#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mee s THR 7 N 0.00 4.72 -0.18 6.31 -4.23 -1.26 -4.73 115.64 116.27 3mee s THR 7 Ca 0.00 -0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.80 3mee s THR 7 Cb 0.00 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 3mee s THR 7 CO 0.00 0.25 0.45 -0.69 -0.54 0.00 0.00 174.62 174.09 3mee s VAL 8 N -1.29 5.17 0.16 2.29 1.01 -1.26 -4.96 120.40 121.51 3mee s VAL 8 Ca 0.26 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.78 3mee s VAL 8 Cb -0.12 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 3mee s VAL 8 CO 0.18 0.25 1.71 -2.16 0.00 0.00 0.00 175.10 175.09 3mee s PRO 9 N 1.19 4.16 -0.02 2.72 0.04 -1.26 -4.29 135.00 137.54 3mee s PRO 9 Ca 0.22 2.52 0.07 0.00 0.04 0.00 0.00 61.00 63.85 3mee s PRO 9 Cb -0.15 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 3mee s PRO 9 CO 0.09 -0.74 -0.22 0.08 0.04 0.00 0.00 177.00 176.25 3mee s VAL 10 N 1.77 1.75 0.08 -0.36 1.01 -1.26 -5.09 120.40 118.30 3mee s VAL 10 Ca 0.75 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3mee s VAL 10 Cb -0.46 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3mee s VAL 10 CO 0.33 0.49 -0.08 -1.59 0.00 0.00 0.00 175.10 174.26 3mee s LYS 11 N -0.44 0.72 1.31 2.72 0.00 -1.26 -4.66 119.74 118.12 3mee s LYS 11 Ca 0.06 -1.09 -0.20 0.00 0.00 0.00 0.00 55.97 54.74 3mee s LYS 11 Cb -0.09 -0.29 0.32 0.00 0.00 0.00 0.00 37.83 37.77 3mee s LYS 11 CO -0.00 0.02 1.01 -0.51 0.00 0.00 0.00 175.35 175.87 3mee s LEU 12 N -2.39 -0.18 0.56 2.77 1.43 -1.26 -4.86 118.68 114.74 3mee s LEU 12 Ca 0.03 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 53.79 3mee s LEU 12 Cb -0.02 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 3mee s LEU 12 CO -0.02 -4.74 1.13 -0.54 0.23 0.00 0.00 176.35 172.41 3mee s LYS 13 N -5.12 3.28 0.35 1.70 1.02 -1.07 -4.95 119.74 114.96 3mee s LYS 13 Ca 0.69 1.60 -0.28 0.00 0.02 0.00 0.00 55.97 58.00 3mee s LYS 13 Cb -0.13 -2.00 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 3mee s LYS 13 CO 0.58 -0.90 1.40 -0.35 -0.92 0.00 0.00 175.35 175.16 3mee n PRO 14 N -1.43 2.41 0.00 -1.68 -0.04 -1.26 -2.89 135.00 130.12 3mee n PRO 14 Ca 0.12 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3mee n PRO 14 Cb 0.51 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3mee n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mee n GLY 15 N 0.70 1.97 3.82 0.55 0.00 -1.26 -4.99 105.19 105.98 3mee n GLY 15 Ca 0.03 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3mee n GLY 15 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3mee s MET 16 N 0.00 3.34 0.35 1.61 0.23 -1.14 -5.05 119.30 118.64 3mee s MET 16 Ca 0.00 1.02 0.07 0.00 -1.03 0.00 0.00 55.69 55.76 3mee s MET 16 Cb 0.00 -2.04 -0.03 0.00 -1.53 0.00 0.00 34.83 31.23 3mee s MET 16 CO 0.00 -0.78 0.30 0.34 -2.03 0.00 0.00 175.02 172.85 3mee s ASP 17 N -3.33 5.25 1.14 -1.18 3.68 -1.26 -4.74 116.67 116.22 3mee s ASP 17 Ca 0.60 -0.53 -0.18 0.00 2.13 0.00 0.00 52.55 54.57 3mee s ASP 17 Cb -0.14 -0.92 0.14 0.00 -1.45 0.00 0.00 42.92 40.56 3mee s ASP 17 CO 0.44 -0.39 0.15 0.61 0.13 0.00 0.00 175.17 176.11 3mee n GLY 18 N -1.39 -2.53 3.75 2.66 0.00 -1.26 -4.94 105.19 101.48 3mee n GLY 18 Ca -0.01 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 3mee n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mee s PRO 19 N -3.59 4.68 -0.51 1.61 0.04 -1.26 -5.00 135.00 130.97 3mee s PRO 19 Ca 0.56 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.41 3mee s PRO 19 Cb -0.12 -3.22 0.26 0.00 0.04 0.00 0.00 34.50 31.46 3mee s PRO 19 CO 0.63 0.26 0.66 1.63 0.04 0.00 0.00 177.00 180.22 3mee n LYS 20 N 1.37 1.68 -3.97 4.56 5.02 -1.24 -1.06 118.16 124.51 3mee n LYS 20 Ca -0.01 -3.97 -0.35 0.00 -2.02 0.00 0.00 58.31 51.96 3mee n LYS 20 Cb 0.45 -1.76 -0.08 0.00 -0.02 0.00 0.00 35.03 33.62 3mee n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mee s VAL 21 N -2.04 5.04 0.28 -0.18 1.01 0.44 -4.83 120.40 120.12 3mee s VAL 21 Ca 0.38 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 3mee s VAL 21 Cb 0.18 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 3mee s VAL 21 CO -0.07 0.53 0.74 -1.59 0.00 0.00 0.00 175.10 174.71 3mee s LYS 22 N -0.23 4.12 0.19 2.72 -2.85 -1.26 -3.87 119.74 118.55 3mee s LYS 22 Ca 0.09 0.77 -0.30 0.00 -1.00 0.00 0.00 55.97 55.53 3mee s LYS 22 Cb -0.12 -2.62 -0.08 0.00 -2.06 0.00 0.00 37.83 32.95 3mee s LYS 22 CO 0.01 0.25 1.19 -1.14 0.10 0.00 0.00 175.35 175.77 3mee s GLN 23 N -2.55 4.50 0.59 1.78 2.00 -1.26 -4.64 119.66 120.08 3mee s GLN 23 Ca 0.50 1.87 -0.14 0.00 -2.00 0.00 0.00 55.36 55.58 3mee s GLN 23 Cb -0.13 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 3mee s GLN 23 CO 0.19 -0.07 1.03 -1.58 -0.50 0.00 0.00 175.29 174.36 3mee s TRP 24 N -0.13 3.22 0.28 1.67 0.51 -1.26 -5.00 118.94 118.24 3mee s TRP 24 Ca 0.52 1.45 -0.30 0.00 -2.12 0.00 0.00 56.10 55.66 3mee s TRP 24 Cb -0.33 -2.89 -0.11 0.00 -0.81 0.00 0.00 33.47 29.34 3mee s TRP 24 CO 0.37 -0.87 1.48 -2.14 -0.51 0.00 0.00 176.95 175.28 3mee s PRO 25 N -4.40 4.22 0.24 4.98 0.02 -1.26 -4.95 135.00 133.85 3mee s PRO 25 Ca 0.60 2.40 0.12 0.00 0.02 0.00 0.00 61.00 64.14 3mee s PRO 25 Cb -0.13 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 3mee s PRO 25 CO 0.41 -0.48 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.88 3mee s LEU 26 N -0.71 2.52 0.71 -5.54 1.43 -1.26 -5.14 118.68 110.69 3mee s LEU 26 Ca 0.59 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3mee s LEU 26 Cb -0.44 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.66 3mee s LEU 26 CO 0.47 0.08 1.08 0.42 0.23 0.00 0.00 176.35 178.64 3mee s THR 27 N -2.10 3.66 0.28 5.49 -4.23 -1.26 -4.88 115.64 112.60 3mee s THR 27 Ca 0.26 0.54 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 3mee s THR 27 Cb -0.06 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.58 3mee s THR 27 CO 0.13 -0.70 1.73 -0.08 -0.54 0.00 0.00 174.62 175.15 3mee h GLU 28 N -0.68 0.51 -0.52 3.99 4.81 -2.00 -2.33 114.58 118.36 3mee h GLU 28 Ca -0.45 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 58.63 3mee h GLU 28 Cb 1.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3mee h GLU 28 CO 0.62 0.34 -0.13 0.93 -0.73 0.00 0.00 179.01 180.04 3mee h GLU 29 N 0.53 0.98 -0.33 1.92 5.08 -1.99 -1.59 114.58 119.18 3mee h GLU 29 Ca 0.54 -0.37 -0.18 0.00 -1.00 0.00 0.00 59.36 58.35 3mee h GLU 29 Cb 0.92 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3mee h GLU 29 CO -0.45 1.04 -0.48 0.87 -1.00 0.00 0.00 179.01 178.99 3mee h LYS 30 N 0.87 0.91 0.06 2.33 1.79 -1.80 -1.36 116.57 119.36 3mee h LYS 30 Ca 0.13 -0.53 -0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3mee h LYS 30 Cb 0.69 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3mee h LYS 30 CO 0.05 1.18 -0.03 0.82 -1.08 0.00 0.00 179.45 180.39 3mee h ILE 31 N 0.71 0.98 -0.36 1.86 2.04 -1.31 0.54 117.51 121.98 3mee h ILE 31 Ca 0.03 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3mee h ILE 31 Cb 1.08 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 3mee h ILE 31 CO 0.11 0.04 -0.33 0.11 0.00 0.00 0.00 178.15 178.07 3mee h LYS 32 N -0.15 -0.27 -0.25 2.37 1.57 -1.24 0.19 116.57 118.79 3mee h LYS 32 Ca -0.01 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3mee h LYS 32 Cb 0.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3mee h LYS 32 CO 0.01 -0.18 -0.06 0.00 -0.57 0.00 0.00 179.45 178.66 3mee h ALA 33 N 0.68 1.44 -0.08 3.86 0.00 -0.71 -1.99 119.26 122.45 3mee h ALA 33 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3mee h ALA 33 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3mee h ALA 33 CO -0.51 0.39 -0.50 -0.07 0.00 0.00 0.00 179.25 178.56 3mee h LEU 34 N 0.37 0.24 0.08 0.00 3.38 0.11 -2.14 115.31 117.35 3mee h LEU 34 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3mee h LEU 34 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3mee h LEU 34 CO 0.02 0.71 -0.04 0.58 0.09 0.00 0.00 178.44 179.79 3mee h VAL 35 N 0.18 1.18 -0.05 1.22 2.07 -0.29 -1.86 116.25 118.70 3mee h VAL 35 Ca 0.01 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3mee h VAL 35 Cb 0.95 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 3mee h VAL 35 CO 0.08 0.24 -0.51 -0.33 0.02 0.00 0.00 177.57 177.06 3mee h GLU 36 N -0.57 -0.60 -0.83 1.57 5.08 -1.35 -0.06 114.58 117.82 3mee h GLU 36 Ca -0.01 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 3mee h GLU 36 Cb 0.48 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 3mee h GLU 36 CO 0.02 -0.40 0.42 0.82 -1.00 0.00 0.00 179.01 178.87 3mee h ILE 37 N -0.63 0.74 0.03 3.13 2.04 -1.46 -2.78 117.51 118.58 3mee h ILE 37 Ca 0.03 -0.21 -0.21 0.00 1.00 0.00 0.00 64.86 65.46 3mee h ILE 37 Cb 0.70 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3mee h ILE 37 CO -0.38 0.11 -0.96 0.00 0.00 0.00 0.00 178.15 176.92 3mee h THR 39 N 0.09 1.29 -0.36 0.00 1.35 -0.82 -0.64 112.91 113.82 3mee h THR 39 Ca -0.06 -1.39 -0.07 0.00 -0.55 0.00 0.00 66.41 64.34 3mee h THR 39 Cb 1.63 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 3mee h THR 39 CO 0.15 0.42 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.69 3mee h GLU 40 N 0.25 0.68 0.00 4.72 4.81 -1.35 -2.25 114.58 121.43 3mee h GLU 40 Ca 0.03 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 3mee h GLU 40 Cb 0.74 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3mee h GLU 40 CO 0.06 0.82 -0.28 0.52 -0.73 0.00 0.00 179.01 179.40 3mee h MET 41 N 0.47 0.00 -0.22 1.92 2.86 -1.06 -2.63 114.93 116.28 3mee h MET 41 Ca 0.09 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 3mee h MET 41 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3mee h MET 41 CO 0.03 0.28 -0.41 1.49 1.06 0.00 0.00 176.91 179.37 3mee h GLU 42 N 0.00 0.66 -0.00 1.72 4.81 -0.85 0.58 114.58 121.50 3mee h GLU 42 Ca -0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3mee h GLU 42 Cb 0.54 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3mee h GLU 42 CO 0.04 1.04 -0.05 0.36 -0.73 0.00 0.00 179.01 179.67 3mee n LYS 43 N -4.22 0.43 -0.09 1.92 2.85 -0.87 -1.74 118.16 116.45 3mee n LYS 43 Ca -0.05 -0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.27 3mee n LYS 43 Cb 0.54 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.70 3mee n LYS 43 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3mee n GLU 44 N -1.23 2.13 -1.06 -1.58 1.02 -1.00 -4.96 120.64 113.96 3mee n GLU 44 Ca 0.13 -1.69 -0.02 0.00 -0.02 0.00 0.00 57.16 55.57 3mee n GLU 44 Cb 0.26 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3mee n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mee n GLY 45 N 1.32 0.53 0.10 0.62 0.00 -0.71 -4.91 105.19 102.15 3mee n GLY 45 Ca 0.17 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3mee n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mee h LYS 46 N 0.47 0.24 -5.43 1.61 1.57 -1.11 -3.42 116.57 110.50 3mee h LYS 46 Ca -0.04 -0.39 -0.42 0.00 -1.87 0.00 0.00 60.65 57.93 3mee h LYS 46 Cb 0.28 0.14 -0.18 0.00 0.08 0.00 0.00 32.23 32.55 3mee h LYS 46 CO 0.06 1.17 -0.76 0.96 -0.57 0.00 0.00 179.45 180.31 3mee s ILE 47 N -2.73 1.33 0.02 1.86 -4.36 -1.20 0.74 121.20 116.86 3mee s ILE 47 Ca -0.03 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 3mee s ILE 47 Cb 0.08 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 3mee s ILE 47 CO 0.87 -0.41 -0.13 -0.44 0.24 0.00 0.00 174.94 175.08 3mee s SER 48 N -2.43 1.49 0.64 4.36 0.01 -0.77 -4.32 113.70 112.68 3mee s SER 48 Ca 0.09 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 56.82 3mee s SER 48 Cb -0.05 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3mee s SER 48 CO 0.03 0.08 1.27 0.29 0.41 0.00 0.00 173.24 175.31 3mee n LYS 49 N 2.32 1.11 -4.34 12.44 5.02 -1.26 -1.03 118.16 132.41 3mee n LYS 49 Ca -0.16 0.44 -0.18 0.00 -2.02 0.00 0.00 58.31 56.39 3mee n LYS 49 Cb 0.55 -2.50 -0.10 0.00 -0.02 0.00 0.00 35.03 32.96 3mee n LYS 49 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3mee s ILE 50 N -1.39 1.35 0.53 -0.18 -4.36 -0.97 -4.80 121.20 111.38 3mee s ILE 50 Ca 0.82 -2.10 0.09 0.00 -0.26 0.00 0.00 60.65 59.20 3mee s ILE 50 Cb -0.38 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.18 3mee s ILE 50 CO 0.41 -0.46 0.67 -0.83 0.24 0.00 0.00 174.94 174.96 3mee s GLY 51 N -3.31 1.89 0.00 6.27 0.00 -1.26 -4.78 107.32 106.13 3mee s GLY 51 Ca 0.25 -1.91 0.15 0.00 0.00 0.00 0.00 44.72 43.21 3mee s GLY 51 CO 0.07 -1.69 1.44 -1.55 0.00 0.00 0.00 173.10 171.37 3mee n PRO 52 N -2.05 0.16 0.00 2.90 -0.04 -1.26 -2.33 135.00 132.38 3mee n PRO 52 Ca 0.11 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.88 3mee n PRO 52 Cb 0.61 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.32 3mee n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3mee n GLU 53 N -1.34 0.45 -3.36 0.54 0.00 -1.26 -4.28 120.64 111.40 3mee n GLU 53 Ca 0.06 0.01 -0.43 0.00 0.00 0.00 0.00 57.16 56.81 3mee n GLU 53 Cb 0.13 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.98 3mee n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3mee s ASN 54 N -2.53 6.18 0.00 -1.84 3.84 -0.98 -4.95 114.94 114.66 3mee s ASN 54 Ca 0.29 -0.62 0.20 0.00 0.21 0.00 0.00 52.86 52.94 3mee s ASN 54 Cb 0.20 -2.21 0.59 0.00 -0.55 0.00 0.00 41.25 39.28 3mee s ASN 54 CO 0.43 -0.51 1.46 -0.81 -2.79 0.00 0.00 177.10 174.89 3mee n PRO 55 N 5.49 1.98 -3.34 0.43 -0.04 -1.26 -4.95 135.00 133.31 3mee n PRO 55 Ca -0.08 -1.49 -0.29 0.00 -0.04 0.00 0.00 63.50 61.60 3mee n PRO 55 Cb 0.48 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3mee n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mee s TYR 56 N -1.64 3.48 -0.17 0.54 2.02 -1.26 -4.83 117.35 115.49 3mee s TYR 56 Ca 0.33 0.64 -0.20 0.00 -0.37 0.00 0.00 57.07 57.48 3mee s TYR 56 Cb 0.18 -2.10 0.05 0.00 -0.40 0.00 0.00 41.96 39.69 3mee s TYR 56 CO 0.26 0.18 0.53 1.21 -1.57 0.00 0.00 175.55 176.16 3mee s ASN 57 N -3.15 -0.54 0.07 2.29 2.47 -0.23 -4.68 114.94 111.18 3mee s ASN 57 Ca 0.44 0.95 0.06 0.00 0.42 0.00 0.00 52.86 54.73 3mee s ASN 57 Cb -0.11 0.96 -0.03 0.00 -1.45 0.00 0.00 41.25 40.63 3mee s ASN 57 CO 0.30 -0.26 -0.16 0.42 -3.72 0.00 0.00 177.10 173.67 3mee s THR 58 N -0.04 1.31 0.60 -5.21 -4.23 -0.11 -0.42 115.64 107.54 3mee s THR 58 Ca -0.03 -1.