#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wda h ASP 25 N 0.00 0.04 -0.38 0.00 -0.00 -2.05 -2.02 116.42 112.01 2wda h ASP 25 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 56.90 2wda h ASP 25 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 2wda h ASP 25 CO 0.00 0.02 -0.26 1.55 -0.00 0.00 0.00 179.24 180.56 2wda h PRO 26 N 0.05 0.90 -0.46 0.28 0.13 -2.02 0.17 132.00 131.05 2wda h PRO 26 Ca 0.18 -0.39 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 2wda h PRO 26 Cb 0.67 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 2wda h PRO 26 CO -0.01 1.05 0.16 1.88 -0.23 0.00 0.00 178.00 180.85 2wda h TYR 27 N 0.77 0.72 -0.74 1.56 0.05 -1.84 -2.04 116.97 115.45 2wda h TYR 27 Ca 0.09 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 2wda h TYR 27 Cb 0.81 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 2wda h TYR 27 CO 0.05 0.63 0.25 -0.44 -1.05 0.00 0.00 178.16 177.60 2wda h ASP 28 N 0.60 1.06 -0.46 3.88 3.32 -1.30 -0.92 116.42 122.59 2wda h ASP 28 Ca 0.15 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2wda h ASP 28 Cb 0.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2wda h ASP 28 CO -0.01 0.98 0.23 0.00 -1.72 0.00 0.00 179.24 178.72 2wda h ALA 29 N 1.13 0.60 -0.80 3.45 0.00 -0.88 -0.79 119.26 121.97 2wda h ALA 29 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2wda h ALA 29 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wda h ALA 29 CO -0.01 0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.71 2wda h LEU 30 N 0.61 1.03 -0.38 0.00 3.38 -1.12 -0.79 115.31 118.03 2wda h LEU 30 Ca 0.16 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2wda h LEU 30 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wda h LEU 30 CO -0.02 0.87 0.05 -0.09 0.09 0.00 0.00 178.44 179.34 2wda h ARG 31 N 1.13 0.63 -0.71 1.13 2.43 -0.86 0.95 114.38 119.09 2wda h ARG 31 Ca 0.27 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2wda h ARG 31 Cb 0.11 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2wda h ARG 31 CO -0.04 0.70 0.32 0.00 -1.51 0.00 0.00 179.97 179.45 2wda h ARG 32 N 0.47 1.03 -0.61 0.20 3.08 -0.84 -1.54 114.38 116.17 2wda h ARG 32 Ca 0.11 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2wda h ARG 32 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2wda h ARG 32 CO 0.01 0.82 0.02 -0.09 -1.07 0.00 0.00 179.97 179.66 2wda h ARG 33 N 0.99 1.07 -0.87 0.04 2.43 -0.65 -1.44 114.38 115.96 2wda h ARG 33 Ca 0.24 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2wda h ARG 33 Cb 0.15 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2wda h ARG 33 CO -0.03 1.03 0.57 2.35 -1.51 0.00 0.00 179.97 182.39 2wda h TRP 34 N 0.97 1.07 -0.15 2.20 2.91 -0.49 -1.79 115.95 120.68 2wda h TRP 34 Ca 0.18 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.13 2wda h TRP 34 Cb 0.54 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2wda h TRP 34 CO 0.04 0.65 -0.32 -0.07 -1.03 0.00 0.00 178.44 177.71 2wda h LEU 35 N 1.13 0.29 -0.57 0.65 3.38 -0.71 -0.26 115.31 119.22 2wda h LEU 35 Ca 0.33 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 2wda h LEU 35 Cb -0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2wda h LEU 35 CO -0.08 0.60 -0.05 1.23 0.09 0.00 0.00 178.44 180.22 2wda h GLY 36 N 1.07 1.12 1.28 0.83 0.00 -0.46 0.21 103.07 107.12 2wda h GLY 36 Ca 0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 47.33 46.36 2wda h GLY 36 CO 0.05 0.79 -0.35 -2.22 0.00 0.00 0.00 176.54 174.81 2wda h ILE 37 N 0.93 1.28 0.06 2.60 2.04 -1.09 -1.26 117.51 122.07 2wda h ILE 37 Ca 0.16 -1.52 -0.30 0.00 1.00 0.00 0.00 64.86 64.20 2wda h ILE 37 Cb 0.61 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2wda h ILE 37 CO 0.04 0.50 -1.58 0.74 0.00 0.00 0.00 178.15 177.85 2wda h THR 38 N 0.66 1.06 0.00 -0.27 2.02 -0.89 -3.40 112.91 112.10 2wda h THR 38 Ca 0.06 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.45 2wda h THR 38 Cb 0.91 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2wda h THR 38 CO 0.08 0.74 -0.58 0.18 0.37 0.00 0.00 175.52 176.31 2wda n LEU 39 N -3.31 0.10 0.00 2.58 4.77 0.71 -4.64 117.00 117.21 2wda n LEU 39 Ca -0.16 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2wda n LEU 39 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 2wda n LEU 39 CO 0.47 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2wda n GLY 40 N 1.58 0.48 3.44 -0.72 0.00 -0.48 -4.29 105.19 105.20 2wda n GLY 40 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2wda n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wda s THR 41 N -2.98 -0.00 -0.70 2.61 -1.32 -1.26 -4.83 115.64 107.16 2wda s THR 41 Ca 0.00 0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 2wda s THR 41 Cb 0.00 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 2wda s THR 41 CO 0.00 0.01 0.59 0.61 -2.21 0.00 0.00 174.62 173.62 2wda n GLY 42 N 3.20 0.03 3.24 6.08 0.00 -1.26 -5.02 105.19 111.47 2wda n GLY 42 Ca -0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2wda n GLY 42 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wda s TYR 43 N -3.19 1.22 -0.35 1.61 -0.85 -1.26 -5.13 117.35 109.40 2wda s TYR 43 Ca 0.10 -0.92 -0.13 0.00 -0.52 0.00 0.00 57.07 55.60 2wda s TYR 43 Cb -0.04 -0.68 -0.01 0.00 0.38 0.00 0.00 41.96 41.60 2wda s TYR 43 CO 0.41 -0.10 0.25 0.34 -1.52 0.00 0.00 175.55 174.92 2wda s ASP 44 N -3.17 6.05 0.59 -0.18 2.15 -1.26 -4.95 116.67 115.90 2wda s ASP 44 Ca 0.21 -0.51 0.39 0.00 0.43 0.00 0.00 52.55 53.07 2wda s ASP 44 Cb 0.05 -2.14 2.02 0.00 -0.30 0.00 0.00 42.92 42.55 2wda s ASP 44 CO 0.02 -0.27 2.19 -0.65 -0.17 0.00 0.00 175.17 176.29 2wda h PRO 45 N 8.51 0.00 0.00 4.34 0.11 -1.95 0.07 132.00 143.07 2wda h PRO 45 Ca -0.31 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 2wda h PRO 45 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wda h PRO 45 CO 0.65 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.16 2wda h ALA 46 N 2.01 0.87 -2.26 -0.75 0.00 -1.94 -3.13 119.26 114.05 2wda h ALA 46 Ca 0.00 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 54.19 2wda h ALA 46 Cb 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wda h ALA 46 CO 0.00 0.35 0.37 0.00 0.00 0.00 0.00 179.25 179.98 2wda s ALA 47 N -3.26 2.91 0.33 0.00 0.00 0.01 -4.62 121.76 117.12 2wda s ALA 47 Ca 0.03 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.31 2wda s ALA 47 Cb 0.08 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 2wda s ALA 47 CO 0.69 -0.22 0.90 -1.21 0.00 0.00 0.00 175.76 175.91 2wda s GLU 48 N -3.25 4.41 0.00 0.00 0.41 -1.26 -0.37 118.70 118.64 2wda s GLU 48 Ca 0.66 1.16 0.26 0.00 -0.41 0.00 0.00 54.97 56.64 2wda s GLU 48 Cb -0.15 -2.64 0.78 0.00 -1.78 0.00 0.00 34.13 30.35 2wda s GLU 48 CO 0.19 0.22 1.59 -0.35 -0.49 0.00 0.00 175.26 176.42 2wda n PRO 49 N 0.24 1.87 -0.26 0.39 -0.04 -1.26 -4.88 135.00 131.05 2wda n PRO 49 Ca 0.03 -1.27 0.07 0.00 -0.04 0.00 0.00 63.50 62.29 2wda n PRO 49 Cb 0.51 -1.47 0.20 0.00 -0.04 0.00 0.00 33.50 32.71 2wda n PRO 49 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wda h TYR 50 N 3.00 0.24 -0.19 0.54 0.05 -1.80 -2.40 116.97 116.41 2wda h TYR 50 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2wda h TYR 50 Cb 0.64 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 2wda h TYR 50 CO 0.02 -0.14 0.12 0.00 -1.05 0.00 0.00 178.16 177.11 2wda h ALA 51 N 1.67 0.24 -0.14 3.88 0.00 -0.65 0.97 119.26 125.23 2wda h ALA 51 Ca 0.45 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.22 2wda h ALA 51 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2wda h ALA 51 CO -0.57 -0.29 -0.47 0.77 0.00 0.00 0.00 179.25 178.69 2wda h SER 52 N 0.25 0.39 -0.40 0.00 0.02 -1.80 -1.01 113.55 111.00 2wda h SER 52 Ca 0.07 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2wda h SER 52 Cb -0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wda h SER 52 CO -0.02 0.80 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.26 2wda h ARG 53 N 0.29 0.79 -0.61 3.45 9.65 -0.89 -0.61 114.38 126.45 2wda h ARG 53 Ca 0.02 -0.32 -0.10 0.00 -1.10 0.00 0.00 59.98 58.48 2wda h ARG 53 Cb 0.94 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 2wda h ARG 53 CO 0.08 0.94 0.00 -0.07 2.80 0.00 0.00 179.97 183.72 2wda h LEU 54 N 0.61 1.05 -0.73 3.80 3.38 -0.78 -1.98 115.31 120.66 2wda h LEU 54 Ca 0.10 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2wda h LEU 54 Cb 0.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2wda h LEU 54 CO 0.05 1.10 0.19 0.00 0.09 0.00 0.00 178.44 179.87 2wda h ALA 55 N 0.99 0.96 -0.04 1.53 0.00 -1.00 -1.20 119.26 120.50 2wda h ALA 55 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2wda h ALA 55 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wda h ALA 55 CO 0.03 0.67 -0.41 0.93 0.00 0.00 0.00 179.25 180.47 2wda h GLU 56 N 1.10 0.08 -0.12 0.00 5.08 -0.91 -1.69 114.58 118.12 2wda h GLU 56 Ca 0.23 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2wda h GLU 56 Cb 0.36 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2wda h GLU 56 CO -0.00 0.48 -0.18 1.15 -1.00 0.00 0.00 179.01 179.46 2wda h THR 57 N 0.07 1.38 -0.55 1.13 2.02 -0.77 -1.52 112.91 114.67 2wda h THR 57 Ca 0.00 -1.43 0.10 0.00 0.77 0.00 0.00 66.41 65.86 2wda h THR 57 Cb 0.76 2.03 -0.11 0.00 -1.74 0.00 0.00 68.15 69.10 2wda h THR 57 CO 0.06 0.41 -0.33 1.23 0.37 0.00 0.00 175.52 177.26 2wda h GLY 58 N -0.09 -0.12 1.00 2.16 0.00 -0.99 0.11 103.07 105.14 2wda h GLY 58 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2wda h GLY 58 CO 0.04 -0.21 0.31 0.83 0.00 0.00 0.00 176.54 177.52 2wda h GLU 59 N -0.18 0.65 -0.78 4.80 5.08 -1.21 0.08 114.58 123.04 2wda h GLU 59 Ca 0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2wda h GLU 59 Cb 0.54 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2wda h GLU 59 CO -0.65 0.45 0.46 0.00 -1.00 0.00 0.00 179.01 178.27 2wda h ARG 60 N 0.66 1.06 -0.24 2.33 3.08 -0.85 -2.50 114.38 117.93 2wda h ARG 60 Ca 0.18 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.15 2wda h ARG 60 Cb -0.05 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 2wda h ARG 60 CO -0.04 0.76 0.07 0.00 -1.07 0.00 0.00 179.97 179.70 2wda h ALA 61 N 1.24 0.26 -0.70 0.04 0.00 -0.38 0.11 119.26 119.83 2wda h ALA 61 Ca 0.28 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2wda h ALA 61 Cb -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2wda h ALA 61 CO -0.05 -0.35 0.39 0.00 0.00 0.00 0.00 179.25 179.25 2wda h ARG 62 N 0.18 0.70 -0.00 0.00 3.08 -0.78 0.14 114.38 117.69 2wda h ARG 62 Ca 0.10 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.93 2wda h ARG 62 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2wda h ARG 62 CO -0.12 0.46 -0.84 1.49 -1.07 0.00 0.00 179.97 179.90 2wda h GLU 63 N 0.72 0.12 -0.41 0.04 4.81 -1.10 -1.79 114.58 116.97 2wda h GLU 63 Ca 0.31 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2wda h GLU 63 Cb 0.20 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2wda h GLU 63 CO -0.19 0.88 -0.00 0.45 -0.73 0.00 0.00 179.01 179.42 2wda h HIS 64 N 0.07 0.80 -0.25 0.92 3.86 0.29 -2.36 115.15 118.48 2wda h HIS 64 Ca -0.03 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2wda h HIS 64 Cb 1.45 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.67 2wda h HIS 64 CO 0.02 0.80 -0.03 -0.09 0.86 0.00 0.00 177.93 179.48 2wda h ARG 65 N 0.56 0.03 0.00 2.45 2.43 -0.71 -1.60 114.38 117.54 2wda h ARG 65 Ca 0.12 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2wda h ARG 65 Cb 0.49 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2wda h ARG 65 CO 0.02 0.02 -0.09 0.00 -1.51 0.00 0.00 179.97 178.41 2wda h ALA 66 N 1.23 1.78 -0.01 2.80 0.00 -1.11 -3.00 119.26 120.95 2wda h ALA 66 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wda h ALA 66 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wda h ALA 66 CO -0.23 0.12 -0.59 0.25 0.00 0.00 0.00 179.25 178.80 2wda n THR 67 N -4.33 0.00 -1.70 0.00 -2.24 -0.91 -4.98 114.28 100.13 2wda n THR 67 Ca -0.03 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 2wda n THR 67 Cb 0.17 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 2wda n THR 67 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2wda n MET 68 N -0.79 2.24 -3.26 -0.78 0.00 -0.64 -4.57 117.12 109.32 2wda n MET 68 Ca 0.05 0.80 -0.16 0.00 0.00 0.00 0.00 57.70 58.38 2wda n MET 68 Cb 0.31 -2.48 -0.06 0.00 0.00 0.00 0.00 33.22 30.98 2wda n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2wda s ALA 69 N -0.19 -0.39 0.23 -5.12 0.00 0.03 -5.02 121.76 111.29 2wda s ALA 69 Ca 0.65 -1.