#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mec s THR 7 N 0.00 4.68 -0.17 6.31 -4.23 -1.26 -4.98 115.64 115.99 3mec s THR 7 Ca 0.00 0.50 -0.14 0.00 -1.18 0.00 0.00 61.69 60.87 3mec s THR 7 Cb 0.00 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 3mec s THR 7 CO 0.00 -0.95 0.31 -0.69 -0.54 0.00 0.00 174.62 172.76 3mec s VAL 8 N -2.98 5.28 0.22 2.29 1.01 -1.26 -4.97 120.40 119.99 3mec s VAL 8 Ca 0.52 0.57 -0.32 0.00 0.00 0.00 0.00 61.98 62.75 3mec s VAL 8 Cb -0.11 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3mec s VAL 8 CO 0.49 0.35 1.70 -2.65 0.00 0.00 0.00 175.10 174.99 3mec n PRO 9 N 3.84 2.74 -4.57 2.72 -0.02 -1.26 -4.33 135.00 134.11 3mec n PRO 9 Ca -0.11 0.99 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 3mec n PRO 9 Cb 0.52 -2.82 -0.17 0.00 -0.02 0.00 0.00 33.50 31.01 3mec n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mec s VAL 10 N 0.99 1.64 -0.02 -1.45 1.01 -1.26 -5.10 120.40 116.22 3mec s VAL 10 Ca 0.74 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3mec s VAL 10 Cb -0.51 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3mec s VAL 10 CO 0.35 0.47 -0.07 -0.75 0.00 0.00 0.00 175.10 175.10 3mec s LYS 11 N 0.88 2.62 0.94 2.72 2.20 -1.26 -4.80 119.74 123.03 3mec s LYS 11 Ca -0.08 -0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 54.72 3mec s LYS 11 Cb -0.15 -2.53 0.16 0.00 -1.51 0.00 0.00 37.83 33.80 3mec s LYS 11 CO -0.00 0.62 1.20 -0.51 -0.36 0.00 0.00 175.35 176.30 3mec s LEU 12 N -1.23 2.19 0.15 5.43 1.43 -1.26 -4.68 118.68 120.71 3mec s LEU 12 Ca 0.16 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 3mec s LEU 12 Cb -0.11 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 3mec s LEU 12 CO 0.06 -2.63 1.15 -0.54 0.23 0.00 0.00 176.35 174.62 3mec s LYS 13 N -5.55 4.52 0.41 1.70 1.02 -0.81 -4.95 119.74 116.07 3mec s LYS 13 Ca 0.67 1.78 -0.26 0.00 0.02 0.00 0.00 55.97 58.19 3mec s LYS 13 Cb -0.10 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 3mec s LYS 13 CO 0.52 -0.06 1.30 -0.35 -0.92 0.00 0.00 175.35 175.85 3mec n PRO 14 N 2.75 2.02 -0.02 -1.68 -0.04 -1.26 -1.69 135.00 135.09 3mec n PRO 14 Ca 0.05 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3mec n PRO 14 Cb 0.46 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3mec n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mec n GLY 15 N 0.76 2.55 3.79 0.55 0.00 -1.26 -5.01 105.19 106.57 3mec n GLY 15 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3mec n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mec s MET 16 N -0.14 3.61 0.52 1.61 -1.94 -0.68 -5.11 119.30 117.17 3mec s MET 16 Ca 0.00 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.79 3mec s MET 16 Cb 0.00 -3.19 0.03 0.00 2.01 0.00 0.00 34.83 33.68 3mec s MET 16 CO 0.00 0.60 0.72 0.34 -0.01 0.00 0.00 175.02 176.67 3mec s ASP 17 N -0.53 5.38 1.42 3.03 -1.08 -1.26 -4.76 116.67 118.88 3mec s ASP 17 Ca 0.12 -0.10 -0.22 0.00 -0.52 0.00 0.00 52.55 51.83 3mec s ASP 17 Cb -0.12 -0.85 0.34 0.00 -1.46 0.00 0.00 42.92 40.84 3mec s ASP 17 CO 0.02 -1.04 0.82 0.61 0.52 0.00 0.00 175.17 176.10 3mec n GLY 18 N -2.22 -3.81 3.76 2.66 0.00 -1.26 -4.97 105.19 99.35 3mec n GLY 18 Ca 0.08 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 3mec n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mec s PRO 19 N -4.96 4.54 -0.44 1.61 0.02 -1.26 -4.99 135.00 129.52 3mec s PRO 19 Ca 0.62 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.62 3mec s PRO 19 Cb -0.10 -3.14 0.24 0.00 0.02 0.00 0.00 34.50 31.53 3mec s PRO 19 CO 0.51 0.09 0.55 1.63 -0.33 0.00 0.00 177.00 179.46 3mec n LYS 20 N 1.04 1.03 -4.59 5.54 5.02 -1.23 -1.13 118.16 123.85 3mec n LYS 20 Ca -0.01 -3.50 -0.34 0.00 -2.02 0.00 0.00 58.31 52.44 3mec n LYS 20 Cb 0.44 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 3mec n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mec s VAL 21 N -1.35 3.68 0.30 -0.18 1.01 0.28 -4.86 120.40 119.28 3mec s VAL 21 Ca 0.36 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 3mec s VAL 21 Cb 0.16 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 3mec s VAL 21 CO -0.10 0.57 1.08 -0.75 0.00 0.00 0.00 175.10 175.90 3mec s LYS 22 N -0.43 4.57 0.01 2.72 2.20 -1.26 -4.09 119.74 123.47 3mec s LYS 22 Ca 0.06 1.73 -0.30 0.00 -0.36 0.00 0.00 55.97 57.10 3mec s LYS 22 Cb -0.12 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 3mec s LYS 22 CO 0.02 0.17 1.27 -1.14 -0.36 0.00 0.00 175.35 175.32 3mec s GLN 23 N -1.61 4.36 0.54 4.03 2.00 -1.26 -4.66 119.66 123.05 3mec s GLN 23 Ca 0.47 1.82 -0.20 0.00 -2.00 0.00 0.00 55.36 55.45 3mec s GLN 23 Cb -0.30 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 3mec s GLN 23 CO 0.38 -0.42 1.21 -1.58 -0.50 0.00 0.00 175.29 174.38 3mec s TRP 24 N 1.79 2.54 0.46 1.67 0.52 -1.26 -4.99 118.94 119.66 3mec s TRP 24 Ca 0.60 1.50 -0.24 0.00 0.02 0.00 0.00 56.10 57.98 3mec s TRP 24 Cb -0.29 -3.48 -0.07 0.00 -1.15 0.00 0.00 33.47 28.48 3mec s TRP 24 CO 0.26 -2.05 1.25 -1.25 0.02 0.00 0.00 176.95 175.18 3mec s PRO 25 N -3.10 3.70 0.13 4.98 0.04 -1.26 -4.92 135.00 134.57 3mec s PRO 25 Ca 0.72 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.82 3mec s PRO 25 Cb -0.30 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 3mec s PRO 25 CO 0.35 -0.66 -0.16 -0.51 0.04 0.00 0.00 177.00 176.06 3mec s LEU 26 N -2.93 2.39 0.77 -3.56 1.43 -1.26 -5.12 118.68 110.41 3mec s LEU 26 Ca 0.63 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3mec s LEU 26 Cb -0.34 -0.68 0.06 0.00 0.03 0.00 0.00 46.19 45.26 3mec s LEU 26 CO 0.42 -0.08 1.10 0.42 0.23 0.00 0.00 176.35 178.44 3mec s THR 27 N -1.93 3.12 0.22 5.49 -4.23 -1.26 -4.87 115.64 112.19 3mec s THR 27 Ca 0.10 0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 3mec s THR 27 Cb -0.06 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.75 3mec s THR 27 CO 0.04 -0.48 1.76 -0.08 -0.54 0.00 0.00 174.62 175.32 3mec h GLU 28 N -0.97 0.47 -0.23 3.99 4.81 -2.01 -2.18 114.58 118.46 3mec h GLU 28 Ca -0.46 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.59 3mec h GLU 28 Cb 1.27 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3mec h GLU 28 CO 0.61 0.31 -0.47 1.05 -0.73 0.00 0.00 179.01 179.78 3mec h GLU 29 N 0.49 0.60 -0.18 1.92 4.11 -1.99 -1.29 114.58 118.23 3mec h GLU 29 Ca 0.34 -0.34 -0.15 0.00 0.07 0.00 0.00 59.36 59.27 3mec h GLU 29 Cb 0.41 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3mec h GLU 29 CO -0.31 0.94 -0.53 0.87 0.07 0.00 0.00 179.01 180.06 3mec h LYS 30 N 0.48 0.53 -0.45 1.06 1.79 -1.88 -1.84 116.57 116.27 3mec h LYS 30 Ca 0.03 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.12 3mec h LYS 30 Cb 1.00 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 3mec h LYS 30 CO 0.09 0.93 0.07 0.82 -1.08 0.00 0.00 179.45 180.28 3mec h ILE 31 N 0.41 1.24 -0.63 1.86 2.04 -1.15 -1.46 117.51 119.82 3mec h ILE 31 Ca 0.01 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.00 3mec h ILE 31 Cb 1.06 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3mec h ILE 31 CO 0.10 0.31 0.39 0.50 0.00 0.00 0.00 178.15 179.45 3mec h LYS 32 N 0.60 0.76 -0.21 2.37 3.64 -1.15 -0.74 116.57 121.84 3mec h LYS 32 Ca 0.14 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3mec h LYS 32 Cb 0.38 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3mec h LYS 32 CO 0.01 0.50 -0.20 0.00 -2.27 0.00 0.00 179.45 177.49 3mec h ALA 33 N 1.26 1.28 0.00 5.00 0.00 -1.04 -1.78 119.26 123.99 3mec h ALA 33 Ca 0.25 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3mec h ALA 33 Cb -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3mec h ALA 33 CO -0.09 0.48 -0.94 -0.07 0.00 0.00 0.00 179.25 178.63 3mec h LEU 34 N 0.33 0.47 -0.04 0.00 3.38 -0.71 -1.83 115.31 116.92 3mec h LEU 34 Ca 0.06 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3mec h LEU 34 Cb 0.55 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mec h LEU 34 CO 0.04 1.19 0.01 0.58 0.09 0.00 0.00 178.44 180.35 3mec h VAL 35 N 0.20 1.15 0.33 1.22 2.07 -0.87 0.02 116.25 120.37 3mec h VAL 35 Ca -0.07 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3mec h VAL 35 Cb 1.57 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3mec h VAL 35 CO 0.16 0.12 -0.48 -0.08 0.02 0.00 0.00 177.57 177.32 3mec h GLU 36 N -0.12 -0.82 -0.36 1.57 4.81 -1.32 0.19 114.58 118.53 3mec h GLU 36 Ca 0.01 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3mec h GLU 36 Cb 0.19 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3mec h GLU 36 CO -0.00 -0.55 0.12 0.82 -0.73 0.00 0.00 179.01 178.67 3mec h ILE 37 N -0.85 0.88 -0.04 2.32 2.04 -1.31 -2.38 117.51 118.16 3mec h ILE 37 Ca -0.03 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 3mec h ILE 37 Cb 0.79 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3mec h ILE 37 CO -0.15 0.05 -0.49 0.00 0.00 0.00 0.00 178.15 177.56 3mec h THR 39 N 0.09 1.17 -0.10 0.00 2.02 -0.14 -0.84 112.91 115.11 3mec h THR 39 Ca 0.00 -0.39 -0.16 0.00 0.77 0.00 0.00 66.41 66.63 3mec h THR 39 Cb 0.91 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3mec h THR 39 CO 0.07 0.21 -0.56 -0.08 0.37 0.00 0.00 175.52 175.53 3mec h GLU 40 N 1.15 0.56 -0.10 6.66 4.57 -0.98 -2.41 114.58 124.04 3mec h GLU 40 Ca 0.35 -0.47 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3mec h GLU 40 Cb -0.02 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3mec h GLU 40 CO -0.10 1.09 -0.18 0.52 -1.18 0.00 0.00 179.01 179.16 3mec h MET 41 N 0.18 0.16 0.24 1.92 2.86 -0.95 -2.22 114.93 117.11 3mec h MET 41 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3mec h MET 41 Cb 1.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3mec h MET 41 CO 0.12 0.34 -0.11 1.49 1.06 0.00 0.00 176.91 179.80 3mec h GLU 42 N 0.15 -0.31 -0.42 1.72 4.81 -1.14 0.68 114.58 120.07 3mec h GLU 42 Ca 0.03 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 3mec h GLU 42 Cb 0.41 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3mec h GLU 42 CO 0.03 0.04 0.40 0.87 -0.73 0.00 0.00 179.01 179.62 3mec h LYS 43 N -0.73 0.00 -0.01 1.92 1.57 -1.24 0.25 116.57 118.33 3mec h LYS 43 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3mec h LYS 43 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3mec h LYS 43 CO 0.05 0.00 -0.22 0.39 -0.57 0.00 0.00 179.45 179.10 3mec n GLU 44 N -3.87 1.27 -0.67 3.15 1.02 -0.85 -4.96 120.64 115.74 3mec n GLU 44 Ca 0.07 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 3mec n GLU 44 Cb 0.59 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3mec n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mec n GLY 45 N 1.32 0.83 0.34 0.62 0.00 0.88 -4.92 105.19 104.26 3mec n GLY 45 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3mec n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mec h LYS 46 N 3.66 1.08 -4.55 1.61 1.79 -1.11 -3.42 116.57 115.62 3mec h LYS 46 Ca 0.00 -0.14 -0.24 0.00 -2.18 0.00 0.00 60.65 58.09 3mec h LYS 46 Cb 0.00 -0.21 -0.18 0.00 -1.58 0.00 0.00 32.23 30.26 3mec h LYS 46 CO 0.00 0.81 -0.72 0.96 -1.08 0.00 0.00 179.45 179.43 3mec s ILE 47 N -5.66 0.56 0.06 1.86 -4.36 -1.22 -0.03 121.20 112.41 3mec s ILE 47 Ca -0.11 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 58.88 3mec s ILE 47 Cb 0.17 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.81 3mec s ILE 47 CO 0.81 -0.60 -0.11 -0.94 0.24 0.00 0.00 174.94 174.34 3mec s SER 48 N -2.19 1.27 0.41 4.36 1.04 -0.64 -4.30 113.70 113.65 3mec s SER 48 Ca -0.01 -0.60 -0.25 0.00 0.48 0.00 0.00 55.95 55.57 3mec s SER 48 Cb -0.03 -0.00 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 3mec s SER 48 CO -0.02 -0.15 1.18 0.29 0.98 0.00 0.00 173.24 175.52 3mec n LYS 49 N 1.32 1.74 -4.37 4.02 4.76 -1.26 -1.70 118.16 122.68 3mec n LYS 49 Ca -0.22 0.62 -0.19 0.00 -2.87 0.00 0.00 58.31 55.65 3mec n LYS 49 Cb 0.55 -2.24 -0.10 0.00 -1.84 0.00 0.00 35.03 31.39 3mec n LYS 49 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3mec s ILE 50 N -1.20 1.66 0.40 -0.18 -4.36 -0.70 -4.83 121.20 111.99 3mec s ILE 50 Ca 0.61 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.89 3mec s ILE 50 Cb -0.54 -2.18 0.06 0.00 1.25 0.00 0.00 42.46 41.05 3mec s ILE 50 CO 0.58 -0.49 0.51 0.61 0.24 0.00 0.00 174.94 176.39 3mec n GLY 51 N -0.44 2.11 0.01 6.27 0.00 -1.26 -4.76 105.19 107.12 3mec n GLY 51 Ca -0.07 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 43.85 3mec n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mec n PRO 52 N -1.80 0.02 0.00 1.61 -0.04 -1.26 -2.01 135.00 131.52 3mec n PRO 52 Ca 0.09 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 3mec n PRO 52 Cb 0.42 -1.53 0.51 0.00 -0.04 0.00 0.00 33.50 32.86 3mec n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3mec n GLU 53 N -1.57 0.24 -3.40 0.54 0.00 -1.26 -4.28 120.64 110.90 3mec n GLU 53 Ca 0.05 0.10 -0.43 0.00 0.00 0.00 0.00 57.16 56.88 3mec n GLU 53 Cb 0.27 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.11 3mec n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3mec s ASN 54 N -2.66 6.15 0.09 -1.84 3.84 -0.85 -4.95 114.94 114.71 3mec s ASN 54 Ca 0.18 -0.81 0.25 0.00 0.21 0.00 0.00 52.86 52.69 3mec s ASN 54 Cb 0.14 -2.19 0.60 0.00 -0.55 0.00 0.00 41.25 39.25 3mec s ASN 54 CO 0.33 -0.51 1.52 -0.81 -2.79 0.00 0.00 177.10 174.84 3mec n PRO 55 N 5.35 0.17 -1.90 0.43 -0.04 -1.26 -4.96 135.00 132.79 3mec n PRO 55 Ca -0.09 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 3mec n PRO 55 Cb 0.47 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 3mec n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mec s TYR 56 N -3.09 3.58 -0.13 0.54 2.02 -1.26 -4.89 117.35 114.13 3mec s TYR 56 Ca 0.09 1.31 -0.28 0.00 -0.37 0.00 0.00 57.07 57.82 3mec s TYR 56 Cb 0.15 -2.74 0.07 0.00 -0.40 0.00 0.00 41.96 39.04 3mec s TYR 56 CO 0.67 -0.69 0.68 1.21 -1.57 0.00 0.00 175.55 175.84 3mec s ASN 57 N -4.06 -0.68 -0.01 2.29 2.47 -0.28 -4.74 114.94 109.93 3mec s ASN 57 Ca 0.56 0.97 0.03 0.00 0.42 0.00 0.00 52.86 54.84 3mec s ASN 57 Cb -0.11 0.88 -0.00 0.00 -1.45 0.00 0.00 41.25 40.56 3mec s ASN 57 CO 0.52 -0.47 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.45 3mec s THR 58 N -0.60 0.74 0.50 -5.21 2.01 -0.35 -0.55 115.64 112.18 3mec s THR 58 Ca -0.07 