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.01 3mee s THR 58 Cb -0.03 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 3mee s THR 58 CO 0.02 -0.12 1.10 -2.16 -0.54 0.00 0.00 174.62 172.93 3mee s PRO 59 N -1.65 3.14 0.07 3.99 0.04 -1.26 -4.19 135.00 135.15 3mee s PRO 59 Ca 0.01 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.49 3mee s PRO 59 Cb -0.10 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3mee s PRO 59 CO 0.03 -0.98 -0.07 0.08 0.04 0.00 0.00 177.00 176.10 3mee s VAL 60 N -2.17 0.58 0.35 -0.36 1.01 -1.26 -1.24 120.40 117.30 3mee s VAL 60 Ca 0.68 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 3mee s VAL 60 Cb -0.20 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.01 3mee s VAL 60 CO 0.35 -0.69 0.79 0.72 0.00 0.00 0.00 175.10 176.27 3mee s PHE 61 N -2.72 0.04 -0.07 5.22 -0.71 -0.30 -4.82 117.98 114.62 3mee s PHE 61 Ca 0.02 -0.64 0.03 0.00 -1.04 0.00 0.00 56.93 55.30 3mee s PHE 61 Cb -0.01 0.80 -0.02 0.00 -1.21 0.00 0.00 43.02 42.58 3mee s PHE 61 CO -0.03 -1.45 -0.15 0.00 -1.34 0.00 0.00 175.22 172.25 3mee s ALA 62 N -2.71 2.60 0.19 1.99 0.00 -1.26 -0.20 121.76 122.38 3mee s ALA 62 Ca 0.15 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.22 3mee s ALA 62 Cb -0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3mee s ALA 62 CO 0.10 0.47 -0.17 0.96 0.00 0.00 0.00 175.76 177.12 3mee s ILE 63 N -0.43 1.86 -0.67 0.00 -4.36 -0.36 -4.95 121.20 112.31 3mee s ILE 63 Ca 0.05 -2.09 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3mee s ILE 63 Cb -0.12 -1.98 0.43 0.00 1.25 0.00 0.00 42.46 42.04 3mee s ILE 63 CO 0.02 -0.44 1.93 0.29 0.24 0.00 0.00 174.94 176.98 3mee n LYS 64 N -0.08 2.81 0.00 0.37 5.02 -1.26 0.24 118.16 125.27 3mee n LYS 64 Ca -0.10 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.73 3mee n LYS 64 Cb 0.59 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3mee n LYS 64 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mee n LYS 65 N -0.80 0.00 -0.36 1.97 4.76 -1.26 -4.70 118.16 117.77 3mee n LYS 65 Ca 0.58 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 3mee n LYS 65 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 3mee n LYS 65 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3mee n SER 68 N 2.02 0.00 -4.41 4.39 3.41 -1.26 -4.31 113.62 113.46 3mee n SER 68 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 3mee n SER 68 Cb 0.00 -1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 62.84 3mee n SER 68 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mee s THR 69 N -3.48 5.01 -0.27 6.66 -4.23 -1.26 -4.90 115.64 113.16 3mee s THR 69 Ca 0.00 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 3mee s THR 69 Cb 0.00 -4.69 0.13 0.00 1.34 0.00 0.00 72.50 69.28 3mee s THR 69 CO 0.00 -1.37 0.58 -0.54 -0.54 0.00 0.00 174.62 172.75 3mee s LYS 70 N 1.89 0.51 0.26 3.99 1.02 -1.26 -5.15 119.74 121.00 3mee s LYS 70 Ca 0.28 1.25 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 3mee s LYS 70 Cb -0.06 0.64 -0.10 0.00 -0.52 0.00 0.00 37.83 37.79 3mee s LYS 70 CO -0.09 -0.30 1.32 -1.58 -0.92 0.00 0.00 175.35 173.78 3mee s TRP 71 N 2.81 3.15 0.03 3.18 0.52 -1.26 -4.45 118.94 122.93 3mee s TRP 71 Ca 0.00 1.28 0.06 0.00 0.02 0.00 0.00 56.10 57.46 3mee s TRP 71 Cb -0.13 -3.66 -0.02 0.00 -1.15 0.00 0.00 33.47 28.52 3mee s TRP 71 CO -0.18 -1.95 -0.18 0.50 0.02 0.00 0.00 176.95 175.16 3mee s ARG 72 N -0.85 1.23 0.13 4.98 3.52 0.14 -4.98 118.95 123.11 3mee s ARG 72 Ca 0.54 -0.83 -0.23 0.00 -0.13 0.00 0.00 55.73 55.07 3mee s ARG 72 Cb -0.38 -1.29 -0.07 0.00 -1.56 0.00 0.00 34.95 31.65 3mee s ARG 72 CO 0.45 0.33 0.71 0.21 -0.81 0.00 0.00 175.30 176.19 3mee s LYS 73 N -1.06 4.45 -0.06 5.12 2.20 -1.26 -1.22 119.74 127.91 3mee s LYS 73 Ca 0.05 1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 56.68 3mee s LYS 73 Cb -0.08 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3mee s LYS 73 CO 0.01 0.57 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.37 3mee s LEU 74 N -1.04 1.02 -0.17 5.43 2.96 0.72 -4.92 118.68 122.68 3mee s LEU 74 Ca 0.34 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 3mee s LEU 74 Cb -0.22 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 3mee s LEU 74 CO 0.24 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.49 3mee s VAL 75 N 1.40 4.53 -1.05 1.68 1.01 -1.26 -1.15 120.40 125.56 3mee s VAL 75 Ca -0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 3mee s VAL 75 Cb -0.13 -3.02 0.10 0.00 0.00 0.00 0.00 36.38 33.33 3mee s VAL 75 CO -0.03 0.47 1.35 -0.62 0.00 0.00 0.00 175.10 176.28 3mee s ASP 76 N 0.36 6.69 -0.08 3.32 3.68 -0.38 -4.84 116.67 125.42 3mee s ASP 76 Ca 0.01 -2.07 0.06 0.00 2.13 0.00 0.00 52.55 52.68 3mee s ASP 76 Cb -0.13 -2.47 0.32 0.00 -1.45 0.00 0.00 42.92 39.18 3mee s ASP 76 CO 0.01 -1.16 1.05 0.49 0.13 0.00 0.00 175.17 175.69 3mee n PHE 77 N 7.35 0.75 -0.35 -5.34 3.72 -1.26 -4.33 117.46 117.99 3mee n PHE 77 Ca 0.32 -0.27 0.11 0.00 -0.05 0.00 0.00 57.45 57.56 3mee n PHE 77 Cb 0.48 -0.21 0.30 0.00 -0.94 0.00 0.00 39.48 39.12 3mee n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mee h ARG 78 N 1.64 0.80 0.03 -1.08 3.08 -1.89 0.59 114.38 117.55 3mee h ARG 78 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3mee h ARG 78 Cb 0.95 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3mee h ARG 78 CO 0.16 0.53 -0.01 1.49 -1.07 0.00 0.00 179.97 181.06 3mee h GLU 79 N 0.82 -0.03 -0.71 0.04 4.57 -2.00 -1.73 114.58 115.55 3mee h GLU 79 Ca 0.55 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.88 3mee h GLU 79 Cb 0.79 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.28 3mee h GLU 79 CO -0.34 0.66 0.19 1.25 -1.18 0.00 0.00 179.01 179.59 3mee h LEU 80 N -0.80 0.05 -0.40 1.64 6.46 -1.80 0.19 115.31 120.65 3mee h LEU 80 Ca -0.00 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3mee h LEU 80 Cb 0.71 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 3mee h LEU 80 CO 0.01 -0.01 0.21 0.78 -0.62 0.00 0.00 178.44 178.82 3mee h ASN 81 N 0.30 0.50 -0.11 1.25 -0.26 0.21 -0.56 115.58 116.91 3mee h ASN 81 Ca 0.39 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 56.04 3mee h ASN 81 Cb 0.65 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 3mee h ASN 81 CO -0.47 0.45 0.07 0.50 -1.06 0.00 0.00 177.43 176.91 3mee h LYS 82 N 0.51 0.17 -0.33 0.81 3.64 -0.59 -2.03 116.57 118.75 3mee h LYS 82 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3mee h LYS 82 Cb 0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3mee h LYS 82 CO -0.02 0.13 0.00 0.54 -2.27 0.00 0.00 179.45 177.83 3mee n ARG 83 N -4.50 2.23 0.00 1.90 1.74 -0.01 -3.53 116.66 114.48 3mee n ARG 83 Ca -0.01 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 3mee n ARG 83 Cb 0.09 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3mee n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3mee n THR 84 N 1.07 0.07 -0.28 0.55 -2.24 -0.50 -2.61 114.28 110.34 3mee n THR 84 Ca 0.18 -0.41 0.20 0.00 -2.27 0.00 0.00 64.05 61.75 3mee n THR 84 Cb 0.50 1.19 0.49 0.00 -2.10 0.00 0.00 70.33 70.42 3mee n THR 84 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3mee h GLN 85 N 0.00 0.43 -0.77 -0.78 4.15 -1.42 0.36 115.11 117.08 3mee h GLN 85 Ca 0.00 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.44 3mee h GLN 85 Cb 0.18 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 3mee h GLN 85 CO 0.00 0.28 0.51 0.22 -1.93 0.00 0.00 178.83 177.91 3mee h ASP 86 N 0.44 0.77 0.35 -0.69 3.58 -1.88 -2.89 116.42 116.10 3mee h ASP 86 Ca 0.52 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.95 3mee h ASP 86 Cb 1.26 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3mee h ASP 86 CO -0.23 0.52 -0.17 0.15 -2.88 0.00 0.00 179.24 176.63 3mee h PHE 87 N 0.89 -0.44 -0.05 0.28 3.57 -0.60 -0.67 116.94 119.93 3mee h PHE 87 Ca 0.32 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3mee h PHE 87 Cb 0.14 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3mee h PHE 87 CO -0.00 -0.14 0.00 -2.67 -2.23 0.00 0.00 178.31 173.27 3mee n TRP 88 N -5.20 0.06 0.00 0.41 4.27 -1.20 -3.68 117.44 112.11 3mee n TRP 88 Ca -0.10 -0.03 0.00 0.00 -3.89 0.00 0.00 57.50 53.48 3mee n TRP 88 Cb 0.26 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.21 3mee n TRP 88 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 3mee n GLU 89 N -0.47 0.00 -0.67 -2.67 2.13 -1.10 -4.61 120.64 113.25 3mee n GLU 89 Ca 0.10 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.98 3mee n GLU 89 Cb 0.10 -0.64 0.15 0.00 0.27 0.00 0.00 31.44 31.31 3mee n GLU 89 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3mee n VAL 90 N -2.56 1.61 0.00 6.31 0.24 -0.26 -4.45 118.33 119.21 3mee n VAL 90 Ca 0.00 -2.47 0.00 0.00 -2.04 0.00 0.00 64.34 59.83 3mee n VAL 90 Cb 0.38 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 3mee n VAL 90 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3mee n GLN 91 N -0.80 0.00 -4.87 7.34 0.00 -1.23 -4.96 117.38 112.86 3mee n GLN 91 Ca 0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.84 3mee n GLN 91 Cb 0.77 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.87 3mee n GLN 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3mee s LEU 92 N -2.86 2.32 0.23 1.69 1.98 -1.26 -5.14 118.68 115.65 3mee s LEU 92 Ca 0.00 -0.50 -0.16 0.00 -2.89 0.00 0.00 54.13 50.57 3mee s LEU 92 Cb 0.00 -1.38 0.01 0.00 0.66 0.00 0.00 46.19 45.48 3mee s LEU 92 CO 0.00 0.27 0.54 -0.83 -1.89 0.00 0.00 176.35 174.44 3mee s GLY 93 N -1.21 0.17 -0.29 7.98 0.00 -1.26 -4.25 107.32 108.45 3mee s GLY 93 Ca 0.12 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 3mee s GLY 93 CO 0.03 -0.38 0.20 -0.42 0.00 0.00 0.00 173.10 172.53 3mee s ILE 94 N -3.94 5.28 0.31 0.90 1.01 -1.26 -5.06 121.20 118.43 3mee s ILE 94 Ca 0.15 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 3mee s ILE 94 Cb -0.02 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3mee s ILE 94 CO 0.04 0.19 1.32 -2.84 0.00 0.00 0.00 174.94 173.65 3mee s PRO 95 N 1.75 4.35 -0.33 2.79 0.02 -1.26 -5.02 135.00 137.30 3mee s PRO 95 Ca 0.07 2.21 -0.13 0.00 0.02 0.00 0.00 61.00 63.16 3mee s PRO 95 Cb -0.16 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 3mee s PRO 95 CO 0.11 -0.21 0.27 -1.58 -0.33 0.00 0.00 177.00 175.26 3mee s HIS 96 N -0.92 3.22 0.10 6.54 2.46 -1.26 -4.91 115.29 120.53 3mee s HIS 96 Ca 0.51 -0.08 -0.30 0.00 0.47 0.00 0.00 55.06 55.66 3mee s HIS 96 Cb -0.40 -2.52 -0.06 0.00 -0.13 0.00 0.00 32.58 29.47 3mee s HIS 96 CO 0.50 -0.34 1.15 -1.25 -2.47 0.00 0.00 174.74 172.33 3mee s PRO 97 N 1.83 4.50 0.28 2.88 0.04 -1.26 -4.93 135.00 138.33 3mee s PRO 97 Ca 0.08 1.73 0.26 0.00 0.04 0.00 0.00 61.00 63.11 3mee s PRO 97 Cb -0.17 -3.33 0.82 0.00 0.04 0.00 0.00 34.50 31.86 3mee s PRO 97 CO 0.11 -0.13 1.75 0.00 0.04 0.00 0.00 177.00 178.77 3mee h ALA 98 N 6.20 1.00 0.00 8.56 0.00 -1.95 -3.21 119.26 129.87 3mee h ALA 98 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3mee h ALA 98 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mee h ALA 98 CO 0.78 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.81 3mee h GLY 99 N 3.76 0.00 0.69 0.00 0.00 -1.96 -3.32 103.07 102.24 3mee h GLY 99 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3mee h GLY 99 CO 0.00 0.00 0.33 -2.00 0.00 0.00 0.00 176.54 174.87 3mee h LEU 100 N 0.00 0.48 -0.39 3.11 5.85 -1.87 -1.55 115.31 120.93 3mee h LEU 100 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3mee h LEU 100 Cb 0.74 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3mee h LEU 100 CO 0.00 0.32 0.00 2.29 -0.34 0.00 0.00 178.44 180.71 3mee n LYS 101 N -4.83 0.14 0.11 1.25 2.85 -1.25 -2.33 118.16 114.11 3mee n LYS 101 Ca 0.07 0.33 0.09 0.00 -1.05 0.00 0.00 58.31 57.74 3mee n LYS 101 Cb 0.16 -1.74 0.01 0.00 -0.65 0.00 0.00 35.03 32.81 3mee n LYS 101 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3mee h LYS 102 N 0.00 0.00 -7.02 -1.58 1.57 -1.49 -3.21 116.57 104.84 3mee h LYS 102 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3mee h LYS 102 Cb 0.38 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.81 3mee h LYS 102 CO 0.00 0.10 0.61 0.15 -0.57 0.00 0.00 179.45 179.74 3mee s LYS 103 N -3.22 3.40 0.35 3.15 -0.14 -0.98 -4.42 119.74 117.88 3mee s LYS 103 Ca 0.01 2.21 0.09 0.00 -1.36 0.00 0.00 55.97 56.92 3mee s LYS 103 Cb 0.08 -2.40 0.63 0.00 -1.68 0.00 0.00 37.83 34.47 3mee s LYS 103 CO 0.77 -0.97 1.81 0.87 -0.76 0.00 0.00 175.35 177.06 3mee h LYS 104 N 1.82 0.18 -3.52 1.68 1.57 -1.84 -2.80 116.57 113.65 3mee h LYS 104 Ca -0.51 -0.06 -0.35 0.00 -1.87 0.00 0.00 60.65 57.86 3mee h LYS 104 Cb 1.28 -0.01 -0.36 0.00 0.08 0.00 0.00 32.23 33.22 3mee h LYS 104 CO 0.59 0.47 -0.74 -1.12 -0.57 0.00 0.00 179.45 178.08 3mee s SER 105 N -6.89 0.66 -0.14 0.86 0.01 -0.73 -4.38 113.70 103.08 3mee s SER 105 Ca -0.04 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.25 3mee s SER 105 Cb 0.14 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 3mee s SER 105 CO 0.75 -0.17 -0.17 -0.69 0.41 0.00 0.00 173.24 173.37 3mee s VAL 106 N 1.50 2.52 -0.08 3.43 1.01 0.03 -1.32 120.40 127.49 3mee s VAL 106 Ca -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3mee s VAL 106 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3mee s VAL 106 CO -0.03 0.53 -0.01 -0.89 0.00 0.00 0.00 175.10 174.70 3mee s THR 107 N 0.73 4.19 -0.23 3.92 2.01 0.12 0.16 115.64 126.54 3mee s THR 107 Ca -0.07 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 3mee s THR 107 Cb -0.16 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 3mee s THR 107 CO 0.01 0.60 0.01 -0.69 -0.69 0.00 0.00 174.62 173.86 3mee s VAL 108 N -0.84 3.81 -0.07 3.82 1.01 -0.51 -0.69 120.40 126.93 3mee s VAL 108 Ca 0.13 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3mee s VAL 108 Cb -0.11 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3mee s VAL 108 CO 0.02 0.39 -0.21 -0.76 0.00 0.00 0.00 175.10 174.54 3mee s LEU 109 N 1.47 1.98 -0.24 3.92 1.43 -0.14 -2.92 118.68 124.17 3mee s LEU 109 Ca 0.05 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 3mee s LEU 109 Cb -0.15 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3mee s LEU 109 CO 0.00 0.17 1.03 -0.62 0.23 0.00 0.00 176.35 177.16 3mee s ASP 110 