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 2wda s ALA 69 Cb -0.59 -2.10 -0.12 0.00 0.00 0.00 0.00 23.12 20.31 2wda s ALA 69 CO 0.51 -2.13 1.67 -2.14 0.00 0.00 0.00 175.76 173.67 2wda s PRO 70 N 1.05 4.13 0.16 0.00 0.02 -1.26 -4.41 135.00 134.69 2wda s PRO 70 Ca 0.23 2.58 -0.05 0.00 0.02 0.00 0.00 61.00 63.78 2wda s PRO 70 Cb -0.08 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 2wda s PRO 70 CO -0.07 -0.71 0.19 0.95 -0.33 0.00 0.00 177.00 177.04 2wda s THR 71 N 0.82 0.06 -0.20 0.99 -4.23 -0.83 -5.01 115.64 107.24 2wda s THR 71 Ca 0.71 -1.70 0.21 0.00 -1.18 0.00 0.00 61.69 59.73 2wda s THR 71 Cb -0.49 -2.06 0.21 0.00 1.34 0.00 0.00 72.50 71.50 2wda s THR 71 CO 0.37 -0.28 1.63 -2.65 -0.54 0.00 0.00 174.62 173.14 2wda n PRO 72 N -0.19 0.13 -0.05 3.99 -0.02 -1.26 -3.01 135.00 134.59 2wda n PRO 72 Ca -0.04 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2wda n PRO 72 Cb 0.64 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.18 2wda n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wda n THR 73 N -2.23 0.71 -3.57 3.45 -2.24 -1.26 -4.92 114.28 104.22 2wda n THR 73 Ca -0.01 -0.76 -0.06 0.00 -2.27 0.00 0.00 64.05 60.95 2wda n THR 73 Cb 0.05 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 2wda n THR 73 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wda s SER 74 N -0.93 -0.24 -0.00 3.42 1.04 -1.16 -1.29 113.70 114.53 2wda s SER 74 Ca 0.04 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.44 2wda s SER 74 Cb 0.04 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2wda s SER 74 CO 0.00 -0.48 0.03 -0.11 0.98 0.00 0.00 173.24 173.67 2wda n LEU 75 N -0.23 0.00 -4.03 2.42 7.94 -1.26 -1.96 117.00 119.87 2wda n LEU 75 Ca -0.05 -0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.67 2wda n LEU 75 Cb 0.60 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.41 2wda n LEU 75 CO 0.10 0.00 -0.43 0.26 -1.11 0.00 0.00 177.39 176.21 2wda s TRP 76 N -2.08 0.80 0.57 1.96 0.51 -1.26 -0.79 118.94 118.64 2wda s TRP 76 Ca -0.00 -0.21 -0.20 0.00 -2.12 0.00 0.00 56.10 53.57 2wda s TRP 76 Cb 0.01 -0.50 -0.04 0.00 -0.81 0.00 0.00 33.47 32.13 2wda s TRP 76 CO 0.06 -0.01 1.29 -1.25 -0.51 0.00 0.00 176.95 176.52 2wda s PRO 77 N -0.46 3.03 0.00 4.98 0.04 -1.26 -1.84 135.00 139.48 2wda s PRO 77 Ca 0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2wda s PRO 77 Cb -0.05 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2wda s PRO 77 CO -0.00 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2wda n GLY 78 N 0.69 1.41 2.51 0.56 0.00 -1.26 -4.94 105.19 104.16 2wda n GLY 78 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2wda n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wda n HIS 79 N -2.00 3.07 -1.30 1.61 8.25 -0.77 -5.10 115.22 118.98 2wda n HIS 79 Ca 0.00 -4.03 -0.33 0.00 -0.26 0.00 0.00 57.72 53.10 2wda n HIS 79 Cb 0.00 -0.51 0.10 0.00 1.12 0.00 0.00 29.99 30.71 2wda n HIS 79 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wda s PRO 80 N -2.57 1.97 0.00 -0.41 0.04 -1.26 -4.24 135.00 128.53 2wda s PRO 80 Ca 0.42 1.66 0.30 0.00 0.04 0.00 0.00 61.00 63.42 2wda s PRO 80 Cb 0.20 -1.82 1.50 0.00 0.04 0.00 0.00 34.50 34.41 2wda s PRO 80 CO -0.06 -1.94 2.03 1.19 0.04 0.00 0.00 177.00 178.26 2wda n PHE 81 N -3.04 0.00 -3.74 0.56 3.72 -0.41 -3.49 117.46 111.05 2wda n PHE 81 Ca 0.13 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.27 2wda n PHE 81 Cb 0.51 -0.24 -0.17 0.00 -0.94 0.00 0.00 39.48 38.64 2wda n PHE 81 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2wda s ASP 82 N -2.51 2.47 0.71 4.37 3.68 -1.26 -3.14 116.67 120.99 2wda s ASP 82 Ca 0.30 -0.58 -0.15 0.00 2.13 0.00 0.00 52.55 54.25 2wda s ASP 82 Cb 0.20 -0.53 0.03 0.00 -1.45 0.00 0.00 42.92 41.17 2wda s ASP 82 CO 0.46 -0.27 1.19 -2.16 0.13 0.00 0.00 175.17 174.51 2wda s PRO 83 N 1.91 2.29 0.02 4.34 0.04 -1.26 -5.02 135.00 137.32 2wda s PRO 83 Ca 0.01 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2wda s PRO 83 Cb -0.15 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.74 2wda s PRO 83 CO -0.07 -1.70 1.15 -0.35 0.04 0.00 0.00 177.00 176.06 2wda n PRO 84 N -2.63 0.01 0.31 0.56 -0.04 -1.19 -1.24 135.00 130.79 2wda n PRO 84 Ca 0.13 0.45 0.19 0.00 -0.04 0.00 0.00 63.50 64.24 2wda n PRO 84 Cb 0.51 -1.53 1.02 0.00 -0.04 0.00 0.00 33.50 33.45 2wda n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wda h ALA 85 N 2.11 1.28 0.00 0.55 0.00 -1.86 -1.60 119.26 119.73 2wda h ALA 85 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2wda h ALA 85 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wda h ALA 85 CO 0.00 -0.15 -0.41 0.78 0.00 0.00 0.00 179.25 179.47 2wda h GLY 86 N 0.00 0.00 0.60 0.00 0.00 -1.21 0.35 103.07 102.82 2wda h GLY 86 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2wda h GLY 86 CO -0.00 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 2wda h ILE 87 N 0.00 1.26 -0.67 2.60 2.04 -1.50 -2.54 117.51 118.71 2wda h ILE 87 Ca -0.00 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 2wda h ILE 87 Cb 0.97 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 2wda h ILE 87 CO 0.05 0.23 0.18 0.74 0.00 0.00 0.00 178.15 179.35 2wda h THR 88 N -0.44 1.25 -0.50 -0.27 2.02 -1.52 -0.37 112.91 113.09 2wda h THR 88 Ca -0.00 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.35 2wda h THR 88 Cb 0.41 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 2wda h THR 88 CO 0.01 0.35 0.14 0.15 0.37 0.00 0.00 175.52 176.53 2wda h PHE 89 N 1.00 0.23 -0.42 3.16 3.57 -1.00 0.48 116.94 123.96 2wda h PHE 89 Ca 0.21 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 2wda h PHE 89 Cb 0.33 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2wda h PHE 89 CO 0.02 0.04 0.08 0.00 -2.23 0.00 0.00 178.31 176.23 2wda h ALA 90 N 1.36 0.56 -0.77 2.41 0.00 -0.91 -1.94 119.26 119.97 2wda h ALA 90 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wda h ALA 90 Cb 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2wda h ALA 90 CO -0.29 0.26 0.45 1.88 0.00 0.00 0.00 179.25 181.55 2wda h TYR 91 N 0.55 1.01 -0.46 0.00 0.05 -0.35 -1.74 116.97 116.02 2wda h TYR 91 Ca 0.13 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.94 2wda h TYR 91 Cb 0.35 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2wda h TYR 91 CO 0.02 0.68 0.25 0.78 -1.05 0.00 0.00 178.16 178.84 2wda h GLY 92 N 1.08 0.64 1.36 3.88 0.00 0.44 0.27 103.07 110.74 2wda h GLY 92 Ca 0.27 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2wda h GLY 92 CO -0.05 0.14 -0.06 3.21 0.00 0.00 0.00 176.54 179.77 2wda h ARG 93 N 0.50 0.77 -0.51 4.80 3.08 -1.09 -1.74 114.38 120.20 2wda h ARG 93 Ca 0.19 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2wda h ARG 93 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2wda h ARG 93 CO -0.12 0.82 0.13 -0.07 -1.07 0.00 0.00 179.97 179.66 2wda h LEU 94 N 0.71 0.71 -0.28 3.04 3.38 -0.83 0.49 115.31 122.53 2wda h LEU 94 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wda h LEU 94 Cb 0.52 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wda h LEU 94 CO 0.03 0.70 0.12 -0.25 0.09 0.00 0.00 178.44 179.13 2wda h TRP 95 N 0.75 0.42 -0.74 1.13 2.91 -0.14 0.39 115.95 120.67 2wda h TRP 95 Ca 0.17 -0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.23 2wda h TRP 95 Cb 0.27 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.73 2wda h TRP 95 CO 0.01 0.41 0.42 1.15 -1.03 0.00 0.00 178.44 179.41 2wda h THR 96 N 0.31 0.96 -0.52 2.65 2.02 -0.80 0.67 112.91 118.20 2wda h THR 96 Ca 0.10 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2wda h THR 96 Cb 0.16 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 2wda h THR 96 CO -0.01 0.14 0.27 0.24 0.37 0.00 0.00 175.52 176.53 2wda h MET 97 N 0.76 0.51 -0.20 6.66 2.86 -0.65 -0.45 114.93 124.43 2wda h MET 97 Ca 0.34 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2wda h MET 97 Cb 0.23 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2wda h MET 97 CO -0.20 0.34 0.12 1.15 1.06 0.00 0.00 176.91 179.38 2wda h THR 98 N 0.53 1.03 -0.63 2.22 2.02 0.72 -0.06 112.91 118.73 2wda h THR 98 Ca 0.23 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.43 2wda h THR 98 Cb 0.12 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.21 2wda h THR 98 CO -0.15 0.04 0.21 -0.33 0.37 0.00 0.00 175.52 175.67 2wda h GLU 99 N 0.24 0.36 -0.99 6.66 5.08 -0.59 0.16 114.58 125.50 2wda h GLU 99 Ca 0.08 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wda h GLU 99 Cb -0.01 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 2wda h GLU 99 CO -0.03 0.24 0.65 0.00 -1.00 0.00 0.00 179.01 178.87 2wda h ALA 100 N 1.46 1.29 -0.19 3.43 0.00 -0.43 0.07 119.26 124.89 2wda h ALA 100 Ca 0.33 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2wda h ALA 100 Cb 0.45 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wda h ALA 100 CO -0.35 0.59 -0.18 -0.92 0.00 0.00 0.00 179.25 178.39 2wda h TYR 101 N 1.30 0.54 0.00 0.00 3.20 0.46 -3.12 116.97 119.35 2wda h TYR 101 Ca 0.38 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2wda h TYR 101 Cb -0.07 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.09 2wda h TYR 101 CO -0.00 0.81 -1.08 1.33 -1.64 0.00 0.00 178.16 177.58 2wda n VAL 102 N -4.48 0.23 -3.60 1.81 0.24 0.42 -0.71 118.33 112.25 2wda n VAL 102 Ca -0.05 -0.31 -0.37 0.00 -2.04 0.00 0.00 64.34 61.56 2wda n VAL 102 Cb 0.39 0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.79 2wda n VAL 102 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2wda s GLN 103 N -3.25 3.87 0.78 7.34 -1.52 -0.00 -4.94 119.66 121.93 2wda s GLN 103 Ca 0.02 0.22 -0.15 0.00 -1.95 0.00 0.00 55.36 53.50 2wda s GLN 103 Cb 0.14 -3.26 0.01 0.00 -0.22 0.00 0.00 33.01 29.68 2wda s GLN 103 CO 0.80 0.62 0.78 0.39 -0.25 0.00 0.00 175.29 177.63 2wda n GLU 104 N 2.23 0.24 -0.76 2.91 -0.58 -1.26 -3.94 120.64 119.47 2wda n GLU 104 Ca -0.15 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2wda n GLU 104 Cb 0.53 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 2wda n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wda n GLY 105 N 1.23 0.81 0.05 0.62 0.00 -1.26 -4.90 105.19 101.73 2wda n GLY 105 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2wda