#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dya s GLU 6 N 0.00 1.88 0.37 9.51 4.04 -1.26 -4.85 118.70 128.39 3dya s GLU 6 Ca 0.00 -1.82 -0.18 0.00 0.04 0.00 0.00 54.97 53.01 3dya s GLU 6 Cb 0.00 -1.80 -0.10 0.00 0.02 0.00 0.00 34.13 32.25 3dya s GLU 6 CO 0.00 0.20 0.84 0.95 -1.84 0.00 0.00 175.26 175.41 3dya s THR 7 N -2.55 4.53 -0.16 1.83 -4.23 -1.26 -5.02 115.64 108.78 3dya s THR 7 Ca 0.32 1.24 -0.24 0.00 -1.18 0.00 0.00 61.69 61.84 3dya s THR 7 Cb -0.00 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 3dya s THR 7 CO 0.17 -0.21 0.76 -0.69 -0.54 0.00 0.00 174.62 174.10 3dya s VAL 8 N -2.03 4.95 0.13 2.29 1.01 -1.26 -4.95 120.40 120.54 3dya s VAL 8 Ca 0.57 1.48 -0.31 0.00 0.00 0.00 0.00 61.98 63.72 3dya s VAL 8 Cb -0.10 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 3dya s VAL 8 CO 0.16 0.09 1.51 -2.16 0.00 0.00 0.00 175.10 174.70 3dya s PRO 9 N 1.82 4.25 0.09 2.72 0.04 -1.26 -4.40 135.00 138.26 3dya s PRO 9 Ca 0.36 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.69 3dya s PRO 9 Cb -0.17 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3dya s PRO 9 CO 0.13 -0.56 -0.01 0.08 0.04 0.00 0.00 177.00 176.68 3dya s VAL 10 N 1.33 3.98 0.12 -0.36 1.01 -1.26 -5.10 120.40 120.11 3dya s VAL 10 Ca 0.68 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3dya s VAL 10 Cb -0.41 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3dya s VAL 10 CO 0.31 0.13 -0.12 -0.54 0.00 0.00 0.00 175.10 174.87 3dya s LYS 11 N -2.27 0.96 0.55 2.72 1.02 -1.26 -4.85 119.74 116.62 3dya s LYS 11 Ca 0.25 -1.22 0.05 0.00 0.02 0.00 0.00 55.97 55.07 3dya s LYS 11 Cb -0.12 -0.76 0.06 0.00 -0.52 0.00 0.00 37.83 36.50 3dya s LYS 11 CO 0.18 0.14 0.76 -0.51 -0.92 0.00 0.00 175.35 175.00 3dya s LEU 12 N -2.49 3.27 0.74 3.17 1.43 -1.26 -4.73 118.68 118.82 3dya s LEU 12 Ca 0.08 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 3dya s LEU 12 Cb -0.04 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3dya s LEU 12 CO 0.02 -1.24 0.57 1.17 0.23 0.00 0.00 176.35 177.10 3dya n LYS 13 N -2.27 0.27 -0.35 1.70 4.81 -1.26 -4.90 118.16 116.17 3dya n LYS 13 Ca 0.12 0.14 0.25 0.00 -0.87 0.00 0.00 58.31 57.94 3dya n LYS 13 Cb 0.60 -1.88 0.49 0.00 0.02 0.00 0.00 35.03 34.27 3dya n LYS 13 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3dya h PRO 14 N -0.46 0.34 -0.00 1.64 0.13 -1.99 -3.27 132.00 128.38 3dya h PRO 14 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3dya h PRO 14 Cb 1.34 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dya h PRO 14 CO 0.42 0.22 -0.12 0.41 -0.23 0.00 0.00 178.00 178.71 3dya n GLY 15 N -1.36 4.95 3.63 1.56 0.00 -1.26 -4.99 105.19 107.71 3dya n GLY 15 Ca 0.31 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 3dya n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dya s MET 16 N -2.97 3.37 0.36 1.61 -1.94 -1.24 -5.12 119.30 113.38 3dya s MET 16 Ca 0.34 -0.42 0.04 0.00 -1.71 0.00 0.00 55.69 53.93 3dya s MET 16 Cb 0.30 -2.91 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 3dya s MET 16 CO 0.01 0.50 0.53 0.34 -0.01 0.00 0.00 175.02 176.38 3dya s ASP 17 N -0.31 5.99 1.22 3.03 -1.08 -1.26 -4.72 116.67 119.54 3dya s ASP 17 Ca 0.07 0.04 -0.18 0.00 -0.52 0.00 0.00 52.55 51.96 3dya s ASP 17 Cb -0.12 -1.47 0.29 0.00 -1.46 0.00 0.00 42.92 40.16 3dya s ASP 17 CO 0.02 -0.46 1.06 -0.83 0.52 0.00 0.00 175.17 175.47 3dya s GLY 18 N -4.15 1.53 0.37 2.66 0.00 -1.26 -4.97 107.32 101.50 3dya s GLY 18 Ca 0.44 -0.75 -0.26 0.00 0.00 0.00 0.00 44.72 44.15 3dya s GLY 18 CO 0.33 0.11 1.09 2.56 0.00 0.00 0.00 173.10 177.19 3dya s PRO 19 N -5.16 4.27 -0.42 2.90 0.04 -1.26 -4.98 135.00 130.38 3dya s PRO 19 Ca 0.69 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.49 3dya s PRO 19 Cb -0.13 -2.76 0.26 0.00 0.04 0.00 0.00 34.50 31.90 3dya s PRO 19 CO 0.58 -0.09 0.56 1.63 0.04 0.00 0.00 177.00 179.72 3dya n LYS 20 N 0.32 0.96 -4.24 4.56 5.02 -1.23 -1.79 118.16 121.76 3dya n LYS 20 Ca 0.03 -3.42 -0.35 0.00 -2.02 0.00 0.00 58.31 52.55 3dya n LYS 20 Cb 0.47 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 3dya n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dya s VAL 21 N -1.43 4.52 0.42 -0.18 1.01 -0.36 -4.89 120.40 119.50 3dya s VAL 21 Ca 0.36 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 3dya s VAL 21 Cb 0.18 -2.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 3dya s VAL 21 CO -0.10 0.57 1.28 -0.54 0.00 0.00 0.00 175.10 176.32 3dya s LYS 22 N -0.57 3.88 -0.05 2.72 1.02 -1.26 -4.17 119.74 121.32 3dya s LYS 22 Ca 0.10 2.10 -0.28 0.00 0.02 0.00 0.00 55.97 57.90 3dya s LYS 22 Cb -0.12 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3dya s LYS 22 CO 0.02 -0.54 0.92 -1.14 -0.92 0.00 0.00 175.35 173.68 3dya s GLN 23 N -2.35 4.49 0.51 1.68 2.00 -1.26 -4.55 119.66 120.17 3dya s GLN 23 Ca 0.59 1.27 -0.20 0.00 -2.00 0.00 0.00 55.36 55.03 3dya s GLN 23 Cb -0.37 -3.48 -0.07 0.00 0.80 0.00 0.00 33.01 29.89 3dya s GLN 23 CO 0.46 -0.10 1.06 -0.46 -0.50 0.00 0.00 175.29 175.75 3dya s TRP 24 N 1.25 2.94 0.41 1.67 -0.11 -1.26 -5.01 118.94 118.84 3dya s TRP 24 Ca 0.47 1.56 -0.26 0.00 1.22 0.00 0.00 56.10 59.09 3dya s TRP 24 Cb -0.19 -3.10 -0.09 0.00 -1.50 0.00 0.00 33.47 28.59 3dya s TRP 24 CO 0.23 -0.99 1.36 -2.14 -4.62 0.00 0.00 176.95 170.79 3dya s PRO 25 N -3.35 3.92 0.18 5.86 0.02 -1.26 -4.97 135.00 135.40 3dya s PRO 25 Ca 0.68 2.28 0.11 0.00 0.02 0.00 0.00 61.00 64.09 3dya s PRO 25 Cb -0.18 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 3dya s PRO 25 CO 0.23 -0.58 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.58 3dya s LEU 26 N -2.44 2.42 0.66 -5.54 1.43 -1.26 -5.09 118.68 108.86 3dya s LEU 26 Ca 0.57 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 3dya s LEU 26 Cb -0.41 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3dya s LEU 26 CO 0.53 0.11 1.05 0.42 0.23 0.00 0.00 176.35 178.69 3dya s THR 27 N -1.61 4.12 0.22 5.49 -4.23 -1.26 -4.86 115.64 113.51 3dya s THR 27 Ca 0.19 0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 61.36 3dya s THR 27 Cb -0.08 -3.48 0.17 0.00 1.34 0.00 0.00 72.50 70.45 3dya s THR 27 CO 0.09 -0.85 1.74 -0.08 -0.54 0.00 0.00 174.62 174.98 3dya h GLU 28 N -0.44 0.41 0.00 3.99 4.81 -2.00 -2.01 114.58 119.33 3dya h GLU 28 Ca -0.44 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 3dya h GLU 28 Cb 1.21 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3dya h GLU 28 CO 0.58 0.27 -0.19 1.05 -0.73 0.00 0.00 179.01 179.99 3dya h GLU 29 N 0.42 0.00 0.18 1.92 4.11 -1.99 -1.65 114.58 117.57 3dya h GLU 29 Ca 0.35 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.47 3dya h GLU 29 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 3dya h GLU 29 CO -0.35 0.19 -1.47 0.87 0.07 0.00 0.00 179.01 178.32 3dya h LYS 30 N 0.00 0.39 -0.29 1.06 1.57 -1.84 -2.05 116.57 115.40 3dya h LYS 30 Ca -0.00 -0.66 0.07 0.00 -1.87 0.00 0.00 60.65 58.18 3dya h LYS 30 Cb 0.41 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 3dya h LYS 30 CO 0.02 1.32 -0.18 0.82 -0.57 0.00 0.00 179.45 180.86 3dya h ILE 31 N -0.05 0.48 -0.92 1.86 2.04 -1.22 0.13 117.51 119.84 3dya h ILE 31 Ca -0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3dya h ILE 31 Cb 1.98 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3dya h ILE 31 CO 0.17 0.00 0.61 0.11 0.00 0.00 0.00 178.15 179.04 3dya h LYS 32 N -0.15 1.20 -0.14 2.37 1.57 -1.38 -1.47 116.57 118.56 3dya h LYS 32 Ca 0.15 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3dya h LYS 32 Cb 0.39 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3dya h LYS 32 CO -0.38 0.79 0.09 0.00 -0.57 0.00 0.00 179.45 179.37 3dya h ALA 33 N 1.43 0.17 -0.15 3.86 0.00 -0.84 -2.26 119.26 121.48 3dya h ALA 33 Ca 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3dya h ALA 33 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dya h ALA 33 CO -0.08 -0.33 -0.09 -0.07 0.00 0.00 0.00 179.25 178.68 3dya h LEU 34 N 0.17 0.21 0.12 0.00 3.38 -0.29 -1.71 115.31 117.19 3dya h LEU 34 Ca 0.05 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3dya h LEU 34 Cb 0.01 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dya h LEU 34 CO -0.01 0.33 -1.24 -0.37 0.09 0.00 0.00 178.44 177.24 3dya h VAL 35 N 0.22 1.49 0.21 1.22 -1.51 -1.17 -0.73 116.25 115.98 3dya h VAL 35 Ca 0.05 -3.04 0.00 0.00 -1.23 0.00 0.00 66.70 62.48 3dya h VAL 35 Cb 0.30 2.93 -0.03 0.00 -2.13 0.00 0.00 31.29 32.37 3dya h VAL 35 CO 0.02 0.89 -0.39 -0.33 -1.23 0.00 0.00 177.57 176.53 3dya h GLU 36 N 0.08 -0.62 -0.36 5.19 5.08 -1.17 0.37 114.58 123.16 3dya h GLU 36 Ca -0.14 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3dya h GLU 36 Cb 1.96 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 31.27 3dya h GLU 36 CO 0.20 -0.41 -0.27 0.82 -1.00 0.00 0.00 179.01 178.35 3dya h ILE 37 N -0.64 0.31 0.00 3.13 2.04 -1.36 -2.25 117.51 118.75 3dya h ILE 37 Ca -0.02 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3dya h ILE 37 Cb 0.60 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3dya h ILE 37 CO -0.14 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.55 3dya h THR 39 N 0.00 1.13 -0.05 0.00 2.02 -0.43 -2.20 112.91 113.38 3dya h THR 39 Ca -0.00 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.85 3dya h THR 39 Cb 0.90 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 3dya h THR 39 CO 0.06 0.12 -0.23 -0.33 0.37 0.00 0.00 175.52 175.50 3dya h GLU 40 N 0.10 -0.33 -0.58 6.66 4.39 -1.00 -2.42 114.58 121.41 3dya h GLU 40 Ca 0.05 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.82 3dya h GLU 40 Cb 0.12 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3dya h GLU 40 CO -0.01 -0.22 0.38 0.52 -1.16 0.00 0.00 179.01 178.53 3dya h MET 41 N -0.34 0.58 -0.09 2.33 2.86 -1.16 -1.43 114.93 117.68 3dya h MET 41 Ca 0.08 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3dya h MET 41 Cb 0.45 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3dya h MET 41 CO -0.25 0.38 -0.07 1.49 1.06 0.00 0.00 176.91 179.53 3dya h GLU 42 N 0.60 0.20 -0.79 1.72 4.81 -1.26 0.33 114.58 120.19 3dya h GLU 42 Ca 0.24 -0.10 0.17 0.00 -0.13 0.00 0.00 59.36 59.55 3dya h GLU 42 Cb 0.21 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.48 3dya h GLU 42 CO -0.07 0.60 0.26 0.87 -0.73 0.00 0.00 179.01 179.94 3dya h LYS 43 N -0.20 0.32 0.00 1.92 1.57 -0.89 -0.05 116.57 119.25 3dya h LYS 43 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dya h LYS 43 Cb 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3dya h LYS 43 CO 0.02 0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 3dya n GLU 44 N -5.10 0.37 -0.87 3.15 1.02 -0.60 -4.91 120.64 113.71 3dya n GLU 44 Ca 0.17 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3dya n GLU 44 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3dya n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dya n GLY 45 N 0.84 0.76 0.17 0.62 0.00 -0.03 -4.94 105.19 102.61 3dya n GLY 45 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 3dya n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dya h LYS 46 N 2.38 0.27 -5.04 1.61 1.57 -1.17 -3.42 116.57 112.76 3dya h LYS 46 Ca 0.00 -0.19 -0.33 0.00 -1.87 0.00 0.00 60.65 58.25 3dya h LYS 46 Cb 0.00 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.20 3dya h LYS 46 CO 0.00 0.81 -0.69 0.96 -0.57 0.00 0.00 179.45 179.95 3dya s ILE 47 N -3.73 1.09 0.02 1.86 -4.36 -1.23 0.48 121.20 115.33 3dya s ILE 47 Ca -0.04 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.33 3dya s ILE 47 Cb 0.12 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 3dya s ILE 47 CO 0.81 -0.62 -0.08 -0.44 0.24 0.00 0.00 174.94 174.85 3dya s SER 48 N -3.20 0.90 0.57 4.36 0.01 -0.05 -4.35 113.70 111.93 3dya s SER 48 Ca 0.20 -0.34 -0.21 0.00 1.31 0.00 0.00 55.95 56.91 3dya s SER 48 Cb 0.04 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 3dya s SER 48 CO 0.03 -0.05 1.35 -0.54 0.41 0.00 0.00 173.24 174.45 3dya s LYS 49 N -0.87 3.02 0.27 12.44 1.02 -1.26 -0.96 119.74 133.40 3dya s LYS 49 Ca -0.03 2.22 0.04 0.00 0.02 0.00 0.00 55.97 58.23 3dya s LYS 49 Cb -0.06 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 3dya s LYS 49 CO 0.00 -1.28 0.00 0.96 -0.92 0.00 0.00 175.35 174.12 3dya s ILE 50 N -1.31 1.22 0.53 2.17 -4.36 -1.06 -4.81 121.20 113.59 3dya s ILE 50 Ca 0.74 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 3dya s ILE 50 Cb -0.40 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 40.86 3dya s ILE 50 CO 0.47 -0.23 0.54 -0.83 0.24 0.00 0.00 174.94 175.13 3dya s GLY 51 N -3.39 2.10 0.00 6.27 0.00 -1.26 -4.78 107.32 106.26 3dya s GLY 51 Ca 0.31 -1.68 0.19 0.00 0.00 0.00 0.00 44.72 43.54 3dya s GLY 51 CO 0.11 -1.80 1.61 -1.55 0.00 0.00 0.00 173.10 171.48 3dya n PRO 52 N -1.90 0.04 0.00 2.90 -0.04 -1.26 -2.02 135.00 132.73 3dya n PRO 52 Ca 0.06 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 3dya n PRO 52 Cb 0.63 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 33.04 3dya n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3dya n GLU 53 N -1.47 0.19 -3.16 0.54 0.00 -1.26 -4.34 120.64 111.14 3dya n GLU 53 Ca 0.05 0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.91 3dya n GLU 53 Cb 0.21 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.08 3dya n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3dya s ASN 54 N -2.70 6.27 0.00 -1.84 3.84 -0.85 -4.97 114.94 114.69 3dya s ASN 54 Ca 0.15 -0.55 0.15 0.00 0.21 0.00 0.00 52.86 52.82 3dya s ASN 54 Cb 0.13 -2.30 0.56 0.00 -0.55 0.00 0.00 41.25 39.09 3dya s ASN 54 CO 0.31 -0.78 1.41 -0.81 -2.79 0.00 0.00 177.10 174.44 3dya n PRO 55 N 6.14 1.64 -3.54 0.43 -0.04 -1.26 -4.95 135.00 133.42 3dya n PRO 55 Ca -0.04 -0.98 -0.28 0.00 -0.04 0.00 0.00 63.50 62.17 3dya n PRO 55 Cb 0.47 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 3dya n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dya s TYR 56 N -1.72 3.48 -0.12 0.54 2.02 -1.26 -4.83 117.35 115.45 3dya s TYR 56 Ca 0.26 0.46 -0.20 0.00 -0.37 0.00 0.00 57.07 57.23 3dya s TYR 56 Cb 0.14 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 3dya s TYR 56 CO 0.20 0.29 0.49 1.21 -1.57 0.00 0.00 175.55 176.17 3dya s ASN 57 N -3.20 -0.47 -0.00 2.29 2.47 -0.74 -4.64 114.94 110.65 3dya s ASN 57 Ca 0.41 0.72 0.04 0.00 0.42 0.00 0.00 52.86 54.45 3dya