N 0.13 7.06 -0.10 2.29 -1.08 -1.26 -0.16 116.67 123.55 3mee s ASP 110 Ca -0.09 1.31 0.15 0.00 -0.52 0.00 0.00 52.55 53.40 3mee s ASP 110 Cb -0.15 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.01 3mee s ASP 110 CO 0.05 -0.68 1.11 1.33 0.52 0.00 0.00 175.17 177.49 3mee n VAL 111 N 5.38 1.54 0.23 1.11 0.24 0.11 -4.77 118.33 122.17 3mee n VAL 111 Ca 0.11 -1.83 0.07 0.00 -2.04 0.00 0.00 64.34 60.65 3mee n VAL 111 Cb 0.46 -0.06 0.58 0.00 -1.47 0.00 0.00 33.84 33.35 3mee n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3mee h GLY 112 N 0.00 0.05 1.74 7.63 0.00 -1.75 -1.16 103.07 109.58 3mee h GLY 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3mee h GLY 112 CO 0.00 0.02 0.00 1.34 0.00 0.00 0.00 176.54 177.90 3mee n ASP 113 N -4.46 0.00 0.13 0.19 2.03 -1.26 -1.70 116.55 111.47 3mee n ASP 113 Ca -0.02 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.59 3mee n ASP 113 Cb 0.14 -0.37 0.09 0.00 -0.72 0.00 0.00 41.12 40.26 3mee n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mee h ALA 114 N 2.35 0.72 0.00 -1.67 0.00 -1.40 -3.29 119.26 115.97 3mee h ALA 114 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 3mee h ALA 114 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mee h ALA 114 CO 0.00 0.78 -0.19 1.88 0.00 0.00 0.00 179.25 181.72 3mee h TYR 115 N 0.00 0.00 0.00 0.00 0.99 -1.52 -3.02 116.97 113.42 3mee h TYR 115 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3mee h TYR 115 Cb 1.32 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.05 3mee h TYR 115 CO 0.00 0.19 0.00 1.19 -0.00 0.00 0.00 178.16 179.54 3mee n PHE 116 N -3.46 0.00 -0.01 4.88 3.01 -1.24 -1.69 117.46 118.95 3mee n PHE 116 Ca -0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 3mee n PHE 116 Cb 0.37 -0.23 0.21 0.00 -0.01 0.00 0.00 39.48 39.81 3mee n PHE 116 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3mee n SER 117 N -1.23 3.27 -4.24 4.37 3.41 -1.14 -4.87 113.62 113.19 3mee n SER 117 Ca 0.06 -1.94 -0.32 0.00 -0.26 0.00 0.00 58.87 56.41 3mee n SER 117 Cb 0.08 -0.28 -0.17 0.00 -0.26 0.00 0.00 64.21 63.58 3mee n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mee s VAL 118 N -1.14 2.09 0.32 -3.33 1.01 -0.68 -5.06 120.40 113.61 3mee s VAL 118 Ca 0.34 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3mee s VAL 118 Cb 0.19 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 3mee s VAL 118 CO 0.25 0.56 1.27 -2.84 0.00 0.00 0.00 175.10 174.34 3mee s PRO 119 N 0.21 4.41 0.05 2.72 0.02 -1.26 -1.19 135.00 139.96 3mee s PRO 119 Ca -0.15 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.89 3mee s PRO 119 Cb -0.17 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 3mee s PRO 119 CO 0.08 -0.12 0.41 -1.17 -0.33 0.00 0.00 177.00 175.86 3mee s LEU 120 N -1.68 4.39 -0.25 -5.54 2.96 0.50 -4.61 118.68 114.44 3mee s LEU 120 Ca 0.48 0.85 -0.39 0.00 -0.22 0.00 0.00 54.13 54.85 3mee s LEU 120 Cb -0.38 -2.86 -0.15 0.00 0.50 0.00 0.00 46.19 43.30 3mee s LEU 120 CO 0.50 0.22 1.78 -0.67 -1.32 0.00 0.00 176.35 176.86 3mee n ASP 121 N 1.20 2.59 -0.23 3.68 2.03 -1.26 -4.80 116.55 119.75 3mee n ASP 121 Ca -0.10 1.05 0.11 0.00 0.52 0.00 0.00 54.79 56.37 3mee n ASP 121 Cb 0.52 -1.18 0.39 0.00 -0.72 0.00 0.00 41.12 40.13 3mee n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3mee h GLU 122 N 7.63 0.65 -0.00 -0.67 5.08 -1.94 0.11 114.58 125.43 3mee h GLU 122 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3mee h GLU 122 Cb 1.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3mee h GLU 122 CO 0.96 0.43 -0.01 -0.25 -1.00 0.00 0.00 179.01 179.14 3mee n ASP 123 N -4.52 0.01 0.02 1.42 10.43 -1.26 -2.96 116.55 119.68 3mee n ASP 123 Ca 0.15 0.25 0.10 0.00 2.57 0.00 0.00 54.79 57.86 3mee n ASP 123 Cb 0.41 -0.41 -0.12 0.00 1.84 0.00 0.00 41.12 42.84 3mee n ASP 123 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3mee n PHE 124 N -1.42 0.30 -0.33 1.24 7.35 0.32 -4.54 117.46 120.38 3mee n PHE 124 Ca 0.10 0.09 0.19 0.00 -0.76 0.00 0.00 57.45 57.06 3mee n PHE 124 Cb 0.30 -0.67 0.44 0.00 0.35 0.00 0.00 39.48 39.90 3mee n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3mee h ARG 125 N 0.00 0.51 0.00 -4.13 3.08 -1.32 -1.44 114.38 111.08 3mee h ARG 125 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3mee h ARG 125 Cb 1.09 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3mee h ARG 125 CO 0.00 0.34 -0.09 1.57 -1.07 0.00 0.00 179.97 180.72 3mee h LYS 126 N 0.52 0.00 0.00 0.04 2.10 -1.80 0.01 116.57 117.45 3mee h LYS 126 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3mee h LYS 126 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3mee h LYS 126 CO -0.35 0.09 0.00 0.66 -2.00 0.00 0.00 179.45 177.86 3mee n TYR 127 N -3.85 0.00 -1.06 0.07 4.01 -0.54 -2.88 117.16 112.90 3mee n TYR 127 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 3mee n TYR 127 Cb 0.19 -0.48 0.30 0.00 -0.31 0.00 0.00 39.34 39.03 3mee n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3mee n THR 128 N -1.48 2.98 -2.16 -0.72 -2.24 -0.01 -4.70 114.28 105.95 3mee n THR 128 Ca 0.05 -1.65 -0.41 0.00 -2.27 0.00 0.00 64.05 59.77 3mee n THR 128 Cb 0.23 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 3mee n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mee s ALA 129 N -3.02 3.51 0.15 6.98 0.00 -1.14 -4.20 121.76 124.03 3mee s ALA 129 Ca 0.56 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 3mee s ALA 129 Cb 0.45 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3mee s ALA 129 CO 0.13 -0.58 0.15 -0.59 0.00 0.00 0.00 175.76 174.87 3mee s PHE 130 N -0.77 0.69 -0.04 0.00 -0.71 -0.71 -0.94 117.98 115.50 3mee s PHE 130 Ca 0.51 -1.06 0.04 0.00 -1.04 0.00 0.00 56.93 55.38 3mee s PHE 130 Cb -0.39 -0.32 -0.00 0.00 -1.21 0.00 0.00 43.02 41.11 3mee s PHE 130 CO 0.48 -0.61 -0.16 0.99 -1.34 0.00 0.00 175.22 174.58 3mee s THR 131 N -4.02 1.30 -0.34 -4.49 2.01 -1.26 -1.56 115.64 107.28 3mee s THR 131 Ca 0.22 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 3mee s THR 131 Cb 0.06 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3mee s THR 131 CO 0.02 0.38 0.31 -0.63 -0.69 0.00 0.00 174.62 174.00 3mee s ILE 132 N 0.04 5.22 0.71 1.82 1.01 -0.13 -4.69 121.20 125.18 3mee s ILE 132 Ca -0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 3mee s ILE 132 Cb -0.11 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.62 3mee s ILE 132 CO 0.02 -0.04 1.10 -2.16 0.00 0.00 0.00 174.94 173.86 3mee s PRO 133 N 1.89 2.81 0.24 2.79 0.04 -1.26 -1.08 135.00 140.42 3mee s PRO 133 Ca 0.09 0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.66 3mee s PRO 133 Cb -0.17 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3mee s PRO 133 CO 0.11 -1.06 -0.01 -1.54 0.04 0.00 0.00 177.00 174.54 3mee s SER 134 N -4.37 4.57 0.29 6.66 1.04 -1.26 -4.91 113.70 115.72 3mee s SER 134 Ca 0.58 -0.58 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 3mee s SER 134 Cb -0.11 -0.87 -0.10 0.00 0.10 0.00 0.00 66.02 65.04 3mee s SER 134 CO 0.52 0.03 1.29 -0.63 0.98 0.00 0.00 173.24 175.42 3mee s ILE 135 N -2.13 2.94 -1.32 -1.02 1.01 -1.26 -2.91 121.20 116.51 3mee s ILE 135 Ca 0.30 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.84 3mee s ILE 135 Cb -0.07 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3mee s ILE 135 CO 0.19 0.19 0.00 -3.20 0.00 0.00 0.00 174.94 172.12 3mee n ASN 136 N 1.42 -5.34 -3.96 3.58 5.15 -1.26 -2.44 115.26 112.41 3mee n ASN 136 Ca 0.02 0.31 -0.31 0.00 -0.60 0.00 0.00 54.58 53.99 3mee n ASN 136 Cb 0.42 -4.13 0.02 0.00 -0.53 0.00 0.00 39.78 35.57 3mee n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3mee n ASN 137 N -1.06 -4.63 0.19 1.20 5.03 -1.15 -4.86 115.26 109.99 3mee n ASN 137 Ca -0.12 -0.81 0.09 0.00 0.87 0.00 0.00 54.58 54.60 3mee n ASN 137 Cb 0.58 -3.73 0.14 0.00 -1.02 0.00 0.00 39.78 35.74 3mee n ASN 137 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3mee h GLU 138 N -2.02 0.00 -4.21 3.52 5.08 -1.73 -3.45 114.58 111.77 3mee h GLU 138 Ca -0.58 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.65 3mee h GLU 138 Cb 1.38 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.47 3mee h GLU 138 CO 0.69 0.19 -0.68 0.95 -1.00 0.00 0.00 179.01 179.15 3mee s THR 139 N -3.14 0.21 0.38 1.13 -4.23 -1.26 -5.14 115.64 103.59 3mee s THR 139 Ca 0.06 -1.70 -0.27 0.00 -1.18 0.00 0.00 61.69 58.59 3mee s THR 139 Cb 0.06 -1.37 -0.10 0.00 1.34 0.00 0.00 72.50 72.43 3mee s THR 139 CO 0.69 -0.94 1.39 -2.84 -0.54 0.00 0.00 174.62 172.38 3mee s PRO 140 N -3.62 4.10 0.82 3.99 0.02 -1.26 -4.46 135.00 134.59 3mee s PRO 140 Ca 0.04 2.36 -0.14 0.00 0.02 0.00 0.00 61.00 63.28 3mee s PRO 140 Cb 0.06 -2.92 0.04 0.00 0.02 0.00 0.00 34.50 31.70 3mee s PRO 140 CO -0.09 -0.46 0.82 0.41 -0.33 0.00 0.00 177.00 177.36 3mee n GLY 141 N 0.62 -0.93 3.53 0.52 0.00 -1.26 -4.83 105.19 102.84 3mee n GLY 141 Ca 0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3mee n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mee s ILE 142 N -2.15 5.11 -0.06 -0.61 1.01 -0.24 -4.87 121.20 119.38 3mee s ILE 142 Ca 0.67 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.30 3mee s ILE 142 Cb -0.29 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3mee s ILE 142 CO 0.57 -0.21 0.15 -0.13 0.00 0.00 0.00 174.94 175.32 3mee s ARG 143 N 2.15 3.38 0.06 2.79 1.81 -1.26 -0.96 118.95 126.92 3mee s ARG 143 Ca 0.14 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.90 3mee s ARG 143 Cb -0.16 -3.10 -0.04 0.00 -0.45 0.00 0.00 34.95 31.20 3mee s ARG 143 CO 0.13 0.72 -0.04 0.71 -0.68 0.00 0.00 175.30 176.13 3mee s TYR 144 N -1.16 0.58 0.28 -0.53 2.02 -0.60 -2.29 117.35 115.65 3mee s TYR 144 Ca 0.21 -0.88 0.09 0.00 -0.37 0.00 0.00 57.07 56.12 3mee s TYR 144 Cb -0.12 -0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 3mee s TYR 144 CO 0.11 -0.26 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.05 3mee s GLN 145 N -3.24 1.60 0.19 -0.62 -0.21 -0.20 -1.74 119.66 115.45 3mee s GLN 145 Ca 0.03 -1.77 -0.12 0.00 0.02 0.00 0.00 55.36 53.52 3mee s GLN 145 Cb 0.02 -1.46 -0.07 0.00 1.00 0.00 0.00 33.01 32.50 3mee s GLN 145 CO -0.06 0.19 0.55 0.71 -2.12 0.00 0.00 175.29 174.56 3mee s TYR 146 N -2.75 3.50 -0.09 0.91 1.51 -1.26 -1.84 117.35 117.32 3mee s TYR 146 Ca 0.29 0.97 0.11 0.00 -1.01 0.00 0.00 57.07 57.43 3mee s TYR 146 Cb -0.00 -2.32 -0.16 0.00 -0.11 0.00 0.00 41.96 39.37 3mee s TYR 146 CO 0.13 0.34 0.28 0.09 -1.11 0.00 0.00 175.55 175.27 3mee n ASN 147 N 0.28 2.17 -4.53 2.29 3.02 0.23 -4.76 115.26 113.95 3mee n ASN 147 Ca -0.02 -0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 3mee n ASN 147 Cb 0.52 1.42 -0.11 0.00 -0.61 0.00 0.00 39.78 41.01 3mee n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3mee s VAL 148 N -2.64 1.68 -0.05 2.41 -7.23 -1.23 -0.37 120.40 112.96 3mee s VAL 148 Ca -0.03 -2.03 -0.34 0.00 -1.81 0.00 0.00 61.98 57.77 3mee s VAL 148 Cb 0.07 -2.83 -0.12 0.00 0.56 0.00 0.00 36.38 34.07 3mee s VAL 148 CO 0.45 -0.05 1.85 0.18 -0.31 0.00 0.00 175.10 177.22 3mee n LEU 149 N -0.80 3.46 -4.84 1.32 4.77 -0.33 -4.58 117.00 115.99 3mee n LEU 149 Ca -0.04 0.98 -0.33 0.00 -0.03 0.00 0.00 56.01 56.59 3mee n LEU 149 Cb 0.66 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.30 3mee n LEU 149 CO 0.45 -0.06 0.46 -2.16 -1.33 0.00 0.00 177.39 174.75 3mee s PRO 150 N 3.75 4.06 0.35 3.23 0.04 -1.26 -3.97 135.00 141.19 3mee s PRO 150 Ca 0.91 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 3mee s PRO 150 Cb -0.68 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 3mee s PRO 150 CO 0.50 0.14 1.20 -0.65 0.04 0.00 0.00 177.00 178.23 3mee s GLN 151 N -2.96 4.30 0.00 4.56 -0.21 -1.26 -3.57 119.66 120.53 3mee s GLN 151 Ca 0.55 1.97 0.00 0.00 0.02 0.00 0.00 55.36 57.90 3mee s GLN 151 Cb -0.10 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3mee s GLN 151 CO 0.17 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.61 3mee n GLY 152 N 0.83 1.59 3.72 3.09 0.00 -1.26 -4.72 105.19 108.45 3mee n GLY 152 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3mee n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3mee s TRP 153 N -2.34 3.52 -1.03 1.61 -0.00 -1.23 -4.58 118.94 114.89 3mee s TRP 153 Ca 0.00 0.89 0.15 0.00 -0.00 0.00 0.00 56.10 57.14 3mee s TRP 153 Cb 0.00 -2.54 0.65 0.00 -0.00 0.00 0.00 33.47 31.57 3mee s TRP 153 CO 0.00 0.18 1.48 1.63 -0.00 0.00 0.00 176.95 180.23 3mee n LYS 154 N 3.64 0.01 0.14 5.86 5.02 -1.26 -1.99 118.16 129.59 3mee n LYS 154 Ca -0.07 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.46 3mee n LYS 154 Cb 0.52 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.17 3mee n LYS 154 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3mee h GLY 155 N 2.57 0.00 0.86 0.72 0.00 -1.94 -3.33 103.07 101.95 3mee h GLY 155 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3mee h GLY 155 CO 0.00 0.00 0.05 1.76 0.00 0.00 0.00 176.54 178.35 3mee h SER 156 N 0.00 0.20 0.83 0.19 0.02 -1.68 -0.50 113.55 112.61 3mee h SER 156 Ca -0.01 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 3mee h SER 156 Cb 1.21 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3mee h SER 156 CO 0.08 0.34 -0.36 1.55 -1.14 0.00 0.00 176.83 177.29 3mee h PRO 157 N 0.06 0.00 -0.39 3.45 0.13 -1.75 0.04 132.00 133.53 3mee h PRO 157 Ca 0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3mee h PRO 157 Cb 0.