n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wda n THR 106 N -2.21 0.27 -0.65 2.61 -2.24 -1.25 -3.46 114.28 107.35 2wda n THR 106 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2wda n THR 106 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2wda n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wda n GLY 107 N 1.33 0.76 0.00 3.38 0.00 -1.26 -3.96 105.19 105.43 2wda n GLY 107 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wda n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda n ALA 108 N -0.04 0.92 -1.68 4.61 0.00 -1.26 -5.06 120.51 117.99 2wda n ALA 108 Ca 0.00 -0.30 -0.49 0.00 0.00 0.00 0.00 53.44 52.65 2wda n ALA 108 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2wda n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wda n THR 109 N 0.00 0.47 -1.87 0.00 -1.04 -1.18 -2.20 114.28 108.47 2wda n THR 109 Ca 0.00 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.05 61.79 2wda n THR 109 Cb 0.48 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 2wda n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wda n GLY 110 N 4.23 0.52 3.64 3.41 0.00 0.12 -4.97 105.19 112.13 2wda n GLY 110 Ca 0.22 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2wda n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wda s ASP 111 N -2.60 6.90 0.48 1.61 -1.08 -0.93 -4.94 116.67 116.11 2wda s ASP 111 Ca 0.00 1.05 0.20 0.00 -0.52 0.00 0.00 52.55 53.27 2wda s ASP 111 Cb 0.00 -2.50 1.18 0.00 -1.46 0.00 0.00 42.92 40.14 2wda s ASP 111 CO 0.00 -0.73 2.02 -0.65 0.52 0.00 0.00 175.17 176.33 2wda h PRO 112 N 7.89 0.00 -0.12 4.34 0.11 -1.93 -1.86 132.00 140.42 2wda h PRO 112 Ca -0.21 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.73 2wda h PRO 112 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2wda h PRO 112 CO 0.97 0.17 -0.62 0.00 -0.21 0.00 0.00 178.00 178.31 2wda h ALA 113 N 1.83 0.71 -0.04 -0.75 0.00 -1.99 -0.89 119.26 118.13 2wda h ALA 113 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wda h ALA 113 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wda h ALA 113 CO 0.02 0.72 0.01 1.25 0.00 0.00 0.00 179.25 181.25 2wda h LEU 114 N 0.31 0.07 -0.65 0.00 5.85 -1.81 -2.62 115.31 116.46 2wda h LEU 114 Ca -0.01 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.59 2wda h LEU 114 Cb 1.16 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.07 2wda h LEU 114 CO 0.11 0.30 0.13 0.25 -0.34 0.00 0.00 178.44 178.89 2wda h LEU 115 N -0.17 -0.02 -0.75 2.25 5.85 -1.25 -1.05 115.31 120.17 2wda h LEU 115 Ca 0.01 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2wda h LEU 115 Cb 0.26 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2wda h LEU 115 CO 0.00 -0.02 0.49 0.00 -0.34 0.00 0.00 178.44 178.57 2wda h ALA 116 N 1.54 0.95 -0.18 1.25 0.00 -1.14 -1.83 119.26 119.85 2wda h ALA 116 Ca 0.35 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 2wda h ALA 116 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2wda h ALA 116 CO -0.45 0.38 -0.44 -0.44 0.00 0.00 0.00 179.25 178.29 2wda h ASP 117 N 1.02 0.46 -0.04 0.00 3.32 -0.92 0.19 116.42 120.44 2wda h ASP 117 Ca 0.27 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2wda h ASP 117 Cb -0.10 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2wda h ASP 117 CO -0.06 0.85 0.01 0.40 -1.72 0.00 0.00 179.24 178.72 2wda h ILE 118 N 0.35 0.98 -0.71 0.35 2.04 -1.01 -0.55 117.51 118.97 2wda h ILE 118 Ca 0.03 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 2wda h ILE 118 Cb 0.92 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2wda h ILE 118 CO 0.08 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.47 2wda h LEU 119 N 0.03 0.97 -0.52 1.44 4.07 -1.12 0.12 115.31 120.30 2wda h LEU 119 Ca 0.02 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 57.87 2wda h LEU 119 Cb 0.02 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.46 2wda h LEU 119 CO -0.03 0.86 0.26 -0.09 -1.08 0.00 0.00 178.44 178.36 2wda h ARG 120 N 1.01 0.48 -0.42 1.13 2.43 -0.43 0.12 114.38 118.70 2wda h ARG 120 Ca 0.24 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2wda h ARG 120 Cb 0.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2wda h ARG 120 CO -0.02 0.32 -0.18 0.78 -1.51 0.00 0.00 179.97 179.36 2wda h GLY 121 N 0.50 0.94 0.98 2.80 0.00 0.51 0.18 103.07 108.99 2wda h GLY 121 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2wda h GLY 121 CO -0.17 0.75 0.11 1.41 0.00 0.00 0.00 176.54 178.64 2wda h LEU 122 N 0.69 0.21 -0.83 3.11 3.38 -0.54 0.10 115.31 121.43 2wda h LEU 122 Ca 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2wda h LEU 122 Cb 0.74 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2wda h LEU 122 CO 0.06 0.18 0.29 0.44 0.09 0.00 0.00 178.44 179.49 2wda h ASP 123 N 0.22 1.06 -0.64 -0.43 3.32 -0.58 0.19 116.42 119.57 2wda h ASP 123 Ca 0.06 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2wda h ASP 123 Cb 0.00 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2wda h ASP 123 CO -0.01 0.95 0.21 -0.74 -1.72 0.00 0.00 179.24 177.93 2wda h HIS 124 N 1.12 1.02 -0.52 4.55 2.76 -0.16 0.14 115.15 124.07 2wda h HIS 124 Ca 0.25 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 2wda h HIS 124 Cb 0.24 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2wda h HIS 124 CO 0.02 0.83 -0.06 -0.07 -1.30 0.00 0.00 177.93 177.35 2wda h LEU 125 N 0.92 0.95 -0.96 0.26 3.38 -0.29 -0.41 115.31 119.17 2wda h LEU 125 Ca 0.21 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2wda h LEU 125 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wda h LEU 125 CO -0.01 1.06 0.34 -1.28 0.09 0.00 0.00 178.44 178.64 2wda h SER 126 N 0.82 0.99 -0.15 -0.43 0.87 -0.18 0.15 113.55 115.62 2wda h SER 126 Ca 0.14 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2wda h SER 126 Cb 0.61 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2wda h SER 126 CO 0.04 0.85 -0.14 0.00 -0.53 0.00 0.00 176.83 177.05 2wda h ALA 127 N 1.30 0.22 0.10 6.23 0.00 -0.41 -3.40 119.26 123.29 2wda h ALA 127 Ca 0.26 -0.32 -0.37 0.00 0.00 0.00 0.00 54.91 54.48 2wda h ALA 127 Cb 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wda h ALA 127 CO -0.03 0.10 -2.07 0.25 0.00 0.00 0.00 179.25 177.50 2wda n THR 128 N -4.56 1.72 0.00 0.00 -2.24 -0.19 -4.91 114.28 104.11 2wda n THR 128 Ca -0.06 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2wda n THR 128 Cb 0.36 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2wda n THR 128 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2wda n VAL 129 N -3.41 0.00 -2.96 2.28 3.14 -0.51 -4.97 118.33 111.90 2wda n VAL 129 Ca -0.33 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.61 2wda n VAL 129 Cb 1.04 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 2wda n VAL 129 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wda n TYR 130 N -2.47 4.94 -3.87 1.45 9.36 0.41 -4.70 117.16 122.29 2wda n TYR 130 Ca 0.00 -3.39 -0.07 0.00 3.32 0.00 0.00 57.90 57.76 2wda n TYR 130 Cb 0.12 -2.15 -0.02 0.00 -0.63 0.00 0.00 39.34 36.66 2wda n TYR 130 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2wda s HIS 131 N 1.32 -0.10 -2.00 2.98 -3.43 -1.26 -4.52 115.29 108.28 2wda s HIS 131 Ca 0.42 -0.37 0.28 0.00 -0.80 0.00 0.00 55.06 54.59 2wda s HIS 131 Cb -0.03 0.66 1.67 0.00 -1.43 0.00 0.00 32.58 33.45 2wda s HIS 131 CO -0.00 -1.24 2.01 -2.30 -2.00 0.00 0.00 174.74 171.21 2wda n PRO 132 N -0.46 0.88 0.00 -0.38 -0.02 -1.26 -2.18 135.00 131.58 2wda n PRO 132 Ca -0.04 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.56 2wda n PRO 132 Cb 0.59 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.86 2wda n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wda n ALA 133 N -1.00 3.42 -2.68 3.55 0.00 -1.26 -4.86 120.51 117.68 2wda n ALA 133 Ca 0.21 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2wda n ALA 133 Cb 0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2wda n ALA 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wda s THR 134 N -2.91 4.78 -0.34 0.00 2.01 -0.92 -5.00 115.64 113.25 2wda s THR 134 Ca 0.14 2.01 -0.21 0.00 0.31 0.00 0.00 61.69 63.94 2wda s THR 134 Cb 0.18 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2wda s THR 134 CO 0.66 0.09 0.67 -0.89 -0.69 0.00 0.00 174.62 174.47 2wda s THR 135 N 1.45 4.86 0.09 -0.82 2.01 -1.26 -4.97 115.64 117.00 2wda s THR 135 Ca 0.51 0.74 -0.36 0.00 0.31 0.00 0.00 61.69 62.90 2wda s THR 135 Cb -0.20 -4.09 -0.18 0.00 0.01 0.00 0.00 72.50 68.04 2wda s THR 135 CO 0.24 -0.29 1.07 -1.14 -0.69 0.00 0.00 174.62 173.81 2wda n ARG 136 N 6.09 0.54 -4.17 4.92 0.63 -1.26 -5.03 116.66 118.37 2wda n ARG 136 Ca -0.00 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 56.99 2wda n ARG 136 Cb 0.49 -1.65 -0.10 0.00 0.45 0.00 0.00 32.46 31.64 2wda n ARG 136 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 2wda s TYR 137 N -0.09 1.00 0.00 -0.14 -0.85 -1.26 -5.10 117.35 110.91 2wda s TYR 137 Ca 0.81 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 2wda s TYR 137 Cb -1.05 -0.55 0.00 0.00 0.38 0.00 0.00 41.96 40.74 2wda s TYR 137 CO 0.54 -0.04 0.00 0.41 -1.52 0.00 0.00 175.55 174.93 2wda n GLY 138 N 0.35 -0.48 3.64 5.49 0.00 -1.26 -4.63 105.19 108.30 2wda n GLY 138 Ca -0.15 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2wda n GLY 138 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wda s ASN 139 N -4.00 6.14 0.44 1.61 2.47 -1.26 -4.84 114.94 115.50 2wda s ASN 139 Ca 0.00 2.42 0.14 0.00 0.42 0.00 0.00 52.86 55.84 2wda s ASN 139 Cb 0.00 -2.52 1.05 0.00 -1.45 0.00 0.00 41.25 38.32 2wda s ASN 139 CO 0.00 -1.34 1.99 4.11 -3.72 0.00 0.00 177.10 178.14 2wda h TRP 140 N 11.97 0.41 -0.59 0.43 5.08 -2.00 -2.11 115.95 129.14 2wda h TRP 140 Ca -0.47 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 2wda h TRP 140 Cb 1.24 -0.13 -0.03 0.00 -3.00 0.00 0.00 29.16 27.24 2wda h TRP 140 CO 0.95 0.20 0.27 2.35 -1.28 0.00 0.00 178.44 180.93 2wda h TRP 141 N 0.39 0.83 -0.35 0.12 7.01 -1.97 -0.63 115.95 121.35 2wda h TRP 141 Ca 0.27 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2wda h TRP 141 Cb 0.54 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 2wda h TRP 141 CO -0.00 0.62 0.17 0.93 -2.79 0.00 0.00 178.44 177.37 2wda h GLU 142 N 0.84 0.48 0.10 2.65 4.39 -1.74 -0.07 114.58 121.23 2wda h GLU 142 Ca 0.21 -0.05 -0.35 0.00 0.34 0.00 0.00 59.36 59.51 2wda h GLU 142 Cb 0.10 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2wda h GLU 142 CO -0.03 0.37 -1.89 -1.49 -1.16 0.00 0.00 179.01 174.81 2wda h TRP 143 N 0.48 0.40 0.00 4.33 4.06 -1.47 0.45 115.95 124.20 2wda h TRP 143 Ca 0.12 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 60.78 2wda h TRP 143 Cb 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2wda h TRP 143 CO 0.00 1.59 -0.92 1.04 -3.56 0.00 0.00 178.44 176.59 2wda n GLN 144 N -3.40 0.05 0.09 0.49 6.02 -0.32 -4.27 117.38 116.04 2wda n GLN 144 Ca -0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 2wda n GLN 144 Cb 1.05 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.80 2wda n GLN 144 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2wda n ILE 145 N -1.56 0.05 0.43 5.09 5.41 -0.22 -4.69 119.36 123.87 2wda n ILE 145 Ca 0.04 0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.64 2wda n ILE 145 Cb 0.35 -0.57 -0.08 0.00 -0.71 0.00 0.00 39.64 38.62 2wda n ILE 145 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2wda