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 3mec s THR 58 Cb -0.02 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.79 3mec s THR 58 CO 0.06 0.22 1.17 -2.84 -0.69 0.00 0.00 174.62 172.55 3mec s PRO 59 N -0.04 3.52 0.16 4.92 0.02 -1.26 -4.15 135.00 138.18 3mec s PRO 59 Ca 0.01 1.77 0.09 0.00 0.02 0.00 0.00 61.00 62.88 3mec s PRO 59 Cb -0.06 -2.23 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 3mec s PRO 59 CO -0.00 -0.75 -0.19 0.14 -0.33 0.00 0.00 177.00 175.87 3mec s VAL 60 N -1.60 1.88 0.16 3.83 -7.23 -1.26 -1.13 120.40 115.04 3mec s VAL 60 Ca 0.68 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 3mec s VAL 60 Cb -0.28 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 3mec s VAL 60 CO 0.33 -0.28 0.05 -0.36 -0.31 0.00 0.00 175.10 174.53 3mec s PHE 61 N -1.96 1.03 -0.07 2.82 0.08 0.37 -4.83 117.98 115.42 3mec s PHE 61 Ca 0.16 -1.18 0.02 0.00 0.12 0.00 0.00 56.93 56.05 3mec s PHE 61 Cb -0.06 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 3mec s PHE 61 CO 0.07 -0.42 -0.12 0.00 -0.10 0.00 0.00 175.22 174.65 3mec s ALA 62 N -3.92 2.74 0.21 5.36 0.00 -1.26 -0.17 121.76 124.72 3mec s ALA 62 Ca 0.26 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.36 3mec s ALA 62 Cb 0.07 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 3mec s ALA 62 CO 0.04 0.49 -0.12 0.96 0.00 0.00 0.00 175.76 177.13 3mec s ILE 63 N -0.50 1.65 -1.00 0.00 -4.36 0.03 -4.94 121.20 112.07 3mec s ILE 63 Ca 0.07 -2.18 -0.04 0.00 -0.26 0.00 0.00 60.65 58.24 3mec s ILE 63 Cb -0.12 -2.10 0.28 0.00 1.25 0.00 0.00 42.46 41.76 3mec s ILE 63 CO 0.02 -0.55 1.15 0.29 0.24 0.00 0.00 174.94 176.09 3mec n LYS 64 N -0.40 3.62 0.00 0.37 4.76 -1.26 -0.44 118.16 124.81 3mec n LYS 64 Ca -0.08 -4.53 0.00 0.00 -2.87 0.00 0.00 58.31 50.84 3mec n LYS 64 Cb 0.61 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 3mec n LYS 64 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3mec n LYS 65 N 1.84 0.00 -0.52 1.97 5.02 -1.25 -4.88 118.16 120.35 3mec n LYS 65 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3mec n LYS 65 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 3mec n LYS 65 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3mec n SER 68 N 0.00 -3.04 -4.38 4.39 7.64 -1.26 -4.78 113.62 112.19 3mec n SER 68 Ca 0.00 0.20 -0.45 0.00 1.01 0.00 0.00 58.87 59.62 3mec n SER 68 Cb 0.00 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.36 3mec n SER 68 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mec s THR 69 N -0.55 5.37 -0.29 0.44 -4.23 -1.26 -4.92 115.64 110.20 3mec s THR 69 Ca 0.00 -2.42 -0.12 0.00 -1.18 0.00 0.00 61.69 57.97 3mec s THR 69 Cb 0.00 -4.63 0.12 0.00 1.34 0.00 0.00 72.50 69.33 3mec s THR 69 CO 0.00 -1.26 0.71 -0.54 -0.54 0.00 0.00 174.62 172.99 3mec s LYS 70 N 0.77 0.57 0.31 3.99 1.02 -1.26 -5.16 119.74 120.00 3mec s LYS 70 Ca 0.27 1.29 -0.29 0.00 0.02 0.00 0.00 55.97 57.27 3mec s LYS 70 Cb -0.08 0.62 -0.10 0.00 -0.52 0.00 0.00 37.83 37.75 3mec s LYS 70 CO -0.08 -0.17 1.36 -1.58 -0.92 0.00 0.00 175.35 173.96 3mec s TRP 71 N 2.47 2.98 0.02 3.18 0.52 -1.26 -3.81 118.94 123.04 3mec s TRP 71 Ca -0.07 1.28 0.05 0.00 0.02 0.00 0.00 56.10 57.38 3mec s TRP 71 Cb -0.09 -3.76 -0.02 0.00 -1.15 0.00 0.00 33.47 28.45 3mec s TRP 71 CO -0.19 -2.21 -0.14 0.50 0.02 0.00 0.00 176.95 174.93 3mec s ARG 72 N -1.44 1.05 0.11 4.98 3.52 0.41 -4.98 118.95 122.60 3mec s ARG 72 Ca 0.52 -0.65 -0.25 0.00 -0.13 0.00 0.00 55.73 55.23 3mec s ARG 72 Cb -0.41 -1.04 -0.07 0.00 -1.56 0.00 0.00 34.95 31.87 3mec s ARG 72 CO 0.52 0.27 0.76 0.21 -0.81 0.00 0.00 175.30 176.24 3mec s LYS 73 N -0.77 4.51 -0.13 5.12 2.20 -1.26 -0.79 119.74 128.62 3mec s LYS 73 Ca 0.04 1.09 -0.00 0.00 -0.36 0.00 0.00 55.97 56.73 3mec s LYS 73 Cb -0.07 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3mec s LYS 73 CO 0.00 0.45 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.20 3mec s LEU 74 N -0.67 1.39 -0.25 5.43 2.96 0.76 -4.92 118.68 123.38 3mec s LEU 74 Ca 0.36 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 3mec s LEU 74 Cb -0.22 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 3mec s LEU 74 CO 0.24 -0.13 0.17 -0.69 -1.32 0.00 0.00 176.35 174.63 3mec s VAL 75 N 1.65 5.35 -1.06 1.68 1.01 -1.26 -0.48 120.40 127.29 3mec s VAL 75 Ca 0.04 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 3mec s VAL 75 Cb -0.13 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.82 3mec s VAL 75 CO -0.08 0.33 1.41 -0.62 0.00 0.00 0.00 175.10 176.13 3mec s ASP 76 N 1.17 6.64 -0.10 3.32 3.68 -0.29 -4.83 116.67 126.25 3mec s ASP 76 Ca 0.08 -1.90 0.06 0.00 2.13 0.00 0.00 52.55 52.92 3mec s ASP 76 Cb -0.14 -2.51 0.35 0.00 -1.45 0.00 0.00 42.92 39.16 3mec s ASP 76 CO 0.06 -1.27 1.05 0.49 0.13 0.00 0.00 175.17 175.62 3mec n PHE 77 N 7.92 0.91 -0.23 -5.34 3.72 -1.26 -4.19 117.46 118.97 3mec n PHE 77 Ca 0.33 -0.34 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3mec n PHE 77 Cb 0.49 -0.29 0.11 0.00 -0.94 0.00 0.00 39.48 38.85 3mec n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mec h ARG 78 N 1.63 0.62 -0.00 -1.08 3.08 -1.88 0.35 114.38 117.10 3mec h ARG 78 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3mec h ARG 78 Cb 1.16 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3mec h ARG 78 CO 0.22 0.41 -0.00 0.93 -1.07 0.00 0.00 179.97 180.46 3mec h GLU 79 N 0.64 0.00 -0.49 0.04 4.39 -1.99 -1.91 114.58 115.26 3mec h GLU 79 Ca 0.32 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.06 3mec h GLU 79 Cb 0.26 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3mec h GLU 79 CO -0.22 0.39 0.25 1.25 -1.16 0.00 0.00 179.01 179.52 3mec h LEU 80 N -0.38 0.36 -1.11 1.33 6.46 -1.83 0.52 115.31 120.67 3mec h LEU 80 Ca 0.00 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3mec h LEU 80 Cb 0.39 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 3mec h LEU 80 CO 0.00 0.25 0.61 0.78 -0.62 0.00 0.00 178.44 179.46 3mec h ASN 81 N 0.49 1.00 0.26 1.25 -0.26 -0.28 0.14 115.58 118.18 3mec h ASN 81 Ca 0.22 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.83 3mec h ASN 81 Cb 0.12 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 3mec h ASN 81 CO -0.15 0.68 -0.47 0.50 -1.06 0.00 0.00 177.43 176.93 3mec h LYS 82 N 1.15 0.25 -0.01 0.81 3.64 -0.40 -1.94 116.57 120.07 3mec h LYS 82 Ca 0.37 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3mec h LYS 82 Cb 0.02 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3mec h LYS 82 CO -0.11 0.67 -0.32 0.54 -2.27 0.00 0.00 179.45 177.96 3mec n ARG 83 N -3.98 0.76 0.00 1.90 1.74 0.06 -3.50 116.66 113.64 3mec n ARG 83 Ca -0.02 -0.47 0.07 0.00 -0.77 0.00 0.00 57.85 56.66 3mec n ARG 83 Cb 0.52 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.52 3mec n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3mec n THR 84 N -0.71 0.00 -0.40 0.55 -2.24 0.41 -1.93 114.28 109.96 3mec n THR 84 Ca 0.11 -0.46 0.33 0.00 -2.27 0.00 0.00 64.05 61.75 3mec n THR 84 Cb 0.36 1.28 0.62 0.00 -2.10 0.00 0.00 70.33 70.48 3mec n THR 84 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3mec h GLN 85 N 2.59 0.17 -0.76 -0.78 4.15 -1.39 0.55 115.11 119.65 3mec h GLN 85 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 3mec h GLN 85 Cb 0.59 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 3mec h GLN 85 CO 0.00 0.11 0.50 0.22 -1.93 0.00 0.00 178.83 177.73 3mec h ASP 86 N 0.18 0.79 0.07 -0.69 3.58 -1.88 -2.38 116.42 116.09 3mec h ASP 86 Ca 0.73 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 58.17 3mec h ASP 86 Cb 2.24 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 43.11 3mec h ASP 86 CO -0.34 0.54 -0.03 0.15 -2.88 0.00 0.00 179.24 176.68 3mec h PHE 87 N 0.92 -0.09 -0.00 0.28 3.57 -0.16 -2.63 116.94 118.82 3mec h PHE 87 Ca 0.30 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3mec h PHE 87 Cb 0.06 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3mec h PHE 87 CO -0.00 0.42 -0.16 -2.67 -2.23 0.00 0.00 178.31 173.67 3mec n TRP 88 N -4.88 0.00 -0.07 0.41 4.27 -1.21 -3.79 117.44 112.17 3mec n TRP 88 Ca -0.08 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.44 3mec n TRP 88 Cb 0.28 -0.38 -0.10 0.00 -1.36 0.00 0.00 31.31 29.75 3mec n TRP 88 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 3mec n GLU 89 N -1.42 1.41 -1.01 -2.67 2.13 -0.90 -4.45 120.64 113.72 3mec n GLU 89 Ca 0.08 0.03 0.01 0.00 0.66 0.00 0.00 57.16 57.93 3mec n GLU 89 Cb 0.33 -1.34 -0.00 0.00 0.27 0.00 0.00 31.44 30.70 3mec n GLU 89 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3mec n VAL 90 N -2.64 0.00 0.00 6.31 0.24 -0.99 -4.72 118.33 116.52 3mec n VAL 90 Ca -0.24 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3mec n VAL 90 Cb 0.89 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3mec n VAL 90 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3mec n GLN 91 N 0.22 0.00 0.00 7.34 0.00 -1.23 -4.99 117.38 118.72 3mec n GLN 91 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 3mec n GLN 91 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.12 3mec n GLN 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3mec n LEU 92 N -1.17 0.00 0.00 1.69 7.99 -1.26 -5.14 117.00 119.11 3mec n LEU 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3mec n LEU 92 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3mec n LEU 92 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 3mec n GLY 93 N 5.00 4.38 3.26 -0.72 0.00 -1.26 -4.29 105.19 111.55 3mec n GLY 93 Ca 0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 3mec n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mec s ILE 94 N -2.00 3.31 0.29 -0.61 1.01 -1.26 -5.05 121.20 116.89 3mec s ILE 94 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 3mec s ILE 94 Cb 0.00 -2.69 -0.11 0.00 0.01 0.00 0.00 42.46 39.67 3mec s ILE 94 CO 0.00 0.15 1.53 -2.84 0.00 0.00 0.00 174.94 173.78 3mec s PRO 95 N 1.39 4.17 -0.23 2.79 0.02 -1.26 -4.99 135.00 136.89 3mec s PRO 95 Ca 0.01 2.49 -0.16 0.00 0.02 0.00 0.00 61.00 63.36 3mec s PRO 95 Cb -0.17 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3mec s PRO 95 CO -0.02 -0.55 0.43 -1.58 -0.33 0.00 0.00 177.00 174.95 3mec s HIS 96 N -0.20 3.33 -0.06 6.54 2.46 -1.26 -4.93 115.29 121.17 3mec s HIS 96 Ca 0.60 0.59 -0.30 0.00 0.47 0.00 0.00 55.06 56.43 3mec s HIS 96 Cb -0.46 -2.59 -0.03 0.00 -0.13 0.00 0.00 32.58 29.38 3mec s HIS 96 CO 0.49 -0.12 1.14 -1.25 -2.47 0.00 0.00 174.74 172.53 3mec s PRO 97 N 1.69 4.39 0.52 2.88 0.04 -1.26 -4.94 135.00 138.31 3mec s PRO 97 Ca 0.19 1.59 0.30 0.00 0.04 0.00 0.00 61.00 63.12 3mec s PRO 97 Cb -0.15 -3.53 1.34 0.00 0.04 0.00 0.00 34.50 32.20 3mec s PRO 97 CO 0.09 -0.38 1.99 0.00 0.04 0.00 0.00 177.00 178.74 3mec h ALA 98 N 7.28 1.09 0.00 8.56 0.00 -1.94 -3.10 119.26 131.15 3mec h ALA 98 Ca -0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3mec h ALA 98 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3mec h ALA 98 CO 0.86 0.14 -0.29 0.78 0.00 0.00 0.00 179.25 180.74 3mec h GLY 99 N 1.51 0.00 0.31 0.00 0.00 -1.96 -3.31 103.07 99.61 3mec h GLY 99 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3mec h GLY 99 CO 0.01 0.00 0.13 -2.00 0.00 0.00 0.00 176.54 174.68 3mec h LEU 100 N 0.00 0.04 -0.22 3.11 5.85 -1.85 -1.10 115.31 121.13 3mec h LEU 100 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3mec h LEU 100 Cb 0.64 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3mec h LEU 100 CO 0.04 0.04 0.00 2.29 -0.34 0.00 0.00 178.44 180.47 3mec n LYS 101 N -5.10 0.06 0.00 1.25 2.85 -1.25 -2.48 118.16 113.49 3mec n LYS 101 Ca 0.07 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.76 3mec n LYS 101 Cb 0.27 -1.61 0.17 0.00 -0.65 0.00 0.00 35.03 33.21 3mec n LYS 101 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3mec n LYS 102 N -1.72 0.29 -1.98 -1.58 5.02 -0.42 -4.31 118.16 113.46 3mec n LYS 102 Ca 0.03 -0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 55.80 3mec n LYS 102 Cb 0.17 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3mec n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mec s LYS 103 N -2.85 3.27 0.20 1.97 -0.14 -1.04 -4.83 119.74 116.33 3mec s LYS 103 Ca 0.14 1.17 -0.06 0.00 -1.36 0.00 0.00 55.97 55.86 3mec s LYS 103 Cb 0.18 -2.03 0.13 0.00 -1.68 0.00 0.00 37.83 34.43 3mec s LYS 103 CO 0.69 -0.85 1.59 0.87 -0.76 0.00 0.00 175.35 176.90 3mec h LYS 104 N 0.28 0.81 -3.71 1.68 1.79 -1.71 -3.35 116.57 112.36 3mec h LYS 104 Ca -0.46 -0.35 -0.32 0.00 -2.18 0.00 0.00 60.65 57.34 3mec h LYS 104 Cb 1.22 -0.03 -0.33 0.00 -1.58 0.00 0.00 32.23 31.51 3mec h LYS 104 CO 0.57 0.98 -0.74 -1.12 -1.08 0.00 0.00 179.45 178.06 3mec s SER 105 N -6.77 0.28 -0.13 0.86 0.01 -0.83 -4.27 113.70 102.85 3mec s SER 105 Ca -0.10 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.18 3mec s SER 105 Cb 0.13 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.23 3mec s SER 105 CO 0.85 -0.08 -0.21 -0.69 0.41 0.00 0.00 173.24 173.52 3mec s VAL 106 N 0.81 1.92 -0.08 3.43 1.01 0.13 -1.60 120.40 126.02 3mec s VAL 106 Ca -0.08 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3mec s VAL 106 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3mec s VAL 106 CO -0.02 0.52 0.04 -0.89 0.00 0.00 0.00 175.10 174.76 3mec s THR 107 N 0.80 4.64 -0.25 3.92 2.01 0.13 0.20 115.64 127.09 3mec s THR 107 Ca -0.08 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 3mec s THR 107 Cb -0.16 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3mec s THR 107 CO -0.01 0.58 0.05 -0.69 -0.69 0.00 0.00 174.62 173.86 3mec s VAL 108 N -0.96 4.06 -0.13 3.82 1.01 -0.94 -0.56 120.40 126.70 3mec s VAL 108 Ca 0.15 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3mec s VAL 108 Cb -0.12 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3mec s VAL 108 CO 0.04 0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.51 3mec s LEU 109 N 1.57 2.21 -0.16 3.92 1.43 0.44 -3.77 118.68 124.32 3mec s LEU 109 Ca 0.06 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3mec s LEU 109 Cb -0.15 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3mec s LEU 109 CO 0.02 0.11 1.06 -0.62 0.23 0.00 0.00 176.35 177.15 3mec s ASP 110 N 0.65 7.14 -0.12 2.29 2.15 -1.26 0.09 116.67 127.61 3mec s ASP 110 Ca -0.10 1.51 0.17 0.00 0.43 0.00 0.00 52.55 54.55 3mec s ASP 110 Cb -0.16 -2.55 0.27 0.00 -0.30 0.00 0.00 42.92 40.18 3mec s ASP 110 CO 0.02 -0.58 1.14 1.33 -0.17 0.00 0.00 175.17 176.91 3mec n VAL 111 N 4.96 1.71 -0.13 1.11 0.24 0.57 -4.80 118.33 121.99 3mec n VAL 111 Ca 0.11 -2.09 0.18 0.00 -2.04 0.00 0.00 64.34 60.49 3mec n VAL 111 Cb 0.47 -0.16 0.57 0.00 -1.47 0.00 0.00 33.84 33.25 3mec n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3mec h GLY 112 N 0.06 0.48 1.12 7.63 0.00 -1.84 -1.37 103.07 109.15 3mec h GLY 112 Ca -0.00 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.31 3mec h GLY 112 CO 0.00 0.04 0.34 -0.55 0.00 0.00 0.00 176.54 176.37 3mec h ASP 113 N 0.28 0.00 -0.04 0.19 5.19 -1.89 -2.16 116.42 117.99 3mec h ASP 113 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 3mec h ASP 113 Cb 0.97 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 3mec h ASP 113 CO -0.08 0.00 0.03 0.00 -3.12 0.00 0.00 179.24 176.07 3mec h ALA 114 N 1.65 1.97 0.00 3.45 0.00 -1.46 -2.58 119.26 122.29 3mec h ALA 114 Ca 0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3mec h ALA 114 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3mec h ALA 114 CO -0.00 0.03 -0.36 1.88 0.00 0.00 0.00 179.25 180.80 3mec h TYR 115 N 0.06 0.00 0.00 0.00 0.99 -1.60 -3.19 116.97 113.23 3mec h TYR 115 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3mec h TYR 115 Cb -0.