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 3mee h PRO 157 CO -0.00 0.36 0.17 0.00 -0.23 0.00 0.00 178.00 178.30 3mee h ALA 158 N 1.64 0.50 -0.05 -0.56 0.00 -1.57 -0.40 119.26 118.82 3mee h ALA 158 Ca -0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 3mee h ALA 158 Cb 0.87 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3mee h ALA 158 CO 0.05 0.08 -0.81 0.82 0.00 0.00 0.00 179.25 179.39 3mee h ILE 159 N 0.49 1.32 0.00 0.00 2.04 -0.91 -3.13 117.51 117.31 3mee h ILE 159 Ca 0.13 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.91 3mee h ILE 159 Cb 0.15 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3mee h ILE 159 CO -0.01 0.64 0.00 0.33 0.00 0.00 0.00 178.15 179.10 3mee n PHE 160 N -4.01 0.00 -0.13 1.37 7.35 -0.02 -3.97 117.46 118.05 3mee n PHE 160 Ca -0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.55 3mee n PHE 160 Cb 0.76 -0.43 0.02 0.00 0.35 0.00 0.00 39.48 40.19 3mee n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3mee h GLN 161 N 0.00 -0.02 -0.87 -4.13 4.15 -1.01 0.83 115.11 114.07 3mee h GLN 161 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 3mee h GLN 161 Cb 0.35 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.94 3mee h GLN 161 CO 0.00 -0.01 0.43 1.03 -1.93 0.00 0.00 178.83 178.35 3mee h SER 162 N -0.02 0.48 0.74 -0.69 0.87 -1.80 0.78 113.55 113.91 3mee h SER 162 Ca 0.21 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.74 3mee h SER 162 Cb 0.34 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3mee h SER 162 CO -0.46 0.16 -0.68 0.28 -0.53 0.00 0.00 176.83 175.60 3mee h SER 163 N 0.57 0.00 -0.36 6.23 0.02 -1.20 -3.23 113.55 115.58 3mee h SER 163 Ca 0.49 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.29 3mee h SER 163 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3mee h SER 163 CO -0.41 0.68 -0.38 -0.03 -1.14 0.00 0.00 176.83 175.55 3mee h MET 164 N 0.00 0.90 -0.24 3.45 -1.53 0.12 -2.16 114.93 115.46 3mee h MET 164 Ca -0.01 -0.48 -0.14 0.00 -3.44 0.00 0.00 59.70 55.63 3mee h MET 164 Cb 1.23 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.29 3mee h MET 164 CO 0.09 1.13 -0.41 1.79 0.14 0.00 0.00 176.91 179.65 3mee h THR 165 N 0.70 1.30 -0.30 -0.77 1.35 -1.34 -1.36 112.91 112.50 3mee h THR 165 Ca 0.05 -1.59 0.02 0.00 -0.55 0.00 0.00 66.41 64.35 3mee h THR 165 Cb 0.98 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 3mee h THR 165 CO 0.09 0.50 0.15 0.50 -0.25 0.00 0.00 175.52 176.52 3mee h LYS 166 N 0.47 0.31 -0.81 4.72 3.64 -1.56 0.07 116.57 123.41 3mee h LYS 166 Ca 0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3mee h LYS 166 Cb 0.92 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 3mee h LYS 166 CO 0.08 0.20 0.53 0.82 -2.27 0.00 0.00 179.45 178.81 3mee h ILE 167 N 0.32 1.21 0.00 2.00 2.04 -1.04 -3.00 117.51 119.04 3mee h ILE 167 Ca 0.12 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3mee h ILE 167 Cb 0.03 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3mee h ILE 167 CO -0.08 0.21 -0.57 0.18 0.00 0.00 0.00 178.15 177.89 3mee n LEU 168 N -4.40 0.56 0.04 1.44 4.77 -0.54 -4.51 117.00 114.35 3mee n LEU 168 Ca 0.09 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 3mee n LEU 168 Cb 0.03 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3mee n LEU 168 CO 0.37 0.13 0.75 -0.08 -1.33 0.00 0.00 177.39 177.23 3mee h GLU 169 N 0.00 -0.24 -0.34 3.23 4.22 -0.84 0.11 114.58 120.72 3mee h GLU 169 Ca 0.00 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.52 3mee h GLU 169 Cb 0.51 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 3mee h GLU 169 CO 0.00 -0.16 -0.05 -1.35 -2.18 0.00 0.00 179.01 175.28 3mee h PRO 170 N -0.25 0.04 -0.28 0.92 0.11 -1.79 0.50 132.00 131.25 3mee h PRO 170 Ca 0.07 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3mee h PRO 170 Cb 0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3mee h PRO 170 CO -0.18 0.03 -0.21 0.35 -0.21 0.00 0.00 178.00 177.78 3mee h PHE 171 N 0.04 0.57 -0.24 0.65 3.57 -1.66 0.37 116.94 120.24 3mee h PHE 171 Ca 0.17 -0.11 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 3mee h PHE 171 Cb 0.24 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3mee h PHE 171 CO -0.28 0.69 -0.56 0.00 -2.23 0.00 0.00 178.31 175.93 3mee h ARG 172 N 0.47 0.72 -0.28 1.11 3.08 -0.52 -1.50 114.38 117.46 3mee h ARG 172 Ca 0.07 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3mee h ARG 172 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3mee h ARG 172 CO 0.04 1.09 0.11 -0.22 -1.07 0.00 0.00 179.97 179.92 3mee h LYS 173 N 0.55 0.41 0.00 0.04 3.64 -0.41 -2.91 116.57 117.90 3mee h LYS 173 Ca 0.01 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3mee h LYS 173 Cb 1.14 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3mee h LYS 173 CO 0.11 0.44 -0.01 1.96 -2.27 0.00 0.00 179.45 179.68 3mee h GLN 174 N 0.30 0.00 -2.67 1.90 4.20 -0.89 -3.36 115.11 114.59 3mee h GLN 174 Ca 0.09 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.20 3mee h GLN 174 Cb 0.18 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.56 3mee h GLN 174 CO -0.01 0.01 -0.83 -0.80 -0.67 0.00 0.00 178.83 176.53 3mee s ASN 175 N -5.78 2.77 0.55 1.46 -0.87 -0.57 -4.99 114.94 107.50 3mee s ASN 175 Ca 0.02 -2.98 0.31 0.00 -1.57 0.00 0.00 52.86 48.63 3mee s ASN 175 Cb 0.08 -0.78 1.57 0.00 -0.02 0.00 0.00 41.25 42.10 3mee s ASN 175 CO 0.56 -0.20 2.10 -0.65 -2.57 0.00 0.00 177.10 176.35 3mee h PRO 176 N 6.04 0.00 -0.02 -0.60 0.11 -1.70 -2.84 132.00 132.99 3mee h PRO 176 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3mee h PRO 176 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3mee h PRO 176 CO 0.44 0.09 -0.17 -0.25 -0.21 0.00 0.00 178.00 177.89 3mee n ASP 177 N -3.49 1.86 -4.75 -2.05 8.00 -1.26 -4.87 116.55 109.99 3mee n ASP 177 Ca -0.02 -1.47 -0.39 0.00 0.71 0.00 0.00 54.79 53.63 3mee n ASP 177 Cb 0.22 0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 3mee n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mee s ILE 178 N -2.24 4.98 -0.20 0.53 1.01 -1.07 -4.80 121.20 119.42 3mee s ILE 178 Ca 0.28 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 3mee s ILE 178 Cb 0.20 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3mee s ILE 178 CO 0.43 0.37 0.16 -0.69 0.00 0.00 0.00 174.94 175.20 3mee s VAL 179 N 0.16 5.39 -0.10 2.92 1.01 -0.34 -4.95 120.40 124.50 3mee s VAL 179 Ca 0.32 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.56 3mee s VAL 179 Cb -0.18 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3mee s VAL 179 CO 0.16 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.92 3mee s ILE 180 N 0.40 1.40 -0.02 2.22 1.01 -1.26 0.31 121.20 125.27 3mee s ILE 180 Ca 0.09 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3mee s ILE 180 Cb -0.11 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 3mee s ILE 180 CO -0.01 0.42 -0.11 -0.47 0.00 0.00 0.00 174.94 174.77 3mee s TYR 181 N 0.98 1.10 -0.11 3.97 5.04 0.10 -4.94 117.35 123.49 3mee s TYR 181 Ca -0.07 -0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 54.28 3mee s TYR 181 Cb -0.15 -0.74 -0.03 0.00 0.35 0.00 0.00 41.96 41.39 3mee s TYR 181 CO -0.01 -0.07 0.01 -1.14 -1.34 0.00 0.00 175.55 173.00 3mee s GLN 182 N -0.05 3.26 -0.15 4.97 0.74 -1.26 0.15 119.66 127.32 3mee s GLN 182 Ca 0.01 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.98 3mee s GLN 182 Cb -0.07 -2.90 0.07 0.00 1.10 0.00 0.00 33.01 31.22 3mee s GLN 182 CO 0.00 0.58 0.24 -0.47 -0.55 0.00 0.00 175.29 175.09 3mee s TYR 183 N -0.53 -0.36 0.00 1.67 5.04 -0.49 -4.99 117.35 117.68 3mee s TYR 183 Ca 0.09 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 3mee s TYR 183 Cb -0.12 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.03 3mee s TYR 183 CO 0.02 -0.43 0.00 -1.33 -1.34 0.00 0.00 175.55 172.47 3mee n MET 184 N 5.34 0.00 -0.05 4.97 2.81 -1.26 -2.08 117.12 126.85 3mee n MET 184 Ca -0.06 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.94 3mee n MET 184 Cb 0.50 0.00 0.45 0.00 -0.71 0.00 0.00 33.22 33.46 3mee n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3mee n ASP 185 N 5.25 1.06 -4.43 7.83 8.00 -1.26 -4.68 116.55 128.31 3mee n ASP 185 Ca 0.00 -1.59 -0.29 0.00 0.71 0.00 0.00 54.79 53.62 3mee n ASP 185 Cb 0.00 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 3mee n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mee s ASP 186 N -1.60 3.57 -0.13 -2.24 1.01 -0.88 0.06 116.67 116.45 3mee s ASP 186 Ca 0.31 -0.67 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 3mee s ASP 186 Cb 0.16 -0.36 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 3mee s ASP 186 CO 0.25 0.18 0.11 -0.76 0.21 0.00 0.00 175.17 175.16 3mee s LEU 187 N -2.11 4.17 -0.15 1.23 1.02 0.78 -1.40 118.68 122.21 3mee s LEU 187 Ca 0.16 0.35 -0.03 0.00 0.02 0.00 0.00 54.13 54.62 3mee s LEU 187 Cb -0.10 -2.02 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 3mee s LEU 187 CO 0.08 0.35 -0.05 -0.31 0.02 0.00 0.00 176.35 176.44 3mee s TYR 188 N -0.71 2.99 -0.18 0.29 1.51 0.40 -0.97 117.35 120.69 3mee s TYR 188 Ca 0.13 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3mee s TYR 188 Cb -0.12 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.85 3mee s TYR 188 CO 0.03 -0.04 -0.04 0.08 -1.11 0.00 0.00 175.55 174.47 3mee s VAL 189 N 0.29 1.12 0.07 0.71 1.01 0.13 0.03 120.40 123.75 3mee s VAL 189 Ca -0.04 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.30 3mee s VAL 189 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3mee s VAL 189 CO 0.03 0.05 -0.26 -0.83 0.00 0.00 0.00 175.10 174.10 3mee s GLY 190 N 1.62 1.47 0.30 4.51 0.00 0.15 0.13 107.32 115.50 3mee s GLY 190 Ca -0.01 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.26 3mee s GLY 190 CO -0.07 -1.23 0.59 -1.35 0.00 0.00 0.00 173.10 171.03 3mee s SER 191 N -1.50 0.08 -0.13 1.64 1.04 -0.43 -1.20 113.70 113.20 3mee s SER 191 Ca 0.13 -1.01 0.15 0.00 0.48 0.00 0.00 55.95 55.70 3mee s SER 191 Cb -0.10 0.68 0.57 0.00 0.10 0.00 0.00 66.02 67.27 3mee s SER 191 CO 0.04 -1.32 1.48 0.47 0.98 0.00 0.00 173.24 174.89 3mee n ASP 192 N -0.79 4.16 -4.72 7.02 8.00 -1.26 -1.78 116.55 127.18 3mee n ASP 192 Ca -0.03 -2.65 -0.35 0.00 0.71 0.00 0.00 54.79 52.47 3mee n ASP 192 Cb 0.61 -0.51 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 3mee n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mee s LEU 193 N -2.19 3.31 0.38 0.64 1.43 -1.26 -4.90 118.68 116.09 3mee s LEU 193 Ca 0.42 2.42 -0.27 0.00 -1.03 0.00 0.00 54.13 55.68 3mee s LEU 193 Cb 0.30 -4.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 3mee s LEU 193 CO 0.15 -2.34 1.29 -1.61 0.23 0.00 0.00 176.35 174.06 3mee s GLU 194 N -3.87 4.10 0.34 1.70 2.02 -1.26 -4.58 118.70 117.16 3mee s GLU 194 Ca 0.76 2.13 0.11 0.00 0.02 0.00 0.00 54.97 57.99 3mee s GLU 194 Cb -0.31 -2.85 0.91 0.00 0.10 0.00 0.00 34.13 31.98 3mee s GLU 194 CO 0.46 -0.37 1.76 0.97 0.02 0.00 0.00 175.26 178.10 3mee h ILE 195 N 2.63 0.59 -0.47 -1.63 6.09 -1.99 0.58 117.51 123.32 3mee h ILE 195 Ca -0.49 -0.20 0.01 0.00 -1.37 0.00 0.00 64.86 62.81 3mee h ILE 195 Cb 1.24 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.46 3mee h ILE 195 CO 0.63 0.11 0.30 1.23 -3.07 0.00 0.00 178.15 177.35 3mee h GLY 196 N 0.58 0.66 2.00 8.18 0.00 -2.00 -1.39 103.07 111.10 3mee h GLY 196 Ca 0.60 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 3mee h GLY 196 CO -0.38 0.21 -0.49 1.46 0.00 0.00 0.00 176.54 177.34 3mee h GLN 197 N 0.60 0.00 -0.08 4.80 4.20 -0.25 -1.97 115.11 122.40 3mee h GLN 197 Ca 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3mee h GLN 197 Cb -0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3mee h GLN 197 CO -0.06 0.49 0.02 1.25 -0.67 0.00 0.00 178.83 179.86 3mee h HIS 198 N 0.00 0.14 -0.45 2.96 2.76 -0.88 -2.17 115.15 117.51 3mee h HIS 198 Ca -0.00 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3mee h HIS 198 Cb 1.13 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.01 3mee h HIS 198 CO 0.00 0.32 0.21 0.00 -1.30 0.00 0.00 177.93 177.16 3mee h ARG 199 N -0.08 0.41 -0.89 5.26 3.08 -1.13 -0.53 114.38 120.50 3mee h ARG 199 Ca 0.03 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.19 3mee h ARG 199 Cb 0.25 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 3mee h ARG 199 CO 0.00 0.27 0.57 1.15 -1.07 0.00 0.00 179.97 180.89 3mee h THR 200 N 0.42 0.85 0.01 2.04 2.02 -1.25 0.69 112.91 117.69 3mee h THR 200 Ca 0.20 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.94 3mee h THR 200 Cb 0.13 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3mee h THR 200 CO -0.16 0.13 -0.89 0.11 0.37 0.00 0.00 175.52 175.09 3mee h LYS 201 N 0.71 0.14 -0.71 6.66 1.79 -0.66 -1.67 116.57 122.83 3mee h LYS 201 Ca 0.44 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.70 3mee h LYS 201 Cb 0.68 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 3mee h LYS 201 CO -0.20 0.93 0.26 0.82 -1.08 0.00 0.00 179.45 180.18 3mee h ILE 202 N 0.08 1.25 -0.56 1.86 1.08 0.63 0.09 117.51 121.94 3mee h ILE 202 Ca -0.04 -0.82 -0.07 0.00 -0.39 0.00 0.00 64.86 63.54 3mee h ILE 202 Cb 1.53 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3mee h ILE 202 CO 0.13 0.32 0.06 -0.08 -0.69 0.00 0.00 178.15 177.89 3mee h GLU 203 N 1.02 0.95 -0.52 2.37 4.57 -0.99 0.65 114.58 122.63 3mee h GLU 203 Ca 0.23 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3mee h GLU 203 Cb 0.24 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3mee h GLU 203 CO -0.02 0.93 0.35 1.49 -1.18 0.00 0.00 179.01 180.58 3mee h GLU 204 N 0.84 0.63 -0.17 1.92 4.81 -0.92 -1.81 114.58 119.88 3mee h GLU 204 Ca 0.17 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 3mee h GLU 204 Cb 0.46 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.70 3mee h GLU 204 CO 0.02 0.42 -0.60 1.25 -0.73 0.00 0.00 179.01 179.36 3mee h LEU 205 N 0.65 0.82 -1.44 1.64 6.46 -0.16 -3.08 115.31 120.20 3mee h LEU 205 Ca 0.20 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 3mee h LEU 205 Cb 0.01 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 3mee h LEU 205 CO -0.05 1.29 0.34 0.03 -0.62 0.00 0.00 178.44 179.42 3mee h ARG 206 N 0.41 0.71 -0.58 1.25 3.08 -0.11 -1.74 114.38 117.40 3mee h ARG 206 Ca -0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3mee h ARG 206 Cb 1.23 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3mee h ARG 206 CO 0.13 0.49 0.19 1.96 -1.07 0.00 0.00 179.97 181.66 3mee h GLN 207 N 0.73 0.86 -0.32 0.04 1.08 -1.28 0.29 115.11 116.52 3mee h GLN 207 Ca 0.19 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 3mee h GLN 207 Cb -0.05 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 3mee h GLN 207 CO -0.04 0.74 0.06 0.45 -0.95 0.00 0.00 178.83 179.09 3mee h HIS 208 N 0.84 0.55 -0.53 2.96 3.86 -1.31 -3.10 115.15 118.42 3mee h HIS 208 Ca 0.19 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3mee h HIS 208 Cb 0.23 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 3mee h HIS 208 CO 0.01 0.59 0.31 -0.07 0.86 0.00 0.00 177.93 179.63 3mee h LEU 209 N 0.35 0.50 -2.01 2.43 -0.00 -0.72 -2.44 115.31 113.43 3mee h LEU 209 Ca 0.10 