s ASN 57 Cb -0.11 0.75 -0.01 0.00 -1.45 0.00 0.00 41.25 40.43 3dya s ASN 57 CO 0.30 -0.33 -0.12 -0.89 -3.72 0.00 0.00 177.10 172.34 3dya s THR 58 N -0.43 0.93 0.47 -5.21 2.01 -0.18 -1.22 115.64 112.01 3dya s THR 58 Ca -0.06 -0.55 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 3dya s THR 58 Cb -0.03 -0.78 -0.09 0.00 0.01 0.00 0.00 72.50 71.60 3dya s THR 58 CO 0.03 0.22 1.02 -2.84 -0.69 0.00 0.00 174.62 172.36 3dya s PRO 59 N -0.38 3.90 0.07 4.92 0.02 -1.26 -4.30 135.00 137.97 3dya s PRO 59 Ca 0.04 1.30 0.07 0.00 0.02 0.00 0.00 61.00 62.43 3dya s PRO 59 Cb -0.05 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 3dya s PRO 59 CO -0.00 -0.34 -0.19 0.14 -0.33 0.00 0.00 177.00 176.27 3dya s VAL 60 N -2.04 1.57 0.09 3.83 -7.23 -1.26 -0.99 120.40 114.37 3dya s VAL 60 Ca 0.66 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 3dya s VAL 60 Cb -0.15 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 3dya s VAL 60 CO 0.19 0.05 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.64 3dya s PHE 61 N -0.98 0.76 -0.16 2.82 0.40 0.27 -4.89 117.98 116.20 3dya s PHE 61 Ca 0.06 -1.04 -0.02 0.00 -0.60 0.00 0.00 56.93 55.32 3dya s PHE 61 Cb -0.09 -0.47 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 3dya s PHE 61 CO 0.03 -0.31 -0.08 0.00 0.70 0.00 0.00 175.22 175.56 3dya s ALA 62 N -3.82 2.81 0.39 5.36 0.00 -1.26 -0.47 121.76 124.77 3dya s ALA 62 Ca 0.13 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3dya s ALA 62 Cb 0.07 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3dya s ALA 62 CO -0.05 0.09 0.09 0.96 0.00 0.00 0.00 175.76 176.84 3dya s ILE 63 N 0.60 0.90 0.00 0.00 -4.36 -0.30 -4.88 121.20 113.16 3dya s ILE 63 Ca -0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 3dya s ILE 63 Cb -0.15 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.07 3dya s ILE 63 CO 0.03 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.50 3dya n LYS 64 N -0.88 3.01 0.00 0.37 4.76 -1.26 -0.19 118.16 123.96 3dya n LYS 64 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3dya n LYS 64 Cb 0.66 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 3dya n LYS 64 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3dya n SER 68 N 0.00 0.00 0.01 4.39 3.41 -1.26 -4.72 113.62 115.45 3dya n SER 68 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3dya n SER 68 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3dya n SER 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dya n THR 69 N 0.00 0.37 -2.12 6.66 -2.24 -1.26 -4.94 114.28 110.76 3dya n THR 69 Ca 0.00 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 3dya n THR 69 Cb 0.00 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3dya n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dya s LYS 70 N -3.33 4.22 0.52 -0.78 1.02 -1.26 -5.02 119.74 115.11 3dya s LYS 70 Ca -0.06 2.07 -0.18 0.00 0.02 0.00 0.00 55.97 57.82 3dya s LYS 70 Cb 0.12 -3.77 -0.07 0.00 -0.52 0.00 0.00 37.83 33.59 3dya s LYS 70 CO 0.87 -0.72 1.03 -1.58 -0.92 0.00 0.00 175.35 174.02 3dya s TRP 71 N 3.23 3.07 -0.06 3.18 0.52 -1.26 -4.46 118.94 123.16 3dya s TRP 71 Ca 0.68 1.55 -0.06 0.00 0.02 0.00 0.00 56.10 58.28 3dya s TRP 71 Cb -0.32 -3.00 0.02 0.00 -1.15 0.00 0.00 33.47 29.02 3dya s TRP 71 CO 0.27 -0.81 0.18 0.50 0.02 0.00 0.00 176.95 177.11 3dya s ARG 72 N -3.59 0.23 -0.03 4.98 3.52 0.73 -4.97 118.95 119.81 3dya s ARG 72 Ca 0.65 0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 3dya s ARG 72 Cb -0.15 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 3dya s ARG 72 CO 0.26 -0.03 0.99 0.21 -0.81 0.00 0.00 175.30 175.92 3dya s LYS 73 N 0.00 4.51 -0.21 5.12 2.20 -1.26 -1.14 119.74 128.96 3dya s LYS 73 Ca -0.01 1.41 0.02 0.00 -0.36 0.00 0.00 55.97 57.03 3dya s LYS 73 Cb -0.02 -3.49 0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3dya s LYS 73 CO 0.00 -0.14 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.53 3dya s LEU 74 N 1.34 2.62 -0.18 5.43 2.96 0.39 -4.95 118.68 126.29 3dya s LEU 74 Ca 0.51 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 53.34 3dya s LEU 74 Cb -0.20 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3dya s LEU 74 CO 0.25 -0.09 0.26 -0.69 -1.32 0.00 0.00 176.35 174.76 3dya s VAL 75 N 1.24 5.32 -0.93 1.68 1.01 -1.26 -0.56 120.40 126.89 3dya s VAL 75 Ca -0.01 0.47 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 3dya s VAL 75 Cb -0.16 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.71 3dya s VAL 75 CO -0.09 0.37 1.23 -0.62 0.00 0.00 0.00 175.10 175.99 3dya s ASP 76 N 0.59 6.53 -0.21 3.32 2.15 -0.16 -4.78 116.67 124.11 3dya s ASP 76 Ca 0.14 -1.71 0.06 0.00 0.43 0.00 0.00 52.55 51.48 3dya s ASP 76 Cb -0.13 -2.46 0.49 0.00 -0.30 0.00 0.00 42.92 40.52 3dya s ASP 76 CO 0.03 -1.27 1.43 0.49 -0.17 0.00 0.00 175.17 175.69 3dya n PHE 77 N 7.52 1.63 -0.28 -5.34 3.72 -1.26 -4.09 117.46 119.35 3dya n PHE 77 Ca 0.24 -0.86 0.02 0.00 -0.05 0.00 0.00 57.45 56.79 3dya n PHE 77 Cb 0.49 -0.52 0.15 0.00 -0.94 0.00 0.00 39.48 38.67 3dya n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dya h ARG 78 N 1.74 0.77 -0.11 -1.08 3.08 -1.89 0.24 114.38 117.13 3dya h ARG 78 Ca 0.18 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3dya h ARG 78 Cb 1.79 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3dya h ARG 78 CO 0.49 0.51 -0.20 0.93 -1.07 0.00 0.00 179.97 180.63 3dya h GLU 79 N 0.80 0.33 -0.90 0.04 4.39 -2.00 -2.64 114.58 114.60 3dya h GLU 79 Ca 0.38 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3dya h GLU 79 Cb 0.31 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 3dya h GLU 79 CO -0.23 0.80 0.59 1.25 -1.16 0.00 0.00 179.01 180.27 3dya h LEU 80 N -0.09 1.02 0.19 1.33 5.85 -1.84 -0.91 115.31 120.87 3dya h LEU 80 Ca 0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3dya h LEU 80 Cb 0.78 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3dya h LEU 80 CO 0.05 0.74 -0.09 0.78 -0.34 0.00 0.00 178.44 179.57 3dya h ASN 81 N 1.21 -0.22 -0.45 1.25 2.35 -0.51 -2.34 115.58 116.87 3dya h ASN 81 Ca 0.33 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.16 3dya h ASN 81 Cb -0.13 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 3dya h ASN 81 CO -0.07 -0.14 0.02 0.11 -1.65 0.00 0.00 177.43 175.69 3dya h LYS 82 N -0.27 0.13 0.00 0.81 1.57 -1.25 -2.28 116.57 115.27 3dya h LYS 82 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3dya h LYS 82 Cb 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3dya h LYS 82 CO 0.04 0.08 0.00 0.54 -0.57 0.00 0.00 179.45 179.55 3dya n ARG 83 N -5.19 0.37 -0.15 3.15 1.74 -0.37 -2.89 116.66 113.31 3dya n ARG 83 Ca 0.04 0.07 0.02 0.00 -0.77 0.00 0.00 57.85 57.21 3dya n ARG 83 Cb 0.24 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.20 3dya n ARG 83 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3dya n THR 84 N -1.13 0.59 0.27 0.55 5.66 -0.89 -4.22 114.28 115.10 3dya n THR 84 Ca 0.10 -0.67 0.13 0.00 -3.05 0.00 0.00 64.05 60.56 3dya n THR 84 Cb 0.09 0.50 0.75 0.00 -1.55 0.00 0.00 70.33 70.12 3dya n THR 84 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 3dya h GLN 85 N 0.00 0.00 -0.39 1.09 4.15 -1.33 -1.75 115.11 116.87 3dya h GLN 85 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3dya h GLN 85 Cb 1.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 3dya h GLN 85 CO 0.00 0.10 -0.28 0.22 -1.93 0.00 0.00 178.83 176.94 3dya h ASP 86 N 0.00 0.86 0.40 -0.69 -0.00 -1.89 -2.18 116.42 112.93 3dya h ASP 86 Ca -0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 57.03 56.67 3dya h ASP 86 Cb 0.28 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 39.37 3dya h ASP 86 CO 0.01 1.08 -0.19 0.15 -0.00 0.00 0.00 179.24 180.29 3dya h PHE 87 N 0.71 -0.50 0.00 0.28 3.57 -1.61 -0.58 116.94 118.81 3dya h PHE 87 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dya h PHE 87 Cb 0.82 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3dya h PHE 87 CO 0.05 -0.31 0.00 0.11 -2.23 0.00 0.00 178.31 175.92 3dya h TRP 88 N -0.75 0.00 0.00 0.41 5.08 -1.63 0.11 115.95 119.17 3dya h TRP 88 Ca -0.06 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.68 3dya h TRP 88 Cb 0.42 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.54 3dya h TRP 88 CO 0.06 0.00 -1.70 -1.91 -1.28 0.00 0.00 178.44 173.60 3dya n GLU 89 N -2.47 0.40 -0.00 0.12 2.13 -0.82 -3.03 120.64 116.97 3dya n GLU 89 Ca 0.03 0.17 -0.22 0.00 0.66 0.00 0.00 57.16 57.81 3dya n GLU 89 Cb 0.33 -1.18 -0.14 0.00 0.27 0.00 0.00 31.44 30.73 3dya n GLU 89 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 3dya h VAL 90 N -0.70 0.82 0.02 6.31 3.04 -1.58 -3.06 116.25 121.11 3dya h VAL 90 Ca -0.36 -2.35 -0.03 0.00 -1.01 0.00 0.00 66.70 62.95 3dya h VAL 90 Cb 1.23 2.55 0.00 0.00 -2.01 0.00 0.00 31.29 33.07 3dya h VAL 90 CO -0.22 0.75 -0.12 -0.61 -1.01 0.00 0.00 177.57 176.36 3dya h GLN 91 N -0.20 0.05 -0.01 4.17 4.15 -0.99 -3.39 115.11 118.88 3dya h GLN 91 Ca -0.37 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 3dya h GLN 91 Cb 1.85 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.57 3dya h GLN 91 CO 0.04 1.01 -0.27 1.28 -1.93 0.00 0.00 178.83 178.97 3dya n LEU 92 N -4.55 2.58 -4.61 -2.39 4.32 0.38 -5.04 117.00 107.70 3dya n LEU 92 Ca -0.10 -3.53 -0.44 0.00 -0.02 0.00 0.00 56.01 51.92 3dya n LEU 92 Cb 0.52 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.82 3dya n LEU 92 CO 0.36 1.09 0.62 0.61 -1.22 0.00 0.00 177.39 178.84 3dya n GLY 93 N -1.26 -0.14 3.55 -0.72 0.00 -1.16 -4.73 105.19 100.73 3dya n GLY 93 Ca 0.18 0.28 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 3dya n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dya s ILE 94 N -1.11 5.28 0.31 -0.61 1.01 -1.26 -5.03 121.20 119.78 3dya s ILE 94 Ca 0.59 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 3dya s ILE 94 Cb -0.65 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 3dya s ILE 94 CO 0.60 0.05 1.19 -2.16 0.00 0.00 0.00 174.94 174.62 3dya s PRO 95 N 1.76 4.50 -0.15 2.79 0.04 -1.26 -5.00 135.00 137.68 3dya s PRO 95 Ca 0.07 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 3dya s PRO 95 Cb -0.17 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 3dya s PRO 95 CO 0.11 0.02 0.28 -1.58 0.04 0.00 0.00 177.00 175.87 3dya s HIS 96 N -1.16 3.49 -0.05 0.56 2.46 -1.26 -4.97 115.29 114.36 3dya s HIS 96 Ca 0.47 0.61 -0.24 0.00 0.47 0.00 0.00 55.06 56.36 3dya s HIS 96 Cb -0.35 -2.30 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 3dya s HIS 96 CO 0.46 0.31 0.73 -1.25 -2.47 0.00 0.00 174.74 172.52 3dya s PRO 97 N 0.24 4.45 0.48 2.88 0.04 -1.26 -4.97 135.00 136.86 3dya s PRO 97 Ca 0.16 0.94 0.29 0.00 0.04 0.00 0.00 61.00 62.43 3dya s PRO 97 Cb -0.13 -3.44 0.94 0.00 0.04 0.00 0.00 34.50 31.92 3dya s PRO 97 CO 0.04 0.09 1.82 0.00 0.04 0.00 0.00 177.00 178.99 3dya h ALA 98 N 6.61 1.00 0.00 8.56 0.00 -1.94 -3.15 119.26 130.34 3dya h ALA 98 Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3dya h ALA 98 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dya h ALA 98 CO 0.75 0.00 -0.20 0.78 0.00 0.00 0.00 179.25 180.58 3dya h GLY 99 N 2.89 0.00 0.57 0.00 0.00 -1.96 -3.35 103.07 101.22 3dya h GLY 99 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3dya h GLY 99 CO 0.00 0.00 0.19 -2.00 0.00 0.00 0.00 176.54 174.73 3dya h LEU 100 N 0.00 0.21 -1.52 3.11 5.85 -1.86 -0.02 115.31 121.08 3dya h LEU 100 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3dya h LEU 100 Cb 0.85 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3dya h LEU 100 CO 0.03 0.15 0.00 0.07 -0.34 0.00 0.00 178.44 178.34 3dya h LYS 101 N 0.37 0.00 -0.00 1.25 2.10 -1.71 -2.82 116.57 115.76 3dya h LYS 101 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3dya h LYS 101 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3dya h LYS 101 CO -0.23 0.00 -0.14 1.63 -2.00 0.00 0.00 179.45 178.71 3dya n LYS 102 N -2.53 0.70 -2.64 0.07 5.02 -0.02 -2.96 118.16 115.79 3dya n LYS 102 Ca -0.00 -0.28 -0.31 0.00 -2.02 0.00 0.00 58.31 55.70 3dya n LYS 102 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3dya n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dya s LYS 103 N -2.49 3.89 0.12 1.97 -0.14 -1.07 -4.55 119.74 117.47 3dya s LYS 103 Ca 0.28 0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 55.48 3dya s LYS 103 Cb 0.20 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 3dya s LYS 103 CO 0.49 -0.14 1.53 -0.22 -0.76 0.00 0.00 175.35 176.24 3dya h LYS 104 N 1.16 0.73 -3.99 1.68 3.64 -1.67 -2.64 116.57 115.47 3dya h LYS 104 Ca -0.47 -0.27 -0.32 0.00 -1.27 0.00 0.00 60.65 58.31 3dya h LYS 104 Cb 1.19 -0.04 -0.31 0.00 -0.41 0.00 0.00 32.23 32.66 3dya h LYS 104 CO 0.63 0.87 -0.75 -1.12 -2.27 0.00 0.00 179.45 176.81 3dya s SER 105 N -6.33 0.47 -0.11 4.20 0.01 -0.87 -4.28 113.70 106.80 3dya s SER 105 Ca -0.13 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.09 3dya s SER 105 Cb 0.10 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.20 3dya s SER 105 CO 0.81 -0.01 -0.14 -0.69 0.41 0.00 0.00 173.24 173.61 3dya s VAL 106 N 0.36 1.45 -0.11 3.43 1.01 0.06 -1.84 120.40 124.75 3dya s VAL 106 Ca -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3dya s VAL 106 Cb -0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3dya s VAL 106 CO -0.01 0.43 0.01 -0.89 0.00 0.00 0.00 175.10 174.65 3dya s THR 107 N 1.04 4.38 -0.23 3.92 2.01 -0.01 0.10 115.64 126.85 3dya s THR 107 Ca -0.06 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3dya s THR 107 Cb -0.15 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3dya s THR 107 CO -0.02 0.57 0.05 -0.69 -0.69 0.00 0.00 174.62 173.84 3dya s VAL 108 N -0.55 4.32 -0.08 3.82 1.01 -1.26 -1.04 120.40 126.61 3dya s VAL 108 Ca 0.10 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3dya s VAL 108 Cb -0.12 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3dya s VAL 108 CO 0.02 0.38 -0.24 -0.76 0.00 0.00 0.00 175.10 174.50 3dya s LEU 109 N 1.28 2.09 -0.16 3.92 1.43 -0.40 -4.97 118.68 121.87 3dya s LEU 109 Ca 0.05 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3dya s LEU 109 Cb -0.15 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3dya s LEU 109 CO 0.03 0.20 1.16 -0.62 0.23 0.00 0.00 176.35 177.34 3dya s ASP 110 N 0.13 7.04 -0.07 2.29 -1.08 -1.26 -0.23 116.67 123.49 3dya s