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.72 3mec h TYR 115 CO -0.00 0.36 0.00 1.19 -0.00 0.00 0.00 178.16 179.71 3mec n PHE 116 N -3.34 0.52 0.41 4.88 3.01 -0.97 -1.75 117.46 120.21 3mec n PHE 116 Ca 0.01 0.25 0.10 0.00 1.01 0.00 0.00 57.45 58.83 3mec n PHE 116 Cb 0.58 -0.91 0.16 0.00 -0.01 0.00 0.00 39.48 39.31 3mec n PHE 116 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3mec n SER 117 N -2.02 3.13 -4.23 4.37 3.41 -1.20 -4.89 113.62 112.19 3mec n SER 117 Ca -0.00 -1.92 -0.32 0.00 -0.26 0.00 0.00 58.87 56.36 3mec n SER 117 Cb 0.06 -0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 63.68 3mec n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mec s VAL 118 N -1.46 2.21 0.41 -3.33 1.01 -0.72 -5.08 120.40 113.45 3mec s VAL 118 Ca 0.32 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 3mec s VAL 118 Cb 0.19 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 3mec s VAL 118 CO 0.28 0.55 1.39 -2.84 0.00 0.00 0.00 175.10 174.47 3mec s PRO 119 N 0.50 3.95 0.01 2.72 0.02 -1.26 -1.30 135.00 139.63 3mec s PRO 119 Ca -0.14 2.34 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 3mec s PRO 119 Cb -0.17 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 3mec s PRO 119 CO 0.05 -0.58 0.36 -1.17 -0.33 0.00 0.00 177.00 175.33 3mec s LEU 120 N -2.38 4.42 -0.19 -5.54 2.96 0.13 -4.51 118.68 113.56 3mec s LEU 120 Ca 0.56 0.82 -0.40 0.00 -0.22 0.00 0.00 54.13 54.90 3mec s LEU 120 Cb -0.42 -2.63 -0.16 0.00 0.50 0.00 0.00 46.19 43.48 3mec s LEU 120 CO 0.55 0.29 1.63 -0.67 -1.32 0.00 0.00 176.35 176.83 3mec n ASP 121 N 1.53 2.13 -0.25 3.68 2.03 -1.26 -4.80 116.55 119.61 3mec n ASP 121 Ca -0.13 1.09 0.18 0.00 0.52 0.00 0.00 54.79 56.45 3mec n ASP 121 Cb 0.53 -1.14 0.49 0.00 -0.72 0.00 0.00 41.12 40.28 3mec n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3mec h GLU 122 N 6.43 0.44 0.00 -0.67 4.57 -1.94 0.17 114.58 123.57 3mec h GLU 122 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3mec h GLU 122 Cb 1.33 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3mec h GLU 122 CO 0.91 0.29 -0.06 -0.25 -1.18 0.00 0.00 179.01 178.73 3mec n ASP 123 N -4.53 0.06 0.01 1.04 10.43 -1.26 -3.41 116.55 118.89 3mec n ASP 123 Ca 0.19 0.42 0.11 0.00 2.57 0.00 0.00 54.79 58.08 3mec n ASP 123 Cb 0.66 -0.42 -0.11 0.00 1.84 0.00 0.00 41.12 43.09 3mec n ASP 123 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3mec n PHE 124 N -1.50 0.11 -0.35 1.24 7.35 0.56 -4.55 117.46 120.32 3mec n PHE 124 Ca 0.07 0.03 0.09 0.00 -0.76 0.00 0.00 57.45 56.88 3mec n PHE 124 Cb 0.34 -0.39 0.27 0.00 0.35 0.00 0.00 39.48 40.05 3mec n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3mec h ARG 125 N 0.00 0.90 0.00 -4.13 3.08 -1.50 -2.13 114.38 110.59 3mec h ARG 125 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3mec h ARG 125 Cb 0.83 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3mec h ARG 125 CO 0.00 0.59 -0.08 1.57 -1.07 0.00 0.00 179.97 180.98 3mec h LYS 126 N 0.92 0.00 0.00 0.04 2.10 -1.81 -0.56 116.57 117.26 3mec h LYS 126 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 3mec h LYS 126 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3mec h LYS 126 CO -0.28 0.08 0.00 0.66 -2.00 0.00 0.00 179.45 177.91 3mec n TYR 127 N -3.80 0.00 -0.62 0.07 4.01 -0.80 -2.82 117.16 113.20 3mec n TYR 127 Ca -0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.80 3mec n TYR 127 Cb 0.18 -0.35 0.30 0.00 -0.31 0.00 0.00 39.34 39.16 3mec n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3mec n THR 128 N -1.35 1.79 -1.76 -0.72 -2.24 -0.22 -4.64 114.28 105.15 3mec n THR 128 Ca 0.08 -1.31 -0.41 0.00 -2.27 0.00 0.00 64.05 60.13 3mec n THR 128 Cb 0.18 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 3mec n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mec n ALA 129 N 0.63 2.35 -2.28 6.98 0.00 -1.13 -4.32 120.51 122.75 3mec n ALA 129 Ca 0.22 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 3mec n ALA 129 Cb 0.81 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.74 3mec n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mec s PHE 130 N -0.74 0.86 -0.06 0.00 -0.71 -0.55 -1.22 117.98 115.56 3mec s PHE 130 Ca 0.57 -1.19 0.01 0.00 -1.04 0.00 0.00 56.93 55.28 3mec s PHE 130 Cb -0.49 -0.42 0.02 0.00 -1.21 0.00 0.00 43.02 40.92 3mec s PHE 130 CO 0.59 -0.60 -0.08 0.99 -1.34 0.00 0.00 175.22 174.78 3mec s THR 131 N -4.07 0.87 -0.31 -4.49 2.01 -1.26 -1.92 115.64 106.48 3mec s THR 131 Ca 0.27 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.77 3mec s THR 131 Cb 0.06 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 3mec s THR 131 CO 0.05 0.30 0.61 -0.63 -0.69 0.00 0.00 174.62 174.26 3mec s ILE 132 N 0.90 4.95 0.76 1.82 1.01 0.42 -4.65 121.20 126.42 3mec s ILE 132 Ca -0.11 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 61.21 3mec s ILE 132 Cb -0.15 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.38 3mec s ILE 132 CO 0.01 -0.15 1.12 -2.16 0.00 0.00 0.00 174.94 173.76 3mec s PRO 133 N 2.58 2.36 0.15 2.79 0.04 -1.26 -0.68 135.00 140.99 3mec s PRO 133 Ca 0.24 0.40 0.11 0.00 0.04 0.00 0.00 61.00 61.80 3mec s PRO 133 Cb -0.15 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3mec s PRO 133 CO 0.12 -1.37 -0.25 -1.54 0.04 0.00 0.00 177.00 174.00 3mec s SER 134 N -4.29 3.28 0.27 6.66 1.04 -1.26 -4.87 113.70 114.53 3mec s SER 134 Ca 0.60 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 3mec s SER 134 Cb -0.12 -0.22 -0.11 0.00 0.10 0.00 0.00 66.02 65.67 3mec s SER 134 CO 0.52 0.14 1.57 -0.63 0.98 0.00 0.00 173.24 175.83 3mec s ILE 135 N -1.30 2.19 -1.30 -1.02 1.01 -1.26 -2.30 121.20 117.22 3mec s ILE 135 Ca 0.16 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3mec s ILE 135 Cb -0.09 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.28 3mec s ILE 135 CO 0.07 0.02 0.00 -3.20 0.00 0.00 0.00 174.94 171.84 3mec n ASN 136 N 2.39 -5.45 -3.33 3.58 5.15 -1.26 -2.72 115.26 113.62 3mec n ASN 136 Ca 0.09 0.30 -0.24 0.00 -0.60 0.00 0.00 54.58 54.13 3mec n ASN 136 Cb 0.38 -4.03 0.03 0.00 -0.53 0.00 0.00 39.78 35.63 3mec n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3mec n ASN 137 N -1.02 -5.28 0.11 1.20 4.13 -0.97 -4.87 115.26 108.56 3mec n ASN 137 Ca -0.12 -0.43 0.01 0.00 1.68 0.00 0.00 54.58 55.72 3mec n ASN 137 Cb 0.56 -4.26 -0.01 0.00 -1.54 0.00 0.00 39.78 34.53 3mec n ASN 137 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3mec h GLU 138 N -1.55 0.00 -5.06 3.52 5.08 -1.73 -3.46 114.58 111.39 3mec h GLU 138 Ca -0.52 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.50 3mec h GLU 138 Cb 1.35 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 3mec h GLU 138 CO 0.58 0.54 -0.68 0.95 -1.00 0.00 0.00 179.01 179.39 3mec s THR 139 N -2.92 1.07 0.43 1.13 -4.23 -1.26 -5.13 115.64 104.74 3mec s THR 139 Ca 0.02 -2.04 -0.24 0.00 -1.18 0.00 0.00 61.69 58.25 3mec s THR 139 Cb 0.08 -2.10 -0.08 0.00 1.34 0.00 0.00 72.50 71.74 3mec s THR 139 CO 0.77 -0.53 1.21 -2.84 -0.54 0.00 0.00 174.62 172.68 3mec s PRO 140 N -3.81 3.87 0.71 3.99 0.02 -1.26 -4.58 135.00 133.95 3mec s PRO 140 Ca 0.23 1.91 -0.16 0.00 0.02 0.00 0.00 61.00 62.99 3mec s PRO 140 Cb 0.04 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 3mec s PRO 140 CO 0.05 -0.50 0.76 0.41 -0.33 0.00 0.00 177.00 177.39 3mec n GLY 141 N 0.58 -0.96 3.70 0.52 0.00 -1.26 -4.84 105.19 102.93 3mec n GLY 141 Ca 0.06 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3mec n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mec s ILE 142 N -1.86 5.03 -0.10 -0.61 1.01 0.15 -4.88 121.20 119.94 3mec s ILE 142 Ca 0.70 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.75 3mec s ILE 142 Cb -0.35 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 3mec s ILE 142 CO 0.54 0.19 -0.17 -0.13 0.00 0.00 0.00 174.94 175.37 3mec s ARG 143 N 1.24 3.07 0.14 2.79 0.52 -1.26 -0.44 118.95 125.01 3mec s ARG 143 Ca 0.35 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 3mec s ARG 143 Cb -0.17 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 3mec s ARG 143 CO 0.15 0.29 -0.03 0.71 0.02 0.00 0.00 175.30 176.44 3mec s TYR 144 N 0.12 1.09 0.30 -0.53 2.02 -0.81 -1.72 117.35 117.82 3mec s TYR 144 Ca -0.08 -0.96 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 3mec s TYR 144 Cb -0.15 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 3mec s TYR 144 CO 0.05 -0.16 0.12 1.14 -1.57 0.00 0.00 175.55 175.14 3mec s GLN 145 N -3.87 1.55 0.04 -0.62 -2.07 -0.69 -1.48 119.66 112.53 3mec s GLN 145 Ca 0.19 -1.87 -0.11 0.00 -1.82 0.00 0.00 55.36 51.74 3mec s GLN 145 Cb 0.05 -0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 31.66 3mec s GLN 145 CO 0.00 -0.37 0.39 0.71 -1.32 0.00 0.00 175.29 174.70 3mec s TYR 146 N -3.61 3.63 -0.35 9.60 1.51 -1.26 -1.62 117.35 125.25 3mec s TYR 146 Ca 0.36 0.84 0.17 0.00 -1.01 0.00 0.00 57.07 57.43 3mec s TYR 146 Cb 0.06 -2.19 -0.24 0.00 -0.11 0.00 0.00 41.96 39.49 3mec s TYR 146 CO 0.16 0.57 0.53 0.09 -1.11 0.00 0.00 175.55 175.79 3mec n ASN 147 N 1.26 0.89 -4.43 2.29 5.03 0.96 -4.67 115.26 116.59 3mec n ASN 147 Ca -0.11 -0.37 -0.21 0.00 0.87 0.00 0.00 54.58 54.76 3mec n ASN 147 Cb 0.52 1.48 -0.10 0.00 -1.02 0.00 0.00 39.78 40.66 3mec n ASN 147 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3mec s VAL 148 N -2.98 1.88 -0.29 2.41 -7.23 -1.21 0.18 120.40 113.17 3mec s VAL 148 Ca -0.01 -2.21 -0.40 0.00 -1.81 0.00 0.00 61.98 57.55 3mec s VAL 148 Cb 0.12 -2.33 -0.16 0.00 0.56 0.00 0.00 36.38 34.57 3mec s VAL 148 CO 0.72 -0.39 1.77 0.18 -0.31 0.00 0.00 175.10 177.08 3mec n LEU 149 N -0.56 2.35 -4.79 1.32 4.77 -0.42 -4.58 117.00 115.10 3mec n LEU 149 Ca -0.06 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.57 3mec n LEU 149 Cb 0.62 -1.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 3mec n LEU 149 CO 0.38 -0.44 0.45 -2.16 -1.33 0.00 0.00 177.39 174.29 3mec s PRO 150 N 3.73 4.49 0.36 3.23 0.04 -1.26 -4.13 135.00 141.45 3mec s PRO 150 Ca 0.99 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 3mec s PRO 150 Cb -1.07 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 30.14 3mec s PRO 150 CO 0.65 0.56 1.51 -0.65 0.04 0.00 0.00 177.00 179.12 3mec s GLN 151 N -1.23 4.11 0.00 4.56 -0.21 -1.26 -3.15 119.66 122.48 3mec s GLN 151 Ca 0.35 2.57 0.00 0.00 0.02 0.00 0.00 55.36 58.31 3mec s GLN 151 Cb -0.22 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.81 3mec s GLN 151 CO 0.25 -0.55 0.00 0.41 -2.12 0.00 0.00 175.29 173.27 3mec n GLY 152 N 0.84 2.63 3.69 3.09 0.00 -1.26 -4.73 105.19 109.44 3mec n GLY 152 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3mec n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3mec s TRP 153 N -2.69 3.41 -0.25 1.61 -0.00 -1.19 -4.56 118.94 115.27 3mec s TRP 153 Ca 0.00 0.64 0.25 0.00 -0.00 0.00 0.00 56.10 56.98 3mec s TRP 153 Cb 0.00 -2.49 1.18 0.00 -0.00 0.00 0.00 33.47 32.16 3mec s TRP 153 CO 0.00 0.06 1.74 0.87 -0.00 0.00 0.00 176.95 179.63 3mec h LYS 154 N 7.15 0.00 0.00 5.86 1.57 -1.91 -1.13 116.57 128.10 3mec h LYS 154 Ca -0.38 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 3mec h LYS 154 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3mec h LYS 154 CO 0.73 0.00 -0.34 0.78 -0.57 0.00 0.00 179.45 180.05 3mec h GLY 155 N 1.08 0.00 0.66 3.86 0.00 -1.94 -3.25 103.07 103.49 3mec h GLY 155 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mec h GLY 155 CO 0.00 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.26 3mec h SER 156 N 0.00 -0.10 -0.28 0.19 0.02 -1.48 -0.17 113.55 111.73 3mec h SER 156 Ca -0.00 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 3mec h SER 156 Cb 0.67 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 3mec h SER 156 CO 0.04 0.25 0.02 1.55 -1.14 0.00 0.00 176.83 177.55 3mec h PRO 157 N -0.46 0.59 -0.73 3.45 0.13 -1.73 0.16 132.00 133.41 3mec h PRO 157 Ca -0.01 -0.13 0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3mec h PRO 157 Cb 0.39 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.37 3mec h PRO 157 CO 0.02 0.60 0.42 0.00 -0.23 0.00 0.00 178.00 178.81 3mec h ALA 158 N 1.46 1.00 0.06 -0.56 0.00 -1.51 -1.51 119.26 118.20 3mec h ALA 158 Ca 0.12 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 3mec h ALA 158 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3mec h ALA 158 CO 0.01 0.11 -1.14 0.82 0.00 0.00 0.00 179.25 179.05 3mec h ILE 159 N 0.76 1.59 -0.01 0.00 2.04 -0.43 -3.18 117.51 118.29 3mec h ILE 159 Ca 0.33 -3.23 0.00 0.00 1.00 0.00 0.00 64.86 62.96 3mec h ILE 159 Cb 0.21 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3mec h ILE 159 CO -0.19 0.93 -0.06 0.33 0.00 0.00 0.00 178.15 179.16 3mec n PHE 160 N -3.43 0.00 0.03 1.37 7.35 -0.01 -4.29 117.46 118.49 3mec n PHE 160 Ca -0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.53 3mec n PHE 160 Cb 0.98 -0.10 -0.05 0.00 0.35 0.00 0.00 39.48 40.67 3mec n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3mec h GLN 161 N 0.81 -0.42 -0.85 -4.13 4.15 -1.26 0.04 115.11 113.46 3mec h GLN 161 Ca 0.00 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.58 3mec h GLN 161 Cb 0.30 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.00 3mec h GLN 161 CO 0.00 -0.28 0.45 1.03 -1.93 0.00 0.00 178.83 178.11 3mec h SER 162 N -0.43 0.58 -0.23 -0.69 0.87 -1.82 -0.29 113.55 111.53 3mec h SER 162 Ca 0.08 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3mec h SER 162 Cb 0.55 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3mec h SER 162 CO -0.30 0.27 -0.25 0.28 -0.53 0.00 0.00 176.83 176.30 3mec h SER 163 N 0.67 0.73 -0.47 6.23 0.02 -1.50 -3.12 113.55 116.11 3mec h SER 163 Ca 0.45 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3mec h SER 163 Cb 0.59 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3mec h SER 163 CO -0.33 0.95 -0.02 -0.03 -1.14 0.00 0.00 176.83 176.25 3mec h MET 164 N 0.62 0.90 0.00 3.45 -1.53 0.71 -1.40 114.93 117.68 3mec h MET 164 Ca 0.08 -0.27 -0.08 0.00 -3.44 0.00 0.00 59.70 55.99 3mec h MET 164 Cb 0.74 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 3mec h MET 164 CO 0.06 0.91 -0.40 1.79 0.14 0.00 0.00 176.91 179.41 3mec h THR 165 N 0.83 0.83 -0.37 -0.77 1.35 -1.40 -1.69 112.91 111.69 3mec h THR 165 Ca 0.15 -1.71 -0.09 0.00 -0.55 0.00 0.00 66.41 64.21 3mec h THR 165 Cb 0.53 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 3mec h THR 165 CO 0.03 0.39 -0.12 0.11 -0.25 0.00 0.00 175.52 175.68 3mec h LYS 166 N 0.00 0.73 -0.35 4.72 1.57 -1.39 -0.74 116.57 121.12 3mec h LYS 166 Ca -0.00 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 3mec h LYS 166 Cb 1.