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 58.10 3mee h LEU 209 Cb 0.33 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 3mee h LEU 209 CO 0.00 0.35 0.29 0.25 -0.00 0.00 0.00 178.44 179.33 3mee h LEU 210 N 0.62 0.00 0.00 1.67 5.85 -0.17 0.19 115.31 123.46 3mee h LEU 210 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3mee h LEU 210 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3mee h LEU 210 CO -0.10 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 178.54 3mee n ARG 211 N -4.40 0.88 0.00 1.25 5.12 -0.92 -3.05 116.66 115.54 3mee n ARG 211 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3mee n ARG 211 Cb 0.47 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 3mee n ARG 211 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3mee n TRP 212 N -0.78 0.00 0.00 -1.55 7.02 0.60 -5.03 117.44 117.69 3mee n TRP 212 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 3mee n TRP 212 Cb 0.05 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 3mee n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mee n GLY 213 N 0.09 1.48 2.98 6.99 0.00 -0.83 -5.01 105.19 110.89 3mee n GLY 213 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3mee n GLY 213 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mee s LEU 214 N 0.00 1.48 0.00 0.99 1.98 -1.03 -4.34 118.68 117.76 3mee s LEU 214 Ca 0.00 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 50.94 3mee s LEU 214 Cb 0.00 -0.84 0.00 0.00 0.66 0.00 0.00 46.19 46.01 3mee s LEU 214 CO 0.00 -0.02 0.00 0.35 -1.89 0.00 0.00 176.35 174.79 3mee n THR 215 N 4.23 0.00 -2.88 3.68 -2.24 -1.26 -2.58 114.28 113.24 3mee n THR 215 Ca -0.19 0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 3mee n THR 215 Cb 0.51 -1.01 0.01 0.00 -2.10 0.00 0.00 70.33 67.74 3mee n THR 215 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3mee s TYR 232 N -0.48 3.24 -0.22 4.78 -0.85 -1.15 -5.00 117.35 117.67 3mee s TYR 232 Ca 0.00 0.32 -0.07 0.00 -0.52 0.00 0.00 57.07 56.80 3mee s TYR 232 Cb 0.00 -2.38 -0.03 0.00 0.38 0.00 0.00 41.96 39.93 3mee s TYR 232 CO 0.00 -0.43 0.06 -1.21 -1.52 0.00 0.00 175.55 172.45 3mee s GLU 233 N -4.63 3.75 0.15 -3.49 2.02 -1.26 -1.43 118.70 113.80 3mee s GLU 233 Ca 0.49 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 55.09 3mee s GLU 233 Cb -0.10 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3mee s GLU 233 CO 0.39 -0.03 0.09 -0.51 0.02 0.00 0.00 175.26 175.22 3mee s LEU 234 N 1.19 3.69 -0.52 1.80 1.02 0.12 -4.96 118.68 121.02 3mee s LEU 234 Ca 0.04 -0.16 0.06 0.00 0.02 0.00 0.00 54.13 54.09 3mee s LEU 234 Cb -0.14 -2.32 0.23 0.00 0.02 0.00 0.00 46.19 43.97 3mee s LEU 234 CO 0.03 0.10 0.59 1.41 0.02 0.00 0.00 176.35 178.49 3mee n HIS 235 N -0.12 1.52 -0.17 0.29 8.25 -1.26 -0.79 115.22 122.95 3mee n HIS 235 Ca -0.09 -3.85 -0.01 0.00 -0.26 0.00 0.00 57.72 53.52 3mee n HIS 235 Cb 0.54 -0.39 0.24 0.00 1.12 0.00 0.00 29.99 31.49 3mee n HIS 235 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3mee h PRO 236 N 4.40 0.90 -1.00 -0.41 0.13 -1.77 0.31 132.00 134.56 3mee h PRO 236 Ca 0.15 -0.10 0.40 0.00 -0.87 0.00 0.00 66.00 65.58 3mee h PRO 236 Cb 0.78 -0.18 -0.17 0.00 0.13 0.00 0.00 31.00 31.56 3mee h PRO 236 CO 0.62 0.67 0.54 0.22 -0.23 0.00 0.00 178.00 179.83 3mee h ASP 237 N 0.90 0.36 -0.78 1.44 -0.00 -1.50 0.04 116.42 116.88 3mee h ASP 237 Ca 0.23 0.25 -0.39 0.00 -0.00 0.00 0.00 57.03 57.11 3mee h ASP 237 Cb 0.05 0.25 -0.24 0.00 -0.00 0.00 0.00 39.33 39.39 3mee h ASP 237 CO -0.04 -0.38 0.50 0.29 -0.00 0.00 0.00 179.24 179.61 3mee n LYS 238 N -5.22 2.12 -3.62 0.28 5.02 0.11 -4.86 118.16 111.98 3mee n LYS 238 Ca 0.37 -2.42 -0.36 0.00 -2.02 0.00 0.00 58.31 53.88 3mee n LYS 238 Cb 1.23 -1.95 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 3mee n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3mee s TRP 239 N -2.63 3.36 0.02 2.13 0.51 -0.00 -5.05 118.94 117.28 3mee s TRP 239 Ca 0.46 0.34 0.04 0.00 -2.12 0.00 0.00 56.10 54.81 3mee s TRP 239 Cb 0.38 -2.29 -0.02 0.00 -0.81 0.00 0.00 33.47 30.74 3mee s TRP 239 CO 0.09 0.12 -0.11 0.95 -0.51 0.00 0.00 176.95 177.49 3mee s THR 240 N 0.88 0.88 0.67 2.01 -4.23 -1.26 -5.09 115.64 109.51 3mee s THR 240 Ca 0.10 -0.79 -0.17 0.00 -1.18 0.00 0.00 61.69 59.66 3mee s THR 240 Cb -0.13 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 72.92 3mee s THR 240 CO 0.03 0.02 1.23 0.68 -0.54 0.00 0.00 174.62 176.05 3mee s VAL 241 N -0.69 2.30 -0.60 2.29 -7.23 -1.26 -4.94 120.40 110.27 3mee s VAL 241 Ca 0.01 0.17 -0.20 0.00 -1.81 0.00 0.00 61.98 60.15 3mee s VAL 241 Cb -0.07 -2.91 0.09 0.00 0.56 0.00 0.00 36.38 34.06 3mee s VAL 241 CO 0.01 -0.06 0.74 -1.58 -0.31 0.00 0.00 175.10 173.90 3mee s GLN 242 N -3.61 3.06 0.84 4.82 -0.44 -1.20 -4.99 119.66 118.15 3mee s GLN 242 Ca 0.78 -1.20 -0.13 0.00 -2.50 0.00 0.00 55.36 52.31 3mee s GLN 242 Cb -0.32 -4.25 0.09 0.00 -1.64 0.00 0.00 33.01 26.89 3mee s GLN 242 CO 0.41 -1.57 1.07 -2.30 0.50 0.00 0.00 175.29 173.41 3mee n PRO 243 N 6.56 -0.02 -1.88 1.67 -0.02 -1.26 -4.70 135.00 135.34 3mee n PRO 243 Ca -0.08 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 3mee n PRO 243 Cb 0.43 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3mee n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mee s ILE 244 N -2.27 3.05 -0.15 4.25 1.09 -1.26 -4.96 121.20 120.96 3mee s ILE 244 Ca 0.70 0.41 -0.18 0.00 -1.10 0.00 0.00 60.65 60.47 3mee s ILE 244 Cb -0.27 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 3mee s ILE 244 CO 0.55 -0.01 0.50 0.68 -0.10 0.00 0.00 174.94 176.56 3mee s VAL 245 N 3.06 5.15 -0.26 2.92 -7.23 -1.26 -4.92 120.40 117.85 3mee s VAL 245 Ca 0.76 0.97 -0.09 0.00 -1.81 0.00 0.00 61.98 61.81 3mee s VAL 245 Cb -0.40 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.67 3mee s VAL 245 CO 0.33 0.26 0.14 -0.76 -0.31 0.00 0.00 175.10 174.76 3mee s LEU 246 N 1.04 3.79 0.55 1.32 1.43 -1.26 -5.00 118.68 120.57 3mee s LEU 246 Ca 0.26 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.07 3mee s LEU 246 Cb -0.15 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3mee s LEU 246 CO 0.10 -0.03 1.33 -0.81 0.23 0.00 0.00 176.35 177.17 3mee n PRO 247 N 4.90 1.61 -3.55 1.29 -0.04 -1.26 -4.94 135.00 133.01 3mee n PRO 247 Ca -0.15 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.56 3mee n PRO 247 Cb 0.52 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 3mee n PRO 247 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3mee n GLU 248 N -1.05 2.78 -2.14 0.54 2.13 -1.26 -5.07 120.64 116.57 3mee n GLU 248 Ca 0.11 -4.52 -0.41 0.00 0.66 0.00 0.00 57.16 52.99 3mee n GLU 248 Cb 0.45 -2.39 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 3mee n GLU 248 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3mee s LYS 249 N -1.72 4.34 0.07 5.31 -0.14 -1.26 -4.94 119.74 121.40 3mee s LYS 249 Ca 0.30 2.15 -0.25 0.00 -1.36 0.00 0.00 55.97 56.81 3mee s LYS 249 Cb -0.02 -3.17 -0.11 0.00 -1.68 0.00 0.00 37.83 32.86 3mee s LYS 249 CO -0.09 -0.33 1.40 0.38 -0.76 0.00 0.00 175.35 175.96 3mee h ASP 250 N 5.33 -1.13 -4.33 2.83 3.04 -2.06 -3.43 116.42 116.67 3mee h ASP 250 Ca -0.45 0.11 -0.62 0.00 -3.24 0.00 0.00 57.03 52.83 3mee h ASP 250 Cb 1.21 0.41 -0.27 0.00 -1.04 0.00 0.00 39.33 39.65 3mee h ASP 250 CO 0.78 -0.41 -0.86 -0.55 -2.04 0.00 0.00 179.24 176.16 3mee s SER 251 N -3.99 2.67 -0.13 4.15 0.15 -1.26 -5.11 113.70 110.17 3mee s SER 251 Ca -0.12 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 3mee s SER 251 Cb 0.04 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 3mee s SER 251 CO 0.43 0.21 -0.04 0.26 1.20 0.00 0.00 173.24 175.31 3mee s TRP 252 N -0.73 3.02 0.49 3.44 0.52 -1.26 -5.04 118.94 119.39 3mee s TRP 252 Ca 0.09 -0.19 0.08 0.00 0.02 0.00 0.00 56.10 56.10 3mee s TRP 252 Cb -0.09 -1.90 0.04 0.00 -1.15 0.00 0.00 33.47 30.38 3mee s TRP 252 CO 0.01 0.08 0.67 0.95 0.02 0.00 0.00 176.95 178.69 3mee s THR 253 N 0.03 2.65 0.10 2.01 -4.23 -1.26 -0.03 115.64 114.90 3mee s THR 253 Ca 0.00 -0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 59.34 3mee s THR 253 Cb -0.13 -2.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.94 3mee s THR 253 CO 0.03 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.39 3mee h VAL 254 N 0.41 1.09 -0.71 2.29 2.07 -1.26 -1.36 116.25 118.79 3mee h VAL 254 Ca -0.36 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.03 3mee h VAL 254 Cb 1.28 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 3mee h VAL 254 CO 0.44 0.09 0.29 -1.13 0.02 0.00 0.00 177.57 177.27 3mee h ASN 255 N 0.16 0.30 -0.49 0.57 -1.24 -1.53 0.64 115.58 113.99 3mee h ASN 255 Ca 0.06 0.09 -0.08 0.00 0.71 0.00 0.00 56.30 57.08 3mee h ASN 255 Cb 0.06 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 3mee h ASN 255 CO -0.01 0.15 0.02 0.44 -1.29 0.00 0.00 177.43 176.73 3mee h ASP 256 N 0.47 0.88 0.59 1.15 3.32 -1.75 -1.89 116.42 119.19 3mee h ASP 256 Ca 0.37 -0.22 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 3mee h ASP 256 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3mee h ASP 256 CO -0.35 0.93 -0.80 0.40 -1.72 0.00 0.00 179.24 177.70 3mee h ILE 257 N 0.85 1.49 -0.28 0.35 2.04 -0.07 -1.02 117.51 120.87 3mee h ILE 257 Ca 0.16 -2.52 -0.10 0.00 1.00 0.00 0.00 64.86 63.40 3mee h ILE 257 Cb 0.48 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 3mee h ILE 257 CO 0.02 0.73 -0.23 1.56 0.00 0.00 0.00 178.15 180.24 3mee h GLN 258 N 0.09 0.64 -0.37 2.37 4.20 -0.71 -0.75 115.11 120.58 3mee h GLN 258 Ca -0.03 -0.32 0.05 0.00 0.06 0.00 0.00 58.65 58.41 3mee h GLN 258 Cb 1.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 3mee h GLN 258 CO 0.12 0.92 0.12 0.87 -0.67 0.00 0.00 178.83 180.18 3mee h LYS 259 N 0.37 0.25 -0.21 1.46 1.57 -1.27 -1.38 116.57 117.36 3mee h LYS 259 Ca 0.05 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3mee h LYS 259 Cb 0.78 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 3mee h LYS 259 CO 0.06 0.17 -0.12 1.25 -0.57 0.00 0.00 179.45 180.24 3mee h LEU 260 N 0.26 -0.39 -1.11 2.94 6.46 -0.91 -0.81 115.31 121.75 3mee h LEU 260 Ca 0.17 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 3mee h LEU 260 Cb 0.16 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 3mee h LEU 260 CO -0.19 -0.15 0.60 0.58 -0.62 0.00 0.00 178.44 178.66 3mee h VAL 261 N -0.10 1.22 0.17 1.05 2.07 -0.86 -0.92 116.25 118.88 3mee h VAL 261 Ca 0.12 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3mee h VAL 261 Cb 0.28 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3mee h VAL 261 CO -0.28 0.22 -0.08 1.23 0.02 0.00 0.00 177.57 178.68 3mee h GLY 262 N 1.21 -0.24 0.39 2.17 0.00 -0.30 0.70 103.07 107.00 3mee h GLY 262 Ca 0.34 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.85 3mee h GLY 262 CO -0.08 -0.09 0.23 1.70 0.00 0.00 0.00 176.54 178.31 3mee h LYS 263 N -0.39 0.41 -0.31 4.80 3.64 -0.94 0.64 116.57 124.41 3mee h LYS 263 Ca -0.02 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 3mee h LYS 263 Cb 0.31 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3mee h LYS 263 CO 0.04 0.27 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.93 3mee h LEU 264 N 0.42 0.94 -0.59 5.20 3.38 -1.00 -1.50 115.31 122.16 3mee h LEU 264 Ca 0.31 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3mee h LEU 264 Cb 0.38 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3mee h LEU 264 CO -0.31 1.26 0.23 -1.13 0.09 0.00 0.00 178.44 178.59 3mee h ASN 265 N 0.68 0.25 -0.15 -0.43 -1.24 0.13 0.16 115.58 114.96 3mee h ASN 265 Ca 0.03 0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 3mee h ASN 265 Cb 1.08 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.17 3mee h ASN 265 CO 0.11 0.15 -0.28 -0.25 -1.29 0.00 0.00 177.43 175.88 3mee h TRP 266 N 0.42 0.57 -0.12 0.67 7.01 -0.77 -2.56 115.95 121.17 3mee h TRP 266 Ca 0.29 -0.20 0.04 0.00 2.11 0.00 0.00 58.89 61.13 3mee h TRP 266 Cb 0.34 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 3mee h TRP 266 CO -0.16 0.90 0.11 0.00 -2.79 0.00 0.00 178.44 176.51 3mee h ALA 267 N 0.56 1.84 -0.08 2.65 0.00 -0.94 -2.07 119.26 121.23 3mee h ALA 267 Ca 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3mee h ALA 267 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3mee h ALA 267 CO 0.06 -0.18 0.17 1.03 0.00 0.00 0.00 179.25 180.33 3mee h SER 268 N 0.00 0.00 0.17 0.00 0.87 -0.25 0.94 113.55 115.28 3mee h SER 268 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3mee h SER 268 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3mee h SER 268 CO -0.00 0.00 -0.62 0.00 -0.53 0.00 0.00 176.83 175.68 3mee n GLN 269 N -3.35 0.41 -0.12 2.24 6.02 -0.78 -4.27 117.38 117.52 3mee n GLN 269 Ca -0.01 -0.30 -0.25 0.00 -0.01 0.00 0.00 57.00 56.44 3mee n GLN 269 Cb 0.26 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.94 3mee n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3mee n ILE 270 N -1.04 1.48 -3.51 5.09 5.41 0.11 -4.94 119.36 121.97 3mee n ILE 270 Ca 0.07 -0.26 -0.40 0.00 1.00 0.00 0.00 62.75 63.16 3mee n ILE 270 Cb 0.36 -1.97 -0.10 0.00 -0.71 0.00 0.00 39.64 37.22 3mee n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3mee s TYR 271 N -2.58 3.22 0.20 1.39 2.02 0.01 -4.80 117.35 116.82 3mee s TYR 271 Ca -0.36 -0.05 -0.32 0.00 -0.37 0.00 0.00 57.07 55.96 3mee s TYR 271 Cb 0.12 -2.50 -0.13 0.00 -0.40 0.00 0.00 41.96 39.05 3mee s TYR 271 CO 0.46 -0.32 1.68 -2.30 -1.57 0.00 0.00 175.55 173.51 3mee n PRO 272 N 5.17 2.62 0.00 -1.71 -0.02 -1.26 -3.22 135.00 136.58 3mee n PRO 272 Ca -0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3mee n PRO 272 Cb 0.50 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3mee n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mee n GLY 273 N 3.80 0.31 3.72 -1.23 0.00 -1.26 -5.04 105.19 105.49 3mee n GLY 273 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3mee n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mee n ILE 274 N -1.73 0.48 -4.32 -0.61 2.08 -1.20 -4.97 119.36 109.09 3mee n ILE 274 Ca 0.00 -0.12 -0.25 0.00 0.56 0.00 0.00 62.75 62.95 3mee n ILE 274 Cb 0.00 -1.89 -0.12 0.00 -0.75 0.00 0.00 39.64 36.88 3mee n ILE 274 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3mee s LYS 275 N 0.36 1.23 0.00 0.38 2.47 -1.26 -4.96 119.74 117.96 3mee s LYS 275 Ca 0.71 -1.27 0.00 0.00 -1.56 0.00 0.00 55.97 53.85 3mee s LYS 275 Cb -0.53 -1.49 0.00 0.00 -1.46 0.00 0.00 37.83 34.34 3mee s LYS 275 CO 0.41 0.34 0.00 0.28 0.16 0.00 0.00 175.35 176.53 3mee n VAL 276 N 0.85 0.00 0.04 4.02 0.31 -1.26 -4.92 118.33 117.37 3mee n VAL 276 Ca -0.18 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.18 3mee n VAL 276 Cb 0.54 0.38 0.45 0.00 -0.91 0.00 0.00 33.84 34.30 3mee n VAL 276 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3mee h ARG 277 N 0.00 0.45 -0.22 5.55 0.11 -2.00 -1.36 114.38 116.92 3mee h ARG 277 Ca 0.00 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 3mee h ARG 277 Cb 0.00 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 30.98 3mee h ARG 277 CO 0.00 0.31 -0.08 1.96 0.10 0.00 0.00 179.97 182.26 3mee h GLN 278 N 0.46 0.44 -0.28 0.08 1.08 -1.91 -2.90 115.11 112.07 3mee h GLN 278 Ca 0.12 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3mee h GLN 278 Cb -0.02 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 3mee h GLN 278 CO -0.02 0.70 0.13 -0.07 -0.95 0.00 0.00 178.83 178.63 3mee h LEU 279 N 0.15 0.37 -1.33 1.46 3.38 -1.63 -2.46 115.31 115.26 3mee h LEU 279 Ca 0.05 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.06 3mee h LEU 279 Cb 0.56 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3mee h LEU 279 CO 0.03 0.39 0.58 0.00 0.09 0.00 0.00 178.44 179.53 3mee h LYS 281 N 0.61 0.00 -0.03 0.00 1.57 -1.22 0.12 116.57 117.61 3mee h LYS 281 Ca 0.47 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.11 3mee h LYS 281 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3mee h LYS 281 CO -0.22 0.00 -0.62 -0.07 -0.57 0.00 0.00 179.45 177.98 3mee h LEU 282 N 0.00 0.11 -8.01 2.94 3.38 -0.27 -3.34 115.31 110.12 3mee h LEU 282 Ca 0.07 -0.07 -0.64 0.00 0.09 0.00 0.00 57.88 57.34 3mee h LEU 282 Cb 0.38 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 3mee h LEU 282 CO -0.00 0.70 1.67 -0.76 0.09 0.00 0.00 178.44 180.14 3mee s LEU 283 N -7.73 3.76 -0.17 1.67 2.01 0.40 -4.96 118.68 113.67 3mee s LEU 283 Ca -0.02 -1.86 0.00 0.00 0.01 0.00 0.00 54.13 52.26 3mee s LEU 283 Cb 0.12 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.77 3mee s LEU 283 CO 0.78 -1.35 -0.16 -0.60 1.01 0.00 0.00 176.35 176.03 3mee s ARG 284 N 4.48 3.14 2.29 1.70 6.06 -1.26 -4.97 118.95 130.39 3mee s ARG 284 Ca 0.48 -0.77 0.00 0.00 -2.50 0.00 0.00 55.73 52.94 3mee s ARG 284 Cb 0.01 -2.64 0.00 0.00 0.06 0.00 0.00 34.95 32.38 3mee s ARG 284 CO -0.04 -0.09 0.00 0.41 -2.50 0.00 0.00 175.30 173.08 3mee n GLY 285 N 4.34 -0.88 3.10 8.12 0.00 -1.26 -4.58 105.19 114.03 3mee n GLY 285 Ca -0.20 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3mee n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mee s THR 286 N 0.00 3.84 0.27 2.61 -4.23 -1.26 -5.08 115.64 111.78 3mee s THR 286 Ca 0.00 -3.04 -0.01 0.00 -1.18 0.00 0.00 61.69 57.46 3mee s THR 286 Cb 0.00 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3mee s THR 286 CO 0.00 -0.90 0.47 -0.54 -0.54 0.00 0.00 174.62 173.10 3mee s LYS 287 N -0.19 3.52 0.43 3.99 1.02 -1.26 -5.05 119.74 122.20 3mee s LYS 287 Ca 0.18 -0.31 -0.25 0.00 0.02 0.00 0.00 55.97 55.61 3mee s LYS 287 Cb -0.19 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.27 3mee s LYS 287 CO -0.04 0.29 1.18 0.00 -0.92 0.00 0.00 175.35 175.86 3mee n ALA 288 N -1.12 0.91 0.18 5.17 0.00 -1.26 -4.89 120.51 119.50 3mee n ALA 288 Ca -0.05 0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.68 3mee n ALA 288 Cb 0.55 -2.21 0.46 0.00 0.00 0.00 0.00 19.45 18.25 3mee n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mee h LEU 289 N 1.84 0.09 -1.70 0.00 3.38 -1.97 -2.83 115.31 114.12 3mee h LEU 289 Ca -0.47 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3mee h LEU 289 Cb 1.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3mee h LEU 289 CO 0.59 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.73 3mee n THR 290 N -4.30 0.48 -2.31 0.22 -2.24 -1.26 -1.40 114.28 103.47 3mee n THR 290 Ca -0.02 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 3mee n THR 290 Cb 0.25 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3mee n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mee s GLU 291 N -1.52 4.36 0.31 -0.78 2.12 -1.07 -4.83 118.70 117.29 3mee s GLU 291 Ca 0.34 1.89 -0.28 0.00 0.36 0.00 0.00 54.97 57.28 3mee s GLU 291 Cb 0.18 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 31.10 3mee s GLU 291 CO 0.26 -0.39 1.07 0.08 -0.54 0.00 0.00 175.26 175.73 3mee s VAL 292 N 1.46 3.61 -0.05 3.70 1.01 -1.26 -1.76 120.40 127.12 3mee s VAL 292 Ca 0.61 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.11 3mee s VAL 292 Cb -0.32 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.16 3mee s VAL 292 CO 0.28 0.28 -0.02 -0.63 0.00 0.00 0.00 175.10 175.01 3mee s ILE 293 N -1.29 0.44 0.24 2.22 1.01 0.96 -4.94 121.20 119.84 3mee s ILE 293 Ca 0.47 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 3mee s ILE 293 Cb -0.29 -0.52 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 3mee s ILE 293 CO 0.37 0.23 1.39 -2.16 0.00 0.00 0.00 174.94 174.76 3mee s PRO 294 N 1.29 4.31 -0.20 2.79 0.04 -1.26 -4.38 135.00 137.60 3mee s PRO 294 Ca -0.05 2.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 3mee s PRO 294 Cb -0.13 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3mee s PRO 294 CO -0.02 -0.34 0.88 -0.48 0.04 0.00 0.00 177.00 177.08 3mee s LEU 295 N -0.43 4.13 0.72 -3.56 -0.00 -1.26 -5.04 118.68 113.25 3mee s LEU 295 Ca 0.57 1.19 -0.11 0.00 -0.00 0.00 0.00 54.13 55.78 3mee s LEU 295 Cb -0.40 -3.30 0.03 0.00 -0.00 0.00 0.00 46.19 42.52 3mee s LEU 295 CO 0.43 -0.49 1.10 0.42 -0.00 0.00 0.00 176.35 177.81 3mee s THR 296 N 2.57 3.32 0.21 5.48 -4.23 -1.26 -4.79 115.64 116.95 3mee s THR 296 Ca 0.39 0.43 -0.10 0.00 -1.18 0.00 0.00 61.69 61.23 3mee s THR 296 Cb -0.16 -3.40 0.18 0.00 1.34 0.00 0.00 72.50 70.46 3mee s THR 296 CO 0.10 -0.56 1.69 -0.33 -0.54 0.00 0.00 174.62 174.98 3mee h GLU 297 N -0.73 0.21 0.00 3.99 5.08 -2.00 -1.12 114.58 120.01 3mee h GLU 297 Ca -0.45 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 3mee h GLU 297 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3mee h GLU 297 CO 0.63 0.14 -0.41 0.93 -1.00 0.00 0.00 179.01 179.30 3mee h GLU 298 N 0.22 0.00 0.00 2.33 4.39 -1.98 -3.19 114.58 116.35 3mee h GLU 298 Ca 0.32 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3mee h GLU 298 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3mee h GLU 298 CO -0.45 0.41 -0.06 0.00 -1.16 0.00 0.00 179.01 177.76 3mee h ALA 299 N 1.59 0.00 0.00 3.43 0.00 -1.58 -2.91 119.26 119.79 3mee h ALA 299 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3mee h ALA 299 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3mee h ALA 299 CO 0.05 -0.05 0.18 0.93 0.00 0.00 0.00 179.25 180.36 3mee h GLU 300 N -0.76 0.00 0.09 0.00 5.08 -1.32 -1.95 114.58 115.73 3mee h GLU 300 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 3mee h GLU 300 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3mee h GLU 300 CO 0.01 0.00 -0.94 1.25 -1.00 0.00 0.00 179.01 178.33 3mee h LEU 301 N 0.00 0.29 0.19 1.33 5.85 -1.52 -3.22 115.31 118.24 3mee h LEU 301 Ca 0.00 -0.87 0.01 0.00 0.84 0.00 0.00 57.88 57.86 3mee h LEU 301 Cb 0.36 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3mee h LEU 301 CO 0.00 1.42 -0.29 -0.33 -0.34 0.00 0.00 178.44 178.89 3mee h GLU 302 N -0.55 -0.53 -0.66 1.25 5.08 -1.18 -1.28 114.58 116.70 3mee h GLU 302 Ca -0.20 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3mee h GLU 302 Cb 1.52 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.79 3mee h GLU 302 CO 0.04 -0.36 -0.27 1.28 -1.00 0.00 0.00 179.01 178.70 3mee n LEU 303 N -5.40 -0.46 -0.05 1.33 7.99 -0.87 0.16 117.00 119.70 3mee n LEU 303 Ca -0.08 1.16 -0.13 0.00 -0.01 0.00 0.00 56.01 56.96 3mee n LEU 303 Cb 0.31 -0.25 -0.08 0.00 -0.11 0.00 0.00 43.42 43.29 3mee n LEU 303 CO 0.26 -1.03 0.61 0.00 -1.51 0.00 0.00 177.39 175.71 3mee h ALA 304 N 0.85 0.17 -0.73 -1.18 0.00 -1.49 -1.93 119.26 114.95 3mee h ALA 304 Ca 0.22 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3mee h ALA 304 Cb 0.38 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3mee h ALA 304 CO -0.66 0.03 0.42 0.93 0.00 0.00 0.00 179.25 179.97 3mee h GLU 305 N -0.10 0.74 -0.12 0.00 3.07 0.38 -2.03 114.58 116.50 3mee h GLU 305 Ca 0.02 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 3mee h GLU 305 Cb 0.65 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3mee h GLU 305 CO 0.03 0.49 -0.47 -0.91 -1.40 0.00 0.00 179.01 176.74 3mee h ASN 306 N 0.76 0.34 -0.07 1.42 -0.26 -0.24 -2.73 115.58 114.79 3mee h ASN 306 Ca 0.33 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3mee h ASN 306 Cb 0.20 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3mee h ASN 306 CO -0.19 0.76 0.04 0.03 -1.06 0.00 0.00 177.43 177.01 3mee h ARG 307 N 0.25 0.10 -0.52 0.81 3.08 -0.70 0.72 114.38 118.12 3mee h ARG 307 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mee h ARG 307 Cb 0.93 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3mee h ARG 307 CO 0.08 0.16 0.33 0.93 -1.07 0.00 0.00 179.97 180.40 3mee h GLU 308 N 0.01 0.70 -0.26 0.04 5.08 -1.33 -0.02 114.58 118.80 3mee h GLU 308 Ca 0.02 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3mee h GLU 308 Cb 0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3mee h GLU 308 CO -0.00 0.47 -0.30 0.82 -1.00 0.00 0.00 179.01 179.00 3mee h ILE 309 N 0.71 1.31 0.00 3.13 1.08 -1.23 -2.98 117.51 119.54 3mee h ILE 309 Ca 0.19 -1.48 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 3mee h ILE 309 Cb -0.06 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 3mee h ILE 309 CO -0.04 0.47 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.69 3mee h LEU 310 N 0.38 0.00 -1.13 1.44 4.07 0.24 -2.04 115.31 118.26 3mee h LEU 310 Ca 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 3mee h LEU 310 Cb 0.87 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 3mee h LEU 310 CO 0.07 0.13 -0.38 0.50 -1.08 0.00 0.00 178.44 177.68 3mee h LYS 311 N 0.00 0.09 -6.62 1.13 3.64 -0.88 -3.42 116.57 110.52 3mee h LYS 311 Ca -0.00 -0.04 -0.44 0.00 -1.27 0.00 0.00 60.65 58.90 3mee h LYS 311 Cb 0.40 -0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3mee h LYS 311 CO 0.02 0.46 -0.15 -1.21 -2.27 0.00 0.00 179.45 176.30 3mee s GLU 312 N -4.17 2.92 0.73 1.90 0.41 -0.77 -4.94 118.70 114.77 3mee s GLU 312 Ca -0.03 -0.77 -0.14 0.00 -0.41 0.00 0.00 54.97 53.62 3mee s GLU 312 Cb 0.14 -2.62 0.04 0.00 -1.78 0.00 0.00 34.13 29.91 3mee s GLU 312 CO 0.74 -0.30 1.15 -1.25 -0.49 0.00 0.00 175.26 175.11 3mee s PRO 313 N -4.50 2.25 -0.08 0.39 0.04 -1.26 -4.91 135.00 126.93 3mee s PRO 313 Ca 0.51 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 3mee s PRO 313 Cb -0.10 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3mee s PRO 313 CO 0.36 -1.70 1.72 0.08 0.04 0.00 0.00 177.00 177.49 3mee s VAL 314 N -2.29 3.50 -0.13 -0.36 1.01 -1.26 -4.92 120.40 115.94 3mee s VAL 314 Ca 0.69 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 3mee s VAL 314 Cb -0.24 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3mee s VAL 314 CO 0.47 -0.09 1.59 -2.28 0.00 0.00 0.00 175.10 174.79 3mee s HIS 315 N 4.52 2.13 0.00 5.22 2.46 -1.26 -3.25 115.29 125.10 3mee s HIS 315 Ca 0.76 0.43 0.00 0.00 0.47 0.00 0.00 55.06 56.73 3mee s HIS 315 Cb -0.33 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 3mee s HIS 315 CO 0.31 -3.24 0.00 0.41 -2.47 0.00 0.00 174.74 169.75 3mee n GLY 316 N 4.27 0.78 3.66 1.59 0.00 -1.26 -4.75 105.19 109.48 3mee n GLY 316 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3mee n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mee s VAL 317 N -2.00 4.81 0.02 1.61 1.01 -1.20 -5.10 120.40 119.55 3mee s VAL 317 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3mee s VAL 317 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3mee s VAL 317 CO 0.00 0.49 -0.03 -0.31 0.00 0.00 0.00 175.10 175.25 3mee s TYR 318 N 0.11 0.30 0.04 5.22 1.51 -1.26 -4.97 117.35 118.30 3mee s TYR 318 Ca 0.05 -0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 3mee s TYR 318 Cb -0.12 -0.21 -0.06 0.00 -0.11 0.00 0.00 41.96 41.46 3mee s TYR 318 CO 0.01 -0.17 1.32 -0.47 -1.11 0.00 0.00 175.55 175.12 3mee s TYR 319 N -1.40 3.16 -0.31 2.71 5.04 -1.26 -5.01 117.35 120.29 3mee s TYR 319 Ca -0.15 1.03 -0.05 0.00 -2.44 0.00 0.00 57.07 55.47 3mee s TYR 319 Cb -0.10 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.67 3mee s TYR 319 CO -0.01 -1.98 0.05 0.34 -1.34 0.00 0.00 175.55 172.61 3mee s ASP 320 N 1.39 5.05 0.63 4.32 -1.08 -1.26 -5.00 116.67 120.72 3mee s ASP 320 Ca 0.62 -1.02 0.32 0.00 -0.52 0.00 0.00 52.55 51.94 3mee s ASP 320 Cb -0.32 -1.81 1.72 0.00 -1.46 0.00 0.00 42.92 41.06 3mee s ASP 320 CO 0.28 -0.25 2.03 -0.65 0.52 0.00 0.00 175.17 177.09 3mee h PRO 321 N 8.15 0.00 -0.00 4.34 0.11 -2.01 -1.22 132.00 141.37 3mee h PRO 321 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3mee h PRO 321 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mee h PRO 321 CO 0.58 0.00 -0.57 -1.13 -0.21 0.00 0.00 178.00 176.68 3mee n SER 322 N -3.29 0.81 -4.74 -2.05 3.41 -1.26 -4.91 113.62 101.58 3mee n SER 322 Ca 0.01 -0.62 -0.31 0.00 -0.26 0.00 0.00 58.87 57.69 3mee n SER 322 Cb 0.37 0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 3mee n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3mee s LYS 323 N -2.88 2.84 0.49 4.33 1.02 -0.46 -5.09 119.74 119.99 3mee s LYS 323 Ca 0.13 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 3mee s LYS 323 Cb 0.18 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 3mee s LYS 323 CO 0.70 0.59 1.27 -0.51 -0.92 0.00 0.00 175.35 176.48 3mee s ASP 324 N -2.07 5.77 0.11 2.83 1.01 -1.26 -4.90 116.67 118.16 3mee s ASP 324 Ca 0.25 2.56 -0.22 0.00 0.71 0.00 0.00 52.55 55.85 3mee s ASP 324 Cb -0.12 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 3mee s ASP 324 CO 0.17 -1.21 0.67 -0.76 0.21 0.00 0.00 175.17 174.25 3mee s LEU 325 N -3.19 4.55 0.03 1.23 1.43 -1.26 -4.53 118.68 116.94 3mee s LEU 325 Ca 0.66 1.43 0.09 0.00 -1.03 0.00 0.00 54.13 