h GLY 146 N 0.00 -1.15 0.82 7.39 0.00 -1.11 -3.04 103.07 105.98 2wda h GLY 146 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 2wda h GLY 146 CO 0.00 -0.42 0.03 1.76 0.00 0.00 0.00 176.54 177.91 2wda h SER 147 N -1.09 0.16 0.04 0.19 0.02 -1.15 -3.23 113.55 108.48 2wda h SER 147 Ca -0.11 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2wda h SER 147 Cb 0.84 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2wda h SER 147 CO 0.18 0.33 -0.17 1.55 -1.14 0.00 0.00 176.83 177.58 2wda h PRO 148 N -0.03 0.26 -0.15 3.45 0.13 -1.74 0.16 132.00 134.08 2wda h PRO 148 Ca 0.03 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 2wda h PRO 148 Cb 0.23 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 2wda h PRO 148 CO -0.00 0.43 -0.41 0.00 -0.23 0.00 0.00 178.00 177.79 2wda h ARG 149 N 0.25 0.35 -0.05 0.86 3.08 -1.61 -0.66 114.38 116.59 2wda h ARG 149 Ca 0.05 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 2wda h ARG 149 Cb 0.44 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 2wda h ARG 149 CO 0.03 0.71 -0.49 -0.07 -1.07 0.00 0.00 179.97 179.07 2wda h LEU 150 N 0.29 0.52 -0.09 3.04 3.38 -1.28 -1.11 115.31 120.05 2wda h LEU 150 Ca 0.03 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.33 2wda h LEU 150 Cb 0.85 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2wda h LEU 150 CO 0.07 1.14 -0.10 0.25 0.09 0.00 0.00 178.44 179.88 2wda h LEU 151 N -0.06 -0.32 -0.83 1.67 5.85 -0.61 0.22 115.31 121.23 2wda h LEU 151 Ca -0.05 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2wda h LEU 151 Cb 1.17 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 2wda h LEU 151 CO 0.10 -0.14 0.48 0.24 -0.34 0.00 0.00 178.44 178.78 2wda h MET 152 N -0.13 0.81 -0.43 1.25 2.86 -1.15 0.11 114.93 118.25 2wda h MET 152 Ca 0.07 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2wda h MET 152 Cb 0.24 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2wda h MET 152 CO -0.18 0.54 -0.02 -0.44 1.06 0.00 0.00 176.91 177.87 2wda h ASP 153 N 0.83 0.77 -0.53 1.22 3.32 -0.08 0.13 116.42 122.08 2wda h ASP 153 Ca 0.39 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2wda h ASP 153 Cb 0.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2wda h ASP 153 CO -0.23 0.90 0.19 0.40 -1.72 0.00 0.00 179.24 178.79 2wda h ILE 154 N 0.62 1.23 -0.44 0.35 2.04 -0.25 -0.66 117.51 120.40 2wda h ILE 154 Ca 0.12 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 2wda h ILE 154 Cb 0.52 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2wda h ILE 154 CO 0.03 0.27 0.02 0.74 0.00 0.00 0.00 178.15 179.21 2wda h THR 155 N 0.73 1.23 -0.14 -0.27 2.02 -0.48 -1.68 112.91 114.32 2wda h THR 155 Ca 0.18 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 2wda h THR 155 Cb 0.23 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2wda h THR 155 CO -0.01 0.32 -0.20 0.00 0.37 0.00 0.00 175.52 176.00 2wda h ALA 156 N 1.36 0.21 -0.34 6.16 0.00 -0.42 -1.36 119.26 124.87 2wda h ALA 156 Ca 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2wda h ALA 156 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wda h ALA 156 CO 0.01 0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.45 2wda h ALA 157 N 0.57 1.44 -0.41 0.00 0.00 -0.76 -3.14 119.26 116.97 2wda h ALA 157 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wda h ALA 157 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wda h ALA 157 CO 0.05 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2wda n LEU 158 N -4.32 3.09 -0.26 0.00 4.77 -0.67 -4.81 117.00 114.82 2wda n LEU 158 Ca 0.02 -1.92 -0.00 0.00 -0.03 0.00 0.00 56.01 54.07 2wda n LEU 158 Cb 0.21 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2wda n LEU 158 CO 0.38 0.76 0.41 0.00 -1.33 0.00 0.00 177.39 177.61 2wda n TYR 159 N 0.78 0.05 0.10 -1.77 9.36 -0.51 -0.64 117.16 124.53 2wda n TYR 159 Ca 0.14 0.84 -0.02 0.00 3.32 0.00 0.00 57.90 62.18 2wda n TYR 159 Cb 0.46 -0.77 0.21 0.00 -0.63 0.00 0.00 39.34 38.61 2wda n TYR 159 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2wda h ASP 160 N 0.00 0.21 0.71 2.98 3.32 -1.87 -2.49 116.42 119.29 2wda h ASP 160 Ca 0.25 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2wda h ASP 160 Cb 0.42 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2wda h ASP 160 CO -0.68 0.64 -0.09 1.41 -1.72 0.00 0.00 179.24 178.81 2wda n HIS 161 N -3.99 0.00 -0.00 4.55 8.25 0.18 -4.17 115.22 120.05 2wda n HIS 161 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2wda n HIS 161 Cb 0.51 -0.36 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 2wda n HIS 161 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wda h LEU 162 N 0.10 0.01 -0.17 2.41 3.38 -0.94 -3.51 115.31 116.59 2wda h LEU 162 Ca 0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2wda h LEU 162 Cb 0.42 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2wda h LEU 162 CO 0.00 1.01 -0.33 0.61 0.09 0.00 0.00 178.44 179.83 2wda n GLY 163 N 1.51 -2.89 0.34 0.83 0.00 -1.26 -4.31 105.19 99.42 2wda n GLY 163 Ca -0.13 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.61 2wda n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda h ALA 164 N -0.30 1.61 -0.53 4.61 0.00 -1.96 -2.66 119.26 120.03 2wda h ALA 164 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2wda h ALA 164 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2wda h ALA 164 CO 0.02 0.32 0.05 -0.44 0.00 0.00 0.00 179.25 179.20 2wda h ASP 165 N 0.81 0.83 -0.20 0.00 3.32 -1.99 -0.43 116.42 118.78 2wda h ASP 165 Ca 0.26 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 2wda h ASP 165 Cb 0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2wda h ASP 165 CO -0.07 0.86 -0.37 0.03 -1.72 0.00 0.00 179.24 177.97 2wda h ARG 166 N 0.82 0.60 -0.41 3.56 3.08 -1.67 -0.21 114.38 120.14 2wda h ARG 166 Ca 0.16 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2wda h ARG 166 Cb 0.42 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2wda h ARG 166 CO 0.01 1.00 0.21 0.28 -1.07 0.00 0.00 179.97 180.40 2wda h VAL 167 N 0.27 1.16 -0.70 2.04 2.07 -1.45 0.28 116.25 119.92 2wda h VAL 167 Ca 0.01 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2wda h VAL 167 Cb 0.97 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2wda h VAL 167 CO 0.08 0.17 0.19 0.00 0.02 0.00 0.00 177.57 178.03 2wda h ALA 168 N 1.06 1.00 -0.10 1.67 0.00 -1.01 -1.84 119.26 120.04 2wda h ALA 168 Ca 0.14 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2wda h ALA 168 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wda h ALA 168 CO -0.02 0.66 -0.64 0.00 0.00 0.00 0.00 179.25 179.24 2wda h ALA 169 N 1.14 0.72 -0.70 0.00 0.00 -0.31 0.05 119.26 120.16 2wda h ALA 169 Ca 0.22 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2wda h ALA 169 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2wda h ALA 169 CO -0.00 0.73 0.29 0.00 0.00 0.00 0.00 179.25 180.27 2wda h ALA 170 N 1.04 1.18 -0.25 0.00 0.00 -0.76 -0.74 119.26 119.74 2wda h ALA 170 Ca -0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 2wda h ALA 170 Cb 1.18 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wda h ALA 170 CO 0.11 0.60 -0.57 0.00 0.00 0.00 0.00 179.25 179.38 2wda h ALA 172 N 0.75 1.12 -0.44 0.00 0.00 -0.57 -0.59 119.26 119.52 2wda h ALA 172 Ca 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2wda h ALA 172 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2wda h ALA 172 CO 0.12 0.60 0.14 0.00 0.00 0.00 0.00 179.25 180.11 2wda h ALA 173 N 1.25 0.58 -0.16 0.00 0.00 -1.00 0.15 119.26 120.07 2wda h ALA 173 Ca 0.21 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wda h ALA 173 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wda h ALA 173 CO -0.01 0.23 0.07 0.28 0.00 0.00 0.00 179.25 179.82 2wda h VAL 174 N 0.57 0.99 -0.91 0.00 2.07 -1.24 0.19 116.25 117.91 2wda h VAL 174 Ca 0.14 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2wda h VAL 174 Cb 0.26 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 2wda h VAL 174 CO -0.00 0.03 0.59 0.44 0.02 0.00 0.00 177.57 178.64 2wda h ASP 175 N 0.16 0.88 -0.22 0.57 3.32 -0.90 0.82 116.42 121.05 2wda h ASP 175 Ca 0.07 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2wda h ASP 175 Cb 0.02 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2wda h ASP 175 CO -0.05 0.55 -0.21 -0.74 -1.72 0.00 0.00 179.24 177.06 2wda h HIS 176 N 0.99 0.63 0.00 4.55 2.76 -0.20 -3.07 115.15 120.81 2wda h HIS 176 Ca 0.40 -0.19 -0.18 0.00 -2.20 0.00 0.00 60.37 58.21 2wda h HIS 176 Cb 0.27 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 2wda h HIS 176 CO -0.00 0.87 -1.41 0.74 -1.30 0.00 0.00 177.93 176.83 2wda h PHE 177 N 0.21 0.00 -2.56 5.26 0.04 -0.52 -3.39 116.94 115.98 2wda h PHE 177 Ca 0.04 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.20 2wda h PHE 177 Cb 0.76 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.50 2wda h PHE 177 CO 0.08 0.61 -0.74 0.28 -0.60 0.00 0.00 178.31 177.94 2wda n VAL 178 N -2.91 0.85 -1.56 -0.55 0.31 0.28 -4.74 118.33 110.01 2wda n VAL 178 Ca -0.10 -4.51 -0.29 0.00 -0.01 0.00 0.00 64.34 59.43 2wda n VAL 178 Cb 0.85 -2.01 0.12 0.00 -0.91 0.00 0.00 33.84 31.89 2wda n VAL 178 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2wda s PRO 179 N -1.33 1.53 0.31 5.55 0.04 -1.16 -4.46 135.00 135.48 2wda s PRO 179 Ca 0.32 0.41 0.07 0.00 0.04 0.00 0.00 61.00 61.83 2wda s PRO 179 Cb 0.05 -1.87 0.76 0.00 0.04 0.00 0.00 34.50 33.48 2wda s PRO 179 CO -0.13 -1.95 1.77 -0.44 0.04 0.00 0.00 177.00 176.29 2wda h ASP 180 N -1.32 0.77 0.16 6.66 3.32 -1.96 -0.05 116.42 123.99 2wda h ASP 180 Ca -0.49 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 2wda h ASP 180 Cb 1.31 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 2wda h ASP 180 CO 0.61 0.26 -0.01 0.00 -1.72 0.00 0.00 179.24 178.38 2wda h ALA 181 N 1.65 1.11 0.00 3.45 0.00 -1.99 0.37 119.26 123.86 2wda h ALA 181 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2wda h ALA 181 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2wda h ALA 181 CO -0.39 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.55 2wda n MET 182 N -3.26 0.12 -0.40 0.00 2.81 -0.03 -2.11 117.12 114.26 2wda n MET 182 Ca -0.02 0.37 0.06 0.00 -1.81 0.00 0.00 57.70 56.30 2wda n MET 182 Cb 0.12 -1.73 0.19 0.00 -0.71 0.00 0.00 33.22 31.09 2wda n MET 182 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wda n LEU 183 N -1.96 3.12 0.00 4.03 4.77 0.13 -4.86 117.00 122.23 2wda n LEU 183 Ca 0.02 -3.35 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 2wda n LEU 183 Cb 0.20 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2wda n LEU 183 CO 0.17 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 2wda n GLY 184 N -1.10 1.00 3.63 -0.72 0.00 -0.89 -4.83 105.19 102.27 2wda n GLY 184 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.75 2wda n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda n ALA 185 N -3.00 0.22 -2.58 4.61 0.00 -1.26 -4.85 120.51 113.65 2wda n ALA 185 Ca 0.00 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.47 2wda n ALA 185 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2wda n ALA 185 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wda n TYR 186 N 2.36 4.61 -3.83 0.00 9.36 -1.26 -4.83 117.16 123.57 2wda n TYR 186 Ca 0.15 -2.93 -0.07 0.00 3.32 0.00 0.00 57.90 58.37 2wda n TYR 186 Cb 0.26 -2.55 -0.02 