ASP 110 Ca -0.12 1.60 0.10 0.00 -0.52 0.00 0.00 52.55 53.61 3dya s ASP 110 Cb -0.16 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.90 3dya s ASP 110 CO 0.07 -0.67 1.05 1.33 0.52 0.00 0.00 175.17 177.46 3dya n VAL 111 N 5.14 1.29 0.29 1.11 0.24 0.48 -4.46 118.33 122.42 3dya n VAL 111 Ca 0.12 -1.49 0.17 0.00 -2.04 0.00 0.00 64.34 61.10 3dya n VAL 111 Cb 0.46 0.15 0.83 0.00 -1.47 0.00 0.00 33.84 33.80 3dya n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3dya h GLY 112 N 0.00 0.00 2.00 7.63 0.00 -1.86 -2.04 103.07 108.80 3dya h GLY 112 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3dya h GLY 112 CO 0.00 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 175.91 3dya h ASP 113 N 0.00 0.00 -0.98 0.19 5.19 -1.91 -2.94 116.42 115.96 3dya h ASP 113 Ca 0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3dya h ASP 113 Cb 0.18 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 3dya h ASP 113 CO 0.00 0.08 0.64 0.00 -3.12 0.00 0.00 179.24 176.84 3dya h ALA 114 N 1.92 1.41 0.00 3.45 0.00 -1.61 -3.10 119.26 121.33 3dya h ALA 114 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3dya h ALA 114 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dya h ALA 114 CO 0.01 0.46 -0.38 1.88 0.00 0.00 0.00 179.25 181.22 3dya h TYR 115 N 1.17 0.00 0.00 0.00 0.99 -1.73 -3.08 116.97 114.32 3dya h TYR 115 Ca 0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.15 3dya h TYR 115 Cb 0.13 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.86 3dya h TYR 115 CO -0.00 0.38 0.00 1.19 -0.00 0.00 0.00 178.16 179.73 3dya n PHE 116 N -3.89 0.00 0.21 4.88 3.72 -1.17 -1.83 117.46 119.38 3dya n PHE 116 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3dya n PHE 116 Cb 0.44 -0.12 0.13 0.00 -0.94 0.00 0.00 39.48 38.99 3dya n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3dya n SER 117 N -1.12 2.73 -4.01 4.37 7.64 -1.17 -4.90 113.62 117.16 3dya n SER 117 Ca 0.09 -1.81 -0.30 0.00 1.01 0.00 0.00 58.87 57.86 3dya n SER 117 Cb 0.07 -0.15 -0.16 0.00 -1.01 0.00 0.00 64.21 62.96 3dya n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dya s VAL 118 N -1.13 1.55 0.45 0.44 1.01 -0.76 -5.07 120.40 116.89 3dya s VAL 118 Ca 0.24 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 3dya s VAL 118 Cb 0.14 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 3dya s VAL 118 CO 0.20 0.39 1.07 -2.16 0.00 0.00 0.00 175.10 174.60 3dya s PRO 119 N 1.48 3.92 0.03 2.72 0.04 -1.26 -0.81 135.00 141.12 3dya s PRO 119 Ca 0.04 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 3dya s PRO 119 Cb -0.14 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 3dya s PRO 119 CO -0.10 -0.35 0.45 -1.17 0.04 0.00 0.00 177.00 175.87 3dya s LEU 120 N -3.05 4.48 -0.37 -3.56 2.96 -0.10 -4.64 118.68 114.40 3dya s LEU 120 Ca 0.63 1.04 -0.42 0.00 -0.22 0.00 0.00 54.13 55.15 3dya s LEU 120 Cb -0.22 -2.72 -0.17 0.00 0.50 0.00 0.00 46.19 43.59 3dya s LEU 120 CO 0.26 0.29 1.81 -0.67 -1.32 0.00 0.00 176.35 176.73 3dya n ASP 121 N 1.69 1.85 0.24 3.68 2.03 -1.26 -4.81 116.55 119.97 3dya n ASP 121 Ca -0.12 0.98 0.14 0.00 0.52 0.00 0.00 54.79 56.30 3dya n ASP 121 Cb 0.52 -1.06 0.78 0.00 -0.72 0.00 0.00 41.12 40.65 3dya n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3dya h GLU 122 N 7.47 0.00 0.00 -0.67 4.57 -1.94 0.34 114.58 124.35 3dya h GLU 122 Ca -0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3dya h GLU 122 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3dya h GLU 122 CO 0.99 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.57 3dya n ASP 123 N -4.13 0.00 -0.01 1.04 8.00 -1.26 -3.44 116.55 116.75 3dya n ASP 123 Ca -0.01 0.29 0.10 0.00 0.71 0.00 0.00 54.79 55.88 3dya n ASP 123 Cb 0.19 -0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 3dya n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3dya n PHE 124 N -1.43 0.00 -0.27 1.24 7.35 0.12 -4.64 117.46 119.83 3dya n PHE 124 Ca 0.09 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.93 3dya n PHE 124 Cb 0.30 -0.38 0.42 0.00 0.35 0.00 0.00 39.48 40.17 3dya n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dya h ARG 125 N 0.00 0.57 -0.22 -4.13 3.08 -1.49 -2.28 114.38 109.91 3dya h ARG 125 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3dya h ARG 125 Cb 0.83 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3dya h ARG 125 CO 0.00 0.38 0.14 1.57 -1.07 0.00 0.00 179.97 180.99 3dya h LYS 126 N 0.59 0.23 0.00 0.04 2.10 -1.82 -2.07 116.57 115.64 3dya h LYS 126 Ca 0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 3dya h LYS 126 Cb 0.91 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3dya h LYS 126 CO -0.22 0.15 0.00 0.66 -2.00 0.00 0.00 179.45 178.04 3dya n TYR 127 N -4.50 0.03 -0.15 0.07 4.01 -0.86 -2.49 117.16 113.27 3dya n TYR 127 Ca 0.01 0.01 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 3dya n TYR 127 Cb 0.12 -0.52 0.29 0.00 -0.31 0.00 0.00 39.34 38.92 3dya n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dya n THR 128 N -1.53 1.34 -1.72 -0.72 -2.24 -0.78 -4.69 114.28 103.95 3dya n THR 128 Ca 0.05 -0.93 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 3dya n THR 128 Cb 0.23 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3dya n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dya n ALA 129 N 0.98 1.72 -2.62 6.98 0.00 -1.04 -4.26 120.51 122.27 3dya n ALA 129 Ca 0.21 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.93 3dya n ALA 129 Cb 0.70 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 3dya n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3dya s PHE 130 N -0.71 0.38 -0.07 0.00 -0.71 -0.56 -1.01 117.98 115.30 3dya s PHE 130 Ca 0.59 -0.76 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 3dya s PHE 130 Cb -0.55 -0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.17 3dya s PHE 130 CO 0.58 -0.65 -0.12 0.99 -1.34 0.00 0.00 175.22 174.68 3dya s THR 131 N -3.95 1.15 -0.32 -4.49 2.01 -1.26 -1.52 115.64 107.27 3dya s THR 131 Ca 0.15 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 3dya s THR 131 Cb 0.04 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 3dya s THR 131 CO -0.03 0.36 0.59 -0.63 -0.69 0.00 0.00 174.62 174.22 3dya s ILE 132 N 0.81 4.97 0.87 1.82 1.01 0.80 -4.72 121.20 126.76 3dya s ILE 132 Ca -0.12 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.12 3dya s ILE 132 Cb -0.15 -3.98 0.11 0.00 0.01 0.00 0.00 42.46 38.45 3dya s ILE 132 CO 0.02 -0.15 1.15 -2.16 0.00 0.00 0.00 174.94 173.80 3dya s PRO 133 N 2.53 1.49 0.00 2.79 0.04 -1.26 -0.79 135.00 139.80 3dya s PRO 133 Ca 0.23 0.23 0.07 0.00 0.04 0.00 0.00 61.00 61.56 3dya s PRO 133 Cb -0.15 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3dya s PRO 133 CO 0.12 -1.95 -0.21 0.45 0.04 0.00 0.00 177.00 175.46 3dya s SER 134 N -4.24 3.54 0.18 6.66 0.15 -1.26 -4.86 113.70 113.87 3dya s SER 134 Ca 0.63 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 56.57 3dya s SER 134 Cb -0.13 -0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 63.55 3dya s SER 134 CO 0.52 0.30 1.36 -0.63 1.20 0.00 0.00 173.24 175.99 3dya s ILE 135 N -0.76 3.12 -1.67 6.45 1.01 -1.26 -2.88 121.20 125.20 3dya s ILE 135 Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3dya s ILE 135 Cb -0.10 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3dya s ILE 135 CO 0.02 0.11 0.00 -3.20 0.00 0.00 0.00 174.94 171.87 3dya n ASN 136 N 2.99 -4.93 -3.99 3.58 5.15 -1.26 -2.84 115.26 113.97 3dya n ASN 136 Ca 0.08 0.23 -0.31 0.00 -0.60 0.00 0.00 54.58 53.98 3dya n ASN 136 Cb 0.42 -4.26 0.01 0.00 -0.53 0.00 0.00 39.78 35.42 3dya n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3dya n ASN 137 N -1.52 -3.49 0.10 1.20 3.02 -1.14 -4.89 115.26 108.54 3dya n ASN 137 Ca -0.19 -0.88 -0.12 0.00 -0.03 0.00 0.00 54.58 53.35 3dya n ASN 137 Cb 0.62 -3.48 -0.08 0.00 -0.61 0.00 0.00 39.78 36.24 3dya n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3dya h GLU 138 N -1.87 -0.28 -6.22 3.52 4.81 -1.76 -3.44 114.58 109.34 3dya h GLU 138 Ca -0.59 0.02 -0.55 0.00 -0.13 0.00 0.00 59.36 58.11 3dya h GLU 138 Cb 1.38 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.75 3dya h GLU 138 CO 0.69 0.09 -0.59 0.95 -0.73 0.00 0.00 179.01 179.42 3dya s THR 139 N -4.22 4.07 0.53 0.32 -4.23 -1.26 -5.02 115.64 105.83 3dya s THR 139 Ca -0.14 -1.48 0.22 0.00 -1.18 0.00 0.00 61.69 59.11 3dya s THR 139 Cb 0.02 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 71.05 3dya s THR 139 CO 0.54 -0.27 2.07 -0.65 -0.54 0.00 0.00 174.62 175.76 3dya h PRO 140 N 1.97 0.00 0.00 3.99 0.11 -1.97 -3.41 132.00 132.68 3dya h PRO 140 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dya h PRO 140 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dya h PRO 140 CO 0.61 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 3dya n GLY 141 N -1.58 -0.81 3.60 -0.55 0.00 -1.26 -4.76 105.19 99.83 3dya n GLY 141 Ca 0.04 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 3dya n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dya s ILE 142 N -3.12 5.11 -0.15 -0.61 1.01 0.03 -4.80 121.20 118.66 3dya s ILE 142 Ca 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 60.65 61.25 3dya s ILE 142 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3dya s ILE 142 CO 0.00 0.07 0.07 -0.13 0.00 0.00 0.00 174.94 174.95 3dya s ARG 143 N 2.22 3.67 0.05 2.79 1.81 -1.26 -0.14 118.95 128.09 3dya s ARG 143 Ca 0.18 -0.30 -0.01 0.00 -1.72 0.00 0.00 55.73 53.89 3dya s ARG 143 Cb -0.16 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 31.17 3dya s ARG 143 CO 0.10 0.48 -0.03 0.71 -0.68 0.00 0.00 175.30 175.88 3dya s TYR 144 N -0.21 0.51 0.22 -0.53 2.02 -0.57 -2.55 117.35 116.24 3dya s TYR 144 Ca 0.08 -1.00 0.03 0.00 -0.37 0.00 0.00 57.07 55.82 3dya s TYR 144 Cb -0.12 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.02 3dya s TYR 144 CO 0.01 -0.35 -0.00 1.14 -1.57 0.00 0.00 175.55 174.79 3dya s GLN 145 N -3.61 1.30 0.11 -0.62 -2.07 -0.13 -1.50 119.66 113.14 3dya s GLN 145 Ca 0.04 -1.65 -0.20 0.00 -1.82 0.00 0.00 55.36 51.73 3dya s GLN 145 Cb 0.06 -0.55 -0.07 0.00 -1.09 0.00 0.00 33.01 31.35 3dya s GLN 145 CO -0.09 -0.11 0.61 0.71 -1.32 0.00 0.00 175.29 175.10 3dya s TYR 146 N -3.46 3.79 -1.11 9.60 1.51 -1.26 -0.87 117.35 125.55 3dya s TYR 146 Ca 0.28 1.32 0.19 0.00 -1.01 0.00 0.00 57.07 57.85 3dya s TYR 146 Cb 0.06 -2.54 -0.16 0.00 -0.11 0.00 0.00 41.96 39.21 3dya s TYR 146 CO 0.08 0.54 0.85 0.09 -1.11 0.00 0.00 175.55 176.00 3dya n ASN 147 N 1.53 1.12 -4.25 2.29 3.02 0.18 -4.70 115.26 114.44 3dya n ASN 147 Ca -0.09 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.26 3dya n ASN 147 Cb 0.51 0.88 -0.10 0.00 -0.61 0.00 0.00 39.78 40.45 3dya n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dya s VAL 148 N -2.67 0.71 -0.22 2.41 -7.23 -1.20 -0.92 120.40 111.29 3dya s VAL 148 Ca 0.09 -1.99 -0.37 0.00 -1.81 0.00 0.00 61.98 57.90 3dya s VAL 148 Cb 0.15 -2.17 -0.13 0.00 0.56 0.00 0.00 36.38 34.78 3dya s VAL 148 CO 0.72 -0.43 1.87 0.18 -0.31 0.00 0.00 175.10 177.12 3dya n LEU 149 N -0.27 2.79 -4.83 1.32 4.77 0.01 -4.57 117.00 116.20 3dya n LEU 149 Ca -0.06 0.94 -0.33 0.00 -0.03 0.00 0.00 56.01 56.53 3dya n LEU 149 Cb 0.63 -1.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 3dya n LEU 149 CO 0.34 -0.32 0.48 -2.16 -1.33 0.00 0.00 177.39 174.40 3dya s PRO 150 N 4.18 4.11 0.28 3.23 0.04 -1.26 -3.97 135.00 141.61 3dya s PRO 150 Ca 0.98 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 3dya s PRO 150 Cb -0.89 -2.46 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 3dya s PRO 150 CO 0.58 0.16 1.23 -0.65 0.04 0.00 0.00 177.00 178.35 3dya s GLN 151 N -2.84 4.47 0.00 4.56 -0.21 -1.26 -3.79 119.66 120.59 3dya s GLN 151 Ca 0.54 2.03 0.00 0.00 0.02 0.00 0.00 55.36 57.95 3dya s GLN 151 Cb -0.11 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.76 3dya s GLN 151 CO 0.17 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 3dya n GLY 152 N 1.27 3.06 3.72 3.09 0.00 -1.26 -4.69 105.19 110.39 3dya n GLY 152 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3dya n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dya s TRP 153 N -2.75 3.58 -0.28 1.61 -0.00 -1.25 -4.49 118.94 115.35 3dya s TRP 153 Ca 0.00 1.24 0.28 0.00 -0.00 0.00 0.00 56.10 57.62 3dya s TRP 153 Cb 0.00 -2.79 1.06 0.00 -0.00 0.00 0.00 33.47 31.74 3dya s TRP 153 CO 0.00 0.09 1.82 0.87 -0.00 0.00 0.00 176.95 179.73 3dya h LYS 154 N 6.74 0.00 0.00 5.86 1.57 -1.92 -2.66 116.57 126.16 3dya h LYS 154 Ca -0.41 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 3dya h LYS 154 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3dya h LYS 154 CO 0.75 0.00 -0.09 0.78 -0.57 0.00 0.00 179.45 180.32 3dya h GLY 155 N 2.57 0.00 0.62 3.86 0.00 -1.93 -3.19 103.07 105.00 3dya h GLY 155 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dya h GLY 155 CO 0.00 0.00 -0.06 1.76 0.00 0.00 0.00 176.54 178.24 3dya h SER 156 N 0.00 -0.15 0.01 0.19 0.02 -1.74 -0.18 113.55 111.69 3dya h SER 156 Ca -0.00 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3dya h SER 156 Cb 0.43 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3dya h SER 156 CO 0.01 0.23 -0.10 1.55 -1.14 0.00 0.00 176.83 177.39 3dya h PRO 157 N -0.57 0.21 -0.20 3.45 0.13 -1.75 -1.13 132.00 132.15 3dya h PRO 157 Ca -0.02 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3dya h PRO 157 Cb 0.44 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3dya h PRO 157 CO 0.03 0.32 0.13 0.00 -0.23 0.00 0.00 178.00 178.25 3dya h ALA 158 N 1.70 0.25 -0.14 -0.56 0.00 -1.50 -1.20 119.26 117.81 3dya h ALA 158 Ca 0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3dya h ALA 158 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dya h ALA 158 CO 0.02 -0.28 -0.52 0.82 0.00 0.00 0.00 179.25 179.29 3dya h ILE 159 N 0.26 1.34 -0.00 0.00 2.04 -0.91 -3.30 117.51 116.94 3dya h ILE 159 Ca 0.07 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.16 3dya h ILE 159 Cb -0.03 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3dya h ILE 159 CO -0.02 0.54 -0.30 0.33 0.00 0.00 0.00 178.15 178.70 3dya n PHE 160 N -3.95 0.00 -0.06 1.37 7.35 -0.44 -4.25 117.46 117.48 3dya n PHE 160 Ca -0.02 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.71 3dya n PHE 160 Cb 0.57 -0.23 0.39 