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3mec h LYS 166 CO 0.05 0.90 0.06 0.82 -0.57 0.00 0.00 179.45 180.71 3mec h ILE 167 N 0.53 1.18 0.00 1.86 2.04 -1.04 -3.22 117.51 118.85 3mec h ILE 167 Ca 0.09 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3mec h ILE 167 Cb 0.64 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3mec h ILE 167 CO 0.04 0.23 -1.03 0.18 0.00 0.00 0.00 178.15 177.58 3mec n LEU 168 N -4.32 0.66 -0.16 1.44 4.77 -0.65 -4.52 117.00 114.22 3mec n LEU 168 Ca 0.02 -0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 55.81 3mec n LEU 168 Cb 0.20 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3mec n LEU 168 CO 0.38 0.11 0.90 -0.08 -1.33 0.00 0.00 177.39 177.37 3mec h GLU 169 N 0.00 0.21 0.03 3.23 4.22 -1.14 0.16 114.58 121.28 3mec h GLU 169 Ca 0.00 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.44 3mec h GLU 169 Cb 0.65 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3mec h GLU 169 CO 0.00 0.14 -0.13 -1.35 -2.18 0.00 0.00 179.01 175.49 3mec h PRO 170 N 0.22 -0.22 -0.69 0.92 0.11 -1.80 0.85 132.00 131.38 3mec h PRO 170 Ca 0.25 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3mec h PRO 170 Cb 0.34 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3mec h PRO 170 CO -0.33 -0.15 0.26 0.35 -0.21 0.00 0.00 178.00 177.92 3mec h PHE 171 N -0.23 1.05 -0.35 0.65 3.57 -1.69 -0.53 116.94 119.40 3mec h PHE 171 Ca 0.04 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 3mec h PHE 171 Cb 0.27 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3mec h PHE 171 CO -0.17 0.81 -0.19 0.00 -2.23 0.00 0.00 178.31 176.52 3mec h ARG 172 N 1.01 0.75 -0.65 1.11 3.08 -0.40 -1.39 114.38 117.89 3mec h ARG 172 Ca 0.23 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3mec h ARG 172 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3mec h ARG 172 CO -0.02 0.95 0.25 -0.22 -1.07 0.00 0.00 179.97 179.86 3mec h LYS 173 N 0.53 0.96 0.00 0.04 3.64 -0.49 -2.56 116.57 118.68 3mec h LYS 173 Ca 0.08 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3mec h LYS 173 Cb 0.74 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3mec h LYS 173 CO 0.06 0.79 -0.21 1.96 -2.27 0.00 0.00 179.45 179.78 3mec h GLN 174 N 0.94 0.00 -2.48 1.90 4.20 -1.00 -3.37 115.11 115.29 3mec h GLN 174 Ca 0.22 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.33 3mec h GLN 174 Cb 0.20 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.58 3mec h GLN 174 CO -0.02 0.21 -0.87 0.09 -0.67 0.00 0.00 178.83 177.57 3mec n ASN 175 N -3.19 0.81 0.30 1.46 4.13 -0.53 -4.98 115.26 113.25 3mec n ASN 175 Ca 0.02 -2.71 0.20 0.00 1.68 0.00 0.00 54.58 53.77 3mec n ASN 175 Cb 0.56 -0.63 0.95 0.00 -1.54 0.00 0.00 39.78 39.13 3mec n ASN 175 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3mec h PRO 176 N 5.22 0.00 -0.01 3.52 0.13 -1.66 -2.16 132.00 137.04 3mec h PRO 176 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3mec h PRO 176 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3mec h PRO 176 CO 0.51 0.00 -0.11 -0.25 -0.23 0.00 0.00 178.00 177.91 3mec n ASP 177 N -3.00 1.22 -4.75 1.44 8.00 -1.26 -4.84 116.55 113.36 3mec n ASP 177 Ca -0.01 -1.19 -0.37 0.00 0.71 0.00 0.00 54.79 53.92 3mec n ASP 177 Cb 0.16 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3mec n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mec s ILE 178 N -2.23 5.19 -0.21 0.53 1.01 -0.82 -4.71 121.20 119.96 3mec s ILE 178 Ca 0.32 0.79 -0.08 0.00 0.00 0.00 0.00 60.65 61.68 3mec s ILE 178 Cb 0.20 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3mec s ILE 178 CO 0.42 0.41 0.09 -0.69 0.00 0.00 0.00 174.94 175.17 3mec s VAL 179 N 0.14 4.88 -0.12 2.92 1.01 -0.36 -4.94 120.40 123.93 3mec s VAL 179 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3mec s VAL 179 Cb -0.15 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3mec s VAL 179 CO 0.09 0.41 -0.18 -0.63 0.00 0.00 0.00 175.10 174.78 3mec s ILE 180 N 0.78 1.75 -0.02 2.22 1.01 -1.26 0.23 121.20 125.91 3mec s ILE 180 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3mec s ILE 180 Cb -0.13 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 3mec s ILE 180 CO 0.02 0.49 -0.12 -0.47 0.00 0.00 0.00 174.94 174.86 3mec s TYR 181 N 0.91 1.19 -0.16 3.97 5.04 0.07 -4.95 117.35 123.43 3mec s TYR 181 Ca -0.07 -0.28 -0.07 0.00 -2.44 0.00 0.00 57.07 54.21 3mec s TYR 181 Cb -0.15 -0.80 -0.04 0.00 0.35 0.00 0.00 41.96 41.31 3mec s TYR 181 CO -0.02 -0.08 0.08 -1.14 -1.34 0.00 0.00 175.55 173.05 3mec s GLN 182 N -0.04 3.75 -0.11 4.97 0.74 -1.26 0.19 119.66 127.89 3mec s GLN 182 Ca 0.00 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.09 3mec s GLN 182 Cb -0.08 -3.17 0.05 0.00 1.10 0.00 0.00 33.01 30.91 3mec s GLN 182 CO 0.00 0.45 0.14 -0.47 -0.55 0.00 0.00 175.29 174.86 3mec s TYR 183 N -0.12 -0.08 0.00 1.67 5.04 -0.36 -5.01 117.35 118.49 3mec s TYR 183 Ca 0.08 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 3mec s TYR 183 Cb -0.12 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.79 3mec s TYR 183 CO 0.01 -0.36 0.00 -1.33 -1.34 0.00 0.00 175.55 172.53 3mec n MET 184 N 5.31 0.00 0.00 4.97 2.81 -1.26 -1.53 117.12 127.42 3mec n MET 184 Ca -0.05 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.98 3mec n MET 184 Cb 0.50 0.00 0.55 0.00 -0.71 0.00 0.00 33.22 33.56 3mec n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3mec n ASP 185 N 5.90 0.54 -4.61 7.83 9.92 -1.26 -4.62 116.55 130.25 3mec n ASP 185 Ca 0.00 -0.55 -0.30 0.00 -0.53 0.00 0.00 54.79 53.41 3mec n ASP 185 Cb 0.00 -0.04 -0.09 0.00 -0.64 0.00 0.00 41.12 40.34 3mec n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3mec s ASP 186 N -2.54 4.58 -0.16 -2.24 1.01 -0.58 -0.32 116.67 116.42 3mec s ASP 186 Ca 0.26 -0.32 -0.07 0.00 0.71 0.00 0.00 52.55 53.14 3mec s ASP 186 Cb 0.20 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 3mec s ASP 186 CO 0.50 0.18 0.07 -0.22 0.21 0.00 0.00 175.17 175.91 3mec s LEU 187 N -2.20 3.91 -0.18 1.23 2.96 0.11 -1.22 118.68 123.30 3mec s LEU 187 Ca 0.22 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 3mec s LEU 187 Cb -0.11 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3mec s LEU 187 CO 0.15 0.25 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.07 3mec s TYR 188 N -0.07 2.98 -0.19 5.38 1.51 0.13 -0.42 117.35 126.68 3mec s TYR 188 Ca 0.07 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 3mec s TYR 188 Cb -0.12 -2.01 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3mec s TYR 188 CO 0.01 -0.22 -0.11 0.08 -1.11 0.00 0.00 175.55 174.20 3mec s VAL 189 N 0.76 1.64 -0.09 0.71 1.01 0.27 -0.75 120.40 123.96 3mec s VAL 189 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3mec s VAL 189 Cb -0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3mec s VAL 189 CO 0.02 0.24 -0.23 -0.83 0.00 0.00 0.00 175.10 174.30 3mec s GLY 190 N 1.41 1.28 0.22 4.51 0.00 0.13 -0.69 107.32 114.19 3mec s GLY 190 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3mec s GLY 190 CO -0.09 -0.39 0.08 -1.35 0.00 0.00 0.00 173.10 171.36 3mec s SER 191 N 0.22 0.87 0.00 1.64 1.04 -0.63 -1.22 113.70 115.63 3mec s SER 191 Ca -0.14 -1.33 0.21 0.00 0.48 0.00 0.00 55.95 55.16 3mec s SER 191 Cb -0.17 0.22 0.58 0.00 0.10 0.00 0.00 66.02 66.75 3mec s SER 191 CO 0.07 -0.73 1.48 0.47 0.98 0.00 0.00 173.24 175.52 3mec n ASP 192 N -0.35 3.77 -4.68 7.02 8.00 -1.26 -1.89 116.55 127.15 3mec n ASP 192 Ca -0.01 -2.00 -0.32 0.00 0.71 0.00 0.00 54.79 53.18 3mec n ASP 192 Cb 0.65 -0.43 0.15 0.00 -0.02 0.00 0.00 41.12 41.48 3mec n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mec s LEU 193 N -1.04 2.93 0.59 0.64 1.43 -1.26 -4.85 118.68 117.11 3mec s LEU 193 Ca 0.44 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.57 3mec s LEU 193 Cb 0.23 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3mec s LEU 193 CO 0.31 -2.95 1.23 -1.83 0.23 0.00 0.00 176.35 173.34 3mec s GLU 194 N -4.54 2.97 0.42 1.70 4.04 -1.26 -4.63 118.70 117.40 3mec s GLU 194 Ca 0.68 1.89 0.11 0.00 0.04 0.00 0.00 54.97 57.69 3mec s GLU 194 Cb -0.24 -1.97 0.96 0.00 0.02 0.00 0.00 34.13 32.90 3mec s GLU 194 CO 0.56 -1.22 2.01 0.97 -1.84 0.00 0.00 175.26 175.75 3mec h ILE 195 N 0.94 0.98 -0.28 1.83 6.09 -1.98 0.27 117.51 125.37 3mec h ILE 195 Ca -0.51 -0.16 -0.06 0.00 -1.37 0.00 0.00 64.86 62.77 3mec h ILE 195 Cb 1.30 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 3mec h ILE 195 CO 0.55 0.09 -0.05 1.23 -3.07 0.00 0.00 178.15 176.90 3mec h GLY 196 N 0.47 0.56 1.88 8.18 0.00 -2.00 -1.27 103.07 110.89 3mec h GLY 196 Ca 0.22 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3mec h GLY 196 CO -0.06 0.41 -0.28 1.46 0.00 0.00 0.00 176.54 178.07 3mec h GLN 197 N 0.28 0.15 -0.18 4.80 4.20 -1.16 -1.77 115.11 121.44 3mec h GLN 197 Ca 0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3mec h GLN 197 Cb 0.51 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3mec h GLN 197 CO 0.02 0.42 -0.03 1.25 -0.67 0.00 0.00 178.83 179.83 3mec h HIS 198 N 0.13 0.37 -0.59 2.96 2.76 -0.41 -1.97 115.15 118.41 3mec h HIS 198 Ca 0.02 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 3mec h HIS 198 Cb 0.57 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 3mec h HIS 198 CO 0.01 0.58 0.16 0.00 -1.30 0.00 0.00 177.93 177.37 3mec h ARG 199 N 0.05 0.91 -0.92 5.26 3.08 -1.02 -1.06 114.38 120.68 3mec h ARG 199 Ca 0.05 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3mec h ARG 199 Cb 0.45 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3mec h ARG 199 CO 0.01 0.80 0.52 1.15 -1.07 0.00 0.00 179.97 181.39 3mec h THR 200 N 0.87 1.26 -0.08 2.04 2.02 -1.19 -1.27 112.91 116.56 3mec h THR 200 Ca 0.19 -0.61 -0.12 0.00 0.77 0.00 0.00 66.41 66.64 3mec h THR 200 Cb 0.30 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3mec h THR 200 CO -0.00 0.28 -0.50 0.11 0.37 0.00 0.00 175.52 175.78 3mec h LYS 201 N 1.28 0.20 -0.41 6.66 1.79 -0.68 -1.58 116.57 123.83 3mec h LYS 201 Ca 0.33 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 3mec h LYS 201 Cb -0.01 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3mec h LYS 201 CO -0.06 0.66 0.12 0.82 -1.08 0.00 0.00 179.45 179.92 3mec h ILE 202 N 0.16 1.22 -0.44 1.86 1.08 -0.35 0.26 117.51 121.30 3mec h ILE 202 Ca 0.01 -0.73 0.06 0.00 -0.39 0.00 0.00 64.86 63.81 3mec h ILE 202 Cb 0.94 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 3mec h ILE 202 CO 0.08 0.26 0.13 -0.08 -0.69 0.00 0.00 178.15 177.84 3mec h GLU 203 N 0.51 0.27 -0.56 2.37 4.22 -1.10 0.24 114.58 120.54 3mec h GLU 203 Ca 0.13 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.62 3mec h GLU 203 Cb 0.27 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3mec h GLU 203 CO -0.00 0.18 0.26 1.49 -2.18 0.00 0.00 179.01 178.76 3mec h GLU 204 N 0.28 0.48 -0.63 1.92 4.81 -0.94 -1.21 114.58 119.29 3mec h GLU 204 Ca 0.21 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3mec h GLU 204 Cb 0.24 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3mec h GLU 204 CO -0.24 0.32 0.12 1.25 -0.73 0.00 0.00 179.01 179.73 3mec h LEU 205 N 0.50 0.99 -1.36 1.64 6.46 -0.07 -2.26 115.31 121.21 3mec h LEU 205 Ca 0.26 -0.25 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 3mec h LEU 205 Cb 0.22 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 3mec h LEU 205 CO -0.21 0.99 0.51 0.03 -0.62 0.00 0.00 178.44 179.14 3mec h ARG 206 N 0.95 0.69 -0.51 1.25 3.08 0.57 -1.65 114.38 118.77 3mec h ARG 206 Ca 0.20 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 3mec h ARG 206 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3mec h ARG 206 CO 0.01 0.46 -0.16 1.96 -1.07 0.00 0.00 179.97 181.17 3mec h GLN 207 N 0.71 1.01 -0.02 0.04 1.08 -0.68 0.10 115.11 117.36 3mec h GLN 207 Ca 0.36 -0.41 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3mec h GLN 207 Cb 0.46 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3mec h GLN 207 CO -0.14 1.09 -0.05 0.45 -0.95 0.00 0.00 178.83 179.23 3mec h HIS 208 N 0.88 -0.13 -0.50 2.96 3.86 -1.27 -2.84 115.15 118.12 3mec h HIS 208 Ca 0.13 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.44 3mec h HIS 208 Cb 0.74 0.06 -0.08 0.00 1.06 0.00 0.00 27.41 29.18 3mec h HIS 208 CO 0.05 -0.08 0.01 -0.07 0.86 0.00 0.00 177.93 178.70 3mec h LEU 209 N -0.08 -0.19 -2.09 2.43 4.07 -1.00 -1.67 115.31 116.78 3mec h LEU 209 Ca 0.03 0.12 0.08 0.00 0.08 0.00 0.00 57.88 58.19 3mec h LEU 209 Cb 0.12 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 