0.00 -0.63 0.00 0.00 39.34 36.40 2wda n TYR 186 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2wda s THR 187 N 3.69 0.00 0.00 2.97 -1.32 -1.21 -4.90 115.64 114.87 2wda s THR 187 Ca 0.52 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2wda s THR 187 Cb 0.04 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 2wda s THR 187 CO 0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 2wda n GLY 188 N -0.46 3.72 0.21 6.08 0.00 -1.26 -0.03 105.19 113.44 2wda n GLY 188 Ca -0.05 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2wda n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wda n THR 189 N 0.00 0.15 -2.81 2.61 -2.24 -1.26 -4.15 114.28 106.58 2wda n THR 189 Ca 0.00 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 2wda n THR 189 Cb 0.00 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 2wda n THR 189 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2wda n SER 190 N -0.17 3.48 -4.25 3.42 2.88 0.95 -4.42 113.62 115.50 2wda n SER 190 Ca 0.04 -3.44 -0.14 0.00 -1.33 0.00 0.00 58.87 54.00 2wda n SER 190 Cb 0.09 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.92 2wda n SER 190 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2wda s THR 191 N -4.23 1.05 0.00 2.46 -4.23 -1.26 -3.34 115.64 106.09 2wda s THR 191 Ca 0.44 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2wda s THR 191 Cb 0.35 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2wda s THR 191 CO -0.12 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 2wda n GLY 192 N -0.21 2.68 0.38 3.99 0.00 -1.26 -0.62 105.19 110.16 2wda n GLY 192 Ca -0.10 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 45.83 2wda n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda h ALA 193 N -0.68 2.14 -0.14 4.61 0.00 -1.95 -2.01 119.26 121.24 2wda h ALA 193 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2wda h ALA 193 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wda h ALA 193 CO 0.00 -0.35 -0.13 -0.91 0.00 0.00 0.00 179.25 177.85 2wda h ASN 194 N 0.40 0.37 -0.68 0.00 2.35 -1.17 -1.23 115.58 115.60 2wda h ASN 194 Ca 0.38 -0.47 0.15 0.00 -0.55 0.00 0.00 56.30 55.80 2wda h ASN 194 Cb 0.89 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 39.04 2wda h ASN 194 CO -0.12 0.76 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.32 2wda h ARG 195 N -0.03 0.09 -0.51 0.81 9.65 -0.83 -0.23 114.38 123.34 2wda h ARG 195 Ca 0.02 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 2wda h ARG 195 Cb 0.66 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2wda h ARG 195 CO 0.03 0.06 -0.03 0.28 2.80 0.00 0.00 179.97 183.11 2wda h VAL 196 N 0.09 1.27 -0.73 0.20 2.07 -1.15 -1.76 116.25 116.24 2wda h VAL 196 Ca 0.36 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2wda h VAL 196 Cb 0.61 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2wda h VAL 196 CO -0.61 0.40 0.25 0.44 0.02 0.00 0.00 177.57 178.07 2wda h ASP 197 N 0.78 1.04 -0.56 0.57 3.32 -0.60 -1.22 116.42 119.75 2wda h ASP 197 Ca 0.14 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2wda h ASP 197 Cb 0.57 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2wda h ASP 197 CO 0.03 0.95 0.27 -0.07 -1.72 0.00 0.00 179.24 178.70 2wda h LEU 198 N 1.08 0.74 -1.50 1.55 3.38 -0.77 -2.60 115.31 117.18 2wda h LEU 198 Ca 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wda h LEU 198 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wda h LEU 198 CO -0.01 0.66 0.01 0.00 0.09 0.00 0.00 178.44 179.19 2wda h ARG 200 N 0.33 0.23 -0.32 0.00 2.43 -0.83 -0.04 114.38 116.17 2wda h ARG 200 Ca 0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2wda h ARG 200 Cb 0.20 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2wda h ARG 200 CO 0.00 0.30 -0.06 0.77 -1.51 0.00 0.00 179.97 179.47 2wda h SER 201 N 0.11 0.61 -0.66 -3.80 0.02 -1.37 -1.23 113.55 107.22 2wda h SER 201 Ca 0.05 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2wda h SER 201 Cb 0.15 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2wda h SER 201 CO -0.01 0.82 0.41 0.58 -1.14 0.00 0.00 176.83 177.50 2wda h VAL 202 N 0.39 1.18 0.12 2.27 2.07 -1.37 0.11 116.25 121.02 2wda h VAL 202 Ca 0.08 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2wda h VAL 202 Cb 0.55 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2wda h VAL 202 CO 0.03 0.19 -0.06 0.00 0.02 0.00 0.00 177.57 177.75 2wda h ALA 203 N 1.22 -0.17 -0.55 1.67 0.00 -0.90 -0.38 119.26 120.15 2wda h ALA 203 Ca 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2wda h ALA 203 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wda h ALA 203 CO -0.05 -0.59 0.00 -0.07 0.00 0.00 0.00 179.25 178.55 2wda h LEU 204 N -0.18 0.91 -1.84 0.00 -0.00 -0.93 -0.50 115.31 112.77 2wda h LEU 204 Ca -0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 2wda h LEU 204 Cb 0.14 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 2wda h LEU 204 CO 0.03 0.96 -0.09 -0.09 -0.00 0.00 0.00 178.44 179.26 2wda h ARG 205 N 0.86 0.00 -0.12 1.13 1.12 -0.47 0.58 114.38 117.48 2wda h ARG 205 Ca 0.16 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.90 2wda h ARG 205 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2wda h ARG 205 CO 0.02 0.09 -0.44 0.78 -3.11 0.00 0.00 179.97 177.31 2wda h GLY 206 N 0.26 0.57 0.99 2.80 0.00 0.07 -0.97 103.07 106.79 2wda h GLY 206 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2wda h GLY 206 CO 0.01 0.68 -0.06 -2.08 0.00 0.00 0.00 176.54 175.09 2wda h VAL 207 N 0.12 0.88 0.04 4.60 2.07 -0.47 0.40 116.25 123.90 2wda h VAL 207 Ca -0.02 -0.02 -0.22 0.00 0.82 0.00 0.00 66.70 67.25 2wda h VAL 207 Cb 1.07 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2wda h VAL 207 CO 0.09 0.01 -1.01 -0.07 0.02 0.00 0.00 177.57 176.61 2wda h LEU 208 N -0.18 0.28 -1.65 2.57 3.38 -0.91 -2.74 115.31 116.07 2wda h LEU 208 Ca -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wda h LEU 208 Cb 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wda h LEU 208 CO 0.03 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2wda n GLY 209 N 1.15 1.08 3.98 0.83 0.00 -0.37 -4.96 105.19 106.90 2wda n GLY 209 Ca -0.05 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 2wda n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wda n ARG 210 N 0.81 -1.24 -3.94 1.61 1.74 -0.87 -4.95 116.66 109.82 2wda n ARG 210 Ca 0.15 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 57.19 2wda n ARG 210 Cb 0.39 -3.54 -0.14 0.00 -1.02 0.00 0.00 32.46 28.15 2wda n ARG 210 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wda s ALA 211 N -3.74 3.40 0.41 7.54 0.00 0.08 -4.98 121.76 124.47 2wda s ALA 211 Ca 0.31 -3.38 0.14 0.00 0.00 0.00 0.00 51.96 49.03 2wda s ALA 211 Cb -0.15 -2.16 1.00 0.00 0.00 0.00 0.00 23.12 21.82 2wda s ALA 211 CO 0.93 -2.03 1.89 -1.00 0.00 0.00 0.00 175.76 175.55 2wda h PRO 212 N 6.29 0.47 -0.17 0.00 0.13 -1.93 -0.79 132.00 136.00 2wda h PRO 212 Ca -0.04 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 2wda h PRO 212 Cb 0.86 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2wda h PRO 212 CO 0.69 0.31 -0.14 0.00 -0.23 0.00 0.00 178.00 178.64 2wda h ALA 213 N 1.63 1.46 -0.33 -0.56 0.00 -1.94 -1.31 119.26 118.20 2wda h ALA 213 Ca 0.41 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2wda h ALA 213 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wda h ALA 213 CO -0.15 0.38 -0.23 0.87 0.00 0.00 0.00 179.25 180.12 2wda h LYS 214 N 0.26 0.74 -0.21 0.00 1.79 -1.49 -0.62 116.57 117.04 2wda h LYS 214 Ca 0.05 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2wda h LYS 214 Cb 0.40 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2wda h LYS 214 CO 0.02 0.97 0.14 0.82 -1.08 0.00 0.00 179.45 180.32 2wda h ILE 215 N 0.51 1.05 -0.70 1.86 2.04 -1.32 -1.11 117.51 119.85 2wda h ILE 215 Ca 0.07 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2wda h ILE 215 Cb 0.78 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2wda h ILE 215 CO 0.06 0.05 0.36 0.00 0.00 0.00 0.00 178.15 178.62 2wda h ALA 216 N 1.08 1.31 -0.42 1.87 0.00 -1.25 -0.64 119.26 121.21 2wda h ALA 216 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2wda h ALA 216 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wda h ALA 216 CO -0.02 0.55 0.16 1.25 0.00 0.00 0.00 179.25 181.19 2wda h LEU 217 N 0.98 0.58 -0.54 0.00 5.85 -0.72 0.11 115.31 121.57 2wda h LEU 217 Ca 0.25 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2wda h LEU 217 Cb 0.07 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2wda h LEU 217 CO -0.04 0.60 0.01 0.00 -0.34 0.00 0.00 178.44 178.67 2wda h ALA 218 N 1.00 0.72 -0.09 1.25 0.00 -0.79 0.13 119.26 121.50 2wda h ALA 218 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wda h ALA 218 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wda h ALA 218 CO -0.01 0.54 0.03 -0.09 0.00 0.00 0.00 179.25 179.72 2wda h ARG 219 N 0.82 0.13 -0.53 0.00 2.43 -0.95 -3.02 114.38 113.28 2wda h ARG 219 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2wda h ARG 219 Cb 0.53 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2wda h ARG 219 CO 0.03 0.29 0.22 -0.44 -1.51 0.00 0.00 179.97 178.56 2wda h ASP 220 N -0.05 0.69 0.78 -3.80 3.32 -0.11 -2.21 116.42 115.04 2wda h ASP 220 Ca 0.03 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2wda h ASP 220 Cb 0.21 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2wda h ASP 220 CO -0.00 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 2wda n ALA 221 N -2.46 1.83 0.18 3.45 0.00 0.40 -1.67 120.51 122.25 2wda n ALA 221 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 2wda n ALA 221 Cb 0.15 -1.35 0.34 0.00 0.00 0.00 0.00 19.45 18.59 2wda n ALA 221 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wda h LEU 222 N 0.00 0.00 -0.65 0.00 3.38 -1.30 -3.37 115.31 113.37 2wda h LEU 222 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2wda h LEU 222 Cb 0.39 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 2wda h LEU 222 CO 0.00 0.40 0.17 0.28 0.09 0.00 0.00 178.44 179.38 2wda h SER 223 N 0.00 0.06 0.27 -0.43 0.02 -1.46 -0.39 113.55 111.62 2wda h SER 223 Ca -0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2wda h SER 223 Cb 0.86 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2wda h SER 223 CO 0.05 0.03 0.00 -0.81 -1.14 0.00 0.00 176.83 174.96 2wda n PRO 224 N -5.10 0.19 0.17 3.45 -0.04 -1.26 -1.96 135.00 130.45 2wda n PRO 224 Ca 0.11 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2wda n PRO 224 Cb 0.35 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 2wda n PRO 224 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wda h VAL 225 N 0.00 0.74 0.01 0.52 2.07 -1.32 -3.39 116.25 114.87 2wda h VAL 225 Ca 0.00 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 2wda h VAL 225 Cb 0.14 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2wda h VAL 225 CO 0.00 0.37 -0.10 -0.26 0.02 0.00 0.00 177.57 177.60 2wda h PHE 226 N 0.00 0.09 -3.87 1.57 0.04 -1.49 -3.44 116.94 109.84 2wda h PHE 226 Ca -0.00 -0.05 -0.56 0.00 2.80 0.00 0.00 57.97 60.15 2wda h PHE 226 Cb 1.10 -0.01 0.15 0.00 2.20 0.00 0.00 35.95 39.40 2wda h PHE 226 CO 0.00 0.91 0.43 -2.30 -0.60 0.00 0.00 178.31 176.75 2wda n PRO 227 N -4.60 1.31 -2.06 1.51 -0.02 -1.26 -4.78 135.00 125.10 2wda n PRO 227 Ca -0.10 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 2wda n PRO 227 Cb 