55.29 3mee s LEU 325 Cb -0.35 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 3mee s LEU 325 CO 0.42 0.23 -0.26 -0.63 0.23 0.00 0.00 176.35 176.34 3mee s ILE 326 N -1.03 2.08 -0.06 -0.59 1.01 0.65 -0.13 121.20 123.13 3mee s ILE 326 Ca 0.32 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3mee s ILE 326 Cb -0.21 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.51 3mee s ILE 326 CO 0.22 0.39 -0.04 0.00 0.00 0.00 0.00 174.94 175.51 3mee s ALA 327 N -0.76 0.79 -0.08 9.38 0.00 -0.31 -0.68 121.76 130.10 3mee s ALA 327 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3mee s ALA 327 Cb -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3mee s ALA 327 CO 0.01 -0.15 -0.05 -1.21 0.00 0.00 0.00 175.76 174.36 3mee s GLU 328 N 1.23 2.84 -0.06 0.00 2.02 -0.56 -0.22 118.70 123.94 3mee s GLU 328 Ca -0.06 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.46 3mee s GLU 328 Cb -0.14 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 3mee s GLU 328 CO -0.02 0.65 -0.19 0.42 0.02 0.00 0.00 175.26 176.14 3mee s ILE 329 N -0.77 1.64 -0.07 -1.63 1.01 -1.18 -1.70 121.20 118.51 3mee s ILE 329 Ca 0.12 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.98 3mee s ILE 329 Cb -0.11 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3mee s ILE 329 CO 0.02 0.47 -0.11 -1.10 0.00 0.00 0.00 174.94 174.22 3mee s GLN 330 N 0.21 2.71 -0.17 2.79 1.11 0.40 -4.26 119.66 122.45 3mee s GLN 330 Ca -0.10 -0.62 -0.29 0.00 0.01 0.00 0.00 55.36 54.35 3mee s GLN 330 Cb -0.14 -2.51 -0.00 0.00 -1.01 0.00 0.00 33.01 29.35 3mee s GLN 330 CO 0.05 0.60 1.05 0.21 0.01 0.00 0.00 175.29 177.20 3mee s LYS 331 N -0.65 4.33 0.00 2.91 2.20 -1.26 -1.94 119.74 125.33 3mee s LYS 331 Ca 0.10 1.40 0.22 0.00 -0.36 0.00 0.00 55.97 57.33 3mee s LYS 331 Cb -0.11 -3.60 0.09 0.00 -1.51 0.00 0.00 37.83 32.69 3mee s LYS 331 CO 0.01 -0.50 1.14 1.04 -0.36 0.00 0.00 175.35 176.69 3mee n GLN 332 N 5.75 1.75 0.00 4.03 1.13 -0.36 -4.98 117.38 124.70 3mee n GLN 332 Ca 0.11 -1.43 0.00 0.00 -1.94 0.00 0.00 57.00 53.74 3mee n GLN 332 Cb 0.47 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.38 3mee n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mee n GLY 333 N 1.34 -2.38 2.53 1.08 0.00 -1.24 -4.81 105.19 101.70 3mee n GLY 333 Ca 0.11 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 3mee n GLY 333 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mee n GLN 334 N -2.16 -1.35 -0.75 1.61 7.27 -1.26 -2.04 117.38 118.71 3mee n GLN 334 Ca 0.00 1.14 0.00 0.00 0.07 0.00 0.00 57.00 58.21 3mee n GLN 334 Cb 0.00 -5.48 0.00 0.00 2.41 0.00 0.00 30.24 27.17 3mee n GLN 334 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mee n GLY 335 N -0.69 0.62 3.79 1.69 0.00 -1.26 -4.85 105.19 104.49 3mee n GLY 335 Ca -0.19 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 3mee n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mee s GLN 336 N -0.28 3.08 -0.03 1.61 -1.52 -0.86 -1.88 119.66 119.78 3mee s GLN 336 Ca 0.00 -0.48 -0.01 0.00 -1.95 0.00 0.00 55.36 52.92 3mee s GLN 336 Cb 0.00 -2.87 0.03 0.00 -0.22 0.00 0.00 33.01 29.95 3mee s GLN 336 CO 0.00 0.65 0.06 -1.58 -0.25 0.00 0.00 175.29 174.17 3mee s TRP 337 N -1.20 -0.03 0.15 0.91 0.52 -0.78 -1.22 118.94 117.29 3mee s TRP 337 Ca 0.23 0.22 0.06 0.00 0.02 0.00 0.00 56.10 56.63 3mee s TRP 337 Cb -0.12 -0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.99 3mee s TRP 337 CO 0.14 -0.10 0.06 0.95 0.02 0.00 0.00 176.95 178.02 3mee s THR 338 N 0.97 4.11 0.08 2.01 -4.23 -0.82 -1.40 115.64 116.37 3mee s THR 338 Ca -0.08 -1.18 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 3mee s THR 338 Cb -0.11 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.71 3mee s THR 338 CO -0.03 -0.06 0.42 -0.72 -0.54 0.00 0.00 174.62 173.68 3mee s TYR 339 N -1.65 -0.26 0.03 3.99 -0.85 -0.72 -0.45 117.35 117.44 3mee s TYR 339 Ca 0.29 0.11 0.04 0.00 -0.52 0.00 0.00 57.07 56.98 3mee s TYR 339 Cb -0.10 0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.47 3mee s TYR 339 CO 0.21 -0.63 -0.11 1.14 -1.52 0.00 0.00 175.55 174.64 3mee s GLN 340 N -3.03 0.74 -0.14 -3.49 0.00 -0.69 -1.66 119.66 111.40 3mee s GLN 340 Ca -0.02 -0.64 0.01 0.00 -0.00 0.00 0.00 55.36 54.71 3mee s GLN 340 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 33.01 32.33 3mee s GLN 340 CO -0.06 0.16 -0.16 0.42 0.00 0.00 0.00 175.29 175.66 3mee s ILE 341 N -0.82 2.74 0.20 3.63 1.01 0.11 -1.50 121.20 126.56 3mee s ILE 341 Ca -0.01 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 3mee s ILE 341 Cb -0.07 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3mee s ILE 341 CO 0.01 0.52 0.48 -0.72 0.00 0.00 0.00 174.94 175.23 3mee s TYR 342 N 0.55 0.04 -0.14 3.97 1.13 0.15 -0.16 117.35 122.89 3mee s TYR 342 Ca -0.10 -0.39 0.02 0.00 -1.41 0.00 0.00 57.07 55.18 3mee s TYR 342 Cb -0.16 0.29 -0.10 0.00 -1.10 0.00 0.00 41.96 40.89 3mee s TYR 342 CO 0.04 -0.90 -0.12 1.04 -2.51 0.00 0.00 175.55 173.10 3mee n GLN 343 N -0.32 0.47 -4.80 -3.49 6.02 -1.26 -0.25 117.38 113.74 3mee n GLN 343 Ca -0.08 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 3mee n GLN 343 Cb 0.62 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 30.46 3mee n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3mee s GLU 344 N -2.29 2.68 0.19 -1.09 0.41 -1.26 -4.88 118.70 112.45 3mee s GLU 344 Ca -0.19 -0.65 -0.33 0.00 -0.41 0.00 0.00 54.97 53.39 3mee s GLU 344 Cb 0.05 -2.47 -0.15 0.00 -1.78 0.00 0.00 34.13 29.78 3mee s GLU 344 CO 0.35 0.58 1.25 -2.30 -0.49 0.00 0.00 175.26 174.65 3mee n PRO 345 N 2.44 1.42 -0.18 0.39 -0.02 -1.26 -1.43 135.00 136.36 3mee n PRO 345 Ca -0.17 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3mee n PRO 345 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3mee n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mee n PHE 346 N 1.70 0.00 -3.18 6.00 3.72 -1.26 -4.93 117.46 119.51 3mee n PHE 346 Ca 0.14 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.10 3mee n PHE 346 Cb 0.26 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3mee n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3mee n LYS 347 N -2.00 3.53 -2.43 -1.08 5.02 -0.52 -4.59 118.16 116.09 3mee n LYS 347 Ca 0.00 -4.24 -0.43 0.00 -2.02 0.00 0.00 58.31 51.62 3mee n LYS 347 Cb 0.00 -2.72 -0.02 0.00 -0.02 0.00 0.00 35.03 32.27 3mee n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3mee s ASN 348 N 1.68 6.99 0.12 4.39 0.02 -1.26 -4.23 114.94 122.65 3mee s ASN 348 Ca 0.35 1.77 -0.03 0.00 -1.02 0.00 0.00 52.86 53.93 3mee s ASN 348 Cb -0.07 -2.55 -0.14 0.00 0.02 0.00 0.00 41.25 38.51 3mee s ASN 348 CO -0.04 -0.67 1.26 -0.07 0.02 0.00 0.00 177.10 177.60 3mee h LEU 349 N 8.90 0.44 -7.10 0.60 3.38 -0.94 -3.44 115.31 117.16 3mee h LEU 349 Ca -0.31 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 3mee h LEU 349 Cb 1.14 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 3mee h LEU 349 CO 0.92 1.23 -0.01 -0.75 0.09 0.00 0.00 178.44 179.92 3mee s LYS 350 N -3.05 0.70 0.19 1.13 2.20 -1.12 -5.00 119.74 114.80 3mee s LYS 350 Ca -0.05 0.88 0.08 0.00 -0.36 0.00 0.00 55.97 56.53 3mee s LYS 350 Cb 0.08 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 3mee s LYS 350 CO 0.87 -0.09 -0.16 0.95 -0.36 0.00 0.00 175.35 176.55 3mee s THR 351 N 0.49 1.77 0.19 3.43 -4.23 -1.26 0.07 115.64 116.09 3mee s THR 351 Ca -0.01 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.17 3mee s THR 351 Cb -0.05 -1.96 0.08 0.00 1.34 0.00 0.00 72.50 71.91 3mee s THR 351 CO -0.02 -0.49 1.03 -0.83 -0.54 0.00 0.00 174.62 173.77 3mee s GLY 352 N -3.07 0.09 0.29 3.99 0.00 -0.66 -3.22 107.32 104.74 3mee s GLY 352 Ca 0.20 -0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.64 3mee s GLY 352 CO 0.07 2.17 0.14 -1.59 0.00 0.00 0.00 173.10 173.88 3mee s LYS 353 N -2.26 1.55 -0.20 2.90 -2.85 -1.26 -1.75 119.74 115.87 3mee s LYS 353 Ca 0.21 -1.87 -0.17 0.00 -1.00 0.00 0.00 55.97 53.13 3mee s LYS 353 Cb -0.03 -0.16 0.05 0.00 -2.06 0.00 0.00 37.83 35.64 3mee s LYS 353 CO 0.05 -0.41 0.52 -0.47 0.10 0.00 0.00 175.35 175.15 3mee s TYR 354 N -3.64 -0.62 0.10 1.78 6.14 -0.49 -4.99 117.35 115.63 3mee s TYR 354 Ca 0.36 1.45 0.04 0.00 0.64 0.00 0.00 57.07 59.56 3mee s TYR 354 Cb 0.06 0.24 -0.04 0.00 0.42 0.00 0.00 41.96 42.64 3mee s TYR 354 CO 0.16 -0.30 -0.11 0.00 0.64 0.00 0.00 175.55 175.94 3mee s ALA 355 N 0.51 1.20 0.00 3.97 0.00 -1.26 -1.87 121.76 124.31 3mee s ALA 355 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3mee s ALA 355 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3mee s ALA 355 CO -0.02 -0.01 0.00 -2.13 0.00 0.00 0.00 175.76 173.60 3mee n ARG 356 N 0.54 0.00 0.00 0.00 0.63 -0.79 -5.03 116.66 112.01 3mee n ARG 356 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3mee n ARG 356 Cb 0.58 -0.47 0.00 0.00 0.45 0.00 0.00 32.46 33.02 3mee n ARG 356 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3mee n THR 362 N 0.67 0.00 -3.65 5.15 5.66 -1.26 -5.02 114.28 115.84 3mee n THR 362 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 3mee n THR 362 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 3mee n THR 362 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3mee s ASN 363 N -4.00 5.60 0.24 1.09 3.84 -1.26 -4.99 114.94 115.46 3mee s ASN 363 Ca 0.00 -0.99 -0.12 0.00 0.21 0.00 0.00 52.86 51.96 3mee s ASN 363 Cb 0.00 -1.98 0.33 0.00 -0.55 0.00 0.00 41.25 39.05 3mee s ASN 363 CO 0.00 -0.35 1.59 0.44 -2.79 0.00 0.00 177.10 175.99 3mee h ASP 364 N 8.37 -0.80 0.30 -4.21 3.45 -2.04 -1.05 116.42 120.43 3mee h ASP 364 Ca -0.26 0.25 -0.14 0.00 0.43 0.00 0.00 57.03 57.31 3mee h ASP 364 Cb 1.10 0.52 -0.01 0.00 -0.56 0.00 0.00 39.33 40.38 3mee h ASP 364 CO 0.65 -0.27 -0.57 0.58 -1.57 0.00 0.00 179.24 178.06 3mee h VAL 365 N -0.01 1.37 -0.43 -1.35 2.07 -1.99 -1.15 116.25 114.77 3mee h VAL 365 Ca 0.38 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 3mee h VAL 365 Cb 0.59 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3mee h VAL 365 CO -0.84 0.56 0.14 0.50 0.02 0.00 0.00 177.57 177.95 3mee h LYS 366 N 0.21 0.67 -0.70 1.57 3.64 -1.72 -0.07 116.57 120.17 3mee h LYS 366 Ca -0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 3mee h LYS 366 Cb 1.06 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 3mee h LYS 366 CO 0.09 0.65 0.15 1.96 -2.27 0.00 0.00 179.45 180.03 3mee h GLN 367 N 0.55 1.13 -0.35 1.90 4.20 -0.92 -1.15 115.11 120.47 3mee h GLN 367 Ca 0.14 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3mee h GLN 367 Cb 0.26 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3mee h GLN 367 CO -0.00 1.00 0.03 1.25 -0.67 0.00 0.00 178.83 180.44 3mee h LEU 368 N 1.06 0.57 -0.94 1.46 6.46 -1.09 -0.05 115.31 122.79 3mee h LEU 368 Ca 0.22 -0.28 0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3mee h LEU 368 Cb 0.40 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 3mee h LEU 368 CO 0.01 0.71 0.62 0.74 -0.62 0.00 0.00 178.44 179.90 3mee h THR 369 N 0.41 1.21 -0.32 1.05 2.02 -0.74 -0.45 112.91 116.10 3mee h THR 369 Ca 0.10 -0.43 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 3mee h THR 369 Cb 0.40 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3mee h THR 369 CO 0.01 0.23 -0.39 -0.33 0.37 0.00 0.00 175.52 175.41 3mee h GLU 370 N 1.25 0.77 -0.46 6.66 5.08 -0.98 -2.86 114.58 124.03 3mee h GLU 370 Ca 0.36 -0.40 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3mee h GLU 370 Cb -0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3mee h GLU 370 CO -0.09 1.02 -0.22 0.00 -1.00 0.00 0.00 179.01 178.72 3mee h ALA 371 N 0.93 0.65 -0.52 3.43 0.00 -0.31 -1.56 119.26 121.89 3mee h ALA 371 Ca 0.05 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.61 3mee h ALA 371 Cb 0.94 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3mee h ALA 371 CO 0.09 0.64 0.27 0.28 0.00 0.00 0.00 179.25 180.53 3mee h VAL 372 N 0.82 0.97 -0.16 0.00 2.07 -1.09 0.18 116.25 119.04 3mee h VAL 372 Ca 0.10 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3mee h VAL 372 Cb 0.80 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3mee h VAL 372 CO 0.07 0.10 0.03 1.56 0.02 0.00 0.00 177.57 179.34 3mee h GLN 373 N 0.52 0.26 -0.11 1.57 4.20 -1.25 0.89 115.11 121.19 3mee h GLN 373 Ca 0.23 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.91 3mee h GLN 373 Cb 0.13 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 3mee h GLN 373 CO -0.15 0.43 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.00 3mee h LYS 374 N 0.05 -0.28 -0.81 1.46 3.64 -1.10 0.16 116.57 119.69 3mee h LYS 374 Ca 0.05 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3mee h LYS 374 Cb 0.30 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3mee h LYS 374 CO 0.00 -0.18 0.43 0.82 -2.27 0.00 0.00 179.45 178.25 3mee h ILE 375 N -0.29 1.24 -0.51 2.00 2.04 -0.77 -1.29 117.51 119.93 3mee h ILE 375 Ca 0.09 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 3mee h ILE 375 Cb 0.42 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3mee h ILE 375 CO -0.27 0.28 0.19 0.74 0.00 0.00 0.00 178.15 179.09 3mee h THR 376 N 1.14 1.22 0.05 -0.27 2.02 -0.23 -0.65 112.91 116.19 3mee h THR 376 Ca 0.28 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.79 3mee h THR 376 Cb 0.06 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3mee h THR 376 CO -0.04 0.26 -0.18 0.74 0.37 0.00 0.00 175.52 176.66 3mee h THR 377 N 0.69 0.57 -0.85 3.16 2.02 -0.01 0.84 112.91 119.33 3mee h THR 377 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 3mee h THR 377 Cb 0.22 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3mee h THR 377 CO -0.01 0.00 0.52 -0.33 0.37 0.00 0.00 175.52 176.07 3mee h GLU 378 N -0.32 0.91 -0.47 6.66 5.08 -1.17 -1.76 114.58 123.50 3mee h GLU 378 Ca 0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3mee h GLU 378 Cb 0.