3mec h LEU 209 CO -0.07 -0.06 0.24 0.25 -1.08 0.00 0.00 178.44 177.72 3mec h LEU 210 N 0.13 0.00 -0.62 1.67 5.85 -0.56 -0.35 115.31 121.43 3mec h LEU 210 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3mec h LEU 210 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3mec h LEU 210 CO -0.41 0.00 0.00 0.03 -0.34 0.00 0.00 178.44 177.72 3mec h ARG 211 N 0.00 0.00 -0.08 1.25 -0.00 -1.20 -3.08 114.38 111.26 3mec h ARG 211 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 3mec h ARG 211 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 3mec h ARG 211 CO -0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.97 180.88 3mec n TRP 212 N -2.52 0.10 0.00 3.04 7.02 -0.17 -5.00 117.44 119.91 3mec n TRP 212 Ca 0.03 -0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 3mec n TRP 212 Cb 0.33 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 3mec n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mec n GLY 213 N 0.58 0.89 2.76 6.99 0.00 -1.06 -4.99 105.19 110.36 3mec n GLY 213 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3mec n GLY 213 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mec s LEU 214 N 0.00 1.77 -0.63 0.99 1.98 -1.13 -4.44 118.68 117.22 3mec s LEU 214 Ca 0.00 -1.21 -0.07 0.00 -2.89 0.00 0.00 54.13 49.96 3mec s LEU 214 Cb 0.00 -0.77 -0.17 0.00 0.66 0.00 0.00 46.19 45.91 3mec s LEU 214 CO 0.00 -0.34 3.30 0.35 -1.89 0.00 0.00 176.35 177.76 3mec n THR 215 N 4.92 3.56 -4.35 3.68 -2.24 -1.26 -3.18 114.28 115.41 3mec n THR 215 Ca -0.06 -2.09 -0.25 0.00 -2.27 0.00 0.00 64.05 59.38 3mec n THR 215 Cb 0.45 -2.18 -0.09 0.00 -2.10 0.00 0.00 70.33 66.41 3mec n THR 215 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3mec s TYR 232 N 1.11 2.54 -0.13 4.78 -0.00 -1.25 -4.93 117.35 119.47 3mec s TYR 232 Ca 0.67 -0.45 0.02 0.00 -0.00 0.00 0.00 57.07 57.31 3mec s TYR 232 Cb 0.27 -1.50 -0.00 0.00 -0.00 0.00 0.00 41.96 40.73 3mec s TYR 232 CO -0.04 0.48 -0.18 -1.21 -0.00 0.00 0.00 175.55 174.60 3mec s GLU 233 N -3.71 3.20 0.10 -3.49 2.02 -1.26 -2.20 118.70 113.35 3mec s GLU 233 Ca 0.35 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.58 3mec s GLU 233 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 3mec s GLU 233 CO 0.19 0.13 0.12 -0.51 0.02 0.00 0.00 175.26 175.21 3mec s LEU 234 N 0.51 3.92 -0.50 1.80 1.02 0.13 -4.96 118.68 120.60 3mec s LEU 234 Ca -0.12 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.09 3mec s LEU 234 Cb -0.16 -2.57 0.16 0.00 0.02 0.00 0.00 46.19 43.63 3mec s LEU 234 CO 0.05 0.15 0.35 -1.00 0.02 0.00 0.00 176.35 175.91 3mec s HIS 235 N -1.50 2.09 0.64 0.29 3.76 -1.26 -0.70 115.29 118.62 3mec s HIS 235 Ca 0.31 -2.63 0.38 0.00 -0.15 0.00 0.00 55.06 52.98 3mec s HIS 235 Cb -0.12 -1.76 2.15 0.00 1.11 0.00 0.00 32.58 33.96 3mec s HIS 235 CO 0.24 -0.73 2.28 -1.35 -0.85 0.00 0.00 174.74 174.32 3mec h PRO 236 N 5.99 0.00 0.28 8.40 0.11 -1.74 -0.36 132.00 144.67 3mec h PRO 236 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3mec h PRO 236 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mec h PRO 236 CO 0.50 0.00 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.72 3mec h ASP 237 N 0.00 -0.32 0.00 -2.05 3.45 -1.75 -2.83 116.42 112.92 3mec h ASP 237 Ca 0.01 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3mec h ASP 237 Cb 0.11 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3mec h ASP 237 CO -0.00 -0.06 0.00 0.29 -1.57 0.00 0.00 179.24 177.90 3mec n LYS 238 N -5.16 0.14 -3.10 3.56 4.76 -0.15 -4.29 118.16 113.92 3mec n LYS 238 Ca -0.10 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.92 3mec n LYS 238 Cb 0.23 -1.07 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 3mec n LYS 238 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3mec s TRP 239 N -2.00 3.08 0.19 2.13 0.51 -1.07 -5.05 118.94 116.74 3mec s TRP 239 Ca 0.01 0.07 0.08 0.00 -2.12 0.00 0.00 56.10 54.15 3mec s TRP 239 Cb 0.00 -3.31 -0.04 0.00 -0.81 0.00 0.00 33.47 29.31 3mec s TRP 239 CO 0.01 -0.81 -0.16 0.95 -0.51 0.00 0.00 176.95 176.43 3mec s THR 240 N 2.82 1.79 0.61 2.01 -4.23 -1.26 -5.05 115.64 112.33 3mec s THR 240 Ca 0.24 -2.08 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 3mec s THR 240 Cb -0.14 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 3mec s THR 240 CO 0.18 -0.46 1.13 1.33 -0.54 0.00 0.00 174.62 176.26 3mec n VAL 241 N -0.08 4.16 -3.36 2.29 0.24 -1.26 -4.88 118.33 115.44 3mec n VAL 241 Ca -0.10 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.34 61.24 3mec n VAL 241 Cb 0.59 -1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 31.59 3mec n VAL 241 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3mec s GLN 242 N -2.98 3.37 0.63 7.34 2.00 -1.07 -4.97 119.66 123.98 3mec s GLN 242 Ca 0.78 -2.28 -0.18 0.00 -2.00 0.00 0.00 55.36 51.68 3mec s GLN 242 Cb -0.41 -4.34 -0.02 0.00 0.80 0.00 0.00 33.01 29.05 3mec s GLN 242 CO 0.45 -1.29 1.23 -1.25 -0.50 0.00 0.00 175.29 173.93 3mec s PRO 243 N 0.50 2.72 0.15 1.67 0.04 -1.26 -4.60 135.00 134.21 3mec s PRO 243 Ca 0.14 1.87 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 3mec s PRO 243 Cb -0.16 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3mec s PRO 243 CO -0.06 -1.41 1.75 -0.89 0.04 0.00 0.00 177.00 176.43 3mec n ILE 244 N -1.87 0.18 -4.46 0.56 -0.00 -1.26 -4.98 119.36 107.53 3mec n ILE 244 Ca 0.14 -0.03 -0.35 0.00 -0.00 0.00 0.00 62.75 62.51 3mec n ILE 244 Cb 0.49 -1.95 -0.10 0.00 -0.00 0.00 0.00 39.64 38.08 3mec n ILE 244 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 3mec s VAL 245 N 1.92 4.09 -0.25 1.39 -7.23 -1.26 -4.88 120.40 114.18 3mec s VAL 245 Ca 0.80 -0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 60.55 3mec s VAL 245 Cb -0.54 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 3mec s VAL 245 CO 0.36 0.60 0.10 -0.76 -0.31 0.00 0.00 175.10 175.09 3mec s LEU 246 N -0.81 3.60 0.49 1.32 1.43 -1.26 -5.04 118.68 118.41 3mec s LEU 246 Ca 0.12 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 52.85 3mec s LEU 246 Cb -0.11 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 3mec s LEU 246 CO 0.02 -0.03 1.37 -0.81 0.23 0.00 0.00 176.35 177.13 3mec n PRO 247 N 4.87 1.92 -3.62 1.29 -0.04 -1.26 -5.00 135.00 133.17 3mec n PRO 247 Ca -0.16 0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 63.62 3mec n PRO 247 Cb 0.52 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 3mec n PRO 247 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3mec s GLU 248 N -2.62 3.77 -0.01 0.54 -1.05 -1.26 -5.10 118.70 112.97 3mec s GLU 248 Ca 0.66 0.25 -0.03 0.00 -0.15 0.00 0.00 54.97 55.70 3mec s GLU 248 Cb -0.44 -3.21 -0.00 0.00 -0.44 0.00 0.00 34.13 30.04 3mec s GLU 248 CO 0.54 0.72 0.06 0.21 0.95 0.00 0.00 175.26 177.73 3mec s LYS 249 N -1.07 0.21 0.00 -4.83 2.20 -1.26 -5.06 119.74 109.92 3mec s LYS 249 Ca 0.21 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 3mec s LYS 249 Cb -0.15 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 3mec s LYS 249 CO 0.11 -0.04 0.47 -0.40 -0.36 0.00 0.00 175.35 175.13 3mec n ASP 250 N 2.42 0.00 -4.66 1.43 5.68 -1.26 -4.82 116.55 115.34 3mec n ASP 250 Ca -0.17 0.47 -0.25 0.00 -0.50 0.00 0.00 54.79 54.35 3mec n ASP 250 Cb 0.58 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.47 3mec n ASP 250 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3mec s SER 251 N -2.68 4.24 -0.04 -1.12 1.04 -1.26 -5.09 113.70 108.79 3mec s SER 251 Ca 0.00 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.43 3mec s SER 251 Cb 0.00 -0.52 -0.00 0.00 0.10 0.00 0.00 66.02 65.60 3mec s SER 251 CO 0.00 -0.34 -0.18 0.26 0.98 0.00 0.00 173.24 173.96 3mec s TRP 252 N -2.56 1.76 0.33 5.02 0.52 -1.26 -5.08 118.94 117.67 3mec s TRP 252 Ca 0.37 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 56.00 3mec s TRP 252 Cb 0.02 -1.18 -0.03 0.00 -1.15 0.00 0.00 33.47 31.13 3mec s TRP 252 CO 0.20 -0.17 0.50 0.95 0.02 0.00 0.00 176.95 178.46 3mec s THR 253 N 0.01 5.01 0.20 2.01 -4.23 -1.26 -1.25 115.64 116.13 3mec s THR 253 Ca -0.04 -0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 3mec s THR 253 Cb -0.12 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.09 3mec s THR 253 CO 0.02 -0.46 1.67 0.58 -0.54 0.00 0.00 174.62 175.89 3mec h VAL 254 N 0.84 0.53 -0.63 2.29 2.07 -1.13 0.80 116.25 121.03 3mec h VAL 254 Ca -0.50 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.05 3mec h VAL 254 Cb 1.23 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3mec h VAL 254 CO 0.60 0.02 0.31 -1.13 0.02 0.00 0.00 177.57 177.40 3mec h ASN 255 N 0.12 0.42 -0.64 0.57 -1.24 -1.53 -0.31 115.58 112.96 3mec h ASN 255 Ca 0.30 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.36 3mec h ASN 255 Cb 0.47 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 3mec h ASN 255 CO -0.49 0.26 0.42 0.44 -1.29 0.00 0.00 177.43 176.78 3mec h ASP 256 N 0.57 0.74 -0.14 1.15 3.32 -1.26 -1.82 116.42 118.97 3mec h ASP 256 Ca 0.30 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.12 3mec h ASP 256 Cb 0.26 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3mec h ASP 256 CO -0.23 0.53 -0.69 0.40 -1.72 0.00 0.00 179.24 177.53 3mec h ILE 257 N 0.87 1.29 -0.35 0.35 1.08 0.23 -2.26 117.51 118.71 3mec h ILE 257 Ca 0.23 -1.90 -0.09 0.00 -0.39 0.00 0.00 64.86 62.71 3mec h ILE 257 Cb -0.10 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 3mec h ILE 257 CO -0.05 0.61 -0.13 1.56 -0.69 0.00 0.00 178.15 179.44 3mec h GLN 258 N 0.55 0.71 -0.51 2.37 4.20 -0.72 0.31 115.11 122.02 3mec h GLN 258 Ca -0.03 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.43 3mec h GLN 258 Cb 1.31 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.02 3mec h GLN 258 CO 0.14 0.89 0.27 0.87 -0.67 0.00 0.00 178.83 180.33 3mec h LYS 259 N 0.49 0.51 -0.26 1.46 1.57 -1.40 -1.03 116.57 117.91 3mec h LYS 259 Ca 0.08 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3mec h LYS 259 Cb 0.66 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3mec h LYS 259 CO 0.04 0.34 0.05 1.25 -0.57 0.00 0.00 179.45 180.57 3mec h LEU 260 N 0.53 0.02 -1.01 2.94 6.46 -0.76 -1.31 115.31 122.17 3mec h LEU 260 Ca 0.22 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 3mec h LEU 260 Cb 0.11 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 3mec h LEU 260 CO -0.14 0.04 0.20 0.58 -0.62 0.00 0.00 178.44 178.50 3mec h VAL 261 N 0.15 1.23 -0.17 1.05 2.07 -0.13 -1.92 116.25 118.54 3mec h VAL 261 Ca 0.12 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 3mec h VAL 261 Cb 0.12 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3mec h VAL 261 CO -0.15 0.30 -0.45 1.23 0.02 0.00 0.00 177.57 178.51 3mec h GLY 262 N 1.01 0.46 1.38 2.17 0.00 -0.71 0.15 103.07 107.53 3mec h GLY 262 Ca 0.20 -0.47 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 3mec h GLY 262 CO -0.01 0.43 -0.70 1.70 0.00 0.00 0.00 176.54 177.95 3mec h LYS 263 N 0.34 0.62 -0.17 4.80 3.64 -0.99 -1.94 116.57 122.88 3mec h LYS 263 Ca 0.02 -0.48 -0.21 0.00 -1.27 0.00 0.00 60.65 58.72 3mec h LYS 263 Cb 0.93 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3mec h LYS 263 CO 0.08 1.10 -0.73 -0.07 -2.27 0.00 0.00 179.45 177.56 3mec h LEU 264 N 0.44 0.88 -0.88 5.20 3.38 -1.33 -1.59 115.31 121.41 3mec h LEU 264 Ca -0.03 -0.56 0.12 0.00 0.09 0.00 0.00 57.88 57.50 3mec h LEU 264 Cb 1.30 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 3mec h LEU 264 CO 0.14 1.35 0.51 -1.13 0.09 0.00 0.00 178.44 179.39 3mec h ASN 265 N 0.53 0.71 0.53 -0.43 -1.24 -0.61 0.18 115.58 115.24 3mec h ASN 265 Ca -0.04 0.06 -0.28 0.00 0.71 0.00 0.00 56.30 56.75 3mec h ASN 265 Cb 1.34 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 40.33 3mec h ASN 265 CO 0.15 0.37 -1.26 -0.25 -1.29 0.00 0.00 177.43 175.15 3mec h TRP 266 N 0.80 0.60 -0.17 0.67 7.01 -1.31 -3.04 115.95 120.52 3mec h TRP 266 Ca 0.45 -0.43 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3mec h TRP 266 Cb 0.49 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 3mec h TRP 266 CO -0.05 1.32 0.09 0.00 -2.79 0.00 0.00 178.44 177.01 3mec h ALA 267 N 0.52 1.85 -0.12 2.65 0.00 -0.64 -1.08 119.26 122.44 3mec h ALA 267 Ca -0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3mec h ALA 267 Cb 1.97 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 3mec h ALA 267 CO 0.21 0.13 0.14 1.03 0.00 0.00 0.00 179.25 180.76 3mec h SER 268 N 0.23 0.00 0.85 0.00 0.87 -0.55 0.21 113.55 115.16 3mec h SER 268 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3mec h SER 268 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3mec h SER 268 CO -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 3mec n GLN 269 N -3.83 0.19 -0.00 2.24 1.13 -0.41 -4.16 117.38 112.54 3mec n GLN 269 Ca 0.00 0.37 -0.00 0.00 -1.94 0.00 0.00 57.00 55.43 3mec n GLN 269 Cb 0.24 -1.83 -0.00 0.00 0.11 0.00 0.00 30.24 28.76 3mec n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3mec n ILE 270 N -2.19 0.00 -3.45 5.09 5.41 0.47 -4.92 119.36 119.77 3mec n ILE 270 Ca 0.03 -0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.37 3mec n ILE 270 Cb 0.26 -1.42 -0.10 0.00 -0.71 0.00 0.00 39.64 37.68 3mec n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3mec s TYR 271 N -2.00 3.22 0.15 1.39 2.02 0.37 -4.82 117.35 117.68 3mec s TYR 271 Ca -0.00 -0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.23 3mec s TYR 271 Cb 0.00 -2.60 -0.10 0.00 -0.40 0.00 0.00 41.96 38.87 3mec s TYR 271 CO 0.00 -0.43 1.53 -1.25 -1.57 0.00 0.00 175.55 173.83 3mec s PRO 272 N 1.88 4.24 0.00 -1.71 0.04 -1.26 -3.27 135.00 134.91 3mec s PRO 272 Ca 0.09 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3mec s PRO 272 Cb -0.17 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3mec s PRO 272 CO 0.11 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3mec n GLY 273 N 3.70 1.43 3.74 0.56 0.00 -1.26 -4.99 105.19 108.37 3mec n GLY 273 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3mec n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mec s ILE 274 N -2.11 2.32 -0.02 -0.61 -1.09 -1.20 -4.98 121.20 113.51 3mec s ILE 274 Ca 0.00 0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.72 3mec s ILE 274 Cb 0.00 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3mec s ILE 274 CO 0.00 0.04 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.06 3mec s LYS 275 N -0.03 1.27 0.00 2.79 1.02 -1.26 -4.97 119.74 118.56 3mec s LYS 275 Ca 0.64 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.12 3mec s LYS 275 Cb -0.46 -1.