0.00 0.35 0.00 0.00 39.48 40.57 3dya n PHE 160 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 3dya h GLN 161 N 0.46 0.62 -0.63 -4.13 3.07 -1.30 0.63 115.11 113.82 3dya h GLN 161 Ca 0.00 -0.04 0.07 0.00 0.09 0.00 0.00 58.65 58.77 3dya h GLN 161 Cb 0.47 -0.14 -0.06 0.00 0.08 0.00 0.00 27.48 27.83 3dya h GLN 161 CO 0.00 0.41 0.32 0.66 0.09 0.00 0.00 178.83 180.31 3dya h SER 162 N 0.64 0.43 0.26 0.06 4.64 -1.85 0.77 113.55 118.51 3dya h SER 162 Ca 0.19 0.05 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 3dya h SER 162 Cb -0.01 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3dya h SER 162 CO -0.05 0.27 -0.95 0.28 -0.87 0.00 0.00 176.83 175.52 3dya h SER 163 N 0.57 0.61 -0.91 4.97 0.02 -1.57 -3.08 113.55 114.17 3dya h SER 163 Ca 0.30 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3dya h SER 163 Cb 0.25 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3dya h SER 163 CO -0.22 1.28 0.57 -0.03 -1.14 0.00 0.00 176.83 177.30 3dya h MET 164 N 0.27 1.23 -0.66 3.45 -1.53 -0.62 -2.27 114.93 114.80 3dya h MET 164 Ca -0.09 -0.10 -0.04 0.00 -3.44 0.00 0.00 59.70 56.04 3dya h MET 164 Cb 1.59 -0.27 -0.03 0.00 -0.55 0.00 0.00 31.60 32.34 3dya h MET 164 CO 0.17 0.84 0.25 1.15 0.14 0.00 0.00 176.91 179.46 3dya h THR 165 N 1.26 1.24 -0.63 -0.77 2.02 -0.83 -1.26 112.91 113.94 3dya h THR 165 Ca 0.33 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.77 3dya h THR 165 Cb -0.09 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3dya h THR 165 CO -0.07 0.30 0.39 0.11 0.37 0.00 0.00 175.52 176.62 3dya h LYS 166 N 0.94 0.74 -0.62 6.66 1.57 -1.42 -2.24 116.57 122.19 3dya h LYS 166 Ca 0.22 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3dya h LYS 166 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3dya h LYS 166 CO -0.02 0.49 0.11 0.82 -0.57 0.00 0.00 179.45 180.28 3dya h ILE 167 N 0.76 1.26 -0.01 1.86 2.04 -0.81 -3.00 117.51 119.62 3dya h ILE 167 Ca 0.25 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3dya h ILE 167 Cb 0.02 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3dya h ILE 167 CO -0.10 0.37 -0.20 0.18 0.00 0.00 0.00 178.15 178.40 3dya n LEU 168 N -4.29 1.13 0.27 1.44 4.77 -0.54 -4.52 117.00 115.26 3dya n LEU 168 Ca 0.03 -0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 3dya n LEU 168 Cb 0.28 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3dya n LEU 168 CO 0.42 0.20 0.66 -0.08 -1.33 0.00 0.00 177.39 177.27 3dya h GLU 169 N 1.45 -0.71 -0.82 3.23 4.81 -1.25 0.95 114.58 122.24 3dya h GLU 169 Ca 0.00 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3dya h GLU 169 Cb 0.51 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 3dya h GLU 169 CO 0.00 -0.48 0.53 -1.35 -0.73 0.00 0.00 179.01 176.98 3dya h PRO 170 N -0.74 1.01 -0.68 0.92 0.11 -1.79 -0.47 132.00 130.36 3dya h PRO 170 Ca -0.05 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 3dya h PRO 170 Cb 0.62 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3dya h PRO 170 CO 0.03 0.67 0.11 0.35 -0.21 0.00 0.00 178.00 178.95 3dya h PHE 171 N 1.05 1.19 0.42 0.65 3.57 -1.74 0.06 116.94 122.13 3dya h PHE 171 Ca 0.32 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3dya h PHE 171 Cb -0.03 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.39 3dya h PHE 171 CO -0.02 0.99 -0.20 0.00 -2.23 0.00 0.00 178.31 176.85 3dya h ARG 172 N 1.04 -0.54 -0.83 1.11 3.08 -0.51 -1.11 114.38 116.62 3dya h ARG 172 Ca 0.21 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.50 3dya h ARG 172 Cb 0.44 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.47 3dya h ARG 172 CO 0.01 -0.25 0.03 -0.22 -1.07 0.00 0.00 179.97 178.47 3dya h LYS 173 N -0.79 0.09 0.00 0.04 3.64 -1.00 0.19 116.57 118.73 3dya h LYS 173 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3dya h LYS 173 Cb 0.54 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3dya h LYS 173 CO 0.09 0.06 0.00 1.96 -2.27 0.00 0.00 179.45 179.29 3dya h GLN 174 N 0.09 0.00 -2.25 1.90 4.20 -0.93 -3.37 115.11 114.75 3dya h GLN 174 Ca 0.48 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.60 3dya h GLN 174 Cb 0.89 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.27 3dya h GLN 174 CO -0.74 0.00 -0.94 0.09 -0.67 0.00 0.00 178.83 176.57 3dya n ASN 175 N -2.80 0.74 0.22 1.46 3.02 0.62 -4.99 115.26 113.52 3dya n ASN 175 Ca 0.04 -2.75 0.15 0.00 -0.03 0.00 0.00 54.58 51.99 3dya n ASN 175 Cb 0.44 -0.63 0.62 0.00 -0.61 0.00 0.00 39.78 39.60 3dya n ASN 175 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3dya h PRO 176 N 4.68 0.00 -0.68 3.52 0.13 -1.59 -2.86 132.00 135.20 3dya h PRO 176 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3dya h PRO 176 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3dya h PRO 176 CO 0.51 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 3dya n ASP 177 N -2.72 4.01 -4.69 1.44 8.00 -1.26 -4.87 116.55 116.47 3dya n ASP 177 Ca 0.01 -2.15 -0.35 0.00 0.71 0.00 0.00 54.79 53.01 3dya n ASP 177 Cb 0.26 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.77 3dya n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dya s ILE 178 N -1.35 4.91 -0.14 0.53 1.01 -1.08 -4.62 121.20 120.45 3dya s ILE 178 Ca 0.47 -0.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 3dya s ILE 178 Cb 0.27 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3dya s ILE 178 CO 0.29 0.50 0.05 0.68 0.00 0.00 0.00 174.94 176.46 3dya s VAL 179 N -0.02 4.69 -0.08 2.92 -7.23 -0.43 -4.96 120.40 115.28 3dya s VAL 179 Ca 0.07 -0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 3dya s VAL 179 Cb -0.12 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.78 3dya s VAL 179 CO 0.01 0.53 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.57 3dya s ILE 180 N -0.25 1.26 -0.05 -0.62 1.01 -1.25 -0.43 121.20 120.87 3dya s ILE 180 Ca 0.08 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3dya s ILE 180 Cb -0.12 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.19 3dya s ILE 180 CO 0.02 0.39 -0.14 -0.47 0.00 0.00 0.00 174.94 174.74 3dya s TYR 181 N 0.85 1.48 -0.25 3.97 5.04 0.31 -4.94 117.35 123.81 3dya s TYR 181 Ca -0.11 -0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 53.93 3dya s TYR 181 Cb -0.15 -1.05 -0.05 0.00 0.35 0.00 0.00 41.96 41.06 3dya s TYR 181 CO 0.01 -0.22 0.20 -1.14 -1.34 0.00 0.00 175.55 173.07 3dya s GLN 182 N 0.38 4.05 -0.15 4.97 0.74 -1.26 0.62 119.66 129.00 3dya s GLN 182 Ca -0.09 -0.22 -0.00 0.00 0.05 0.00 0.00 55.36 55.10 3dya s GLN 182 Cb -0.13 -3.57 0.04 0.00 1.10 0.00 0.00 33.01 30.44 3dya s GLN 182 CO 0.03 -0.02 -0.07 -0.47 -0.55 0.00 0.00 175.29 174.21 3dya s TYR 183 N 1.30 1.74 0.00 1.67 5.04 -0.75 -5.02 117.35 121.34 3dya s TYR 183 Ca 0.09 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.67 3dya s TYR 183 Cb -0.14 -1.34 0.00 0.00 0.35 0.00 0.00 41.96 40.82 3dya s TYR 183 CO 0.07 -0.61 0.00 -1.33 -1.34 0.00 0.00 175.55 172.34 3dya n MET 184 N 4.87 0.00 -0.38 4.97 2.81 -1.26 -2.05 117.12 126.08 3dya n MET 184 Ca -0.13 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.86 3dya n MET 184 Cb 0.48 0.00 0.28 0.00 -0.71 0.00 0.00 33.22 33.28 3dya n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dya n ASP 185 N 6.87 3.56 -4.30 7.83 8.00 -1.26 -4.62 116.55 132.63 3dya n ASP 185 Ca 0.00 -2.13 -0.25 0.00 0.71 0.00 0.00 54.79 53.12 3dya n ASP 185 Cb 0.00 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.52 3dya n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dya s ASP 186 N -0.94 2.68 -0.16 -2.24 1.01 -0.87 -0.38 116.67 115.76 3dya s ASP 186 Ca 0.42 -0.65 -0.10 0.00 0.71 0.00 0.00 52.55 52.93 3dya s ASP 186 Cb 0.24 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.94 3dya s ASP 186 CO 0.26 0.11 0.19 -0.76 0.21 0.00 0.00 175.17 175.18 3dya s LEU 187 N -1.71 4.28 -0.28 1.23 1.43 0.68 -1.81 118.68 122.51 3dya s LEU 187 Ca 0.08 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3dya s LEU 187 Cb -0.10 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3dya s LEU 187 CO 0.04 0.23 0.11 -0.31 0.23 0.00 0.00 176.35 176.64 3dya s TYR 188 N -0.05 3.13 -0.27 0.29 2.02 0.20 -1.28 117.35 121.39 3dya s TYR 188 Ca 0.13 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3dya s TYR 188 Cb -0.12 -2.29 0.07 0.00 -0.40 0.00 0.00 41.96 39.22 3dya s TYR 188 CO 0.02 -0.39 -0.06 0.08 -1.57 0.00 0.00 175.55 173.63 3dya s VAL 189 N 1.62 2.04 -0.09 0.71 1.01 -0.20 -0.53 120.40 124.95 3dya s VAL 189 Ca 0.06 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 3dya s VAL 189 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3dya s VAL 189 CO 0.05 -0.18 -0.07 -0.83 0.00 0.00 0.00 175.10 174.06 3dya s GLY 190 N 1.13 1.67 0.19 4.51 0.00 0.43 -0.83 107.32 114.42 3dya s GLY 190 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 3dya s GLY 190 CO -0.06 -0.49 0.12 -1.35 0.00 0.00 0.00 173.10 171.31 3dya s SER 191 N -0.43 0.22 0.00 1.64 1.04 -0.77 -1.32 113.70 114.08 3dya s SER 191 Ca 0.06 -1.36 0.22 0.00 0.48 0.00 0.00 55.95 55.35 3dya s SER 191 Cb -0.12 0.36 0.24 0.00 0.10 0.00 0.00 66.02 66.59 3dya s SER 191 CO 0.02 -0.82 1.25 0.47 0.98 0.00 0.00 173.24 175.14 3dya n ASP 192 N -0.25 3.00 -4.52 7.02 8.00 -1.26 -1.77 116.55 126.76 3dya n ASP 192 Ca 0.01 -1.94 -0.34 0.00 0.71 0.00 0.00 54.79 53.23 3dya n ASP 192 Cb 0.66 -0.06 0.10 0.00 -0.02 0.00 0.00 41.12 41.80 3dya n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dya n LEU 193 N 1.29 1.64 -4.74 0.64 4.32 -1.26 -4.83 117.00 114.07 3dya n LEU 193 Ca 0.14 0.51 -0.35 0.00 -0.02 0.00 0.00 56.01 56.29 3dya n LEU 193 Cb 0.56 -1.31 0.07 0.00 -1.62 0.00 0.00 43.42 41.12 3dya n LEU 193 CO 0.14 -2.83 0.81 -1.61 -1.22 0.00 0.00 177.39 172.69 3dya s GLU 194 N -3.47 2.50 0.32 3.23 2.02 -1.26 -4.66 118.70 117.38 3dya s GLU 194 Ca 0.65 1.74 0.03 0.00 0.02 0.00 0.00 54.97 57.42 3dya s GLU 194 Cb -0.29 -1.88 0.54 0.00 0.10 0.00 0.00 34.13 32.60 3dya s GLU 194 CO 0.59 -1.55 1.83 0.97 0.02 0.00 0.00 175.26 177.11 3dya h ILE 195 N 0.15 1.22 -0.52 -1.63 6.09 -1.98 0.27 117.51 121.11 3dya h ILE 195 Ca -0.49 -0.92 -0.04 0.00 -1.37 0.00 0.00 64.86 62.05 3dya h ILE 195 Cb 1.29 1.04 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 3dya h ILE 195 CO 0.52 0.31 0.17 1.23 -3.07 0.00 0.00 178.15 177.31 3dya h GLY 196 N 0.89 0.85 1.41 8.18 0.00 -1.99 -0.65 103.07 111.76 3dya h GLY 196 Ca 0.10 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 3dya h GLY 196 CO 0.02 0.47 -0.40 1.46 0.00 0.00 0.00 176.54 178.08 3dya h GLN 197 N 0.70 0.65 -0.04 4.80 4.20 -1.62 -1.67 115.11 122.12 3dya h GLN 197 Ca 0.17 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.56 3dya h GLN 197 Cb 0.26 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3dya h GLN 197 CO -0.01 0.93 -0.02 1.25 -0.67 0.00 0.00 178.83 180.32 3dya h HIS 198 N 0.53 -0.05 -0.10 2.96 2.76 -0.33 -1.12 115.15 119.79 3dya h HIS 198 Ca 0.04 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 3dya h HIS 198 Cb 0.93 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 3dya h HIS 198 CO 0.04 -0.04 -0.20 0.00 -1.30 0.00 0.00 177.93 176.43 3dya h ARG 199 N -0.02 0.17 -0.60 5.26 3.08 -1.05 -1.68 114.38 119.55 3dya h ARG 199 Ca 0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3dya h ARG 199 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3dya h ARG 199 CO -0.06 0.37 0.24 1.15 -1.07 0.00 0.00 179.97 180.60 3dya h THR 200 N 0.16 1.23 0.00 2.04 2.02 -1.02 -1.98 112.91 115.35 3dya h THR 200 Ca 0.03 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 3dya h THR 200 Cb 0.45 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3dya h THR 200 CO 0.03 0.28 -0.45 0.11 0.37 0.00 0.00 175.52 175.86 3dya h LYS 201 N 0.83 0.00 -0.08 6.66 1.79 -0.53 -1.16 116.57 124.07 3dya h LYS 201 Ca 0.20 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 3dya h LYS 201 Cb 0.21 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3dya h LYS 201 CO -0.02 0.45 -0.02 0.82 -1.08 0.00 0.00 179.45 179.61 3dya h ILE 202 N 0.00 1.29 -0.70 1.86 1.08 -1.18 -0.73 117.51 119.13 3dya h ILE 202 Ca -0.00 -0.93 0.08 0.00 -0.39 0.00 0.00 64.86 63.61 3dya h ILE 202 Cb 0.86 1.74 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 3dya h ILE 202 CO 0.06 0.26 0.38 -0.08 -0.69 0.00 0.00 178.15 178.07 3dya h GLU 203 N -0.17 0.65 -0.07 2.37 4.57 -1.20 -0.47 114.58 120.25 3dya h GLU 203 Ca 0.02 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3dya h GLU 203 Cb 0.42 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3dya h GLU 203 CO 0.01 0.43 -0.10 0.93 -1.18 0.00 0.00 179.01 179.09 3dya h GLU 204 N 0.66 -0.13 -0.72 1.92 5.08 -1.08 -2.19 114.58 118.12 3dya h GLU 204 Ca 0.33 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 3dya h GLU 204 Cb 0.28 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3dya h GLU 204 CO -0.23 -0.09 0.47 1.25 -1.00 0.00 0.00 179.01 179.42 3dya h LEU 205 N -0.14 0.71 -0.70 1.33 5.85 -0.64 -2.17 115.31 119.56 3dya h LEU 205 Ca 0.06 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3dya h LEU 205 Cb 0.