94 121.03 2woh s TRP 703 Ca 0.13 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.92 2woh s TRP 703 Cb -0.11 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 2woh s TRP 703 CO 0.03 0.32 -0.16 0.14 0.02 0.00 0.00 176.95 177.30 2woh s VAL 704 N -1.04 1.27 -0.01 4.03 -7.23 -0.60 -0.82 120.40 116.00 2woh s VAL 704 Ca 0.14 -0.84 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 2woh s VAL 704 Cb -0.10 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2woh s VAL 704 CO 0.06 0.24 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.98 2woh s HIS 705 N -0.56 2.81 0.11 2.82 0.09 0.49 -1.59 115.29 119.46 2woh s HIS 705 Ca 0.05 -0.09 0.04 0.00 -0.00 0.00 0.00 55.06 55.06 2woh s HIS 705 Cb -0.07 -1.60 -0.04 0.00 -0.00 0.00 0.00 32.58 30.87 2woh s HIS 705 CO 0.00 0.31 -0.10 0.95 -0.00 0.00 0.00 174.74 175.90 2woh s THR 706 N -0.91 1.00 -0.00 1.30 -4.23 -0.51 -1.61 115.64 110.68 2woh s THR 706 Ca 0.15 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2woh s THR 706 Cb -0.11 -1.47 -0.00 0.00 1.34 0.00 0.00 72.50 72.26 2woh s THR 706 CO 0.05 -0.59 0.09 -0.22 -0.54 0.00 0.00 174.62 173.41 2woh s LEU 707 N -2.59 1.73 -0.26 4.79 2.96 -0.18 -1.56 118.68 123.57 2woh s LEU 707 Ca 0.08 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2woh s LEU 707 Cb -0.02 0.48 0.09 0.00 0.50 0.00 0.00 46.19 47.24 2woh s LEU 707 CO 0.00 -0.30 0.10 -0.76 -1.32 0.00 0.00 176.35 174.07 2woh s LEU 708 N -1.17 1.11 -0.14 -0.68 1.43 0.81 -0.89 118.68 119.15 2woh s LEU 708 Ca -0.13 -1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 51.72 2woh s LEU 708 Cb -0.07 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2woh s LEU 708 CO 0.01 -0.40 -0.01 -0.54 0.23 0.00 0.00 176.35 175.64 2woh s LYS 709 N 1.93 3.48 0.19 1.70 1.02 -0.47 -0.99 119.74 126.59 2woh s LYS 709 Ca 0.06 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.28 2woh s LYS 709 Cb -0.17 -2.91 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 2woh s LYS 709 CO -0.25 0.40 1.55 -1.25 -0.92 0.00 0.00 175.35 174.88 2woh s PRO 710 N -0.04 4.21 -0.31 -1.68 0.04 -1.26 0.51 135.00 136.47 2woh s PRO 710 Ca 0.03 2.37 0.03 0.00 0.04 0.00 0.00 61.00 63.47 2woh s PRO 710 Cb -0.13 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.36 2woh s PRO 710 CO 0.02 -0.58 0.02 -0.46 0.04 0.00 0.00 177.00 176.04 2woh s TRP 711 N 0.89 3.20 -2.10 0.56 -0.11 0.25 -4.62 118.94 117.00 2woh s TRP 711 Ca 0.68 -2.56 0.00 0.00 1.22 0.00 0.00 56.10 55.44 2woh s TRP 711 Cb -0.44 -2.43 0.00 0.00 -1.50 0.00 0.00 33.47 29.10 2woh s TRP 711 CO 0.34 -0.91 0.00 0.09 -4.62 0.00 0.00 176.95 171.85 2woh n ASN 712 N 4.42 -5.35 0.09 5.86 3.02 -1.26 -1.65 115.26 120.38 2woh n ASN 712 Ca -0.01 0.45 -0.06 0.00 -0.03 0.00 0.00 54.58 54.93 2woh n ASN 712 Cb 0.42 -4.71 0.08 0.00 -0.61 0.00 0.00 39.78 34.96 2woh n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2woh h PHE 713 N 0.00 0.26 -1.58 3.10 3.57 -1.82 -3.34 116.94 117.13 2woh h PHE 713 Ca -0.42 -0.12 -0.53 0.00 3.53 0.00 0.00 57.97 60.43 2woh h PHE 713 Cb 1.32 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 2woh h PHE 713 CO 0.57 0.82 -0.45 -0.06 -2.23 0.00 0.00 178.31 176.97 2woh s PHE 714 N -3.56 2.66 -0.33 0.41 0.08 -1.26 -4.90 117.98 111.09 2woh s PHE 714 Ca -0.03 -0.53 0.22 0.00 0.12 0.00 0.00 56.93 56.71 2woh s PHE 714 Cb 0.11 -2.03 -0.10 0.00 -0.57 0.00 0.00 43.02 40.43 2woh s PHE 714 CO 0.80 0.06 0.85 -0.25 -0.10 0.00 0.00 175.22 176.58 2woh n ASP 715 N -1.37 0.50 -3.08 1.36 8.00 -1.26 -4.82 116.55 115.88 2woh n ASP 715 Ca 0.01 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2woh n ASP 715 Cb 0.63 1.09 0.01 0.00 -0.02 0.00 0.00 41.12 42.83 2woh n ASP 715 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2woh s GLU 716 N -3.34 2.14 -0.35 -1.24 -1.05 -1.26 -4.93 118.70 108.66 2woh s GLU 716 Ca -0.01 -1.45 -0.37 0.00 -0.15 0.00 0.00 54.97 52.98 2woh s GLU 716 Cb 0.13 0.59 -0.13 0.00 -0.44 0.00 0.00 34.13 34.28 2woh s GLU 716 CO 0.84 -0.98 2.10 2.41 0.95 0.00 0.00 175.26 180.58 2woh n THR 717 N -0.53 0.19 0.28 1.83 -1.04 -1.26 -4.80 114.28 108.96 2woh n THR 717 Ca -0.06 -0.18 0.17 0.00 -2.04 0.00 0.00 64.05 61.93 2woh n THR 717 Cb 0.60 -1.41 0.94 0.00 -1.82 0.00 0.00 70.33 68.64 2woh n THR 717 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2woh h PRO 718 N 10.93 0.00 -0.36 -2.82 0.11 -1.97 -2.84 132.00 135.05 2woh h PRO 718 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 2woh h PRO 718 Cb 1.33 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.39 2woh h PRO 718 CO 1.02 0.00 0.02 0.25 -0.21 0.00 0.00 178.00 179.08 2woh n THR 719 N -3.69 2.46 -0.01 -1.15 -2.24 -1.26 -4.57 114.28 103.83 2woh n THR 719 Ca -0.02 -2.12 -0.02 0.00 -2.27 0.00 0.00 64.05 59.63 2woh n THR 719 Cb 0.15 -0.29 0.25 0.00 -2.10 0.00 0.00 70.33 68.33 2woh n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2woh h LEU 720 N 1.62 0.53 0.00 3.22 3.38 -1.89 -3.49 115.31 118.68 2woh h LEU 720 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2woh h LEU 720 Cb 1.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2woh h LEU 720 CO 0.35 0.65 0.00 0.61 0.09 0.00 0.00 178.44 180.14 2woh n GLY 721 N -0.68 1.55 3.76 0.83 0.00 -1.26 -5.03 105.19 104.35 2woh n GLY 721 Ca 0.01 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 2woh n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2woh s ALA 722 N -1.52 3.52 0.19 4.61 0.00 -1.26 -4.97 121.76 122.34 2woh s ALA 722 Ca 0.00 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 2woh s ALA 722 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 2woh s ALA 722 CO 0.00 -0.67 1.02 -1.17 0.00 0.00 0.00 175.76 174.93 2woh s LEU 723 N -1.49 4.55 0.00 0.00 2.96 -1.26 -4.95 118.68 118.48 2woh s LEU 723 Ca 0.51 1.99 0.27 0.00 -0.22 0.00 0.00 54.13 56.68 2woh s LEU 723 Cb -0.40 -3.60 0.83 0.00 0.50 0.00 0.00 46.19 43.51 2woh s LEU 723 CO 0.51 -0.06 1.62 0.29 -1.32 0.00 0.00 176.35 177.39 2woh n LYS 724 N 2.07 0.48 -3.41 1.98 5.02 -1.26 -4.66 118.16 118.38 2woh n LYS 724 Ca 0.01 -0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 55.83 2woh n LYS 724 Cb 0.47 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 2woh n LYS 724 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2woh s LYS 725 N -2.69 0.59 0.00 1.97 1.02 -1.26 -5.36 119.74 114.01 2woh s LYS 725 Ca 0.20 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2woh s LYS 725 Cb 0.19 -1.00 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 2woh s LYS 725 CO 0.56 -1.20 0.00 -3.47 -0.92 0.00 0.00 175.35 170.32