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 3mec s LYS 275 CO 0.42 0.27 0.00 0.28 -0.92 0.00 0.00 175.35 175.41 3mec n VAL 276 N 2.88 0.00 -0.06 3.17 0.31 -1.26 -4.83 118.33 118.54 3mec n VAL 276 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 3mec n VAL 276 Cb 0.54 -0.11 -0.01 0.00 -0.91 0.00 0.00 33.84 33.35 3mec n VAL 276 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3mec n ARG 277 N -1.37 -0.07 0.00 5.55 5.12 -1.26 -0.49 116.66 124.15 3mec n ARG 277 Ca 0.00 0.97 0.02 0.00 -1.93 0.00 0.00 57.85 56.92 3mec n ARG 277 Cb 0.16 -1.45 0.14 0.00 -1.16 0.00 0.00 32.46 30.15 3mec n ARG 277 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3mec n GLN 278 N -3.26 0.78 -0.12 5.56 6.02 -1.26 -2.45 117.38 122.65 3mec n GLN 278 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3mec n GLN 278 Cb 0.04 -1.09 -0.11 0.00 1.02 0.00 0.00 30.24 30.09 3mec n GLN 278 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3mec n LEU 279 N -0.59 2.45 0.00 1.08 7.94 0.36 -3.68 117.00 124.56 3mec n LEU 279 Ca 0.03 0.13 0.12 0.00 -1.11 0.00 0.00 56.01 55.19 3mec n LEU 279 Cb 0.02 -0.90 0.56 0.00 0.53 0.00 0.00 43.42 43.62 3mec n LEU 279 CO 0.03 0.73 0.91 0.00 -1.11 0.00 0.00 177.39 177.95 3mec h LYS 281 N 0.00 0.00 -0.38 0.00 1.57 -1.67 -0.52 116.57 115.58 3mec h LYS 281 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3mec h LYS 281 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3mec h LYS 281 CO 0.00 0.00 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.48 3mec h LEU 282 N 0.00 0.89 -6.03 2.94 3.38 -1.69 -3.33 115.31 111.47 3mec h LEU 282 Ca 0.13 -0.38 -0.71 0.00 0.09 0.00 0.00 57.88 57.01 3mec h LEU 282 Cb 0.65 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3mec h LEU 282 CO -0.00 1.14 3.03 0.18 0.09 0.00 0.00 178.44 182.87 3mec n LEU 283 N -4.07 6.89 -4.68 1.67 4.77 -0.20 -4.94 117.00 116.43 3mec n LEU 283 Ca -0.01 -4.20 -0.35 0.00 -0.03 0.00 0.00 56.01 51.41 3mec n LEU 283 Cb 0.51 -1.64 -0.09 0.00 -2.33 0.00 0.00 43.42 39.86 3mec n LEU 283 CO 0.47 1.16 -0.31 -0.60 -1.33 0.00 0.00 177.39 176.78 3mec s ARG 284 N 2.84 2.98 2.50 3.23 6.06 -1.25 -4.98 118.95 130.33 3mec s ARG 284 Ca 0.47 -0.41 0.00 0.00 -2.50 0.00 0.00 55.73 53.28 3mec s ARG 284 Cb 0.14 -2.79 0.00 0.00 0.06 0.00 0.00 34.95 32.36 3mec s ARG 284 CO -0.08 0.70 0.00 0.41 -2.50 0.00 0.00 175.30 173.83 3mec n GLY 285 N 2.12 -0.51 3.09 8.12 0.00 -1.26 -4.60 105.19 112.15 3mec n GLY 285 Ca -0.18 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 3mec n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mec s THR 286 N 0.00 2.74 0.15 2.61 -4.23 -1.26 -5.10 115.64 110.55 3mec s THR 286 Ca 0.00 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 3mec s THR 286 Cb 0.00 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 3mec s THR 286 CO 0.00 -0.46 0.03 -0.54 -0.54 0.00 0.00 174.62 173.11 3mec s LYS 287 N 1.08 2.53 0.43 3.99 1.02 -1.26 -5.09 119.74 122.44 3mec s LYS 287 Ca 0.04 -1.00 -0.26 0.00 0.02 0.00 0.00 55.97 54.77 3mec s LYS 287 Cb -0.20 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.56 3mec s LYS 287 CO -0.05 0.48 1.39 0.00 -0.92 0.00 0.00 175.35 176.24 3mec n ALA 288 N -0.02 1.83 0.18 5.17 0.00 -1.26 -4.88 120.51 121.53 3mec n ALA 288 Ca -0.10 0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.66 3mec n ALA 288 Cb 0.54 -2.35 0.49 0.00 0.00 0.00 0.00 19.45 18.13 3mec n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mec h LEU 289 N 2.30 0.12 -0.63 0.00 3.38 -1.98 -2.72 115.31 115.77 3mec h LEU 289 Ca -0.50 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3mec h LEU 289 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3mec h LEU 289 CO 0.61 0.22 -0.30 0.35 0.09 0.00 0.00 178.44 179.41 3mec n THR 290 N -4.37 0.00 -2.17 0.22 -2.24 -1.26 -1.44 114.28 103.01 3mec n THR 290 Ca -0.01 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 3mec n THR 290 Cb 0.20 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3mec n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mec s GLU 291 N -2.48 4.39 0.04 -0.78 2.12 -1.03 -4.81 118.70 116.16 3mec s GLU 291 Ca 0.23 2.13 -0.22 0.00 0.36 0.00 0.00 54.97 57.48 3mec s GLU 291 Cb 0.19 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.39 3mec s GLU 291 CO 0.52 -0.19 0.66 0.08 -0.54 0.00 0.00 175.26 175.79 3mec s VAL 292 N -0.62 4.76 -0.07 3.70 1.01 -1.26 -1.40 120.40 126.52 3mec s VAL 292 Ca 0.52 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.92 3mec s VAL 292 Cb -0.38 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3mec s VAL 292 CO 0.46 0.44 -0.13 -0.51 0.00 0.00 0.00 175.10 175.36 3mec s ILE 293 N -0.46 1.23 0.65 2.22 2.07 -0.38 -4.95 121.20 121.59 3mec s ILE 293 Ca 0.33 -0.52 -0.16 0.00 -1.41 0.00 0.00 60.65 58.88 3mec s ILE 293 Cb -0.20 -1.12 -0.00 0.00 0.13 0.00 0.00 42.46 41.27 3mec s ILE 293 CO 0.20 0.38 1.16 -2.16 -1.91 0.00 0.00 174.94 172.61 3mec s PRO 294 N 0.71 2.70 -0.06 3.50 0.04 -1.26 -4.42 135.00 136.20 3mec s PRO 294 Ca -0.14 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 3mec s PRO 294 Cb -0.16 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3mec s PRO 294 CO 0.03 -1.37 0.60 -0.51 0.04 0.00 0.00 177.00 175.79 3mec s LEU 295 N -4.65 4.33 0.36 -3.56 2.01 -1.26 -5.05 118.68 110.86 3mec s LEU 295 Ca 0.72 1.06 -0.18 0.00 0.01 0.00 0.00 54.13 55.75 3mec s LEU 295 Cb -0.26 -2.91 -0.10 0.00 0.01 0.00 0.00 46.19 42.93 3mec s LEU 295 CO 0.39 -0.01 0.83 -0.89 1.01 0.00 0.00 176.35 177.68 3mec s THR 296 N 0.45 4.54 0.18 5.49 2.01 -1.26 -4.88 115.64 122.16 3mec s THR 296 Ca 0.32 1.22 -0.27 0.00 0.31 0.00 0.00 61.69 63.27 3mec s THR 296 Cb -0.17 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.74 3mec s THR 296 CO 0.15 -0.21 1.55 1.05 -0.69 0.00 0.00 174.62 176.47 3mec h GLU 297 N 2.20 -0.06 0.11 4.92 4.11 -1.97 0.54 114.58 124.42 3mec h GLU 297 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3mec h GLU 297 Cb 1.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3mec h GLU 297 CO 0.64 -0.04 -0.24 0.93 0.07 0.00 0.00 179.01 180.36 3mec h GLU 298 N -0.06 -0.37 -0.45 1.06 5.08 -1.93 -2.50 114.58 115.40 3mec h GLU 298 Ca 0.21 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 3mec h GLU 298 Cb 0.50 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 3mec h GLU 298 CO -0.89 -0.25 -0.07 0.00 -1.00 0.00 0.00 179.01 176.80 3mec h ALA 299 N -1.17 0.35 -1.09 3.43 0.00 -1.59 -0.59 119.26 118.60 3mec h ALA 299 Ca -0.01 0.16 0.31 0.00 0.00 0.00 0.00 54.91 55.37 3mec h ALA 299 Cb 0.37 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 3mec h ALA 299 CO -0.10 -0.43 0.68 0.93 0.00 0.00 0.00 179.25 180.33 3mec h GLU 300 N 0.04 0.32 0.11 0.00 4.39 0.35 0.12 114.58 119.91 3mec h GLU 300 Ca 0.22 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.63 3mec h GLU 300 Cb 0.34 -0.07 0.03 0.00 -0.10 0.00 0.00 28.75 28.94 3mec h GLU 300 CO -0.43 0.21 -1.12 1.25 -1.16 0.00 0.00 179.01 177.76 3mec h LEU 301 N 0.33 0.80 0.07 1.33 5.85 -0.69 -3.25 115.31 119.76 3mec h LEU 301 Ca 0.68 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3mec h LEU 301 Cb 1.74 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3mec h LEU 301 CO -0.40 1.55 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.76 3mec h GLU 302 N 0.16 -0.24 0.00 1.25 5.08 -0.20 0.21 114.58 120.85 3mec h GLU 302 Ca -0.17 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3mec h GLU 302 Cb 1.81 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 3mec h GLU 302 CO 0.22 -0.16 -0.06 1.37 -1.00 0.00 0.00 179.01 179.38 3mec h LEU 303 N -0.25 0.00 -0.06 1.33 -0.00 -1.67 1.04 115.31 115.70 3mec h LEU 303 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3mec h LEU 303 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 3mec h LEU 303 CO -0.07 0.06 0.02 0.00 -0.00 0.00 0.00 178.44 178.45 3mec h ALA 304 N 1.94 0.08 -0.00 0.17 0.00 -1.47 0.11 119.26 120.10 3mec h ALA 304 Ca -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3mec h ALA 304 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3mec h ALA 304 CO 0.01 -0.32 -0.77 0.93 0.00 0.00 0.00 179.25 179.10 3mec h GLU 305 N -0.08 0.03 -0.47 0.00 5.08 0.29 -1.29 114.58 118.14 3mec h GLU 305 Ca 0.02 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3mec h GLU 305 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3mec h GLU 305 CO -0.00 0.78 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.73 3mec h ASN 306 N 0.02 0.94 -0.69 1.42 -0.26 0.91 -0.98 115.58 116.94 3mec h ASN 306 Ca -0.01 -0.38 0.01 0.00 -0.56 0.00 0.00 56.30 55.36 3mec h ASN 306 Cb 1.36 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 38.33 3mec h ASN 306 CO 0.10 1.11 0.45 0.03 -1.06 0.00 0.00 177.43 178.06 3mec h ARG 307 N 0.77 0.89 -0.80 0.81 3.08 -0.65 0.47 114.38 118.95 3mec h ARG 307 Ca 0.11 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.19 3mec h ARG 307 Cb 0.71 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 3mec h ARG 307 CO 0.05 0.59 0.52 1.49 -1.07 0.00 0.00 179.97 181.56 3mec h GLU 308 N 0.92 0.77 -0.01 0.04 4.81 -0.94 -2.23 114.58 117.94 3mec h GLU 308 Ca 0.26 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3mec h GLU 308 Cb -0.08 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.14 3mec h GLU 308 CO -0.07 0.51 -0.44 0.82 -0.73 0.00 0.00 179.01 179.10 3mec h ILE 309 N 0.79 1.47 0.00 2.32 2.04 0.14 -3.28 117.51 120.99 3mec h ILE 309 Ca 0.36 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 64.23 3mec h ILE 309 Cb 0.36 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3mec h ILE 309 CO -0.13 0.57 0.00 -0.07 0.00 0.00 0.00 178.15 178.51 3mec h LEU 310 N -0.25 0.00 -1.25 1.44 -0.00 0.25 -2.39 115.31 113.11 3mec h LEU 310 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.76 3mec h LEU 310 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 3mec h LEU 310 CO 0.09 0.00 -0.26 0.50 -0.00 0.00 0.00 178.44 178.77 3mec h LYS 311 N 0.00 0.19 -6.78 1.13 3.64 -1.47 -3.43 116.57 109.86 3mec h LYS 311 Ca 0.00 -0.06 -0.44 0.00 -1.27 0.00 0.00 60.65 58.88 3mec h LYS 311 Cb 0.23 -0.02 0.04 0.00 -0.41 0.00 0.00 32.23 32.07 3mec h LYS 311 CO 0.00 0.44 -0.07 -1.21 -2.27 0.00 0.00 179.45 176.34 3mec s GLU 312 N -4.46 2.62 0.70 1.90 0.41 -0.90 -4.96 118.70 114.01 3mec s GLU 312 Ca -0.05 -0.82 -0.14 0.00 -0.41 0.00 0.00 54.97 53.55 3mec s GLU 312 Cb 0.15 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.99 3mec s GLU 312 CO 0.74 -0.62 1.13 -1.25 -0.49 0.00 0.00 175.26 174.77 3mec s PRO 313 N -4.69 2.50 -0.05 0.39 0.04 -1.26 -4.93 135.00 126.99 3mec s PRO 313 Ca 0.56 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 3mec s PRO 313 Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3mec s PRO 313 CO 0.38 -1.50 1.53 0.08 0.04 0.00 0.00 177.00 177.53 3mec s VAL 314 N -2.35 3.66 -0.01 -0.36 1.01 -1.26 -4.95 120.40 116.15 3mec s VAL 314 Ca 0.68 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3mec s VAL 314 Cb -0.22 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 3mec s VAL 314 CO 0.45 -0.05 1.48 -2.28 0.00 0.00 0.00 175.10 174.70 3mec s HIS 315 N 3.42 2.61 0.00 5.22 2.46 -1.26 -3.29 115.29 124.45 3mec s HIS 315 Ca 0.68 0.62 0.00 0.00 0.47 0.00 0.00 55.06 56.84 3mec s HIS 315 Cb -0.32 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.38 3mec s HIS 315 CO 0.27 -2.92 0.00 0.41 -2.47 0.00 0.00 174.74 170.03 3mec n GLY 316 N 3.80 0.64 3.33 1.59 0.00 -1.26 -4.71 105.19 108.57 3mec n GLY 316 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3mec n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mec s VAL 317 N -2.00 3.43 0.05 1.61 1.01 -1.21 -5.10 120.40 118.20 3mec s VAL 317 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3mec s VAL 317 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3mec s VAL 317 CO 0.00 0.43 -0.11 -0.31 0.00 0.00 0.00 175.10 175.11 3mec s TYR 318 N 1.31 0.95 0.13 5.22 1.51 -1.26 -4.95 117.35 120.26 3mec s TYR 318 Ca 0.04 -0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 55.34 3mec s TYR 318 Cb -0.14 -0.55 -0.08 0.00 -0.11 0.00 0.00 41.96 41.08 3mec s TYR 318 CO -0.02 -0.01 1.36 -0.47 -1.11 0.00 0.00 175.55 175.30 3mec s TYR 319 N -1.22 3.27 -0.29 2.71 5.04 -1.26 -5.01 117.35 120.58 3mec s TYR 319 Ca -0.05 1.04 -0.04 0.00 -2.44 0.00 0.00 57.07 55.58 3mec s TYR 319 Cb -0.09 -3.64 0.03 0.00 0.35 0.00 0.00 41.96 38.61 3mec s TYR 319 CO 0.01 -2.18 0.02 0.34 -1.34 0.00 0.00 175.55 172.40 3mec s ASP 320 N 0.94 4.86 0.12 4.32 -1.08 -1.26 -5.00 116.67 119.58 3mec s ASP 320 Ca 0.62 -1.00 0.15 0.00 -0.52 0.00 0.00 52.55 51.80 3mec s ASP 320 Cb -0.36 -1.77 0.68 0.00 -1.46 0.00 0.00 42.92 40.01 3mec s ASP 320 CO 0.32 -0.22 1.47 -0.81 0.52 0.00 0.00 175.17 176.45 3mec n PRO 321 N 4.73 0.08 0.00 4.34 -0.04 -1.26 -1.39 135.00 141.45 3mec n PRO 321 Ca -0.14 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 3mec n PRO 321 Cb 0.46 -1.67 0.40 0.00 -0.04 0.00 0.00 33.50 32.65 3mec n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mec n SER 322 N -1.82 1.35 -4.59 3.54 3.41 -1.26 -4.90 113.62 109.35 3mec n SER 322 Ca 0.02 -1.21 -0.30 0.00 -0.26 0.00 0.00 58.87 57.11 3mec n SER 322 Cb 0.13 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 3mec n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3mec s LYS 323 N -2.28 2.28 0.51 4.33 3.01 -0.49 -5.11 119.74 122.00 3mec s LYS 323 Ca 0.30 -0.92 -0.22 0.00 -1.01 0.00 0.00 55.97 54.11 3mec s LYS 323 Cb 0.20 -2.37 -0.06 0.00 -1.01 0.00 0.00 37.83 34.59 3mec s LYS 323 CO 0.44 0.54 1.23 -0.51 0.51 0.00 0.00 175.35 177.56 3mec s ASP 324 N -1.96 5.73 0.05 2.83 1.01 -1.26 -4.92 116.67 118.15 3mec s ASP 324 Ca 0.20 2.45 -0.18 0.00 0.71 0.00 0.00 52.55 55.74 3mec s ASP 324 Cb -0.11 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.14 3mec s ASP 324 CO 0.12 -1.23 0.51 -0.76 0.21 0.00 0.00 175.17 174.02 3mec s LEU 325 N -3.37 4.51 -0.01 1.23 1.43 -1.26 -4.59 118.68 116.63 3mec s LEU 