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3dya h LEU 205 CO -0.16 0.48 0.41 0.03 -0.34 0.00 0.00 178.44 178.85 3dya h ARG 206 N 0.82 0.96 -0.54 1.25 3.08 -0.59 -1.36 114.38 118.00 3dya h ARG 206 Ca 0.30 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3dya h ARG 206 Cb 0.15 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3dya h ARG 206 CO -0.09 0.70 0.34 1.96 -1.07 0.00 0.00 179.97 181.81 3dya h GLN 207 N 0.96 0.72 0.11 0.04 1.08 -0.82 0.39 115.11 117.59 3dya h GLN 207 Ca 0.25 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.42 3dya h GLN 207 Cb 0.00 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 3dya h GLN 207 CO -0.04 0.50 -0.31 0.45 -0.95 0.00 0.00 178.83 178.48 3dya h HIS 208 N 0.72 -0.83 -0.94 2.96 3.86 -1.08 -2.47 115.15 117.36 3dya h HIS 208 Ca 0.19 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 3dya h HIS 208 Cb -0.05 0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.72 3dya h HIS 208 CO -0.03 -0.41 0.62 -0.07 0.86 0.00 0.00 177.93 178.90 3dya h LEU 209 N -0.52 1.03 -1.67 2.43 3.38 -0.95 -2.48 115.31 116.54 3dya h LEU 209 Ca 0.03 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3dya h LEU 209 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dya h LEU 209 CO -0.19 0.72 0.34 0.25 0.09 0.00 0.00 178.44 179.65 3dya h LEU 210 N 1.20 0.35 -0.14 1.67 5.85 0.18 -0.25 115.31 124.17 3dya h LEU 210 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3dya h LEU 210 Cb -0.01 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3dya h LEU 210 CO -0.11 0.23 0.00 0.54 -0.34 0.00 0.00 178.44 178.76 3dya n ARG 211 N -4.47 0.03 -0.26 1.25 3.00 -0.93 -1.50 116.66 113.77 3dya n ARG 211 Ca 0.07 0.34 0.08 0.00 -0.01 0.00 0.00 57.85 58.33 3dya n ARG 211 Cb 0.29 -1.56 0.19 0.00 0.00 0.00 0.00 32.46 31.38 3dya n ARG 211 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3dya n TRP 212 N -1.62 0.51 -2.03 -1.55 7.02 -0.12 -5.05 117.44 114.60 3dya n TRP 212 Ca 0.02 -0.87 -0.01 0.00 -1.02 0.00 0.00 57.50 55.63 3dya n TRP 212 Cb 0.14 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 3dya n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dya n GLY 213 N -0.76 -2.73 0.83 6.99 0.00 -0.56 -5.00 105.19 103.95 3dya n GLY 213 Ca 0.17 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 3dya n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dya n LEU 214 N 0.09 0.00 0.00 0.99 4.77 -1.24 -4.58 117.00 117.03 3dya n LEU 214 Ca 0.01 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3dya n LEU 214 Cb 0.06 0.69 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3dya n LEU 214 CO 0.19 -0.17 0.00 1.07 -1.33 0.00 0.00 177.39 177.15 3dya n THR 215 N -0.14 0.00 -0.00 -5.08 5.66 -1.26 -4.77 114.28 108.69 3dya n THR 215 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3dya n THR 215 Cb 0.14 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 3dya n THR 215 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 3dya n TRP 229 N 0.00 0.00 -0.01 1.09 4.27 -1.26 -5.11 117.44 116.42 3dya n TRP 229 Ca 0.00 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.60 3dya n TRP 229 Cb 0.00 -0.50 -0.00 0.00 -1.36 0.00 0.00 31.31 29.44 3dya n TRP 229 CO 0.00 0.00 0.00 -0.12 -2.29 0.00 0.00 177.69 175.28 3dya n MET 230 N 0.33 0.02 0.00 -2.67 0.00 -1.26 -4.69 117.12 108.85 3dya n MET 230 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.71 3dya n MET 230 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 32.56 3dya n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dya n GLY 231 N 3.07 -2.55 0.32 -5.12 0.00 -1.26 -4.59 105.19 95.07 3dya n GLY 231 Ca -0.02 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 3dya n GLY 231 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dya h TYR 232 N 0.00 -0.73 -2.66 1.61 3.20 -2.01 -3.45 116.97 112.93 3dya h TYR 232 Ca 0.00 -0.02 -0.60 0.00 3.14 0.00 0.00 58.73 61.26 3dya h TYR 232 Cb 0.00 0.24 -0.12 0.00 1.54 0.00 0.00 36.73 38.39 3dya h TYR 232 CO 0.00 -0.46 -0.69 -1.21 -1.64 0.00 0.00 178.16 174.17 3dya s GLU 233 N -4.32 2.18 0.52 1.82 8.01 -1.26 -4.76 118.70 120.88 3dya s GLU 233 Ca -0.12 -1.32 -0.15 0.00 0.01 0.00 0.00 54.97 53.39 3dya s GLU 233 Cb 0.01 -2.17 -0.07 0.00 -4.31 0.00 0.00 34.13 27.59 3dya s GLU 233 CO 0.35 0.41 0.96 -0.51 0.01 0.00 0.00 175.26 176.48 3dya s LEU 234 N -3.18 3.59 -0.48 1.80 1.43 0.12 -4.90 118.68 117.06 3dya s LEU 234 Ca 0.28 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.92 3dya s LEU 234 Cb -0.08 -4.43 0.21 0.00 0.03 0.00 0.00 46.19 41.92 3dya s LEU 234 CO 0.17 -0.60 0.49 1.41 0.23 0.00 0.00 176.35 178.05 3dya n HIS 235 N -1.72 0.51 0.11 0.29 8.25 -1.26 -0.76 115.22 120.63 3dya n HIS 235 Ca 0.06 -3.66 -0.03 0.00 -0.26 0.00 0.00 57.72 53.83 3dya n HIS 235 Cb 0.54 -0.20 0.08 0.00 1.12 0.00 0.00 29.99 31.52 3dya n HIS 235 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3dya h PRO 236 N 4.77 0.02 0.00 -0.41 0.13 -1.74 -2.26 132.00 132.51 3dya h PRO 236 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3dya h PRO 236 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3dya h PRO 236 CO 0.52 0.75 0.03 0.38 -0.23 0.00 0.00 178.00 179.44 3dya h ASP 237 N 0.01 0.00 -0.68 1.44 2.03 -1.36 0.59 116.42 118.45 3dya h ASP 237 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3dya h ASP 237 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 3dya h ASP 237 CO 0.10 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.60 3dya n LYS 238 N -2.78 3.57 -2.87 4.15 5.02 -0.85 -4.97 118.16 119.43 3dya n LYS 238 Ca -0.02 -2.87 -0.39 0.00 -2.02 0.00 0.00 58.31 53.01 3dya n LYS 238 Cb 0.08 -1.84 -0.06 0.00 -0.02 0.00 0.00 35.03 33.19 3dya n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3dya s TRP 239 N -1.68 3.88 0.40 2.13 0.51 0.20 -5.05 118.94 119.33 3dya s TRP 239 Ca 0.52 1.75 0.03 0.00 -2.12 0.00 0.00 56.10 56.28 3dya s TRP 239 Cb 0.32 -2.86 -0.03 0.00 -0.81 0.00 0.00 33.47 30.09 3dya s TRP 239 CO 0.27 0.43 0.10 0.95 -0.51 0.00 0.00 176.95 178.18 3dya s THR 240 N -1.27 0.82 -0.01 2.01 -4.23 -1.26 -5.09 115.64 106.61 3dya s THR 240 Ca 0.41 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.76 3dya s THR 240 Cb -0.23 -2.43 -0.06 0.00 1.34 0.00 0.00 72.50 71.12 3dya s THR 240 CO 0.28 0.00 0.42 0.54 -0.54 0.00 0.00 174.62 175.32 3dya s VAL 241 N -3.18 5.04 -0.57 2.29 0.11 -1.26 -4.68 120.40 118.15 3dya s VAL 241 Ca 0.24 0.86 -0.28 0.00 -2.93 0.00 0.00 61.98 59.87 3dya s VAL 241 Cb 0.04 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.19 3dya s VAL 241 CO 0.13 0.55 1.18 -1.58 -3.33 0.00 0.00 175.10 172.05 3dya s GLN 242 N -0.86 3.54 0.16 1.54 2.00 -1.04 -4.98 119.66 120.03 3dya s GLN 242 Ca 0.24 0.29 -0.31 0.00 -2.00 0.00 0.00 55.36 53.58 3dya s GLN 242 Cb -0.17 -4.00 -0.09 0.00 0.80 0.00 0.00 33.01 29.56 3dya s GLN 242 CO 0.13 -1.64 1.39 -2.14 -0.50 0.00 0.00 175.29 172.53 3dya s PRO 243 N 4.88 4.32 -0.27 1.67 0.02 -1.26 -4.79 135.00 139.57 3dya s PRO 243 Ca 0.43 2.13 -0.39 0.00 0.02 0.00 0.00 61.00 63.20 3dya s PRO 243 Cb -0.07 -3.20 -0.15 0.00 0.02 0.00 0.00 34.50 31.10 3dya s PRO 243 CO 0.26 -0.40 1.83 -0.89 -0.33 0.00 0.00 177.00 177.48 3dya n ILE 244 N 3.32 0.33 -4.22 2.83 5.41 -1.26 -4.92 119.36 120.85 3dya n ILE 244 Ca 0.09 -0.09 -0.34 0.00 1.00 0.00 0.00 62.75 63.42 3dya n ILE 244 Cb 0.42 -1.35 -0.13 0.00 -0.71 0.00 0.00 39.64 37.87 3dya n ILE 244 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3dya s VAL 245 N 4.15 3.77 -0.10 1.39 -7.23 -1.26 -4.93 120.40 116.19 3dya s VAL 245 Ca 1.00 -0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 60.63 3dya s VAL 245 Cb -1.00 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 3dya s VAL 245 CO 0.62 0.46 0.38 -0.76 -0.31 0.00 0.00 175.10 175.49 3dya s LEU 246 N 0.81 4.32 0.59 1.32 1.43 -1.26 -4.98 118.68 120.91 3dya s LEU 246 Ca -0.01 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 3dya s LEU 246 Cb -0.14 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3dya s LEU 246 CO 0.02 0.14 1.15 -2.16 0.23 0.00 0.00 176.35 175.73 3dya s PRO 247 N 0.05 3.09 -0.22 1.29 0.04 -1.26 -5.03 135.00 132.96 3dya s PRO 247 Ca 0.22 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 3dya s PRO 247 Cb -0.15 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3dya s PRO 247 CO 0.09 -1.07 0.11 -1.21 0.04 0.00 0.00 177.00 174.96 3dya s GLU 248 N -3.47 4.02 -0.05 4.56 2.02 -1.26 -5.10 118.70 119.41 3dya s GLU 248 Ca 0.73 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.44 3dya s GLU 248 Cb -0.25 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.59 3dya s GLU 248 CO 0.32 0.14 -0.12 0.15 0.02 0.00 0.00 175.26 175.78 3dya s LYS 249 N 0.79 1.51 0.15 1.61 1.02 -1.26 -5.01 119.74 118.55 3dya s LYS 249 Ca 0.06 -0.39 -0.28 0.00 0.02 0.00 0.00 55.97 55.39 3dya s LYS 249 Cb -0.13 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 3dya s LYS 249 CO 0.02 0.06 1.42 -0.40 -0.92 0.00 0.00 175.35 175.53 3dya n ASP 250 N 3.68 -0.95 -3.99 2.83 5.68 -1.26 -4.76 116.55 117.78 3dya n ASP 250 Ca -0.22 1.64 -0.16 0.00 -0.50 0.00 0.00 54.79 55.55 3dya n ASP 250 Cb 0.52 -0.23 -0.14 0.00 -1.14 0.00 0.00 41.12 40.14 3dya n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3dya s SER 251 N -5.45 0.74 -0.23 -1.12 0.15 -1.26 -5.10 113.70 101.42 3dya s SER 251 Ca -0.11 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.32 3dya s SER 251 Cb 0.11 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3dya s SER 251 CO 0.58 0.02 -0.07 0.26 1.20 0.00 0.00 173.24 175.23 3dya s TRP 252 N -0.39 3.00 0.78 3.44 0.52 -1.26 -5.06 118.94 119.97 3dya s TRP 252 Ca -0.00 -1.34 -0.09 0.00 0.02 0.00 0.00 56.10 54.69 3dya s TRP 252 Cb -0.04 -2.06 0.10 0.00 -1.15 0.00 0.00 33.47 30.32 3dya s TRP 252 CO -0.00 -0.67 1.10 0.95 0.02 0.00 0.00 176.95 178.35 3dya s THR 253 N 1.38 2.15 0.04 2.01 -4.23 -1.26 -0.60 115.64 115.13 3dya s THR 253 Ca 0.03 -0.21 -0.25 0.00 -1.18 0.00 0.00 61.69 60.08 3dya s THR 253 Cb -0.15 -2.94 -0.17 0.00 1.34 0.00 0.00 72.50 70.57 3dya s THR 253 CO -0.05 0.00 1.48 0.58 -0.54 0.00 0.00 174.62 176.09 3dya h VAL 254 N -0.89 1.05 -0.87 2.29 2.07 -1.00 -2.72 116.25 116.18 3dya h VAL 254 Ca -0.44 -0.50 0.17 0.00 0.82 0.00 0.00 66.70 66.75 3dya h VAL 254 Cb 1.30 1.37 -0.16 0.00 -1.52 0.00 0.00 31.29 32.27 3dya h VAL 254 CO 0.54 0.12 -0.23 -1.13 0.02 0.00 0.00 177.57 176.89 3dya h ASN 255 N -0.35 -0.86 -0.66 0.57 -0.00 -1.60 -0.14 115.58 112.53 3dya h ASN 255 Ca -0.01 0.26 0.06 0.00 -0.00 0.00 0.00 56.30 56.61 3dya h ASN 255 Cb 0.30 0.55 -0.05 0.00 -0.00 0.00 0.00 38.32 39.12 3dya h ASN 255 CO 0.02 -0.29 0.37 0.44 -0.00 0.00 0.00 177.43 177.97 3dya h ASP 256 N -0.01 0.55 -0.03 1.15 3.32 -1.77 -0.36 116.42 119.28 3dya h ASP 256 Ca 0.41 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.30 3dya h ASP 256 Cb 0.63 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3dya h ASP 256 CO -0.90 0.36 -0.66 0.40 -1.72 0.00 0.00 179.24 176.72 3dya h ILE 257 N 0.69 1.31 -0.15 0.35 2.04 -0.99 -0.99 117.51 119.77 3dya h ILE 257 Ca 0.30 -1.92 0.05 0.00 1.00 0.00 0.00 64.86 64.28 3dya h ILE 257 Cb 0.18 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 3dya h ILE 257 CO -0.18 0.60 -0.26 1.56 0.00 0.00 0.00 178.15 179.87 3dya h GLN 258 N 0.47 -0.31 -0.76 2.37 4.20 -0.63 0.45 115.11 120.90 3dya h GLN 258 Ca -0.02 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3dya h GLN 258 Cb 1.25 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 29.03 3dya h GLN 258 CO 0.13 -0.21 0.42 0.87 -0.67 0.00 0.00 178.83 179.38 3dya h LYS 259 N -0.32 0.71 0.07 1.46 1.79 -0.89 0.42 116.57 119.80 3dya h LYS 259 Ca 0.11 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3dya h LYS 259 Cb 0.48 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3dya h LYS 259 CO -0.33 0.47 -0.03 1.25 -1.08 0.00 0.00 179.45 179.72 3dya h LEU 260 N 0.73 -0.08 -1.49 2.94 5.85 -0.77 -1.36 115.31 121.12 3dya h LEU 260 Ca 0.36 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3dya h LEU 260 Cb 0.32 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3dya h LEU 260 CO -0.24 0.16 0.47 0.58 -0.34 0.00 0.00 178.44 179.08 3dya h VAL 261 N -0.33 0.91 0.15 1.05 2.07 0.28 0.11 116.25 120.50 3dya h VAL 261 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3dya h VAL 261 Cb 0.28 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3dya h VAL 261 CO 0.02 0.10 -0.07 1.23 0.02 0.00 0.00 177.57 178.87 3dya h GLY 262 N 0.57 -0.21 0.52 2.17 0.00 -0.66 0.14 103.07 105.60 3dya h GLY 262 Ca 0.33 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.80 3dya h GLY 262 CO -0.11 -0.08 0.05 0.50 0.00 0.00 0.00 176.54 176.90 3dya h LYS 263 N -0.41 0.17 -0.18 4.80 1.57 -0.81 -1.75 116.57 119.95 3dya h LYS 263 Ca -0.02 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3dya h LYS 263 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3dya h LYS 263 CO 0.03 0.11 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.44 3dya h LEU 264 N 0.17 0.56 -0.86 2.94 3.38 -0.95 0.15 115.31 120.69 3dya h LEU 264 Ca 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3dya h LEU 264 Cb 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3dya h LEU 264 CO -0.25 0.97 0.50 -1.13 0.09 0.00 0.00 178.44 178.62 3dya h ASN 265 N 0.40 1.06 0.60 -0.43 -1.24 -0.47 -0.28 115.58 115.22 3dya h ASN 265 Ca 0.02 -0.08 -0.22 0.00 0.71 0.00 0.00 56.30 56.72 3dya h ASN 265 Cb 1.03 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 3dya h ASN 265 CO 0.09 0.83 -0.99 -0.25 -1.29 0.00 0.00 177.43 175.82 3dya h TRP 266 N 1.20 0.36 0.00 0.67 7.01 -1.01 -3.14 115.95 121.04 3dya h TRP 266 Ca 0.31 -0.22 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 3dya h TRP 266 Cb -0.01 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 3dya h TRP 266 CO 0.00 1.08 -0.35 0.00 -2.79 0.00 0.00 178.44 176.39 3dya h ALA 267 N 0.84 1.33 0.00 2.65 0.00 -0.76 -2.92 119.26 120.41 3dya h ALA 267 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3dya h ALA 267 Cb 1.