0.46 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 2wda n PRO 227 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2wda s TYR 228 N -1.37 3.00 0.40 6.00 2.02 -1.26 -4.65 117.35 121.49 2wda s TYR 228 Ca 0.75 1.28 0.08 0.00 -0.37 0.00 0.00 57.07 58.81 2wda s TYR 228 Cb -0.42 -3.75 -0.01 0.00 -0.40 0.00 0.00 41.96 37.38 2wda s TYR 228 CO 0.47 -2.20 0.42 0.14 -1.57 0.00 0.00 175.55 172.81 2wda s VAL 229 N -0.79 2.95 -0.10 0.71 -7.23 0.48 -4.93 120.40 111.49 2wda s VAL 229 Ca 0.52 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2wda s VAL 229 Cb -0.41 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 2wda s VAL 229 CO 0.51 -0.03 0.15 0.35 -0.31 0.00 0.00 175.10 175.77 2wda n THR 230 N -1.60 0.00 -3.75 5.32 -2.24 -1.26 -4.37 114.28 106.38 2wda n THR 230 Ca 0.04 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 2wda n THR 230 Cb 0.61 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 2wda n THR 230 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2wda s LYS 231 N -0.96 1.04 2.60 -0.78 0.00 -1.26 -5.09 119.74 115.28 2wda s LYS 231 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.12 2wda s LYS 231 Cb 0.01 0.42 0.00 0.00 0.00 0.00 0.00 37.83 38.26 2wda s LYS 231 CO 0.05 -0.39 0.00 0.41 0.00 0.00 0.00 175.35 175.43 2wda n GLY 232 N -0.18 -0.63 3.78 0.59 0.00 -1.26 -4.87 105.19 102.62 2wda n GLY 232 Ca -0.14 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 2wda n GLY 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wda s ASP 233 N -4.00 6.98 0.00 1.61 1.01 -1.26 -4.65 116.67 116.36 2wda s ASP 233 Ca 0.00 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.29 2wda s ASP 233 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2wda s ASP 233 CO 0.00 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 175.66 2wda n GLY 234 N 0.53 0.64 3.76 0.21 0.00 -0.24 -4.86 105.19 105.23 2wda n GLY 234 Ca 0.03 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 2wda n GLY 234 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wda s LEU 235 N 0.00 4.53 0.24 0.99 1.43 -1.26 -1.81 118.68 122.79 2wda s LEU 235 Ca 0.00 1.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.76 2wda s LEU 235 Cb 0.00 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2wda s LEU 235 CO 0.00 0.11 0.09 -0.31 0.23 0.00 0.00 176.35 176.46 2wda s TYR 236 N -0.59 2.91 0.44 0.29 2.02 -0.58 -0.38 117.35 121.46 2wda s TYR 236 Ca 0.38 -0.15 0.10 0.00 -0.37 0.00 0.00 57.07 57.03 2wda s TYR 236 Cb -0.22 -1.33 0.98 0.00 -0.40 0.00 0.00 41.96 40.99 2wda s TYR 236 CO 0.25 0.56 2.06 0.00 -1.57 0.00 0.00 175.55 176.86 2wda h ALA 237 N 1.89 1.83 0.00 3.71 0.00 -1.90 0.41 119.26 125.21 2wda h ALA 237 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wda h ALA 237 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wda h ALA 237 CO 0.60 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 2wda n ASP 238 N -4.49 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 111.63 2wda n ASP 238 Ca 0.03 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 2wda n ASP 238 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2wda n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wda n GLY 239 N 0.60 0.24 3.73 6.12 0.00 0.13 -4.70 105.19 111.31 2wda n GLY 239 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2wda n GLY 239 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wda s SER 240 N -2.29 4.17 -0.04 1.61 0.01 -1.25 -4.36 113.70 111.56 2wda s SER 240 Ca 0.00 2.14 -0.00 0.00 1.31 0.00 0.00 55.95 59.40 2wda s SER 240 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.69 2wda s SER 240 CO 0.00 -2.27 0.01 0.12 0.41 0.00 0.00 173.24 171.52 2wda s PHE 241 N -2.39 0.29 -0.06 2.43 5.36 -1.26 -1.53 117.98 120.83 2wda s PHE 241 Ca 0.68 0.04 0.06 0.00 -0.96 0.00 0.00 56.93 56.75 2wda s PHE 241 Cb -0.24 -0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 41.97 2wda s PHE 241 CO 0.49 -0.17 -0.25 0.08 -1.46 0.00 0.00 175.22 173.92 2wda s VAL 242 N 1.38 2.06 0.19 3.12 1.01 -0.75 -0.95 120.40 126.46 2wda s VAL 242 Ca -0.05 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.91 2wda s VAL 242 Cb -0.13 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2wda s VAL 242 CO -0.03 0.57 -0.05 -1.58 0.00 0.00 0.00 175.10 174.01 2wda s GLN 243 N -0.19 1.22 -1.53 2.72 2.00 -0.81 -1.08 119.66 121.98 2wda s GLN 243 Ca -0.03 -1.58 -0.03 0.00 -2.00 0.00 0.00 55.36 51.73 2wda s GLN 243 Cb -0.14 -0.64 0.01 0.00 0.80 0.00 0.00 33.01 33.05 2wda s GLN 243 CO 0.03 -0.01 0.30 0.72 -0.50 0.00 0.00 175.29 175.83 2wda n HIS 244 N -0.32 -1.54 0.00 1.67 8.25 -1.26 -2.15 115.22 119.86 2wda n HIS 244 Ca -0.07 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2wda n HIS 244 Cb 0.62 -3.89 0.00 0.00 1.12 0.00 0.00 29.99 27.84 2wda n HIS 244 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2wda n THR 245 N -4.11 0.00 -0.52 1.59 5.66 -1.26 -4.16 114.28 111.48 2wda n THR 245 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2wda n THR 245 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 2wda n THR 245 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2wda n TRP 246 N 0.00 0.00 -4.33 1.09 8.01 -1.25 -4.26 117.44 116.70 2wda n TRP 246 Ca 0.00 -0.02 -0.34 0.00 -1.31 0.00 0.00 57.50 55.83 2wda n TRP 246 Cb 0.00 -0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.18 2wda n TRP 246 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 2wda s VAL 247 N -0.05 4.06 -0.12 -0.99 1.01 -0.91 -0.52 120.40 122.88 2wda s VAL 247 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2wda s VAL 247 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2wda s VAL 247 CO 0.00 0.49 1.59 0.00 0.00 0.00 0.00 175.10 177.18 2wda s ALA 248 N 0.32 3.52 0.00 5.51 0.00 -1.26 -1.92 121.76 127.92 2wda s ALA 248 Ca -0.03 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.70 2wda s ALA 248 Cb -0.14 -3.76 0.08 0.00 0.00 0.00 0.00 23.12 19.30 2wda s ALA 248 CO 0.02 -1.54 0.93 0.66 0.00 0.00 0.00 175.76 175.84 2wda n TYR 249 N 7.48 0.00 -0.22 0.00 0.53 -0.13 -4.33 117.16 120.49 2wda n TYR 249 Ca 0.17 -0.12 0.18 0.00 -1.02 0.00 0.00 57.90 57.11 2wda n TYR 249 Cb 0.44 0.03 0.50 0.00 -1.03 0.00 0.00 39.34 39.28 2wda n TYR 249 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 2wda h SER 250 N 0.18 0.41 0.78 7.72 0.02 -1.59 -1.88 113.55 119.19 2wda h SER 250 Ca -0.08 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 2wda h SER 250 Cb 1.41 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 2wda h SER 250 CO -0.00 0.18 -0.58 1.23 -1.14 0.00 0.00 176.83 176.51 2wda h GLY 251 N 0.42 0.00 0.00 -3.77 0.00 -1.38 -3.08 103.07 95.26 2wda h GLY 251 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2wda h GLY 251 CO -0.16 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.08 2wda n THR 252 N -3.63 0.00 -0.31 4.70 -2.24 -1.15 -4.35 114.28 107.30 2wda n THR 252 Ca -0.01 0.03 0.20 0.00 -2.27 0.00 0.00 64.05 62.00 2wda n THR 252 Cb 0.63 -0.93 0.47 0.00 -2.10 0.00 0.00 70.33 68.40 2wda n THR 252 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2wda h TYR 253 N 0.00 0.73 -0.42 4.78 0.05 -1.83 -1.11 116.97 119.17 2wda h TYR 253 Ca 0.00 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 2wda h TYR 253 Cb 0.00 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 2wda h TYR 253 CO 0.00 0.11 -0.10 0.78 -1.05 0.00 0.00 178.16 177.90 2wda h GLY 254 N 0.47 0.81 0.94 3.88 0.00 -1.31 -1.14 103.07 106.72 2wda h GLY 254 Ca 0.57 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2wda h GLY 254 CO -0.30 0.55 -0.15 -1.61 0.00 0.00 0.00 176.54 175.03 2wda h GLN 255 N 0.68 0.67 -0.47 4.80 -0.00 -1.18 -1.68 115.11 117.94 2wda h GLN 255 Ca 0.12 -0.29 0.04 0.00 -0.00 0.00 0.00 58.65 58.52 2wda h GLN 255 Cb 0.56 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.98 2wda h GLN 255 CO 0.03 0.88 0.22 0.28 0.00 0.00 0.00 178.83 180.24 2wda h VAL 256 N 0.43 0.93 -0.66 2.39 2.07 -1.08 0.27 116.25 120.61 2wda h VAL 256 Ca 0.07 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2wda h VAL 256 Cb 0.68 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2wda h VAL 256 CO 0.05 0.08 0.18 -0.03 0.02 0.00 0.00 177.57 177.87 2wda h MET 257 N 0.43 1.03 -0.25 1.57 1.85 -1.17 -1.14 114.93 117.26 2wda h MET 257 Ca 0.21 -0.23 -0.13 0.00 -0.61 0.00 0.00 59.70 58.94 2wda h MET 257 Cb 0.14 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2wda h MET 257 CO -0.16 0.91 -0.34 1.25 -0.40 0.00 0.00 176.91 178.17 2wda h LEU 258 N 0.96 0.73 0.06 3.39 5.85 -0.83 -1.33 115.31 124.14 2wda h LEU 258 Ca 0.21 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2wda h LEU 258 Cb 0.33 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2wda h LEU 258 CO -0.00 1.09 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.32 2wda h ASP 259 N 0.39 -0.24 0.13 1.25 3.58 -0.33 -0.92 116.42 120.28 2wda h ASP 259 Ca 0.03 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 2wda h ASP 259 Cb 0.92 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2wda h ASP 259 CO 0.08 -0.14 -0.29 1.23 -2.88 0.00 0.00 179.24 177.24 2wda h GLY 260 N -0.19 0.28 0.62 -0.78 0.00 -1.18 -0.52 103.07 101.30 2wda h GLY 260 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2wda h GLY 260 CO -0.05 0.20 -0.08 1.41 0.00 0.00 0.00 176.54 178.02 2wda h LEU 261 N 0.23 0.20 -0.25 3.11 3.38 -1.05 -0.24 115.31 120.69 2wda h LEU 261 Ca 0.03 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2wda h LEU 261 Cb 0.64 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2wda h LEU 261 CO 0.05 0.66 0.02 1.23 0.09 0.00 0.00 178.44 180.48 2wda h GLY 262 N -0.25 0.26 0.45 0.83 0.00 -1.03 0.13 103.07 103.45 2wda h GLY 262 Ca 0.01 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.44 2wda h GLY 262 CO 0.02 -0.03 0.25 3.21 0.00 0.00 0.00 176.54 179.98 2wda h ARG 263 N 0.10 0.43 0.01 4.80 3.08 -1.02 -1.97 114.38 119.81 2wda h ARG 263 Ca 0.12 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.94 2wda h ARG 263 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2wda h ARG 263 CO -0.18 0.28 -0.89 -0.07 -1.07 0.00 0.00 179.97 178.04 2wda h LEU 264 N 0.44 0.27 -0.34 3.04 3.38 -0.61 -0.47 115.31 121.02 2wda h LEU 264 Ca 0.30 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2wda h LEU 264 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wda h LEU 264 CO -0.28 1.03 0.07 -0.26 0.09 0.00 0.00 178.44 179.08 2wda h PHE 265 N 0.11 0.60 -0.55 1.13 0.04 -0.50 -2.04 116.94 115.72 2wda h PHE 265 Ca -0.05 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 2wda h PHE 265 Cb 1.52 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.49 2wda h PHE 265 CO 0.03 0.62 0.02 1.15 -0.60 0.00 0.00 178.31 179.52 2wda h THR 266 N 0.40 1.26 0.37 -1.55 2.02 -1.28 -1.76 112.91 112.37 2wda h THR 266 Ca 0.11 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 2wda h THR 266 Cb 0.34 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2wda h THR 266 CO 0.00 0.39 -0.32 0.25 0.37 0.00 0.00 175.52 176.22 2wda h LEU 267 N 0.84 -0.84 0.00 2.58 5.85 -0.83 -3.10 115.31 119.81 2wda h LEU 267 Ca 0.16 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2wda h LEU 267 Cb 0.51 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2wda h LEU 267 CO 0.02 -0.46 -0.11 0.18 -0.34 0.00 0.00 178.44 177.73 2wda n LEU 268 N -5.44 0.44 -4.71 2.25 4.77 -0.79 -4.85 