325 Ca 0.68 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 3mec s LEU 325 Cb -0.32 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 3mec s LEU 325 CO 0.38 0.29 -0.20 -0.63 0.23 0.00 0.00 176.35 176.42 3mec s ILE 326 N -1.10 2.58 -0.11 -0.59 1.01 0.46 0.33 121.20 123.79 3mec s ILE 326 Ca 0.27 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.92 3mec s ILE 326 Cb -0.18 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.30 3mec s ILE 326 CO 0.17 0.51 -0.18 0.00 0.00 0.00 0.00 174.94 175.44 3mec s ALA 327 N -0.75 1.82 -0.09 9.38 0.00 -0.45 -1.24 121.76 130.44 3mec s ALA 327 Ca 0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 3mec s ALA 327 Cb -0.10 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3mec s ALA 327 CO 0.01 0.01 0.02 -1.21 0.00 0.00 0.00 175.76 174.60 3mec s GLU 328 N 0.81 3.07 -0.03 0.00 2.02 -0.24 -0.16 118.70 124.17 3mec s GLU 328 Ca -0.10 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 54.60 3mec s GLU 328 Cb -0.16 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 3mec s GLU 328 CO 0.01 0.71 -0.24 0.42 0.02 0.00 0.00 175.26 176.17 3mec s ILE 329 N -0.88 1.91 -0.07 -1.63 1.01 -1.22 -0.93 121.20 119.38 3mec s ILE 329 Ca 0.13 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3mec s ILE 329 Cb -0.11 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3mec s ILE 329 CO 0.03 0.54 -0.24 -1.10 0.00 0.00 0.00 174.94 174.16 3mec s GLN 330 N -0.38 2.71 -0.19 2.79 1.11 0.10 -4.40 119.66 121.41 3mec s GLN 330 Ca 0.04 -0.89 -0.29 0.00 0.01 0.00 0.00 55.36 54.23 3mec s GLN 330 Cb -0.11 -2.20 -0.01 0.00 -1.01 0.00 0.00 33.01 29.69 3mec s GLN 330 CO 0.01 0.31 1.24 0.21 0.01 0.00 0.00 175.29 177.06 3mec s LYS 331 N 0.02 4.20 -0.00 2.91 2.20 -1.26 -1.34 119.74 126.47 3mec s LYS 331 Ca -0.09 1.57 0.20 0.00 -0.36 0.00 0.00 55.97 57.29 3mec s LYS 331 Cb -0.15 -3.76 -0.23 0.00 -1.51 0.00 0.00 37.83 32.18 3mec s LYS 331 CO 0.06 -0.74 0.78 1.04 -0.36 0.00 0.00 175.35 176.12 3mec n GLN 332 N 6.65 0.54 0.00 4.03 1.13 0.15 -4.97 117.38 124.91 3mec n GLN 332 Ca 0.14 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 3mec n GLN 332 Cb 0.45 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.37 3mec n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mec n GLY 333 N 1.45 2.00 3.84 1.08 0.00 -1.18 -4.86 105.19 107.52 3mec n GLY 333 Ca 0.03 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 3mec n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mec n GLN 334 N 1.71 -3.17 -1.48 1.61 6.02 -1.26 -0.42 117.38 120.40 3mec n GLN 334 Ca 0.00 0.38 -0.07 0.00 -0.01 0.00 0.00 57.00 57.30 3mec n GLN 334 Cb 0.00 -5.10 -0.02 0.00 1.02 0.00 0.00 30.24 26.14 3mec n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mec n GLY 335 N -1.26 0.70 3.51 1.08 0.00 -1.26 -4.78 105.19 103.19 3mec n GLY 335 Ca 0.04 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 3mec n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mec s GLN 336 N -3.12 2.39 -0.01 1.61 -0.21 0.44 -2.30 119.66 118.45 3mec s GLN 336 Ca 0.00 -0.79 -0.00 0.00 0.02 0.00 0.00 55.36 54.59 3mec s GLN 336 Cb 0.00 -2.36 0.02 0.00 1.00 0.00 0.00 33.01 31.67 3mec s GLN 336 CO 0.00 0.59 0.02 -1.58 -2.12 0.00 0.00 175.29 172.20 3mec s TRP 337 N -0.89 0.02 0.09 0.91 0.52 0.05 -0.68 118.94 118.96 3mec s TRP 337 Ca 0.14 0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.41 3mec s TRP 337 Cb -0.11 -0.16 -0.04 0.00 -1.15 0.00 0.00 33.47 32.02 3mec s TRP 337 CO 0.04 -0.06 -0.02 0.95 0.02 0.00 0.00 176.95 177.89 3mec s THR 338 N 0.72 3.91 0.04 2.01 -4.23 -0.45 -0.45 115.64 117.19 3mec s THR 338 Ca -0.06 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3mec s THR 338 Cb -0.09 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 3mec s THR 338 CO -0.02 0.13 0.16 -0.72 -0.54 0.00 0.00 174.62 173.62 3mec s TYR 339 N -1.29 0.11 0.03 3.99 -0.85 -0.65 0.01 117.35 118.70 3mec s TYR 339 Ca 0.25 -0.35 0.04 0.00 -0.52 0.00 0.00 57.07 56.49 3mec s TYR 339 Cb -0.12 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.14 3mec s TYR 339 CO 0.17 -0.40 -0.11 -0.65 -1.52 0.00 0.00 175.55 173.04 3mec s GLN 340 N -2.51 0.77 -0.18 -3.49 1.11 -0.11 -1.49 119.66 113.75 3mec s GLN 340 Ca -0.06 -0.63 -0.00 0.00 0.01 0.00 0.00 55.36 54.69 3mec s GLN 340 Cb -0.01 -0.72 0.01 0.00 -1.01 0.00 0.00 33.01 31.28 3mec s GLN 340 CO -0.04 0.18 -0.16 0.42 0.01 0.00 0.00 175.29 175.70 3mec s ILE 341 N -0.77 2.43 0.23 1.08 1.01 0.66 -1.08 121.20 124.76 3mec s ILE 341 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 3mec s ILE 341 Cb -0.07 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3mec s ILE 341 CO 0.01 0.51 0.25 -0.72 0.00 0.00 0.00 174.94 174.98 3mec s TYR 342 N 1.24 1.02 -0.10 3.97 1.13 -0.37 0.03 117.35 124.29 3mec s TYR 342 Ca 0.03 -1.25 0.03 0.00 -1.41 0.00 0.00 57.07 54.47 3mec s TYR 342 Cb -0.14 -0.37 -0.08 0.00 -1.10 0.00 0.00 41.96 40.27 3mec s TYR 342 CO -0.09 -0.78 -0.05 1.04 -2.51 0.00 0.00 175.55 173.17 3mec n GLN 343 N -0.35 1.10 -4.95 -3.49 6.02 -1.26 -0.40 117.38 114.05 3mec n GLN 343 Ca 0.02 0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 3mec n GLN 343 Cb 0.64 -1.21 -0.16 0.00 1.02 0.00 0.00 30.24 30.54 3mec n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3mec s GLU 344 N -2.20 3.16 0.24 -1.09 2.02 -1.26 -4.87 118.70 114.70 3mec s GLU 344 Ca -0.11 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 3mec s GLU 344 Cb 0.03 -2.45 -0.14 0.00 0.10 0.00 0.00 34.13 31.67 3mec s GLU 344 CO 0.27 0.15 1.13 -2.30 0.02 0.00 0.00 175.26 174.53 3mec n PRO 345 N 3.65 1.41 0.00 0.39 -0.02 -1.26 -0.79 135.00 138.38 3mec n PRO 345 Ca -0.19 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3mec n PRO 345 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3mec n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mec n PHE 346 N 0.91 0.00 -2.61 6.00 3.01 -1.26 -4.94 117.46 118.57 3mec n PHE 346 Ca 0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.14 3mec n PHE 346 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 3mec n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3mec n LYS 347 N -2.00 3.26 -2.12 -1.08 5.02 0.03 -4.68 118.16 116.59 3mec n LYS 347 Ca 0.00 -3.44 -0.43 0.00 -2.02 0.00 0.00 58.31 52.42 3mec n LYS 347 Cb 0.00 -3.26 -0.03 0.00 -0.02 0.00 0.00 35.03 31.72 3mec n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3mec s ASN 348 N 3.32 6.67 0.16 4.39 0.02 -1.26 -4.17 114.94 124.06 3mec s ASN 348 Ca 0.48 1.98 0.05 0.00 -1.02 0.00 0.00 52.86 54.35 3mec s ASN 348 Cb 0.03 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.72 3mec s ASN 348 CO 0.03 -0.96 1.36 -0.07 0.02 0.00 0.00 177.10 177.48 3mec h LEU 349 N 10.44 0.12 -7.00 0.60 3.38 -0.77 -3.44 115.31 118.64 3mec h LEU 349 Ca -0.35 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3mec h LEU 349 Cb 1.16 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.66 3mec h LEU 349 CO 0.97 0.96 0.21 -0.75 0.09 0.00 0.00 178.44 179.92 3mec s LYS 350 N -3.04 0.90 0.13 1.13 2.20 -1.05 -5.01 119.74 115.01 3mec s LYS 350 Ca -0.01 0.58 0.05 0.00 -0.36 0.00 0.00 55.97 56.23 3mec s LYS 350 Cb 0.10 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.81 3mec s LYS 350 CO 0.82 -0.21 -0.12 0.95 -0.36 0.00 0.00 175.35 176.44 3mec s THR 351 N -0.44 1.19 0.17 3.43 -4.23 -1.26 -0.24 115.64 114.25 3mec s THR 351 Ca -0.05 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.48 3mec s THR 351 Cb -0.02 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.24 3mec s THR 351 CO 0.05 -0.59 0.65 0.61 -0.54 0.00 0.00 174.62 174.80 3mec n GLY 352 N 0.22 0.97 3.16 3.99 0.00 -0.56 -2.58 105.19 110.40 3mec n GLY 352 Ca -0.13 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 3mec n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mec s LYS 353 N -2.04 0.78 0.01 1.61 0.00 -1.26 -1.63 119.74 117.21 3mec s LYS 353 Ca 0.14 -1.18 0.02 0.00 0.00 0.00 0.00 55.97 54.95 3mec s LYS 353 Cb -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 37.83 38.06 3mec s LYS 353 CO 0.05 -0.21 -0.06 -0.47 0.00 0.00 0.00 175.35 174.66 3mec s TYR 354 N -3.93 0.57 0.13 1.78 6.14 0.40 -4.99 117.35 117.45 3mec s TYR 354 Ca 0.10 -0.24 -0.10 0.00 0.64 0.00 0.00 57.07 57.47 3mec s TYR 354 Cb 0.07 -0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.09 3mec s TYR 354 CO -0.07 -0.03 0.28 0.00 0.64 0.00 0.00 175.55 176.36 3mec s ALA 355 N -0.58 -0.23 0.04 3.97 0.00 -1.26 -0.77 121.76 122.93 3mec s ALA 355 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3mec s ALA 355 Cb -0.05 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3mec s ALA 355 CO 0.00 -0.61 0.00 -2.13 0.00 0.00 0.00 175.76 173.02 3mec n ARG 356 N -0.17 -2.25 -3.47 0.00 3.00 -0.97 -5.02 116.66 107.77 3mec n ARG 356 Ca -0.11 1.91 -0.27 0.00 -0.00 0.00 0.00 57.85 59.38 3mec n ARG 356 Cb 0.63 -2.08 -0.10 0.00 0.00 0.00 0.00 32.46 30.91 3mec n ARG 356 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3mec s THR 362 N -0.24 0.74 -0.26 5.15 -4.23 -1.26 -4.91 115.64 110.64 3mec s THR 362 Ca 0.00 -2.89 -0.09 0.00 -1.18 0.00 0.00 61.69 57.53 3mec s THR 362 Cb 0.00 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 3mec s THR 362 CO 0.00 -1.20 0.13 0.21 -0.54 0.00 0.00 174.62 173.22 3mec s ASN 363 N -0.16 5.63 0.21 3.99 3.84 -1.26 -5.00 114.94 122.18 3mec s ASN 363 Ca 0.31 -0.08 -0.09 0.00 0.21 0.00 0.00 52.86 53.21 3mec s ASN 363 Cb 0.02 -2.03 0.22 0.00 -0.55 0.00 0.00 41.25 38.91 3mec s ASN 363 CO -0.19 -0.02 1.84 0.44 -2.79 0.00 0.00 177.10 176.38 3mec h ASP 364 N 8.14 0.70 -0.08 -4.21 3.45 -2.04 -2.30 116.42 120.09 3mec h ASP 364 Ca -0.37 0.01 -0.16 0.00 0.43 0.00 0.00 57.03 56.95 3mec h ASP 364 Cb 1.18 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.80 3mec h ASP 364 CO 0.58 0.48 -0.48 0.58 -1.57 0.00 0.00 179.24 178.82 3mec h VAL 365 N 0.84 1.30 -0.32 -1.35 2.07 -1.99 -1.31 116.25 115.49 3mec h VAL 365 Ca 0.30 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3mec h VAL 365 Cb 0.07 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3mec h VAL 365 CO -0.13 0.54 0.14 0.50 0.02 0.00 0.00 177.57 178.64 3mec h LYS 366 N 0.51 0.46 -0.50 1.57 3.64 -1.89 -0.34 116.57 120.02 3mec h LYS 366 Ca 0.03 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3mec h LYS 366 Cb 1.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3mec h LYS 366 CO 0.10 0.44 0.16 1.96 -2.27 0.00 0.00 179.45 179.84 3mec h GLN 367 N 0.37 0.77 -0.36 1.90 4.20 -1.23 -0.53 115.11 120.24 3mec h GLN 367 Ca 0.11 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3mec h GLN 367 Cb 0.14 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3mec h GLN 367 CO -0.01 0.72 0.23 1.25 -0.67 0.00 0.00 178.83 180.35 3mec h LEU 368 N 0.67 0.42 -0.69 1.46 6.46 -1.10 0.11 115.31 122.64 3mec h LEU 368 Ca 0.16 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.99 3mec h LEU 368 Cb 0.27 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.01 3mec h LEU 368 CO -0.01 0.33 0.31 0.74 -0.62 0.00 0.00 178.44 179.19 3mec h THR 369 N 0.48 0.79 -0.40 1.05 2.02 -0.78 0.49 112.91 116.56 3mec h THR 369 Ca 0.13 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 3mec h THR 369 Cb -0.03 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3mec h THR 369 CO -0.03 0.09 -0.15 -0.33 0.37 0.00 0.00 175.52 175.48 3mec h GLU 370 N 0.52 0.81 -0.56 6.66 5.08 -0.44 -2.74 114.58 123.91 3mec h GLU 370 Ca 0.35 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3mec h GLU 370 Cb 0.43 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3mec h GLU 370 CO -0.31 0.96 0.22 0.00 -1.00 0.00 0.00 179.01 178.89 3mec h ALA 371 N 0.83 0.73 -0.91 3.43 0.00 0.04 -1.05 119.26 122.33 3mec h ALA 371 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3mec h ALA 371 Cb 0.69 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3mec h ALA 371 CO 0.05 0.34 0.60 0.28 0.00 0.00 0.00 179.25 180.52 3mec h VAL 372 N 0.77 1.18 -0.28 0.00 2.07 -0.89 0.13 116.25 119.23 3mec h VAL 372 Ca 0.19 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 3mec h VAL 372 Cb 0.20 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3mec h VAL 372 CO -0.02 0.22 -0.31 1.56 0.02 0.00 0.00 177.57 179.04 3mec h GLN 373 N 1.18 0.70 0.13 1.57 4.20 -1.12 -0.13 115.11 121.65 3mec h GLN 373 Ca 0.35 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.69 3mec h GLN 373 Cb -0.05 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3mec h GLN 373 CO -0.10 1.00 -0.24 -0.22 -0.67 0.00 0.00 178.83 178.60 3mec h LYS 374 N 0.44 -0.43 -0.75 1.46 3.11 -0.95 -0.22 116.57 119.23 3mec h LYS 374 Ca 0.04 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 3mec h LYS 374 Cb 0.89 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 32.18 3mec h LYS 374 CO 0.08 -0.29 0.38 0.82 -2.81 0.00 0.00 179.45 177.63 3mec h ILE 375 N -0.45 1.23 -0.59 2.00 2.04 -0.69 -1.55 117.51 119.50 3mec h ILE 375 Ca 0.03 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3mec h ILE 375 Cb 0.47 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3mec h ILE 375 CO -0.13 0.26 0.10 0.74 0.00 0.00 0.00 178.15 179.12 3mec h THR 376 N 1.05 1.26 -0.40 -0.27 2.02 -0.81 -1.73 112.91 114.02 3mec h THR 376 Ca 0.26 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3mec h THR 376 Cb 0.06 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3mec h THR 376 CO -0.04 0.36 0.26 0.74 0.37 0.00 0.00 175.52 177.21 3mec h THR 377 N 0.88 1.11 -0.70 3.16 2.02 -0.49 -0.41 112.91 118.48 3mec h THR 377 Ca 0.18 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3mec h THR 377 Cb 0.42 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3mec h THR 377 CO 0.01 0.11 0.26 -0.33 0.37 0.00 0.00 175.52 175.94 3mec h GLU 378 N 0.54 1.06 -0.73 6.66 5.08 -1.15 -1.35 114.58 124.69 3mec h GLU 378 Ca 0.15 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3mec h GLU 378 Cb -0.04 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3mec h GLU 378 CO -0.03 0.89 0.30 1.03 -1.00 0.00 0.00 179.01 180.19 3mec h SER 379 N 1.01 0.98 -0.43 1.42 0.87 -1.06 0.24 113.55 116.59 3mec h SER 379 Ca 0.23 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3mec h SER 379 Cb 0.24 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3mec