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3dya h ALA 267 CO 0.16 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 3dya n SER 268 N -4.00 0.65 0.10 0.00 3.41 -0.14 -0.98 113.62 112.67 3dya n SER 268 Ca -0.02 0.73 -0.00 0.00 -0.26 0.00 0.00 58.87 59.32 3dya n SER 268 Cb 0.40 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3dya n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3dya h GLN 269 N 0.00 0.00 0.01 4.33 4.20 -1.61 -3.38 115.11 118.66 3dya h GLN 269 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3dya h GLN 269 Cb 0.18 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3dya h GLN 269 CO 0.00 0.58 -2.11 -0.89 -0.67 0.00 0.00 178.83 175.74 3dya n ILE 270 N -3.20 1.55 -3.67 2.54 5.41 -0.46 -4.93 119.36 116.59 3dya n ILE 270 Ca -0.01 -0.34 -0.38 0.00 1.00 0.00 0.00 62.75 63.02 3dya n ILE 270 Cb 0.81 -1.84 -0.12 0.00 -0.71 0.00 0.00 39.64 37.78 3dya n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3dya s TYR 271 N -2.47 3.15 -0.07 1.39 1.51 -0.15 -4.82 117.35 115.89 3dya s TYR 271 Ca -0.34 -0.37 -0.34 0.00 -1.01 0.00 0.00 57.07 55.02 3dya s TYR 271 Cb 0.11 -2.32 -0.11 0.00 -0.11 0.00 0.00 41.96 39.52 3dya s TYR 271 CO 0.57 -0.36 1.89 -2.30 -1.11 0.00 0.00 175.55 174.24 3dya n PRO 272 N 4.98 2.27 0.00 -1.71 -0.02 -1.26 -3.50 135.00 135.76 3dya n PRO 272 Ca -0.15 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3dya n PRO 272 Cb 0.51 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3dya n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dya n GLY 273 N 4.42 0.87 3.77 -1.23 0.00 -1.26 -5.01 105.19 106.74 3dya n GLY 273 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3dya n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dya s ILE 274 N -2.00 3.06 -0.02 -0.61 -1.09 -1.23 -4.94 121.20 114.38 3dya s ILE 274 Ca 0.00 0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 59.24 3dya s ILE 274 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 3dya s ILE 274 CO 0.00 0.05 0.09 -0.75 -1.23 0.00 0.00 174.94 173.10 3dya s LYS 275 N -2.44 0.27 0.00 2.79 2.47 -1.26 -4.96 119.74 116.61 3dya s LYS 275 Ca 0.60 -0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.84 3dya s LYS 275 Cb -0.31 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.17 3dya s LYS 275 CO 0.38 -0.05 0.00 1.33 0.16 0.00 0.00 175.35 177.17 3dya n VAL 276 N 2.27 0.00 -0.31 4.02 0.24 -1.26 -4.84 118.33 118.45 3dya n VAL 276 Ca -0.18 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3dya n VAL 276 Cb 0.57 0.79 0.05 0.00 -1.47 0.00 0.00 33.84 33.79 3dya n VAL 276 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3dya n ARG 277 N -0.41 -0.16 -0.19 7.34 0.63 -1.26 -1.45 116.66 121.16 3dya n ARG 277 Ca 0.00 1.26 -0.08 0.00 -0.92 0.00 0.00 57.85 58.12 3dya n ARG 277 Cb 0.00 -1.88 0.02 0.00 0.45 0.00 0.00 32.46 31.05 3dya n ARG 277 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3dya h GLN 278 N 0.00 0.76 -0.28 -0.14 1.08 -1.92 -2.60 115.11 112.01 3dya h GLN 278 Ca 0.31 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 57.27 3dya h GLN 278 Cb 0.51 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3dya h GLN 278 CO -0.82 0.63 -0.35 -0.07 -0.95 0.00 0.00 178.83 177.28 3dya h LEU 279 N 0.71 0.64 -1.34 1.46 3.38 -1.58 -2.88 115.31 115.70 3dya h LEU 279 Ca 0.18 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3dya h LEU 279 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dya h LEU 279 CO -0.02 0.93 -0.32 0.00 0.09 0.00 0.00 178.44 179.12 3dya h LYS 281 N 0.00 0.45 -0.94 0.00 3.64 -1.24 -2.35 116.57 116.13 3dya h LYS 281 Ca -0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3dya h LYS 281 Cb 0.62 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3dya h LYS 281 CO 0.04 0.30 0.61 -0.07 -2.27 0.00 0.00 179.45 178.06 3dya h LEU 282 N 0.46 1.00 -8.12 5.20 4.07 -1.50 -3.37 115.31 113.05 3dya h LEU 282 Ca 0.17 -0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.50 3dya h LEU 282 Cb 0.10 -0.22 -0.12 0.00 1.08 0.00 0.00 40.66 41.49 3dya h LEU 282 CO -0.04 0.67 1.14 -0.76 -1.08 0.00 0.00 178.44 178.37 3dya s LEU 283 N -10.17 4.01 -0.03 1.67 1.43 -0.89 -4.90 118.68 109.81 3dya s LEU 283 Ca -0.13 -1.45 -0.24 0.00 -1.03 0.00 0.00 54.13 51.28 3dya s LEU 283 Cb 0.19 -2.50 -0.19 0.00 0.03 0.00 0.00 46.19 43.72 3dya s LEU 283 CO 0.81 -1.41 1.13 0.08 0.23 0.00 0.00 176.35 177.18 3dya h ARG 284 N 9.52 -0.13 0.00 1.70 0.11 -1.82 -3.47 114.38 120.29 3dya h ARG 284 Ca 0.07 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.16 3dya h ARG 284 Cb 1.03 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3dya h ARG 284 CO 1.29 0.33 0.00 0.41 0.10 0.00 0.00 179.97 182.10 3dya n GLY 285 N 0.30 -0.71 2.15 0.08 0.00 -1.26 -5.07 105.19 100.68 3dya n GLY 285 Ca -0.08 0.69 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 3dya n GLY 285 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dya n THR 286 N 0.00 -3.59 -2.97 2.61 -1.04 -1.26 -5.05 114.28 102.98 3dya n THR 286 Ca 0.00 -0.41 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 3dya n THR 286 Cb 0.00 -4.06 0.01 0.00 -1.82 0.00 0.00 70.33 64.46 3dya n THR 286 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3dya s LYS 287 N -4.08 2.97 0.42 -2.82 1.02 -1.26 -5.09 119.74 110.90 3dya s LYS 287 Ca 0.10 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.23 3dya s LYS 287 Cb -0.01 -2.58 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 3dya s LYS 287 CO 0.32 -0.32 1.18 0.00 -0.92 0.00 0.00 175.35 175.60 3dya s ALA 288 N -2.55 3.11 0.28 5.17 0.00 -1.26 -4.96 121.76 121.55 3dya s ALA 288 Ca 0.50 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.48 3dya s ALA 288 Cb -0.10 -3.39 0.40 0.00 0.00 0.00 0.00 23.12 20.03 3dya s ALA 288 CO 0.37 -0.58 1.67 -0.07 0.00 0.00 0.00 175.76 177.16 3dya h LEU 289 N 2.47 0.32 -0.22 0.00 3.38 -1.98 -2.87 115.31 116.40 3dya h LEU 289 Ca -0.49 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3dya h LEU 289 Cb 1.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dya h LEU 289 CO 0.62 0.70 0.00 0.35 0.09 0.00 0.00 178.44 180.20 3dya n THR 290 N -4.02 0.64 -1.86 0.22 -2.24 -1.26 -1.63 114.28 104.14 3dya n THR 290 Ca -0.02 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3dya n THR 290 Cb 0.49 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 3dya n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dya s GLU 291 N -3.16 3.94 0.44 -0.78 2.12 -1.08 -4.67 118.70 115.50 3dya s GLU 291 Ca 0.09 2.20 -0.24 0.00 0.36 0.00 0.00 54.97 57.38 3dya s GLU 291 Cb 0.12 -4.11 -0.08 0.00 0.26 0.00 0.00 34.13 30.32 3dya s GLU 291 CO 0.52 -1.16 1.25 0.54 -0.54 0.00 0.00 175.26 175.87 3dya s VAL 292 N 5.04 2.75 -0.09 3.70 0.11 -1.26 -1.72 120.40 128.93 3dya s VAL 292 Ca 0.82 0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 60.45 3dya s VAL 292 Cb -0.35 -3.34 0.04 0.00 -1.53 0.00 0.00 36.38 31.20 3dya s VAL 292 CO 0.34 0.05 0.21 -0.51 -3.33 0.00 0.00 175.10 171.86 3dya s ILE 293 N -1.37 -0.04 0.47 7.04 2.07 0.23 -4.92 121.20 124.68 3dya s ILE 293 Ca 0.61 0.15 -0.24 0.00 -1.41 0.00 0.00 60.65 59.76 3dya s ILE 293 Cb -0.35 -0.33 -0.07 0.00 0.13 0.00 0.00 42.46 41.84 3dya s ILE 293 CO 0.43 0.06 1.30 -2.16 -1.91 0.00 0.00 174.94 172.66 3dya s PRO 294 N 1.18 3.62 -0.51 3.50 0.04 -1.26 -4.46 135.00 137.10 3dya s PRO 294 Ca -0.09 2.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 3dya s PRO 294 Cb -0.10 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 32.00 3dya s PRO 294 CO -0.07 -0.77 0.65 -0.48 0.04 0.00 0.00 177.00 176.37 3dya s LEU 295 N -2.97 4.89 0.96 -3.56 2.34 -1.26 -5.05 118.68 114.03 3dya s LEU 295 Ca 0.64 -0.86 -0.11 0.00 0.06 0.00 0.00 54.13 53.85 3dya s LEU 295 Cb -0.37 -2.48 0.16 0.00 -0.56 0.00 0.00 46.19 42.94 3dya s LEU 295 CO 0.46 -0.92 1.09 0.28 -1.06 0.00 0.00 176.35 176.19 3dya s THR 296 N 2.74 2.42 0.14 5.48 -1.32 -1.26 -4.84 115.64 119.00 3dya s THR 296 Ca 0.16 0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.67 3dya s THR 296 Cb -0.19 -2.44 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 3dya s THR 296 CO 0.13 -0.18 1.47 -0.33 -2.21 0.00 0.00 174.62 173.50 3dya h GLU 297 N -1.84 0.94 -0.15 7.08 5.08 -1.98 0.45 114.58 124.15 3dya h GLU 297 Ca -0.51 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 57.29 3dya h GLU 297 Cb 1.29 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3dya h GLU 297 CO 0.51 1.15 -0.18 0.93 -1.00 0.00 0.00 179.01 180.43 3dya h GLU 298 N 0.76 0.38 -0.63 2.33 3.07 -1.98 -1.52 114.58 116.99 3dya h GLU 298 Ca 0.06 -0.21 0.07 0.00 -0.50 0.00 0.00 59.36 58.78 3dya h GLU 298 Cb 0.98 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.84 3dya h GLU 298 CO 0.10 0.78 0.31 0.00 -1.40 0.00 0.00 179.01 178.80 3dya h ALA 299 N 0.60 0.83 -0.29 3.43 0.00 -1.83 -1.13 119.26 120.87 3dya h ALA 299 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3dya h ALA 299 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3dya h ALA 299 CO 0.04 -0.06 -0.12 0.93 0.00 0.00 0.00 179.25 180.04 3dya h GLU 300 N 0.56 0.49 0.21 0.00 4.39 -0.84 -0.89 114.58 118.51 3dya h GLU 300 Ca 0.29 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3dya h GLU 300 Cb 0.26 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3dya h GLU 300 CO -0.22 0.61 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.07 3dya h LEU 301 N 0.45 -0.24 -0.64 1.33 -0.00 -0.77 -1.41 115.31 114.03 3dya h LEU 301 Ca 0.08 -0.27 0.13 0.00 -0.00 0.00 0.00 57.88 57.83 3dya h LEU 301 Cb 0.49 0.06 -0.11 0.00 -0.00 0.00 0.00 40.66 41.10 3dya h LEU 301 CO 0.03 0.18 -0.06 -0.08 -0.00 0.00 0.00 178.44 178.50 3dya h GLU 302 N -0.71 0.06 -0.21 1.13 4.81 -1.18 0.40 114.58 118.88 3dya h GLU 302 Ca -0.03 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3dya h GLU 302 Cb 0.49 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3dya h GLU 302 CO 0.05 0.04 -0.03 1.25 -0.73 0.00 0.00 179.01 179.58 3dya h LEU 303 N 0.06 -0.15 -0.83 1.64 5.85 -1.16 0.36 115.31 121.09 3dya h LEU 303 Ca 0.33 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 59.00 3dya h LEU 303 Cb 0.53 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3dya h LEU 303 CO -0.60 -0.05 -0.25 0.00 -0.34 0.00 0.00 178.44 177.21 3dya h ALA 304 N 1.20 1.00 0.00 1.25 0.00 -0.03 -2.27 119.26 120.40 3dya h ALA 304 Ca 0.10 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3dya h ALA 304 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3dya h ALA 304 CO -0.20 0.59 -0.70 0.93 0.00 0.00 0.00 179.25 179.87 3dya h GLU 305 N 0.53 0.00 -0.55 0.00 5.08 -0.06 -2.87 114.58 116.70 3dya h GLU 305 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3dya h GLU 305 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3dya h GLU 305 CO 0.05 0.70 0.16 -0.91 -1.00 0.00 0.00 179.01 178.02 3dya h ASN 306 N 0.00 0.80 -0.43 1.42 2.35 -0.74 -2.97 115.58 116.01 3dya h ASN 306 Ca -0.01 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3dya h ASN 306 Cb 1.31 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 3dya h ASN 306 CO 0.09 0.80 0.27 0.03 -1.65 0.00 0.00 177.43 176.97 3dya h ARG 307 N 0.76 0.53 -0.79 0.81 3.08 -1.25 -1.51 114.38 116.01 3dya h ARG 307 Ca 0.18 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.23 3dya h ARG 307 Cb 0.29 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 3dya h ARG 307 CO -0.00 0.35 0.49 0.93 -1.07 0.00 0.00 179.97 180.67 3dya h GLU 308 N 0.55 0.92 -0.72 0.04 5.08 -1.54 -2.25 114.58 116.65 3dya h GLU 308 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dya h GLU 308 Cb -0.02 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3dya h GLU 308 CO -0.06 0.61 0.36 0.82 -1.00 0.00 0.00 179.01 179.74 3dya h ILE 309 N 0.94 1.23 0.00 3.13 2.04 -1.22 -2.85 117.51 120.78 3dya h ILE 309 Ca 0.33 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3dya h ILE 309 Cb 0.06 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3dya h ILE 309 CO -0.13 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.22 3dya h LEU 310 N 1.00 0.00 -1.22 1.44 3.38 -0.92 -2.36 115.31 116.62 3dya h LEU 310 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 3dya h LEU 310 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dya h LEU 310 CO -0.03 0.00 -0.39 0.11 0.09 0.00 0.00 178.44 178.22 3dya h LYS 311 N 0.00 0.00 -6.68 1.13 1.57 -1.17 -3.42 116.57 108.00 3dya h LYS 311 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3dya h LYS 311 Cb 0.60 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.93 3dya h LYS 311 CO 0.00 0.39 -0.07 -1.21 -0.57 0.00 0.00 179.45 177.99 3dya s GLU 312 N -4.15 3.53 0.94 3.15 8.01 -0.89 -5.01 118.70 124.27 3dya s GLU 312 Ca -0.03 -0.09 -0.11 0.00 0.01 0.00 0.00 54.97 54.75 3dya s GLU 312 Cb 0.14 -2.55 0.16 0.00 -4.31 0.00 0.00 34.13 27.57 3dya s GLU 312 CO 0.73 0.02 1.09 -1.25 0.01 0.00 0.00 175.26 175.86 3dya s PRO 313 N -4.39 0.87 -0.07 0.39 0.04 -1.26 -4.94 135.00 125.64 3dya s PRO 313 Ca 0.43 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3dya s PRO 313 Cb -0.10 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 3dya s PRO 313 CO 0.39 -2.56 1.42 0.08 0.04 0.00 0.00 177.00 176.37 3dya s VAL 314 N -2.78 3.88 -0.04 -0.36 1.01 -1.26 -4.97 120.40 115.88 3dya s VAL 314 Ca 0.65 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 3dya s VAL 314 Cb -0.20 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3dya s VAL 314 CO 0.59 -0.06 1.38 -2.28 0.00 0.00 0.00 175.10 174.73 3dya s HIS 315 N 3.19 2.80 0.00 5.22 2.46 -1.26 -3.60 115.29 124.10 3dya s HIS 315 Ca 0.63 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.99 3dya s HIS 315 Cb -0.29 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.53 3dya s HIS 315 CO 0.23 -2.34 0.00 0.41 -2.47 0.00 0.00 174.74 170.57 3dya n GLY 316 N 3.66 0.50 3.55 1.59 0.00 -1.26 -4.72 105.19 108.51 3dya n GLY 316 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3dya n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dya s VAL 317 N -2.00 4.39 0.04 1.61 -7.23 -1.24 -5.09 120.40 110.89 3dya s VAL 317 Ca 0.00 -0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 3dya s VAL 317 Cb 0.00 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 3dya s VAL 317 CO 0.00 0.45 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.84 3dya s TYR 318 N 0.63 0.72 0.08 2.82 1.51 -1.26 -4.96 117.35 116.89 3dya s TYR 318 Ca 0.01 -0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 3dya s TYR 318 Cb -0.14 -0.43 -0.08 0.00 -0.11 0.00 0.00 41.96 41.21 3dya s TYR 318 CO 0.02 -0.06 1.49 -0.47 -1.11 0.00 0.00 175.55 175.41 3dya s TYR 319 N -1.27 2.92 -0.33 2.71 5.04 -1.26 -5.00 117.35 120.16 3dya s TYR 319 Ca -0.08 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.19 3dya s TYR 319 Cb -0.09 -3.79 0.03 0.00 0.35 0.00 0.00 41.96 38.46 3dya s TYR 319 CO 0.01 -2.93 0.10 0.34 -1.34 0.00 0.00 175.55 171.72 3dya s ASP 320 N 1.62 5.26 0.53 4.32 -1.08 -1.26 -5.00 116.67 121.07 3dya s ASP 320 Ca 0.68 -1.02 0.36 0.00 -0.52 0.00 0.00 52.55 52.04 3dya s ASP 320 Cb -0.37 -1.87 1.85 0.00 -1.46 0.00 0.00 42.92 41.07 3dya s ASP 320 CO 0.30 -0.29 2.09 -0.65 0.52 0.00 0.00 175.17 177.14 3dya h PRO 321 N 8.22 0.00 -0.13 4.34 0.11 -2.01 -2.30 132.00 140.24 3dya h PRO 321 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dya h PRO 321 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3dya h PRO 321 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3dya n SER 322 N -2.81 1.13 -4.28 -2.05 3.41 -1.26 -4.89 113.62 102.86 3dya n SER 322 Ca -0.02 -1.67 -0.23 0.00 -0.26 0.00 0.00 58.87 56.69 3dya n SER 322 Cb 0.11 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 3dya n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dya s LYS 323 N -1.83 1.12 0.27 4.33 1.02 -0.87 -5.13 119.74 118.65 3dya s LYS 323 