117.00 108.67 2wda n LEU 268 Ca -0.10 0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.91 2wda n LEU 268 Cb 0.34 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2wda n LEU 268 CO 0.30 -0.06 1.31 0.00 -1.33 0.00 0.00 177.39 177.60 2wda n ALA 269 N -1.65 2.50 0.00 -1.18 0.00 -0.66 -0.99 120.51 118.53 2wda n ALA 269 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2wda n ALA 269 Cb 0.39 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.36 2wda n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wda n GLY 270 N 3.46 2.16 4.01 0.00 0.00 -1.26 -4.99 105.19 108.58 2wda n GLY 270 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2wda n GLY 270 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wda s SER 271 N -2.82 4.59 0.28 1.61 1.04 -0.16 -4.97 113.70 113.27 2wda s SER 271 Ca 0.00 -0.57 0.21 0.00 0.48 0.00 0.00 55.95 56.07 2wda s SER 271 Cb 0.00 0.15 1.06 0.00 0.10 0.00 0.00 66.02 67.33 2wda s SER 271 CO 0.00 -1.70 1.64 1.21 0.98 0.00 0.00 173.24 175.38 2wda n GLU 272 N -2.63 0.15 -0.30 4.02 0.00 -1.26 -2.51 120.64 118.11 2wda n GLU 272 Ca 0.16 0.56 0.08 0.00 0.00 0.00 0.00 57.16 57.96 2wda n GLU 272 Cb 0.61 -1.91 0.17 0.00 0.00 0.00 0.00 31.44 30.31 2wda n GLU 272 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 2wda n TRP 273 N -2.21 0.04 -1.60 4.31 8.01 -1.26 -5.05 117.44 119.68 2wda n TRP 273 Ca -0.00 -1.21 -0.39 0.00 -1.31 0.00 0.00 57.50 54.59 2wda n TRP 273 Cb 0.09 -0.20 0.03 0.00 -2.01 0.00 0.00 31.31 29.22 2wda n TRP 273 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 2wda n GLU 274 N -1.29 1.10 -2.75 -0.99 2.13 -1.04 -4.84 120.64 112.96 2wda n GLU 274 Ca 0.18 0.41 -0.43 0.00 0.66 0.00 0.00 57.16 57.98 2wda n GLU 274 Cb 0.67 -2.08 -0.03 0.00 0.27 0.00 0.00 31.44 30.27 2wda n GLU 274 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wda s VAL 275 N -1.42 4.59 -0.01 6.31 1.01 -1.26 -4.88 120.40 124.73 2wda s VAL 275 Ca 0.69 1.47 0.07 0.00 0.00 0.00 0.00 61.98 64.22 2wda s VAL 275 Cb -0.48 -4.34 -0.11 0.00 0.00 0.00 0.00 36.38 31.45 2wda s VAL 275 CO 0.52 -0.45 0.15 0.35 0.00 0.00 0.00 175.10 175.68 2wda n THR 276 N 5.83 0.03 -1.57 3.92 -2.24 -1.26 -4.99 114.28 114.00 2wda n THR 276 Ca 0.09 -0.18 -0.63 0.00 -2.27 0.00 0.00 64.05 61.06 2wda n THR 276 Cb 0.48 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 2wda n THR 276 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wda n ASP 277 N -1.79 1.07 0.25 3.42 -0.08 -1.26 -4.80 116.55 113.36 2wda n ASP 277 Ca -0.02 1.04 0.17 0.00 -1.51 0.00 0.00 54.79 54.46 2wda n ASP 277 Cb 0.23 -0.84 0.73 0.00 2.34 0.00 0.00 41.12 43.58 2wda n ASP 277 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wda h PRO 278 N 5.45 0.00 -0.14 -0.67 0.11 -2.02 -1.67 132.00 133.06 2wda h PRO 278 Ca -0.36 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.79 2wda h PRO 278 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2wda h PRO 278 CO 0.95 0.00 0.32 0.78 -0.21 0.00 0.00 178.00 179.83 2wda h GLY 279 N 1.56 0.00 -0.13 -0.55 0.00 -1.97 -2.13 103.07 99.85 2wda h GLY 279 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 2wda h GLY 279 CO 0.00 0.00 0.65 -0.09 0.00 0.00 0.00 176.54 177.10 2wda h ARG 280 N 0.00 0.44 -0.70 4.80 2.43 -1.65 -1.15 114.38 118.55 2wda h ARG 280 Ca 0.07 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 2wda h ARG 280 Cb 0.70 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 2wda h ARG 280 CO -0.00 0.29 0.47 0.37 -1.51 0.00 0.00 179.97 179.58 2wda h GLN 281 N 0.45 0.47 -0.59 0.20 5.75 -1.62 -1.29 115.11 118.48 2wda h GLN 281 Ca 0.61 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 59.11 2wda h GLN 281 Cb 1.42 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 2wda h GLN 281 CO -0.34 0.31 0.39 -0.07 -2.65 0.00 0.00 178.83 176.47 2wda h LEU 282 N 0.48 0.60 -0.38 -2.39 3.38 -1.41 0.67 115.31 116.26 2wda h LEU 282 Ca 0.33 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 2wda h LEU 282 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2wda h LEU 282 CO -0.11 0.42 -0.08 0.58 0.09 0.00 0.00 178.44 179.34 2wda h VAL 283 N 0.70 1.27 -0.55 1.22 2.07 -1.34 -1.19 116.25 118.43 2wda h VAL 283 Ca 0.23 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2wda h VAL 283 Cb 0.07 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2wda h VAL 283 CO -0.06 0.38 0.28 -0.07 0.02 0.00 0.00 177.57 178.12 2wda h LEU 284 N 0.53 0.71 -1.40 2.57 3.38 -1.14 -2.39 115.31 117.57 2wda h LEU 284 Ca 0.10 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2wda h LEU 284 Cb 0.59 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2wda h LEU 284 CO 0.03 0.63 0.47 0.44 0.09 0.00 0.00 178.44 180.11 2wda h ASP 285 N 0.74 0.63 0.60 -0.43 3.32 -0.70 -2.16 116.42 118.42 2wda h ASP 285 Ca 0.19 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2wda h ASP 285 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2wda h ASP 285 CO -0.03 0.40 0.00 0.77 -1.72 0.00 0.00 179.24 178.67 2wda h SER 286 N 0.72 0.00 0.04 6.45 4.64 -0.68 -2.82 113.55 121.91 2wda h SER 286 Ca 0.31 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.64 2wda h SER 286 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2wda h SER 286 CO -0.11 0.00 -0.08 0.58 -0.87 0.00 0.00 176.83 176.35 2wda h VAL 287 N 0.00 0.80 0.00 0.95 2.07 -1.40 0.27 116.25 118.94 2wda h VAL 287 Ca 0.00 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 2wda h VAL 287 Cb 0.30 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2wda h VAL 287 CO 0.00 0.00 -1.32 -0.33 0.02 0.00 0.00 177.57 175.94 2wda h GLU 288 N -0.17 0.00 0.01 1.57 5.08 -1.74 0.42 114.58 119.76 2wda h GLU 288 Ca 0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.06 2wda h GLU 288 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2wda h GLU 288 CO -0.05 0.50 -1.93 1.58 -1.00 0.00 0.00 179.01 178.11 2wda n HIS 289 N -3.06 0.76 -0.09 4.33 -0.00 -1.07 -4.27 115.22 111.81 2wda n HIS 289 Ca -0.09 0.25 -0.20 0.00 0.46 0.00 0.00 57.72 58.15 2wda n HIS 289 Cb 0.91 -1.13 -0.07 0.00 -0.12 0.00 0.00 29.99 29.58 2wda n HIS 289 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wda n ALA 290 N -2.68 1.75 -0.11 1.57 0.00 0.87 -4.59 120.51 117.33 2wda n ALA 290 Ca -0.23 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.20 2wda n ALA 290 Cb 1.07 0.23 -0.11 0.00 0.00 0.00 0.00 19.45 20.65 2wda n ALA 290 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wda n TYR 291 N -3.75 0.62 -0.27 0.00 4.01 -0.65 -4.49 117.16 112.62 2wda n TYR 291 Ca -0.37 0.24 0.07 0.00 -0.16 0.00 0.00 57.90 57.68 2wda n TYR 291 Cb 0.77 -1.07 0.21 0.00 -0.31 0.00 0.00 39.34 38.95 2wda n TYR 291 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wda h ALA 292 N -0.57 1.15 0.00 -0.72 0.00 -1.09 -0.36 119.26 117.67 2wda h ALA 292 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wda h ALA 292 Cb 1.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2wda h ALA 292 CO -0.25 -0.20 0.00 -1.35 0.00 0.00 0.00 179.25 177.46 2wda h PRO 293 N 0.48 0.00 -0.01 0.00 0.11 -1.79 -0.98 132.00 129.81 2wda h PRO 293 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2wda h PRO 293 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2wda h PRO 293 CO -0.41 0.00 -0.10 1.28 -0.21 0.00 0.00 178.00 178.56 2wda n LEU 294 N -3.07 1.55 -4.62 2.35 4.77 -0.15 -4.82 117.00 113.00 2wda n LEU 294 Ca -0.03 -0.50 -0.38 0.00 -0.03 0.00 0.00 56.01 55.08 2wda n LEU 294 Cb 0.10 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2wda n LEU 294 CO 0.21 0.27 -0.10 -0.63 -1.33 0.00 0.00 177.39 175.80 2wda s ILE 295 N -2.18 5.29 -0.22 -0.08 1.01 -0.37 -1.67 121.20 122.97 2wda s ILE 295 Ca 0.32 0.30 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2wda s ILE 295 Cb 0.20 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 39.15 2wda s ILE 295 CO 0.40 0.26 -0.09 -2.28 0.00 0.00 0.00 174.94 173.23 2wda s HIS 296 N 1.56 2.60 -1.53 3.97 2.46 0.10 -4.77 115.29 119.68 2wda s HIS 296 Ca 0.10 -1.80 -0.15 0.00 0.47 0.00 0.00 55.06 53.68 2wda s HIS 296 Cb -0.15 -1.69 0.13 0.00 -0.13 0.00 0.00 32.58 30.74 2wda s HIS 296 CO 0.08 -0.78 0.71 -0.25 -2.47 0.00 0.00 174.74 172.03 2wda n ASP 297 N 4.63 -3.53 0.00 9.88 9.92 -1.26 -1.39 116.55 134.79 2wda n ASP 297 Ca -0.14 -0.78 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 2wda n ASP 297 Cb 0.45 -2.89 0.00 0.00 -0.64 0.00 0.00 41.12 38.04 2wda n ASP 297 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wda n GLY 298 N -1.33 3.49 3.86 0.44 0.00 -1.26 -3.73 105.19 106.67 2wda n GLY 298 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2wda n GLY 298 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wda s LEU 299 N 0.00 4.12 -0.13 0.99 0.05 -0.49 -3.19 118.68 120.03 2wda s LEU 299 Ca 0.00 1.10 -0.03 0.00 0.05 0.00 0.00 54.13 55.25 2wda s LEU 299 Cb 0.00 -3.87 -0.03 0.00 -2.05 0.00 0.00 46.19 40.24 2wda s LEU 299 CO 0.00 -0.13 -0.01 0.54 -0.55 0.00 0.00 176.35 176.20 2wda s VAL 300 N -1.89 4.18 0.30 1.48 0.11 0.01 -0.72 120.40 123.87 2wda s VAL 300 Ca 0.50 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 2wda s VAL 300 Cb -0.11 -2.80 -0.11 0.00 -1.53 0.00 0.00 36.38 31.83 2wda s VAL 300 CO 0.19 0.54 1.58 -0.04 -3.33 0.00 0.00 175.10 174.04 2wda s MET 301 N -0.19 4.13 0.52 1.54 1.00 -0.67 -4.62 119.30 121.01 2wda s MET 301 Ca 0.05 2.56 0.35 0.00 0.00 0.00 0.00 55.69 58.64 2wda s MET 301 Cb -0.13 -3.03 1.88 0.00 0.00 0.00 0.00 34.83 33.56 2wda s MET 301 CO 0.02 -0.61 2.07 -0.44 0.00 0.00 0.00 175.02 176.06 2wda h ASP 302 N 4.73 0.00 0.40 3.03 3.32 -1.93 -1.15 116.42 124.81 2wda h ASP 302 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2wda h ASP 302 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2wda h ASP 302 CO 0.78 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 179.01 2wda h THR 303 N 0.00 0.00 -0.08 0.35 1.35 -1.94 -2.14 112.91 110.44 2wda h THR 303 Ca 0.00 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 2wda h THR 303 Cb 0.03 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 2wda h THR 303 CO 0.00 0.00 -0.09 1.33 -0.25 0.00 0.00 175.52 176.51 2wda n VAL 304 N -2.69 2.08 0.48 6.82 0.24 -0.44 -4.67 118.33 120.16 2wda n VAL 304 Ca -0.01 -2.38 0.08 0.00 -2.04 0.00 0.00 64.34 59.99 2wda n VAL 304 Cb 0.15 -0.25 0.10 0.00 -1.47 0.00 0.00 33.84 32.37 2wda n VAL 304 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2wda n ASN 305 N -1.17 2.55 0.00 -1.34 3.02 -0.81 -0.96 115.26 116.56 2wda n ASN 305 Ca 0.19 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 2wda n ASN 305 Cb 0.74 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 2wda n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wda n GLY 306 N 0.92 2.43 0.19 7.41 0.00 -1.26 -1.13 105.19 113.76 2wda n GLY 306 Ca 0.11 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.06 2wda n GLY 306 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wda h ARG 307 N 0.00 0.00 0.00 1.61 0.11 -1.94 -3.02 114.38 111.13 2wda h ARG 307 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wda h ARG 307 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wda h ARG 307 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 2wda h ALA 308 N 2.14 1.00 0.00 0.08 0.00 -1.49 -1.90 119.26 119.09 2wda h ALA 308 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wda h ALA 308 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wda