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3mee h GLU 378 CO -0.14 0.60 0.16 1.03 -1.00 0.00 0.00 179.01 179.66 3mee h SER 379 N 0.93 0.67 -0.68 1.42 0.87 -0.42 0.36 113.55 116.70 3mee h SER 379 Ca 0.38 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3mee h SER 379 Cb 0.21 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3mee h SER 379 CO -0.19 0.69 0.44 0.40 -0.53 0.00 0.00 176.83 177.64 3mee h ILE 380 N 0.62 1.14 -0.43 2.23 2.04 -0.62 -0.16 117.51 122.33 3mee h ILE 380 Ca 0.15 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3mee h ILE 380 Cb 0.24 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3mee h ILE 380 CO -0.01 0.16 -0.13 0.58 0.00 0.00 0.00 178.15 178.75 3mee h VAL 381 N 0.88 1.26 0.07 1.67 2.07 -0.74 0.15 116.25 121.61 3mee h VAL 381 Ca 0.26 -1.21 -0.16 0.00 0.82 0.00 0.00 66.70 66.42 3mee h VAL 381 Cb -0.05 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3mee h VAL 381 CO -0.08 0.41 -0.77 0.40 0.02 0.00 0.00 177.57 177.55 3mee h ILE 382 N 0.70 1.39 0.00 4.57 2.04 -0.76 -3.39 117.51 122.08 3mee h ILE 382 Ca 0.11 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3mee h ILE 382 Cb 0.62 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3mee h ILE 382 CO 0.04 0.62 -0.30 0.79 0.00 0.00 0.00 178.15 179.31 3mee n TRP 383 N -4.27 0.00 -2.42 1.37 8.01 -0.09 -4.95 117.44 115.08 3mee n TRP 383 Ca -0.18 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.93 3mee n TRP 383 Cb 0.71 -0.01 0.01 0.00 -2.01 0.00 0.00 31.31 30.01 3mee n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mee n GLY 384 N 1.21 0.20 3.28 6.99 0.00 0.52 -4.96 105.19 112.42 3mee n GLY 384 Ca 0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 3mee n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mee s LYS 385 N -4.79 0.63 -0.11 1.61 2.20 -1.24 -4.95 119.74 113.08 3mee s LYS 385 Ca 0.08 0.11 -0.08 0.00 -0.36 0.00 0.00 55.97 55.72 3mee s LYS 385 Cb -0.03 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.53 3mee s LYS 385 CO 0.10 -0.15 0.17 0.95 -0.36 0.00 0.00 175.35 176.06 3mee s THR 386 N -0.76 5.46 0.53 3.43 -4.23 -1.26 -2.90 115.64 115.91 3mee s THR 386 Ca -0.08 0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.52 3mee s THR 386 Cb -0.04 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.30 3mee s THR 386 CO 0.03 0.61 1.04 -2.16 -0.54 0.00 0.00 174.62 173.60 3mee s PRO 387 N -1.01 3.62 -0.21 3.99 0.04 -1.26 -4.63 135.00 135.54 3mee s PRO 387 Ca 0.16 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 3mee s PRO 387 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3mee s PRO 387 CO 0.05 -0.56 0.95 0.21 0.04 0.00 0.00 177.00 177.68 3mee s LYS 388 N -3.72 4.26 0.00 4.56 2.36 0.82 -4.24 119.74 123.79 3mee s LYS 388 Ca 0.64 1.20 -0.16 0.00 -2.55 0.00 0.00 55.97 55.10 3mee s LYS 388 Cb -0.15 -3.62 -0.06 0.00 -1.05 0.00 0.00 37.83 32.95 3mee s LYS 388 CO 0.29 -0.52 0.45 -0.06 1.55 0.00 0.00 175.35 177.05 3mee s PHE 389 N 2.83 3.72 -0.36 4.03 0.40 -0.39 -1.16 117.98 127.04 3mee s PHE 389 Ca 0.41 1.04 -0.11 0.00 -0.60 0.00 0.00 56.93 57.67 3mee s PHE 389 Cb -0.16 -2.36 0.02 0.00 0.51 0.00 0.00 43.02 41.04 3mee s PHE 389 CO 0.08 0.58 0.20 0.15 0.70 0.00 0.00 175.22 176.94 3mee s LYS 390 N -0.91 2.89 -0.23 0.44 1.02 0.70 -0.28 119.74 123.37 3mee s LYS 390 Ca 0.25 -1.03 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 3mee s LYS 390 Cb -0.17 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 3mee s LYS 390 CO 0.14 -0.66 0.09 -0.51 -0.92 0.00 0.00 175.35 173.50 3mee s LEU 391 N 1.56 3.71 -1.29 3.17 1.43 0.39 -3.11 118.68 124.54 3mee s LEU 391 Ca 0.02 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 3mee s LEU 391 Cb -0.19 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3mee s LEU 391 CO 0.06 0.04 2.32 -0.81 0.23 0.00 0.00 176.35 178.20 3mee n PRO 392 N 4.44 2.67 -3.92 1.29 -0.04 -1.26 -1.77 135.00 136.41 3mee n PRO 392 Ca -0.16 -2.21 -0.08 0.00 -0.04 0.00 0.00 63.50 61.01 3mee n PRO 392 Cb 0.52 -3.00 -0.04 0.00 -0.04 0.00 0.00 33.50 30.94 3mee n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3mee s ILE 393 N 3.36 0.00 -0.05 0.52 2.07 -1.25 -4.97 121.20 120.89 3mee s ILE 393 Ca 0.54 -1.19 -0.22 0.00 -1.41 0.00 0.00 60.65 58.37 3mee s ILE 393 Cb 0.15 -2.07 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 3mee s ILE 393 CO -0.03 -0.01 0.63 -1.58 -1.91 0.00 0.00 174.94 172.04 3mee s GLN 394 N -3.97 4.39 0.26 3.50 0.74 -1.26 -4.29 119.66 119.03 3mee s GLN 394 Ca 0.17 0.77 -0.07 0.00 0.05 0.00 0.00 55.36 56.27 3mee s GLN 394 Cb -0.03 -3.41 0.46 0.00 1.10 0.00 0.00 33.01 31.13 3mee s GLN 394 CO 0.07 0.19 1.59 -0.22 -0.55 0.00 0.00 175.29 176.37 3mee h LYS 395 N 6.35 0.02 -0.31 1.67 3.64 -1.96 -0.34 116.57 125.65 3mee h LYS 395 Ca -0.42 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 3mee h LYS 395 Cb 1.20 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3mee h LYS 395 CO 0.73 0.01 0.08 0.93 -2.27 0.00 0.00 179.45 178.94 3mee h GLU 396 N 0.02 0.49 -0.23 1.90 3.07 -1.99 -0.48 114.58 117.36 3mee h GLU 396 Ca 0.45 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3mee h GLU 396 Cb 0.76 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 3mee h GLU 396 CO -0.87 0.55 0.15 1.15 -1.40 0.00 0.00 179.01 178.59 3mee h THR 397 N 0.33 1.07 -0.38 1.13 2.02 -1.52 -1.57 112.91 114.00 3mee h THR 397 Ca 0.10 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3mee h THR 397 Cb 0.28 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3mee h THR 397 CO -0.00 0.07 0.25 -0.25 0.37 0.00 0.00 175.52 175.96 3mee h TRP 398 N 0.31 0.48 -0.17 3.16 2.91 -0.99 -2.89 115.95 118.76 3mee h TRP 398 Ca 0.09 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.03 3mee h TRP 398 Cb -0.01 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.46 3mee h TRP 398 CO -0.06 0.31 -0.28 0.93 -1.03 0.00 0.00 178.44 178.32 3mee h GLU 399 N 0.51 0.31 -0.72 2.65 5.08 -0.89 -0.89 114.58 120.64 3mee h GLU 399 Ca 0.14 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3mee h GLU 399 Cb -0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3mee h GLU 399 CO -0.03 0.57 0.20 1.15 -1.00 0.00 0.00 179.01 179.90 3mee h THR 400 N 0.28 1.26 0.00 1.13 2.02 -1.19 -3.40 112.91 113.01 3mee h THR 400 Ca 0.04 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 3mee h THR 400 Cb 0.64 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3mee h THR 400 CO 0.05 0.36 -1.65 0.79 0.37 0.00 0.00 175.52 175.44 3mee n TRP 401 N -4.24 0.00 0.07 3.16 7.02 -0.79 -4.70 117.44 117.95 3mee n TRP 401 Ca 0.06 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.56 3mee n TRP 401 Cb 0.24 -0.40 0.37 0.00 -2.42 0.00 0.00 31.31 29.10 3mee n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 3mee h TRP 402 N 0.00 0.37 0.00 -5.99 5.08 -1.40 -0.55 115.95 113.47 3mee h TRP 402 Ca -0.14 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.80 3mee h TRP 402 Cb 1.08 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 3mee h TRP 402 CO 0.00 0.40 0.00 1.79 -1.28 0.00 0.00 178.44 179.35 3mee h THR 403 N 0.35 0.00 0.00 0.12 1.35 -1.84 -0.78 112.91 112.12 3mee h THR 403 Ca 0.08 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3mee h THR 403 Cb 0.28 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3mee h THR 403 CO 0.01 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 174.95 3mee h GLU 404 N 0.00 0.00 0.00 4.72 4.39 -1.41 -3.30 114.58 118.99 3mee h GLU 404 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3mee h GLU 404 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3mee h GLU 404 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 3mee n TYR 405 N -2.91 0.00 -2.02 4.33 4.01 -0.38 -5.01 117.16 115.19 3mee n TYR 405 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 3mee n TYR 405 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 3mee n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mee s TRP 406 N -0.49 3.07 -0.01 -0.72 -0.11 -0.69 -4.87 118.94 115.11 3mee s TRP 406 Ca 0.00 0.90 0.02 0.00 1.22 0.00 0.00 56.10 58.25 3mee s TRP 406 Cb 0.00 -3.83 0.03 0.00 -1.50 0.00 0.00 33.47 28.18 3mee s TRP 406 CO 0.00 -2.83 0.84 1.04 -4.62 0.00 0.00 176.95 171.38 3mee n GLN 407 N 3.04 1.46 -4.23 5.86 6.02 -1.26 -4.55 117.38 123.72 3mee n GLN 407 Ca 0.09 -1.22 -0.23 0.00 -0.01 0.00 0.00 57.00 55.63 3mee n GLN 407 Cb 0.40 -0.83 -0.06 0.00 1.02 0.00 0.00 30.24 30.76 3mee n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mee s ALA 408 N -0.77 3.29 0.03 -1.58 0.00 -1.26 -4.84 121.76 116.63 3mee s ALA 408 Ca 0.04 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 50.51 3mee s ALA 408 Cb 0.03 -0.96 -0.24 0.00 0.00 0.00 0.00 23.12 21.96 3mee s ALA 408 CO 0.00 0.30 0.94 1.79 0.00 0.00 0.00 175.76 178.80 3mee h THR 409 N 1.87 1.26 -2.79 0.00 1.35 -2.01 -3.46 112.91 109.13 3mee h THR 409 Ca -0.46 -2.99 -0.45 0.00 -0.55 0.00 0.00 66.41 61.96 3mee h THR 409 Cb 1.24 2.68 0.06 0.00 -1.73 0.00 0.00 68.15 70.40 3mee h THR 409 CO 0.60 0.77 0.07 -1.66 -0.25 0.00 0.00 175.52 175.05 3mee s TRP 410 N -2.64 2.58 -0.05 4.73 1.48 -1.26 -4.72 118.94 119.05 3mee s TRP 410 Ca -0.04 0.06 -0.00 0.00 -1.06 0.00 0.00 56.10 55.05 3mee s TRP 410 Cb 0.08 -2.95 0.03 0.00 -1.16 0.00 0.00 33.47 29.47 3mee s TRP 410 CO 0.83 -1.23 -0.00 0.42 -4.06 0.00 0.00 176.95 172.91 3mee s ILE 411 N -2.99 0.27 0.78 0.66 1.01 -1.26 -5.05 121.20 114.61 3mee s ILE 411 Ca 0.60 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 61.24 3mee s ILE 411 Cb -0.09 -0.39 0.06 0.00 0.01 0.00 0.00 42.46 42.05 3mee s ILE 411 CO 0.42 0.20 1.09 -2.16 0.00 0.00 0.00 174.94 174.48 3mee s PRO 412 N 1.40 2.25 0.46 2.79 0.04 -1.26 -4.89 135.00 135.79 3mee s PRO 412 Ca -0.04 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 3mee s PRO 412 Cb -0.13 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 3mee s PRO 412 CO -0.03 -1.53 0.99 -1.21 0.04 0.00 0.00 177.00 175.27 3mee s GLU 413 N -5.11 4.01 0.08 4.56 2.02 -1.26 -4.98 118.70 118.02 3mee s GLU 413 Ca 0.60 1.23 -0.13 0.00 0.02 0.00 0.00 54.97 56.70 3mee s GLU 413 Cb -0.15 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 31.97 3mee s GLU 413 CO 0.55 -0.23 0.30 1.67 0.02 0.00 0.00 175.26 177.56 3mee s TRP 414 N -2.09 -0.05 0.24 1.61 -2.14 -1.26 -1.27 118.94 113.97 3mee s TRP 414 Ca 0.64 -0.22 0.01 0.00 2.66 0.00 0.00 56.10 59.19 3mee s TRP 414 Cb -0.13 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.30 3mee s TRP 414 CO 0.17 -0.57 0.19 -1.83 -2.66 0.00 0.00 176.95 172.25 3mee s GLU 415 N -3.31 1.38 -0.03 3.25 -1.05 0.62 -4.90 118.70 114.66 3mee s GLU 415 Ca 0.00 -1.73 0.07 0.00 -0.15 0.00 0.00 54.97 53.16 3mee s GLU 415 Cb 0.02 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 3mee s GLU 415 CO -0.08 -0.48 -0.25 -0.06 0.95 0.00 0.00 175.26 175.34 3mee s PHE 416 N -3.93 2.26 0.03 4.83 0.08 -1.26 -0.47 117.98 119.52 3mee s PHE 416 Ca 0.39 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 3mee s PHE 416 Cb 0.05 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 3mee s PHE 416 CO 0.17 -0.09 0.03 0.54 -0.10 0.00 0.00 175.22 175.77 3mee s VAL 417 N -0.46 0.13 -0.37 -0.44 0.11 -0.73 -4.87 120.40 113.78 3mee s VAL 417 Ca 0.06 -1.11 -0.16 0.00 -2.93 0.00 0.00 61.98 57.84 3mee s VAL 417 Cb -0.11 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.03 3mee s VAL 417 CO 0.00 -0.61 0.37 0.20 -3.33 0.00 0.00 175.10 171.73 3mee s ASN 418 N -1.94 6.17 0.04 3.54 0.01 -1.26 -3.84 114.94 117.65 3mee s ASN 418 Ca -0.08 -0.43 -0.32 0.00 -0.71 0.00 0.00 52.86 51.32 3mee s ASN 418 Cb -0.04 -2.20 -0.11 0.00 0.41 0.00 0.00 41.25 39.32 3mee s ASN 418 CO -0.04 -0.41 1.88 0.41 -1.51 0.00 0.00 177.10 177.44 3mee n THR 419 N 5.28 0.55 -1.77 1.60 -1.04 -1.26 -4.91 114.28 112.73 3mee n THR 419 Ca -0.09 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.40 3mee n THR 419 Cb 0.49 -2.09 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 3mee n THR 419 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3mee s PRO 420 N 3.61 4.15 0.48 -2.82 0.04 -1.26 -4.85 135.00 134.36 3mee s PRO 420 Ca 0.87 2.50 0.20 0.00 0.04 0.00 0.00 61.00 64.62 3mee s PRO 420 Cb -0.54 -3.98 1.23 0.00 0.04 0.00 0.00 34.50 31.25 3mee s PRO 420 CO 0.43 -0.90 1.98 -1.00 0.04 0.00 0.00 177.00 177.55 3mee h PRO 421 N 9.86 0.19 0.47 0.56 0.13 -2.02 -2.19 132.00 138.99 3mee h PRO 421 Ca -0.46 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3mee h PRO 421 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3mee h PRO 421 CO 0.94 0.12 -0.23 -0.07 -0.23 0.00 0.00 178.00 178.54 3mee h LEU 422 N 0.19 -0.54 -0.73 1.56 -0.00 -2.02 -2.97 115.31 110.80 3mee h LEU 422 Ca 0.28 0.02 0.27 0.00 -0.00 0.00 0.00 57.88 58.45 3mee h LEU 422 Cb 0.85 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 41.56 3mee h LEU 422 CO -0.05 -0.23 0.44 0.52 -0.00 0.00 0.00 178.44 179.12 3mee n VAL 423 N -4.57 -0.19 0.20 1.22 0.31 -0.83 0.11 118.33 114.58 3mee n VAL 423 Ca -0.08 1.12 -0.15 0.00 -0.01 0.00 0.00 64.34 65.22 3mee n VAL 423 Cb 0.25 -1.83 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 3mee n VAL 423 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3mee h LYS 424 N 0.00 -0.42 -0.02 5.55 3.64 -1.48 -2.89 116.57 120.94 3mee h LYS 424 Ca 0.51 0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.74 3mee h LYS 424 Cb 1.54 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 3mee h LYS 424 CO -0.35 -0.28 -0.81 1.37 -2.27 0.00 0.00 179.45 177.11 3mee h LEU 425 N -0.44 0.32 -2.40 5.20 -0.00 -0.40 -2.37 115.31 115.21 3mee h LEU 425 Ca -0.05 -0.24 0.02 0.00 -0.00 0.00 0.00 57.88 57.62 3mee h LEU 425 Cb 0.34 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 3mee h LEU 425 CO 0.07 1.00 0.10 -0.50 -0.00 0.00 0.00 178.44 179.11 3mee h TRP 426 N 0.16 0.00 -0.07 0.17 6.55 -1.42 0.15 115.95 121.48 3mee h TRP 426 Ca -0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.80 3mee h TRP 426 Cb 1.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.70 3mee h TRP 426 CO 0.03 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.08 3mee n TYR 427 N -3.71 0.06 -1.04 0.49 4.01 -1.02 -4.72 117.16 111.23 3mee n TYR 427 Ca -0.01 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.40 3mee n TYR 427 Cb 0.19 -0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.39 3mee n TYR 427 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3mee s GLN 428 N -1.78 0.85 0.00 -0.72 0.74 0.51 -4.94 119.66 114.33 3mee s GLN 428 Ca 0.27 0.90 0.09 0.00 0.05 0.00 0.00 55.36 56.67 3mee s GLN 428 Cb 0.19 -1.76 0.07 0.00 1.10 0.00 0.00 33.01 32.61 3mee s GLN 428 CO 0.28 -2.54 0.78 1.47 -0.55 0.00 0.00 175.29 174.72