Ca 0.28 -1.18 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 3dya s LYS 323 Cb 0.15 -1.32 -0.09 0.00 -0.52 0.00 0.00 37.83 36.04 3dya s LYS 323 CO 0.22 0.30 1.09 -0.51 -0.92 0.00 0.00 175.35 175.53 3dya s ASP 324 N -2.02 7.29 0.17 2.83 1.01 -1.26 -4.91 116.67 119.79 3dya s ASP 324 Ca 0.07 2.24 -0.28 0.00 0.71 0.00 0.00 52.55 55.30 3dya s ASP 324 Cb -0.09 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 3dya s ASP 324 CO 0.04 -0.12 0.86 -0.76 0.21 0.00 0.00 175.17 175.40 3dya s LEU 325 N -1.39 4.59 0.07 1.23 1.43 -1.26 -4.56 118.68 118.78 3dya s LEU 325 Ca 0.44 1.75 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 3dya s LEU 325 Cb -0.31 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3dya s LEU 325 CO 0.40 0.13 -0.25 0.27 0.23 0.00 0.00 176.35 177.14 3dya s ILE 326 N -0.87 2.01 -0.11 -0.59 -5.25 0.20 -1.23 121.20 115.35 3dya s ILE 326 Ca 0.39 -1.44 0.02 0.00 -0.99 0.00 0.00 60.65 58.64 3dya s ILE 326 Cb -0.24 -1.75 0.01 0.00 2.95 0.00 0.00 42.46 43.44 3dya s ILE 326 CO 0.28 0.22 -0.18 0.00 -1.79 0.00 0.00 174.94 173.48 3dya s ALA 327 N -0.90 1.82 -0.08 2.27 0.00 -0.37 -1.69 121.76 122.80 3dya s ALA 327 Ca 0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3dya s ALA 327 Cb -0.10 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3dya s ALA 327 CO 0.03 0.03 -0.02 -1.21 0.00 0.00 0.00 175.76 174.60 3dya s GLU 328 N 0.78 2.96 -0.05 0.00 2.02 -0.39 -0.77 118.70 123.25 3dya s GLU 328 Ca -0.10 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.49 3dya s GLU 328 Cb -0.16 -2.75 -0.00 0.00 0.10 0.00 0.00 34.13 31.32 3dya s GLU 328 CO 0.01 0.68 -0.18 0.42 0.02 0.00 0.00 175.26 176.21 3dya s ILE 329 N -0.82 1.48 -0.12 -1.63 1.01 -1.23 -1.52 121.20 118.37 3dya s ILE 329 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3dya s ILE 329 Cb -0.11 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3dya s ILE 329 CO 0.02 0.43 -0.13 -1.10 0.00 0.00 0.00 174.94 174.15 3dya s GLN 330 N 0.09 3.27 -0.21 2.79 1.11 -0.20 -4.52 119.66 121.98 3dya s GLN 330 Ca -0.05 -0.69 -0.29 0.00 0.01 0.00 0.00 55.36 54.34 3dya s GLN 330 Cb -0.12 -2.60 -0.02 0.00 -1.01 0.00 0.00 33.01 29.26 3dya s GLN 330 CO 0.03 0.27 1.45 0.21 0.01 0.00 0.00 175.29 177.25 3dya s LYS 331 N 0.20 3.97 0.00 2.91 2.20 -1.26 -1.38 119.74 126.39 3dya s LYS 331 Ca -0.08 1.59 0.21 0.00 -0.36 0.00 0.00 55.97 57.34 3dya s LYS 331 Cb -0.15 -3.92 0.25 0.00 -1.51 0.00 0.00 37.83 32.49 3dya s LYS 331 CO 0.05 -1.06 1.24 1.04 -0.36 0.00 0.00 175.35 176.26 3dya n GLN 332 N 7.27 2.13 0.00 4.03 1.13 0.77 -4.98 117.38 127.72 3dya n GLN 332 Ca 0.16 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 3dya n GLN 332 Cb 0.45 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.37 3dya n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dya n GLY 333 N 1.26 -2.47 3.02 1.08 0.00 -1.19 -4.81 105.19 102.07 3dya n GLY 333 Ca 0.14 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 3dya n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dya n GLN 334 N -1.84 -4.46 -1.15 1.61 6.02 -1.26 -1.58 117.38 114.71 3dya n GLN 334 Ca 0.00 0.85 -0.05 0.00 -0.01 0.00 0.00 57.00 57.79 3dya n GLN 334 Cb 0.00 -5.68 -0.02 0.00 1.02 0.00 0.00 30.24 25.55 3dya n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dya n GLY 335 N -1.43 0.78 3.52 1.08 0.00 -1.26 -5.01 105.19 102.87 3dya n GLY 335 Ca -0.11 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 3dya n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dya s GLN 336 N -2.17 3.25 0.01 1.61 -1.52 -0.62 -4.26 119.66 115.97 3dya s GLN 336 Ca 0.00 -0.54 0.03 0.00 -1.95 0.00 0.00 55.36 52.89 3dya s GLN 336 Cb 0.00 -2.75 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 3dya s GLN 336 CO 0.00 0.43 -0.08 -1.58 -0.25 0.00 0.00 175.29 173.80 3dya s TRP 337 N -0.16 0.73 0.22 0.91 0.52 -0.14 -0.16 118.94 120.86 3dya s TRP 337 Ca 0.02 -0.23 0.10 0.00 0.02 0.00 0.00 56.10 56.01 3dya s TRP 337 Cb -0.13 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.69 3dya s TRP 337 CO 0.03 -0.02 -0.09 0.95 0.02 0.00 0.00 176.95 177.84 3dya s THR 338 N -0.51 3.15 0.08 2.01 -4.23 -0.48 -0.36 115.64 115.30 3dya s THR 338 Ca 0.00 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 3dya s THR 338 Cb -0.05 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.20 3dya s THR 338 CO 0.00 -0.23 0.32 -0.72 -0.54 0.00 0.00 174.62 173.45 3dya s TYR 339 N -2.00 -0.10 0.01 3.99 1.13 -0.56 -1.03 117.35 118.80 3dya s TYR 339 Ca 0.27 -0.14 0.03 0.00 -1.41 0.00 0.00 57.07 55.82 3dya s TYR 339 Cb -0.08 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.90 3dya s TYR 339 CO 0.16 -0.58 -0.09 -0.65 -2.51 0.00 0.00 175.55 171.89 3dya s GLN 340 N -3.16 0.64 -0.09 -3.49 1.11 -0.58 -1.23 119.66 112.86 3dya s GLN 340 Ca -0.01 -0.42 0.04 0.00 0.01 0.00 0.00 55.36 54.98 3dya s GLN 340 Cb 0.01 -0.59 0.00 0.00 -1.01 0.00 0.00 33.01 31.42 3dya s GLN 340 CO -0.07 0.15 -0.23 0.42 0.01 0.00 0.00 175.29 175.57 3dya s ILE 341 N -0.47 1.97 0.24 1.08 1.01 0.67 -1.26 121.20 124.44 3dya s ILE 341 Ca 0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 3dya s ILE 341 Cb -0.05 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 3dya s ILE 341 CO 0.00 0.54 0.47 -0.72 0.00 0.00 0.00 174.94 175.23 3dya s TYR 342 N 0.32 0.36 -0.12 3.97 -0.85 -0.68 0.87 117.35 121.21 3dya s TYR 342 Ca -0.17 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 55.66 3dya s TYR 342 Cb -0.17 0.18 -0.08 0.00 0.38 0.00 0.00 41.96 42.27 3dya s TYR 342 CO 0.08 -0.98 -0.11 1.04 -1.52 0.00 0.00 175.55 174.05 3dya n GLN 343 N -0.38 0.31 -3.90 -3.49 6.02 -1.26 -0.63 117.38 114.06 3dya n GLN 343 Ca -0.02 0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.68 3dya n GLN 343 Cb 0.62 -1.23 -0.07 0.00 1.02 0.00 0.00 30.24 30.58 3dya n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dya s GLU 344 N -2.25 3.54 0.09 -1.09 0.41 -1.26 -4.84 118.70 113.31 3dya s GLU 344 Ca -0.17 -0.17 -0.36 0.00 -0.41 0.00 0.00 54.97 53.86 3dya s GLU 344 Cb 0.04 -3.20 -0.16 0.00 -1.78 0.00 0.00 34.13 29.04 3dya s GLU 344 CO 0.28 0.69 1.40 -2.30 -0.49 0.00 0.00 175.26 174.84 3dya n PRO 345 N 2.28 1.36 -0.86 0.39 -0.02 -1.26 -1.30 135.00 135.59 3dya n PRO 345 Ca -0.19 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3dya n PRO 345 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3dya n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dya n PHE 346 N 2.79 0.00 -3.09 6.00 3.01 -1.26 -4.91 117.46 120.00 3dya n PHE 346 Ca 0.18 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.20 3dya n PHE 346 Cb 0.21 -1.32 0.00 0.00 -0.01 0.00 0.00 39.48 38.36 3dya n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3dya n LYS 347 N -0.83 3.56 -2.09 -1.08 5.02 -0.42 -4.61 118.16 117.70 3dya n LYS 347 Ca 0.00 -4.16 -0.42 0.00 -2.02 0.00 0.00 58.31 51.71 3dya n LYS 347 Cb 0.22 -2.77 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 3dya n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dya s ASN 348 N 1.64 6.74 0.04 4.39 0.01 -1.26 -4.26 114.94 122.24 3dya s ASN 348 Ca 0.36 2.19 -0.06 0.00 -0.71 0.00 0.00 52.86 54.64 3dya s ASN 348 Cb -0.05 -2.55 -0.30 0.00 0.41 0.00 0.00 41.25 38.77 3dya s ASN 348 CO -0.03 -0.84 1.00 -0.07 -1.51 0.00 0.00 177.10 175.65 3dya h LEU 349 N 9.35 0.50 -7.57 0.60 3.38 0.11 -3.44 115.31 118.24 3dya h LEU 349 Ca -0.38 -0.59 -0.11 0.00 0.09 0.00 0.00 57.88 56.89 3dya h LEU 349 Cb 1.17 -0.16 -0.19 0.00 0.09 0.00 0.00 40.66 41.57 3dya h LEU 349 CO 0.94 1.47 -0.30 -0.75 0.09 0.00 0.00 178.44 179.89 3dya s LYS 350 N -2.63 0.70 0.04 1.13 2.20 -0.94 -5.01 119.74 115.22 3dya s LYS 350 Ca -0.07 -0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 3dya s LYS 350 Cb 0.06 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 3dya s LYS 350 CO 0.89 -0.20 0.01 0.95 -0.36 0.00 0.00 175.35 176.64 3dya s THR 351 N -1.85 0.16 0.00 3.43 -4.23 -1.26 -0.24 115.64 111.64 3dya s THR 351 Ca -0.10 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3dya s THR 351 Cb -0.04 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.89 3dya s THR 351 CO 0.01 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3dya n GLY 352 N 0.79 2.09 3.21 3.99 0.00 -0.36 -2.50 105.19 112.42 3dya n GLY 352 Ca -0.19 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 3dya n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dya s LYS 353 N 0.51 0.85 -0.02 1.61 -2.85 -1.26 -1.49 119.74 117.09 3dya s LYS 353 Ca 0.00 -0.89 0.04 0.00 -1.00 0.00 0.00 55.97 54.12 3dya s LYS 353 Cb 0.00 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 3dya s LYS 353 CO 0.00 -0.27 -0.13 -0.47 0.10 0.00 0.00 175.35 174.57 3dya s TYR 354 N -3.69 1.26 -0.12 1.78 5.04 0.52 -4.97 117.35 117.18 3dya s TYR 354 Ca 0.03 -0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 54.34 3dya s TYR 354 Cb 0.04 -0.84 0.06 0.00 0.35 0.00 0.00 41.96 41.57 3dya s TYR 354 CO -0.10 -0.07 0.24 0.00 -1.34 0.00 0.00 175.55 174.28 3dya s ALA 355 N -0.14 -0.47 -0.04 3.97 0.00 -1.26 -0.97 121.76 122.85 3dya s ALA 355 Ca 0.02 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.91 3dya s ALA 355 Cb -0.07 -0.96 -0.11 0.00 0.00 0.00 0.00 23.12 21.98 3dya s ALA 355 CO 0.00 -0.61 0.10 0.25 0.00 0.00 0.00 175.76 175.51 3dya n THR 362 N 5.30 0.22 -4.51 0.00 -2.24 -1.26 -4.89 114.28 106.89 3dya n THR 362 Ca -0.07 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 3dya n THR 362 Cb 0.50 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 3dya n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dya s ASN 363 N -3.34 3.17 0.23 3.42 2.20 -1.26 -5.05 114.94 114.31 3dya s ASN 363 Ca -0.03 -1.30 -0.07 0.00 -0.94 0.00 0.00 52.86 50.52 3dya s ASN 363 Cb 0.04 -0.25 0.21 0.00 -2.00 0.00 0.00 41.25 39.25 3dya s ASN 363 CO 0.31 -0.42 1.87 0.44 -2.94 0.00 0.00 177.10 176.36 3dya h ASP 364 N 2.03 1.09 -0.20 3.54 5.19 -2.05 -1.51 116.42 124.51 3dya h ASP 364 Ca -0.42 -0.08 -0.21 0.00 -0.62 0.00 0.00 57.03 55.71 3dya h ASP 364 Cb 1.24 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.48 3dya h ASP 364 CO 0.73 0.85 -0.68 0.58 -3.12 0.00 0.00 179.24 177.60 3dya h VAL 365 N 1.24 1.28 -0.09 -1.35 2.07 -1.98 -1.30 116.25 116.11 3dya h VAL 365 Ca 0.32 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 3dya h VAL 365 Cb -0.03 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3dya h VAL 365 CO -0.06 0.60 0.04 0.50 0.02 0.00 0.00 177.57 178.67 3dya h LYS 366 N 0.57 0.14 -0.40 1.57 3.64 -1.92 -0.91 116.57 119.26 3dya h LYS 366 Ca -0.03 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3dya h LYS 366 Cb 1.30 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 3dya h LYS 366 CO 0.14 0.25 0.10 1.96 -2.27 0.00 0.00 179.45 179.63 3dya h GLN 367 N -0.01 0.23 -0.73 1.90 4.20 -1.27 -2.19 115.11 117.24 3dya h GLN 367 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3dya h GLN 367 Cb 0.16 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3dya h GLN 367 CO -0.00 0.15 0.44 1.25 -0.67 0.00 0.00 178.83 180.00 3dya h LEU 368 N 0.24 0.88 -0.93 1.46 5.85 -1.07 -1.66 115.31 120.09 3dya h LEU 368 Ca 0.19 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3dya h LEU 368 Cb 0.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3dya h LEU 368 CO -0.23 0.68 0.03 0.71 -0.34 0.00 0.00 178.44 179.29 3dya h THR 369 N 1.00 1.24 -0.69 1.05 1.35 -0.96 -0.42 112.91 115.47 3dya h THR 369 Ca 0.26 -0.97 -0.06 0.00 -0.55 0.00 0.00 66.41 65.09 3dya h THR 369 Cb -0.03 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 67.19 3dya h THR 369 CO -0.05 0.35 0.20 -0.33 -0.25 0.00 0.00 175.52 175.43 3dya h GLU 370 N 0.76 1.09 -0.48 4.72 5.08 -0.95 -1.92 114.58 122.87 3dya h GLU 370 Ca 0.15 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3dya h GLU 370 Cb 0.42 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3dya h GLU 370 CO 0.02 0.95 -0.05 0.00 -1.00 0.00 0.00 179.01 178.92 3dya h ALA 371 N 1.09 0.66 -0.81 3.43 0.00 -0.92 -1.08 119.26 121.63 3dya h ALA 371 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dya h ALA 371 Cb 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3dya h ALA 371 CO -0.00 0.51 0.53 0.28 0.00 0.00 0.00 179.25 180.57 3dya h VAL 372 N 0.74 1.21 -0.22 0.00 2.07 -0.87 0.45 116.25 119.63 3dya h VAL 372 Ca 0.13 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 67.07 3dya h VAL 372 Cb 0.59 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3dya h VAL 372 CO 0.04 0.21 -0.58 1.56 0.02 0.00 0.00 177.57 178.82 3dya h GLN 373 N 1.10 0.77 -0.11 1.57 4.20 -1.22 -0.41 115.11 121.01 3dya h GLN 373 Ca 0.30 -0.54 0.02 0.00 0.06 0.00 0.00 58.65 58.48 3dya h GLN 373 Cb -0.11 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3dya h GLN 373 CO -0.06 1.16 0.01 -0.22 -0.67 0.00 0.00 178.83 179.05 3dya h LYS 374 N 0.51 0.05 -0.57 1.46 3.64 -0.96 -1.30 116.57 119.40 3dya h LYS 374 Ca -0.01 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3dya h LYS 374 Cb 1.19 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3dya h LYS 374 CO 0.12 0.04 0.06 0.82 -2.27 0.00 0.00 179.45 178.22 3dya h ILE 375 N 0.06 1.26 -0.35 2.00 2.04 -0.83 -2.12 117.51 119.58 3dya h ILE 375 Ca 0.05 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.89 3dya h ILE 375 Cb 0.05 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3dya h ILE 375 CO -0.08 0.38 0.18 0.74 0.00 0.00 0.00 178.15 179.37 3dya h THR 376 N 0.86 1.00 -0.56 -0.27 2.02 -1.02 -1.89 112.91 113.04 3dya h THR 376 Ca 0.17 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3dya h THR 376 Cb 0.47 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3dya h THR 376 CO 0.02 0.07 0.35 0.74 0.37 0.00 0.00 175.52 177.07 3dya h THR 377 N 0.37 1.09 -0.63 3.16 2.02 -1.02 -0.26 112.91 117.65 3dya h THR 377 Ca 0.14 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3dya h THR 377 Cb 0.04 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3dya h THR 377 CO -0.09 0.13 0.40 -0.33 0.37 0.00 0.00 175.52 176.00 3dya h GLU 378 N 0.71 0.84 -0.68 6.66 5.08 -1.26 -1.89 114.58 124.04 3dya h GLU 378 Ca 0.22 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3dya h GLU 378 Cb -0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3dya h GLU 378 CO -0.08 0.57 0.30 1.03 -1.00 0.00 0.00 179.01 179.84 3dya h SER 379 N 