h SER 379 CO -0.02 0.87 0.16 0.40 -0.53 0.00 0.00 176.83 177.71 3mec h ILE 380 N 1.05 1.21 -0.46 2.23 2.04 -0.66 0.42 117.51 123.34 3mec h ILE 380 Ca 0.25 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3mec h ILE 380 Cb 0.19 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3mec h ILE 380 CO -0.02 0.24 -0.03 0.58 0.00 0.00 0.00 178.15 178.92 3mec h VAL 381 N 0.55 1.27 -0.00 1.67 2.07 -0.34 0.27 116.25 121.74 3mec h VAL 381 Ca 0.14 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 3mec h VAL 381 Cb 0.22 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3mec h VAL 381 CO -0.01 0.38 -0.43 0.40 0.02 0.00 0.00 177.57 177.93 3mec h ILE 382 N 0.67 1.49 0.00 4.57 2.04 -0.49 -3.38 117.51 122.40 3mec h ILE 382 Ca 0.13 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3mec h ILE 382 Cb 0.54 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3mec h ILE 382 CO 0.03 0.57 0.00 0.79 0.00 0.00 0.00 178.15 179.54 3mec n TRP 383 N -4.36 0.00 -2.63 1.37 8.01 0.12 -4.94 117.44 115.02 3mec n TRP 383 Ca -0.10 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.95 3mec n TRP 383 Cb 0.59 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.91 3mec n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mec n GLY 384 N 0.90 -0.12 3.19 6.99 0.00 0.08 -4.94 105.19 111.29 3mec n GLY 384 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 3mec n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mec s LYS 385 N -5.14 0.58 -0.13 1.61 2.20 -1.23 -4.98 119.74 112.66 3mec s LYS 385 Ca 0.15 -0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.47 3mec s LYS 385 Cb -0.07 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 3mec s LYS 385 CO 0.19 -0.15 0.11 0.99 -0.36 0.00 0.00 175.35 176.13 3mec s THR 386 N -1.25 5.28 0.54 3.43 2.01 -1.26 -3.21 115.64 121.18 3mec s THR 386 Ca -0.13 0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 3mec s THR 386 Cb -0.06 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3mec s THR 386 CO 0.03 0.59 0.91 -2.16 -0.69 0.00 0.00 174.62 173.31 3mec s PRO 387 N -0.80 3.62 -0.18 4.92 0.04 -1.26 -4.55 135.00 136.79 3mec s PRO 387 Ca 0.13 0.53 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 3mec s PRO 387 Cb -0.12 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3mec s PRO 387 CO 0.03 -0.37 0.60 0.21 0.04 0.00 0.00 177.00 177.51 3mec s LYS 388 N -4.84 4.24 -0.02 4.56 2.20 0.15 -4.18 119.74 121.86 3mec s LYS 388 Ca 0.52 0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 56.54 3mec s LYS 388 Cb -0.11 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 3mec s LYS 388 CO 0.47 -0.17 0.49 -0.06 -0.36 0.00 0.00 175.35 175.73 3mec s PHE 389 N 1.67 3.68 -0.52 4.03 0.40 0.00 -1.35 117.98 125.89 3mec s PHE 389 Ca 0.28 1.06 -0.17 0.00 -0.60 0.00 0.00 56.93 57.50 3mec s PHE 389 Cb -0.16 -2.46 0.09 0.00 0.51 0.00 0.00 43.02 41.00 3mec s PHE 389 CO 0.11 0.46 0.55 0.15 0.70 0.00 0.00 175.22 177.19 3mec s LYS 390 N -0.48 3.04 -0.22 0.44 -0.14 0.77 -0.38 119.74 122.78 3mec s LYS 390 Ca 0.27 -1.29 -0.14 0.00 -1.36 0.00 0.00 55.97 53.45 3mec s LYS 390 Cb -0.17 -4.19 -0.04 0.00 -1.68 0.00 0.00 37.83 31.75 3mec s LYS 390 CO 0.14 -1.26 0.32 -0.51 -0.76 0.00 0.00 175.35 173.29 3mec s LEU 391 N 2.15 4.13 -1.34 3.17 1.43 -0.06 -3.41 118.68 124.76 3mec s LEU 391 Ca 0.09 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 3mec s LEU 391 Cb -0.24 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 3mec s LEU 391 CO 0.07 -0.04 2.29 -0.81 0.23 0.00 0.00 176.35 178.09 3mec n PRO 392 N 4.48 2.71 -3.84 1.29 -0.04 -1.26 -1.89 135.00 136.45 3mec n PRO 392 Ca -0.10 -2.34 -0.07 0.00 -0.04 0.00 0.00 63.50 60.94 3mec n PRO 392 Cb 0.51 -3.10 -0.01 0.00 -0.04 0.00 0.00 33.50 30.86 3mec n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3mec s ILE 393 N 3.36 0.00 -0.03 0.52 2.07 -1.25 -4.95 121.20 120.93 3mec s ILE 393 Ca 0.52 -0.98 -0.25 0.00 -1.41 0.00 0.00 60.65 58.53 3mec s ILE 393 Cb 0.15 -2.30 -0.04 0.00 0.13 0.00 0.00 42.46 40.40 3mec s ILE 393 CO -0.05 0.00 0.78 -1.58 -1.91 0.00 0.00 174.94 172.18 3mec s GLN 394 N -3.35 4.48 0.24 3.50 0.74 -1.26 -4.45 119.66 119.56 3mec s GLN 394 Ca 0.13 1.05 -0.11 0.00 0.05 0.00 0.00 55.36 56.47 3mec s GLN 394 Cb -0.05 -3.43 0.33 0.00 1.10 0.00 0.00 33.01 30.95 3mec s GLN 394 CO 0.08 0.08 1.60 -0.22 -0.55 0.00 0.00 175.29 176.28 3mec h LYS 395 N 6.54 -0.01 -0.41 1.67 3.64 -1.97 -0.53 116.57 125.51 3mec h LYS 395 Ca -0.42 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.85 3mec h LYS 395 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3mec h LYS 395 CO 0.74 -0.00 -0.20 0.93 -2.27 0.00 0.00 179.45 178.65 3mec h GLU 396 N -0.01 0.86 -0.18 1.90 3.07 -2.00 -2.19 114.58 116.04 3mec h GLU 396 Ca 0.38 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3mec h GLU 396 Cb 0.58 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3mec h GLU 396 CO -0.82 1.02 0.10 1.15 -1.40 0.00 0.00 179.01 179.07 3mec h THR 397 N 0.68 1.09 -0.50 1.13 2.02 -1.76 -2.47 112.91 113.11 3mec h THR 397 Ca 0.09 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3mec h THR 397 Cb 0.76 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3mec h THR 397 CO 0.06 0.09 0.25 -0.25 0.37 0.00 0.00 175.52 176.04 3mec h TRP 398 N 0.20 0.46 -0.29 3.16 2.91 -0.96 -2.95 115.95 118.48 3mec h TRP 398 Ca 0.06 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.98 3mec h TRP 398 Cb 0.05 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 3mec h TRP 398 CO -0.04 0.23 -0.34 0.93 -1.03 0.00 0.00 178.44 178.19 3mec h GLU 399 N 0.49 0.63 -0.66 2.65 5.08 -1.28 -0.60 114.58 120.89 3mec h GLU 399 Ca 0.22 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3mec h GLU 399 Cb 0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3mec h GLU 399 CO -0.15 0.88 0.41 1.15 -1.00 0.00 0.00 179.01 180.30 3mec h THR 400 N 0.53 1.08 0.00 1.13 2.02 -1.33 -3.39 112.91 112.94 3mec h THR 400 Ca 0.06 -0.27 -0.21 0.00 0.77 0.00 0.00 66.41 66.76 3mec h THR 400 Cb 0.83 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3mec h THR 400 CO 0.07 0.15 -1.80 0.79 0.37 0.00 0.00 175.52 175.10 3mec n TRP 401 N -4.70 0.00 0.04 3.16 7.02 -0.89 -4.56 117.44 117.51 3mec n TRP 401 Ca 0.07 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.74 3mec n TRP 401 Cb 0.09 -0.57 0.69 0.00 -2.42 0.00 0.00 31.31 29.10 3mec n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 3mec h TRP 402 N 0.00 0.00 -0.78 -5.99 5.08 -1.32 0.39 115.95 113.33 3mec h TRP 402 Ca -0.31 0.00 0.16 0.00 1.08 0.00 0.00 58.89 59.82 3mec h TRP 402 Cb 1.68 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.79 3mec h TRP 402 CO 0.00 0.00 0.52 1.15 -1.28 0.00 0.00 178.44 178.83 3mec h THR 403 N 0.00 0.77 0.00 0.12 2.02 -1.83 -1.48 112.91 112.51 3mec h THR 403 Ca 0.22 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3mec h THR 403 Cb 0.88 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3mec h THR 403 CO -0.00 0.08 -0.07 -0.33 0.37 0.00 0.00 175.52 175.56 3mec h GLU 404 N 0.41 0.00 0.00 6.66 4.39 -0.52 -3.22 114.58 122.31 3mec h GLU 404 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 3mec h GLU 404 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3mec h GLU 404 CO -0.13 0.07 -0.17 0.66 -1.16 0.00 0.00 179.01 178.28 3mec n TYR 405 N -3.30 0.00 -1.90 4.33 4.01 -0.95 -4.92 117.16 114.44 3mec n TYR 405 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3mec n TYR 405 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 3mec n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mec s TRP 406 N -0.94 2.94 0.00 -0.72 -0.11 -0.60 -4.90 118.94 114.61 3mec s TRP 406 Ca 0.00 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.12 3mec s TRP 406 Cb 0.00 -3.95 0.00 0.00 -1.50 0.00 0.00 33.47 28.02 3mec s TRP 406 CO 0.00 -3.28 0.21 1.04 -4.62 0.00 0.00 176.95 170.31 3mec n GLN 407 N 2.81 -0.40 -3.36 5.86 6.02 -1.26 -4.55 117.38 122.50 3mec n GLN 407 Ca 0.10 -0.21 -0.24 0.00 -0.01 0.00 0.00 57.00 56.64 3mec n GLN 407 Cb 0.38 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.93 3mec n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mec s ALA 408 N -0.00 3.72 -1.33 -1.58 0.00 -1.26 -4.91 121.76 116.40 3mec s ALA 408 Ca 0.00 -0.95 0.25 0.00 0.00 0.00 0.00 51.96 51.26 3mec s ALA 408 Cb 0.00 -2.09 0.48 0.00 0.00 0.00 0.00 23.12 21.51 3mec s ALA 408 CO 0.00 -0.05 1.39 0.25 0.00 0.00 0.00 175.76 177.35 3mec n THR 409 N -1.80 0.00 -3.68 0.00 -2.24 -1.26 -4.86 114.28 100.43 3mec n THR 409 Ca -0.04 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 3mec n THR 409 Cb 0.56 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3mec n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3mec s TRP 410 N -2.79 2.90 -0.06 4.78 1.48 -1.26 -4.63 118.94 119.36 3mec s TRP 410 Ca 0.16 -0.33 -0.01 0.00 -1.06 0.00 0.00 56.10 54.87 3mec s TRP 410 Cb 0.18 -1.92 0.03 0.00 -1.16 0.00 0.00 33.47 30.60 3mec s TRP 410 CO 0.65 0.08 -0.01 0.42 -4.06 0.00 0.00 176.95 174.03 3mec s ILE 411 N -2.31 0.38 0.69 0.66 1.01 -1.26 -5.03 121.20 115.33 3mec s ILE 411 Ca 0.43 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 3mec s ILE 411 Cb -0.06 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.91 3mec s ILE 411 CO 0.28 0.24 1.06 -2.16 0.00 0.00 0.00 174.94 174.35 3mec s PRO 412 N 1.60 2.97 0.47 2.79 0.04 -1.26 -4.90 135.00 136.71 3mec s PRO 412 Ca -0.01 0.85 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 3mec s PRO 412 Cb -0.13 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3mec s PRO 412 CO -0.03 -1.05 1.06 -1.21 0.04 0.00 0.00 177.00 175.81 3mec s GLU 413 N -5.10 3.85 0.00 4.56 2.02 -1.26 -4.96 118.70 117.81 3mec s GLU 413 Ca 0.58 1.47 -0.14 0.00 0.02 0.00 0.00 54.97 56.90 3mec s GLU 413 Cb -0.13 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 31.88 3mec s GLU 413 CO 0.55 -0.41 0.30 1.67 0.02 0.00 0.00 175.26 177.38 3mec s TRP 414 N -1.83 -0.14 0.40 1.61 -2.14 -1.26 -0.81 118.94 114.77 3mec s TRP 414 Ca 0.65 0.14 0.03 0.00 2.66 0.00 0.00 56.10 59.59 3mec s TRP 414 Cb -0.20 0.08 -0.04 0.00 -3.10 0.00 0.00 33.47 30.22 3mec s TRP 414 CO 0.24 -0.42 0.08 -1.83 -2.66 0.00 0.00 176.95 172.37 3mec s GLU 415 N -1.71 1.89 -0.04 3.25 -1.05 0.49 -4.91 118.70 116.63 3mec s GLU 415 Ca -0.11 -2.14 0.06 0.00 -0.15 0.00 0.00 54.97 52.64 3mec s GLU 415 Cb -0.04 -0.88 -0.02 0.00 -0.44 0.00 0.00 34.13 32.76 3mec s GLU 415 CO 0.02 -0.36 -0.23 -0.06 0.95 0.00 0.00 175.26 175.58 3mec s PHE 416 N -3.16 2.46 0.03 4.83 0.08 -1.26 -0.88 117.98 120.07 3mec s PHE 416 Ca 0.25 -0.49 -0.03 0.00 0.12 0.00 0.00 56.93 56.78 3mec s PHE 416 Cb 0.04 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3mec s PHE 416 CO 0.13 -0.06 0.04 0.08 -0.10 0.00 0.00 175.22 175.30 3mec s VAL 417 N -0.44 0.14 -0.38 -0.44 1.01 -0.80 -4.88 120.40 114.61 3mec s VAL 417 Ca 0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 3mec s VAL 417 Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.46 3mec s VAL 417 CO 0.01 -0.64 0.46 0.20 0.00 0.00 0.00 175.10 175.14 3mec s ASN 418 N -2.05 6.24 -0.15 3.32 0.01 -1.26 -3.91 114.94 117.14 3mec s ASN 418 Ca -0.06 -0.35 -0.37 0.00 -0.71 0.00 0.00 52.86 51.37 3mec s ASN 418 Cb -0.02 -2.24 -0.14 0.00 0.41 0.00 0.00 41.25 39.26 3mec s ASN 418 CO -0.04 -0.52 1.78 0.41 -1.51 0.00 0.00 177.10 177.22 3mec n THR 419 N 5.43 0.40 -1.57 1.60 -1.04 -1.26 -4.82 114.28 113.02 3mec n THR 419 Ca -0.06 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 3mec n THR 419 Cb 0.48 -1.53 -0.04 0.00 -1.82 0.00 0.00 70.33 67.43 3mec n THR 419 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3mec n PRO 420 N 5.72 1.70 -0.12 -2.82 -0.02 -1.26 -4.80 135.00 133.40 3mec n PRO 420 Ca 0.24 0.42 0.27 0.00 -2.02 0.00 0.00 63.50 62.42 3mec n PRO 420 Cb 0.22 -3.14 0.70 0.00 -0.02 0.00 0.00 33.50 31.25 3mec n PRO 420 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3mec h PRO 421 N 15.27 0.00 -0.19 0.52 0.11 -2.01 0.38 132.00 146.08 3mec h PRO 421 Ca -0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 3mec h PRO 421 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mec h PRO 421 CO 1.00 0.00 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.45 3mec h LEU 422 N 0.00 0.56 -0.97 2.35 -0.00 -2.01 -3.05 115.31 112.19 3mec h LEU 422 Ca 0.39 -0.51 0.21 0.00 -0.00 0.00 0.00 57.88 57.97 3mec h LEU 422 Cb 1.83 -0.16 -0.12 0.00 -0.00 0.00 0.00 40.66 42.22 3mec h LEU 422 CO -0.00 0.96 0.55 0.58 -0.00 0.00 0.00 178.44 180.52 3mec h VAL 423 N 0.17 0.60 -0.48 1.22 2.07 -0.60 0.16 116.25 119.38 3mec h VAL 423 Ca 0.02 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3mec h VAL 423 Cb 0.84 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3mec h VAL 423 CO 0.06 0.11 0.28 0.50 0.02 0.00 0.00 177.57 178.54 3mec h LYS 424 N 0.61 0.53 -0.69 1.57 3.64 -1.47 -2.85 116.57 117.91 3mec h LYS 424 Ca 0.59 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.89 3mec h LYS 424 Cb 1.03 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 3mec h LYS 424 CO -0.44 0.35 0.23 1.25 -2.27 0.00 0.00 179.45 178.57 3mec h LEU 425 N 0.55 0.99 0.00 5.20 5.85 -0.62 -2.81 115.31 124.47 3mec h LEU 425 Ca 0.20 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3mec h LEU 425 Cb 0.04 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3mec h LEU 425 CO -0.10 0.92 0.00 0.79 -0.34 0.00 0.00 178.44 179.71 3mec n TRP 426 N -4.33 0.00 0.19 1.25 8.01 -0.57 -2.55 117.44 119.43 3mec n TRP 426 Ca 0.05 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.29 3mec n TRP 426 Cb 0.21 -0.44 0.08 0.00 -2.01 0.00 0.00 31.31 29.14 3mec n TRP 426 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3mec n TYR 427 N -1.44 0.16 -1.07 -5.99 4.01 -1.09 -4.78 117.16 106.95 3mec n TYR 427 Ca 0.08 -0.20 -0.32 0.00 -0.16 0.00 0.00 57.90 57.30 3mec n TYR 427 Cb 0.27 -0.01 0.13 0.00 -0.31 0.00 0.00 39.34 39.41 3mec n TYR 427 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3mec s GLN 428 N -0.89 1.65 0.00 -0.72 -2.07 -1.06 -4.93 119.66 111.64 3mec s GLN 428 Ca 0.15 1.57 0.20 0.00 -1.82 0.00 0.00 55.36 55.46 3mec s GLN 428 Cb 0.09 -1.80 0.16 0.00 -1.09 0.00 0.00 33.01 30.38 3mec s GLN 428 CO 0.13 -2.17 1.14 1.28 -1.32 0.00 0.00 175.29 174.35