0.85 0.91 -0.48 1.42 0.87 -0.73 -0.04 113.55 116.35 3dya h SER 379 Ca 0.23 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3dya h SER 379 Cb -0.07 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3dya h SER 379 CO -0.05 0.81 0.30 0.40 -0.53 0.00 0.00 176.83 177.77 3dya h ILE 380 N 0.95 1.08 -0.37 2.23 2.04 -0.78 0.16 117.51 122.83 3dya h ILE 380 Ca 0.23 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3dya h ILE 380 Cb 0.16 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3dya h ILE 380 CO -0.02 0.11 -0.01 0.58 0.00 0.00 0.00 178.15 178.80 3dya h VAL 381 N 0.61 1.26 -0.00 1.67 2.07 -0.97 0.57 116.25 121.46 3dya h VAL 381 Ca 0.19 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3dya h VAL 381 Cb -0.02 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3dya h VAL 381 CO -0.07 0.34 -0.04 0.40 0.02 0.00 0.00 177.57 178.23 3dya h ILE 382 N 0.47 1.57 -0.00 4.57 2.04 -0.96 -3.36 117.51 121.84 3dya h ILE 382 Ca 0.10 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.25 3dya h ILE 382 Cb 0.49 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3dya h ILE 382 CO 0.02 0.45 -0.28 0.79 0.00 0.00 0.00 178.15 179.14 3dya n TRP 383 N -4.71 0.00 -1.23 1.37 8.01 0.53 -4.94 117.44 116.47 3dya n TRP 383 Ca -0.09 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.02 3dya n TRP 383 Cb 0.37 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.64 3dya n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dya n GLY 384 N 1.12 0.99 3.43 6.99 0.00 0.19 -4.97 105.19 112.93 3dya n GLY 384 Ca 0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 3dya n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dya s LYS 385 N -2.57 1.37 0.05 1.61 -2.85 -1.24 -4.94 119.74 111.18 3dya s LYS 385 Ca 0.00 -1.34 -0.03 0.00 -1.00 0.00 0.00 55.97 53.60 3dya s LYS 385 Cb 0.00 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 3dya s LYS 385 CO 0.00 -0.52 0.25 0.95 0.10 0.00 0.00 175.35 176.13 3dya s THR 386 N -4.05 5.34 0.48 3.79 -4.23 -1.26 -2.87 115.64 112.84 3dya s THR 386 Ca 0.26 -0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.51 3dya s THR 386 Cb 0.02 -3.60 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 3dya s THR 386 CO 0.08 0.20 0.85 -2.16 -0.54 0.00 0.00 174.62 173.05 3dya s PRO 387 N -2.29 3.72 -0.18 3.99 0.04 -1.26 -4.62 135.00 134.40 3dya s PRO 387 Ca 0.33 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.64 3dya s PRO 387 Cb -0.13 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 3dya s PRO 387 CO 0.23 -0.20 0.94 0.21 0.04 0.00 0.00 177.00 178.22 3dya s LYS 388 N -4.31 4.30 0.14 4.56 2.20 -0.37 -4.15 119.74 122.11 3dya s LYS 388 Ca 0.52 1.21 -0.18 0.00 -0.36 0.00 0.00 55.97 57.16 3dya s LYS 388 Cb -0.10 -3.60 -0.07 0.00 -1.51 0.00 0.00 37.83 32.55 3dya s LYS 388 CO 0.38 -0.44 0.61 -0.06 -0.36 0.00 0.00 175.35 175.48 3dya s PHE 389 N 2.53 3.71 -0.42 4.03 0.40 0.03 -1.24 117.98 127.02 3dya s PHE 389 Ca 0.42 1.25 -0.10 0.00 -0.60 0.00 0.00 56.93 57.91 3dya s PHE 389 Cb -0.16 -2.50 0.08 0.00 0.51 0.00 0.00 43.02 40.94 3dya s PHE 389 CO 0.11 0.47 0.27 0.15 0.70 0.00 0.00 175.22 176.91 3dya s LYS 390 N -1.62 2.63 -0.23 0.44 1.02 0.05 -0.73 119.74 121.31 3dya s LYS 390 Ca 0.36 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.84 3dya s LYS 390 Cb -0.17 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 3dya s LYS 390 CO 0.20 -0.95 0.07 -0.51 -0.92 0.00 0.00 175.35 173.24 3dya s LEU 391 N 1.44 3.56 -1.44 3.17 1.43 -0.63 -3.54 118.68 122.68 3dya s LEU 391 Ca 0.03 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3dya s LEU 391 Cb -0.23 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.10 3dya s LEU 391 CO 0.03 0.03 2.17 -0.81 0.23 0.00 0.00 176.35 177.99 3dya n PRO 392 N 4.50 2.91 -3.49 1.29 -0.04 -1.26 -0.92 135.00 137.98 3dya n PRO 392 Ca -0.16 -2.70 -0.13 0.00 -0.04 0.00 0.00 63.50 60.48 3dya n PRO 392 Cb 0.52 -3.30 -0.04 0.00 -0.04 0.00 0.00 33.50 30.64 3dya n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dya s ILE 393 N 3.25 0.00 0.17 0.52 2.07 -1.25 -5.00 121.20 120.96 3dya s ILE 393 Ca 0.48 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.41 3dya s ILE 393 Cb 0.13 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.64 3dya s ILE 393 CO -0.07 0.00 1.31 -1.58 -1.91 0.00 0.00 174.94 172.69 3dya s GLN 394 N -2.49 4.39 0.20 3.50 0.74 -1.26 -4.38 119.66 120.36 3dya s GLN 394 Ca -0.02 2.02 -0.14 0.00 0.05 0.00 0.00 55.36 57.27 3dya s GLN 394 Cb -0.01 -3.22 0.20 0.00 1.10 0.00 0.00 33.01 31.09 3dya s GLN 394 CO -0.03 -0.28 1.64 -0.22 -0.55 0.00 0.00 175.29 175.85 3dya h LYS 395 N 5.77 0.01 -0.28 1.67 3.64 -1.97 -1.87 116.57 123.54 3dya h LYS 395 Ca -0.44 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.83 3dya h LYS 395 Cb 1.21 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3dya h LYS 395 CO 0.79 0.01 -0.29 0.93 -2.27 0.00 0.00 179.45 178.61 3dya h GLU 396 N 0.01 0.58 -0.03 1.90 3.07 -1.98 0.22 114.58 118.36 3dya h GLU 396 Ca 0.28 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3dya h GLU 396 Cb 0.42 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3dya h GLU 396 CO -0.58 0.81 0.00 1.15 -1.40 0.00 0.00 179.01 179.00 3dya h THR 397 N 0.50 1.22 0.09 1.13 2.02 -1.83 0.68 112.91 116.73 3dya h THR 397 Ca 0.06 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3dya h THR 397 Cb 0.76 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3dya h THR 397 CO 0.06 0.18 -0.15 -0.25 0.37 0.00 0.00 175.52 175.73 3dya h TRP 398 N -0.22 -0.39 0.00 3.16 2.91 -1.11 -1.31 115.95 118.99 3dya h TRP 398 Ca 0.01 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 3dya h TRP 398 Cb 0.28 0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 3dya h TRP 398 CO 0.02 -0.23 -0.16 0.93 -1.03 0.00 0.00 178.44 177.97 3dya h GLU 399 N -0.30 0.00 -0.24 2.65 5.08 -0.51 -0.19 114.58 121.07 3dya h GLU 399 Ca 0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3dya h GLU 399 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dya h GLU 399 CO -0.08 0.16 -0.59 1.15 -1.00 0.00 0.00 179.01 178.65 3dya h THR 400 N 0.00 1.29 0.00 1.13 2.02 -0.51 -3.40 112.91 113.44 3dya h THR 400 Ca -0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 3dya h THR 400 Cb 0.34 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3dya h THR 400 CO 0.02 0.58 -1.57 0.79 0.37 0.00 0.00 175.52 175.70 3dya n TRP 401 N -3.98 0.00 -0.36 3.16 7.02 -0.52 -4.73 117.44 118.02 3dya n TRP 401 Ca -0.05 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.42 3dya n TRP 401 Cb 0.65 -0.29 0.13 0.00 -2.42 0.00 0.00 31.31 29.38 3dya n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 3dya h TRP 402 N 0.00 1.23 0.00 -5.99 5.08 -1.29 -1.37 115.95 113.61 3dya h TRP 402 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3dya h TRP 402 Cb 0.59 -0.41 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 3dya h TRP 402 CO 0.00 0.77 0.00 1.79 -1.28 0.00 0.00 178.44 179.72 3dya h THR 403 N 1.32 0.00 0.00 0.12 1.35 -1.85 -1.05 112.91 112.80 3dya h THR 403 Ca 0.36 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.93 3dya h THR 403 Cb -0.14 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3dya h THR 403 CO -0.08 0.00 -0.06 -0.08 -0.25 0.00 0.00 175.52 175.05 3dya h GLU 404 N 0.00 0.00 0.00 4.72 4.57 -1.56 -3.28 114.58 119.03 3dya h GLU 404 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dya h GLU 404 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3dya h GLU 404 CO 0.00 0.06 -0.33 0.66 -1.18 0.00 0.00 179.01 178.22 3dya n TYR 405 N -3.51 0.00 -1.70 0.92 4.01 -0.76 -5.00 117.16 111.12 3dya n TYR 405 Ca -0.02 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.28 3dya n TYR 405 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3dya n TYR 405 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3dya n TRP 406 N -0.77 2.54 0.00 -0.72 -0.00 -0.47 -4.92 117.44 113.10 3dya n TRP 406 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.71 3dya n TRP 406 Cb 0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 31.31 28.72 3dya n TRP 406 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3dya n GLN 407 N 3.16 2.70 -1.41 5.87 1.13 -1.26 -4.43 117.38 123.14 3dya n GLN 407 Ca 0.14 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.91 3dya n GLN 407 Cb 0.33 -0.77 0.13 0.00 0.11 0.00 0.00 30.24 30.04 3dya n GLN 407 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dya s ALA 408 N -1.47 1.76 -1.09 -1.58 0.00 -1.26 -4.99 121.76 113.13 3dya s ALA 408 Ca 0.00 -0.28 0.17 0.00 0.00 0.00 0.00 51.96 51.84 3dya s ALA 408 Cb 0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 3dya s ALA 408 CO 0.00 -2.19 0.77 0.25 0.00 0.00 0.00 175.76 174.59 3dya n THR 409 N -3.74 0.00 -3.36 0.00 -2.24 -1.26 -4.94 114.28 98.74 3dya n THR 409 Ca 0.07 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 3dya n THR 409 Cb 0.57 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 3dya n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3dya s TRP 410 N -2.31 2.84 -0.06 4.78 1.48 -1.26 -4.62 118.94 119.78 3dya s TRP 410 Ca 0.09 -0.39 -0.02 0.00 -1.06 0.00 0.00 56.10 54.73 3dya s TRP 410 Cb 0.13 -2.18 0.03 0.00 -1.16 0.00 0.00 33.47 30.29 3dya s TRP 410 CO 0.57 -0.18 0.03 0.42 -4.06 0.00 0.00 176.95 173.73 3dya s ILE 411 N -2.36 0.16 0.76 0.66 1.01 -1.26 -5.05 121.20 115.12 3dya s ILE 411 Ca 0.49 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.28 3dya s ILE 411 Cb -0.07 -0.35 0.05 0.00 0.01 0.00 0.00 42.46 42.09 3dya s ILE 411 CO 0.30 0.22 1.08 -2.16 0.00 0.00 0.00 174.94 174.39 3dya s PRO 412 N 2.00 2.36 0.34 2.79 0.04 -1.26 -4.90 135.00 136.36 3dya s PRO 412 Ca 0.04 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 3dya s PRO 412 Cb -0.12 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3dya s PRO 412 CO -0.04 -1.46 1.14 -1.21 0.04 0.00 0.00 177.00 175.48 3dya s GLU 413 N -5.11 4.37 0.08 4.56 0.41 -1.26 -4.95 118.70 116.80 3dya s GLU 413 Ca 0.60 1.84 -0.04 0.00 -0.41 0.00 0.00 54.97 56.96 3dya s GLU 413 Cb -0.14 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.23 3dya s GLU 413 CO 0.55 -0.04 0.06 1.67 -0.49 0.00 0.00 175.26 177.00 3dya s TRP 414 N -1.29 0.44 0.29 1.61 -2.14 -1.26 -0.79 118.94 115.79 3dya s TRP 414 Ca 0.50 -0.93 0.04 0.00 2.66 0.00 0.00 56.10 58.38 3dya s TRP 414 Cb -0.32 -0.28 -0.03 0.00 -3.10 0.00 0.00 33.47 29.74 3dya s TRP 414 CO 0.40 -0.46 0.21 -1.83 -2.66 0.00 0.00 176.95 172.62 3dya s GLU 415 N -3.92 1.57 -0.10 3.25 -1.05 0.09 -4.88 118.70 113.65 3dya s GLU 415 Ca 0.09 -1.89 0.03 0.00 -0.15 0.00 0.00 54.97 53.05 3dya s GLU 415 Cb 0.07 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3dya s GLU 415 CO -0.08 -0.54 -0.21 -0.06 0.95 0.00 0.00 175.26 175.31 3dya s PHE 416 N -3.68 2.61 0.05 4.83 0.08 -1.26 -1.60 117.98 119.01 3dya s PHE 416 Ca 0.39 -0.90 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3dya s PHE 416 Cb 0.04 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3dya s PHE 416 CO 0.21 -0.34 -0.07 0.54 -0.10 0.00 0.00 175.22 175.47 3dya s VAL 417 N 0.27 0.50 -0.34 -0.44 0.11 -0.10 -4.86 120.40 115.54 3dya s VAL 417 Ca -0.15 -1.27 -0.17 0.00 -2.93 0.00 0.00 61.98 57.46 3dya s VAL 417 Cb -0.17 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3dya s VAL 417 CO 0.07 -0.53 0.47 0.20 -3.33 0.00 0.00 175.10 171.99 3dya s ASN 418 N -1.93 6.29 0.00 3.54 0.01 -1.26 -3.90 114.94 117.68 3dya s ASN 418 Ca -0.05 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 3dya s ASN 418 Cb -0.06 -2.25 -0.08 0.00 0.41 0.00 0.00 41.25 39.27 3dya s ASN 418 CO -0.01 -0.43 1.84 -0.89 -1.51 0.00 0.00 177.10 176.10 3dya s THR 419 N 2.29 3.23 0.25 1.60 2.01 -1.26 -4.95 115.64 118.82 3dya s THR 419 Ca 0.17 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 62.15 3dya s THR 419 Cb -0.16 -3.19 -0.12 0.00 0.01 0.00 0.00 72.50 69.04 3dya s THR 419 CO 0.13 -0.03 1.55 -2.65 -0.69 0.00 0.00 174.62 172.93 3dya n PRO 420 N 7.35 2.44 0.26 4.92 -0.02 -1.26 -4.86 135.00 143.83 3dya n PRO 420 Ca 0.19 0.87 0.15 0.00 -2.02 0.00 0.00 63.50 62.69 3dya n PRO 420 Cb 0.42 -2.62 0.60 0.00 -0.02 0.00 0.00 33.50 31.88 3dya n PRO 420 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dya h PRO 421 N 5.01 0.00 0.14 0.52 0.13 -2.02 -2.85 132.00 132.92 3dya h PRO 421 Ca -0.46 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 3dya h PRO 421 Cb 1.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 3dya h PRO 421 CO 0.81 0.08 -0.98 -0.07 -0.23 0.00 0.00 178.00 177.62 3dya h LEU 422 N 0.00 0.62 -1.25 1.56 3.38 -2.00 -3.28 115.31 114.33 3dya h LEU 422 Ca -0.00 -0.90 0.13 0.00 0.09 0.00 0.00 57.88 57.20 3dya h LEU 422 Cb 0.59 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3dya h LEU 422 CO 0.01 1.46 0.57 -0.37 0.09 0.00 0.00 178.44 180.21 3dya h VAL 423 N -0.13 0.87 -0.86 1.22 -1.51 -1.89 0.44 116.25 114.39 3dya h VAL 423 Ca -0.16 -0.26 0.05 0.00 -1.23 0.00 0.00 66.70 65.10 3dya h VAL 423 Cb 1.74 0.05 -0.05 0.00 -2.13 0.00 0.00 31.29 30.90 3dya h VAL 423 CO 0.18 0.14 0.56 0.50 -1.23 0.00 0.00 177.57 177.72 3dya h LYS 424 N 0.75 0.97 -0.16 5.19 3.11 -1.63 -2.55 116.57 122.25 3dya h LYS 424 Ca 0.44 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 58.12 3dya h LYS 424 Cb 0.63 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 3dya h LYS 424 CO -0.20 0.64 -0.37 1.25 -2.81 0.00 0.00 179.45 177.96 3dya h LEU 425 N 1.00 0.35 0.00 5.20 5.85 -0.19 -3.13 115.31 124.39 3dya h LEU 425 Ca 0.36 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3dya h LEU 425 Cb 0.14 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3dya h LEU 425 CO -0.12 0.70 -0.09 -0.50 -0.34 0.00 0.00 178.44 178.09 3dya h TRP 426 N 0.29 0.00 -0.57 1.25 6.55 -1.00 -3.19 115.95 119.29 3dya h TRP 426 Ca 0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3dya h TRP 426 Cb 0.79 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.09 3dya h TRP 426 CO 0.02 0.05 0.00 0.66 -1.05 0.00 0.00 178.44 178.12 3dya n TYR 427 N -3.10 1.86 0.00 0.49 4.01 -1.15 -4.65 117.16 114.63 3dya n TYR 427 Ca 0.04 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 3dya n TYR 427 Cb 0.55 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3dya n TYR 427 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34