h ALA 308 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 179.25 178.41 2wda h ILE 309 N 0.00 0.00 -0.22 0.00 3.07 -1.62 -2.48 117.51 116.27 2wda h ILE 309 Ca 0.00 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.36 2wda h ILE 309 Cb 0.28 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 37.62 2wda h ILE 309 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 2wda n SER 310 N -2.65 2.33 0.02 2.16 3.41 -0.71 -4.63 113.62 113.55 2wda n SER 310 Ca -0.02 -1.81 -0.08 0.00 -0.26 0.00 0.00 58.87 56.70 2wda n SER 310 Cb 0.08 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 2wda n SER 310 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wda h ARG 311 N 3.14 -0.16 0.00 4.33 3.08 -1.64 -3.40 114.38 119.73 2wda h ARG 311 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wda h ARG 311 Cb 0.69 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2wda h ARG 311 CO 0.00 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 2wda n GLY 312 N 1.07 3.32 3.60 0.04 0.00 -1.24 -4.19 105.19 107.79 2wda n GLY 312 Ca -0.06 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2wda n GLY 312 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wda s TYR 313 N 0.00 3.16 0.08 1.61 2.02 -1.26 -0.68 117.35 122.28 2wda s TYR 313 Ca 0.00 0.74 -0.24 0.00 -0.37 0.00 0.00 57.07 57.20 2wda s TYR 313 Cb 0.00 -3.34 -0.06 0.00 -0.40 0.00 0.00 41.96 38.16 2wda s TYR 313 CO 0.00 -0.65 0.71 -0.51 -1.57 0.00 0.00 175.55 173.53 2wda s LEU 314 N 3.08 4.51 0.32 -1.29 1.43 -1.26 -0.97 118.68 124.49 2wda s LEU 314 Ca 0.33 1.44 0.07 0.00 -1.03 0.00 0.00 54.13 54.94 2wda s LEU 314 Cb -0.13 -3.16 0.76 0.00 0.03 0.00 0.00 46.19 43.69 2wda s LEU 314 CO 0.15 0.13 1.80 0.11 0.23 0.00 0.00 176.35 178.77 2wda h LYS 315 N 5.04 0.73 -0.49 1.70 1.57 -0.65 -2.68 116.57 121.78 2wda h LYS 315 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2wda h LYS 315 Cb 1.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wda h LYS 315 CO 0.68 0.48 0.00 0.43 -0.57 0.00 0.00 179.45 180.47 2wda n SER 316 N -4.71 1.53 -4.32 0.86 7.64 -1.26 -4.80 113.62 108.56 2wda n SER 316 Ca 0.22 -2.10 -0.41 0.00 1.01 0.00 0.00 58.87 57.59 2wda n SER 316 Cb 0.56 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 2wda n SER 316 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wda s ASP 317 N -0.66 5.70 0.22 6.43 2.15 -1.01 -4.92 116.67 124.59 2wda s ASP 317 Ca 0.13 -1.27 0.23 0.00 0.43 0.00 0.00 52.55 52.07 2wda s ASP 317 Cb 0.08 -2.01 0.93 0.00 -0.30 0.00 0.00 42.92 41.62 2wda s ASP 317 CO 0.07 -0.48 1.70 0.47 -0.17 0.00 0.00 175.17 176.76 2wda n ASP 318 N 4.97 0.62 0.16 -0.34 8.00 -1.26 -1.90 116.55 126.79 2wda n ASP 318 Ca -0.11 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.15 2wda n ASP 318 Cb 0.44 -0.77 0.18 0.00 -0.02 0.00 0.00 41.12 40.95 2wda n ASP 318 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2wda h LEU 319 N 0.00 0.00 -1.99 0.64 3.38 -1.97 -3.48 115.31 111.88 2wda h LEU 319 Ca 0.00 -0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.55 2wda h LEU 319 Cb 0.41 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.24 2wda h LEU 319 CO 0.00 0.01 -0.84 1.57 0.09 0.00 0.00 178.44 179.27 2wda n HIS 320 N -2.76 -1.97 -3.97 1.13 -0.00 -0.80 -5.00 115.22 101.86 2wda n HIS 320 Ca 0.03 0.80 -0.35 0.00 -0.00 0.00 0.00 57.72 58.20 2wda n HIS 320 Cb 0.51 -4.29 -0.12 0.00 -0.00 0.00 0.00 29.99 26.09 2wda n HIS 320 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2wda s VAL 321 N -3.61 4.37 0.03 3.57 1.01 -1.26 -5.06 120.40 119.44 2wda s VAL 321 Ca 0.09 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2wda s VAL 321 Cb -0.02 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 2wda s VAL 321 CO 0.81 0.41 1.62 -0.32 0.00 0.00 0.00 175.10 177.62 2wda s MET 322 N 0.97 4.21 0.48 2.72 1.75 -1.26 -4.69 119.30 123.47 2wda s MET 322 Ca 0.03 2.25 -0.20 0.00 -1.25 0.00 0.00 55.69 56.52 2wda s MET 322 Cb -0.14 -3.69 -0.09 0.00 2.84 0.00 0.00 34.83 33.75 2wda s MET 322 CO 0.03 -0.74 1.04 1.03 -0.65 0.00 0.00 175.02 175.72 2wda s ARG 323 N 2.94 3.81 0.00 4.11 3.00 0.15 -4.68 118.95 128.28 2wda s ARG 323 Ca 0.73 1.36 0.00 0.00 0.00 0.00 0.00 55.73 57.81 2wda s ARG 323 Cb -0.37 -2.10 0.00 0.00 0.00 0.00 0.00 34.95 32.48 2wda s ARG 323 CO 0.31 -0.42 0.00 -1.13 0.00 0.00 0.00 175.30 174.06 2wda n SER 324 N -0.95 0.00 -0.21 0.23 3.41 -1.26 -3.71 113.62 111.12 2wda n SER 324 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.80 2wda n SER 324 Cb 0.53 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.85 2wda n SER 324 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2wda h ASP 325 N 0.00 0.63 -0.24 4.04 3.04 -1.85 -0.65 116.42 121.39 2wda h ASP 325 Ca 0.00 0.02 -0.17 0.00 -3.24 0.00 0.00 57.03 53.63 2wda h ASP 325 Cb 0.00 -0.11 -0.00 0.00 -1.04 0.00 0.00 39.33 38.18 2wda h ASP 325 CO 0.00 0.37 -0.51 0.45 -2.04 0.00 0.00 179.24 177.51 2wda h HIS 326 N 0.69 1.02 -0.25 4.15 3.86 -1.85 0.64 115.15 123.42 2wda h HIS 326 Ca 0.37 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2wda h HIS 326 Cb 0.50 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2wda h HIS 326 CO -0.00 1.16 0.12 0.35 0.86 0.00 0.00 177.93 180.42 2wda h PHE 327 N 0.64 0.37 -0.36 2.45 3.57 -1.73 0.36 116.94 122.24 2wda h PHE 327 Ca 0.02 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2wda h PHE 327 Cb 1.10 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2wda h PHE 327 CO 0.06 0.35 0.05 0.45 -2.23 0.00 0.00 178.31 176.99 2wda h HIS 328 N 0.27 0.64 -0.91 0.41 3.86 -1.11 -1.65 115.15 116.67 2wda h HIS 328 Ca 0.09 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2wda h HIS 328 Cb 0.13 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 2wda h HIS 328 CO -0.02 0.67 0.53 0.78 0.86 0.00 0.00 177.93 180.75 2wda h GLY 329 N 0.43 1.33 1.14 2.45 0.00 -0.84 -1.01 103.07 106.57 2wda h GLY 329 Ca 0.11 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2wda h GLY 329 CO 0.01 0.55 0.54 1.46 0.00 0.00 0.00 176.54 179.10 2wda h GLN 330 N 1.25 1.02 -0.37 4.80 4.20 -0.60 0.32 115.11 125.74 2wda h GLN 330 Ca 0.32 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.88 2wda h GLN 330 Cb -0.03 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 2wda h GLN 330 CO -0.06 0.68 -0.16 1.96 -0.67 0.00 0.00 178.83 180.57 2wda h GLN 331 N 1.05 0.68 -0.06 1.46 1.08 -0.91 -0.25 115.11 118.16 2wda h GLN 331 Ca 0.31 -0.24 -0.22 0.00 -1.45 0.00 0.00 58.65 57.05 2wda h GLN 331 Cb -0.04 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2wda h GLN 331 CO -0.08 0.81 -0.86 1.25 -0.95 0.00 0.00 178.83 179.00 2wda h LEU 332 N 0.61 0.68 -0.61 1.46 5.85 0.19 -1.74 115.31 121.74 2wda h LEU 332 Ca 0.10 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2wda h LEU 332 Cb 0.62 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2wda h LEU 332 CO 0.04 1.27 0.37 0.40 -0.34 0.00 0.00 178.44 180.18 2wda h ILE 333 N 0.35 1.04 -0.74 4.05 2.04 -0.23 -0.40 117.51 123.62 2wda h ILE 333 Ca -0.07 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2wda h ILE 333 Cb 1.48 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2wda h ILE 333 CO 0.16 0.13 0.41 0.00 0.00 0.00 0.00 178.15 178.85 2wda h ALA 334 N 1.28 0.95 -0.59 1.87 0.00 -0.95 -0.02 119.26 121.79 2wda h ALA 334 Ca 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wda h ALA 334 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2wda h ALA 334 CO -0.12 0.46 0.25 0.00 0.00 0.00 0.00 179.25 179.84 2wda h ALA 335 N 1.21 1.33 -0.26 0.00 0.00 -0.79 -1.26 119.26 119.48 2wda h ALA 335 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2wda h ALA 335 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wda h ALA 335 CO -0.04 0.51 -0.12 0.52 0.00 0.00 0.00 179.25 180.11 2wda h MET 336 N 0.85 0.44 -0.52 0.00 2.07 0.47 -1.71 114.93 116.53 2wda h MET 336 Ca 0.20 -0.12 -0.07 0.00 -2.07 0.00 0.00 59.70 57.64 2wda h MET 336 Cb 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 2wda h MET 336 CO -0.02 0.56 0.04 0.00 1.07 0.00 0.00 176.91 178.56 2wda h ALA 337 N 1.47 0.69 -0.05 6.32 0.00 0.07 -0.90 119.26 126.85 2wda h ALA 337 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wda h ALA 337 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wda h ALA 337 CO 0.03 0.47 0.02 0.28 0.00 0.00 0.00 179.25 180.04 2wda h VAL 338 N 0.76 1.17 -0.70 0.00 2.07 -1.17 -2.95 116.25 115.43 2wda h VAL 338 Ca 0.15 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 67.31 2wda h VAL 338 Cb 0.47 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2wda h VAL 338 CO 0.02 0.14 0.47 0.25 0.02 0.00 0.00 177.57 178.47 2wda h LEU 339 N -0.11 0.28 -1.50 2.57 5.85 -1.17 -1.79 115.31 119.45 2wda h LEU 339 Ca 0.02 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2wda h LEU 339 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2wda h LEU 339 CO -0.00 0.15 -0.25 0.00 -0.34 0.00 0.00 178.44 177.99 2wda h ALA 340 N 1.67 1.58 -0.95 1.25 0.00 -0.98 -2.40 119.26 119.43 2wda h ALA 340 Ca 0.34 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.25 2wda h ALA 340 Cb 0.90 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2wda h ALA 340 CO -0.08 0.32 0.63 0.78 0.00 0.00 0.00 179.25 180.89 2wda h GLY 341 N 0.76 0.90 -2.01 0.00 0.00 -1.38 -1.12 103.07 100.21 2wda h GLY 341 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wda h GLY 341 CO 0.03 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.14 2wda n GLY 342 N -1.52 2.24 3.91 4.60 0.00 -0.91 -5.00 105.19 108.51 2wda n GLY 342 Ca 0.21 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2wda n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda s ALA 343 N -1.09 2.79 0.96 4.61 0.00 -0.43 -5.07 121.76 123.53 2wda s ALA 343 Ca 0.36 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 2wda s ALA 343 Cb 0.19 -2.82 0.17 0.00 0.00 0.00 0.00 23.12 20.66 2wda s ALA 343 CO 0.26 -1.61 1.11 -1.54 0.00 0.00 0.00 175.76 173.98 2wda s SER 344 N -4.59 2.99 0.15 0.00 1.04 -1.26 -4.78 113.70 107.26 2wda s SER 344 Ca 0.62 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 2wda s SER 344 Cb -0.10 -1.70 0.02 0.00 0.10 0.00 0.00 66.02 64.34 2wda s SER 344 CO 0.48 -2.89 1.79 0.78 0.98 0.00 0.00 173.24 174.38 2wda h ASN 345 N -1.73 0.51 -0.49 7.02 2.35 -1.97 0.16 115.58 121.43 2wda h ASN 345 Ca -0.53 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.10 2wda h ASN 345 Cb 1.33 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 2wda h ASN 345 CO 0.60 0.41 0.03 0.00 -1.65 0.00 0.00 177.43 176.81 2wda h ALA 346 N 1.12 0.66 0.01 -0.83 0.00 -1.98 0.51 119.26 118.76 2wda h ALA 346 Ca 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wda h ALA 346 Cb -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wda h ALA 346 CO -0.03 0.44 -0.01 0.93 0.00 0.00 0.00 179.25 180.59 2wda h GLU 347 N 0.72 -0.02 -0.69 0.00 5.08 -1.83 -2.09 114.58 115.74 2wda h GLU 347 Ca 0.14 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2wda h GLU 347 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2wda h GLU 347 CO 0.02 0.13 0.42 -0.09 -1.00 0.00 0.00 179.01 178.49 2wda h ARG 348 N -0.17 0.77 -0.83 2.33 2.43 -0.63 0.82 114.38 119.10 2wda h ARG 348 Ca -0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2wda h ARG 348 Cb 0.16 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2wda h ARG 348 CO 0.00 0.51 0.54 1.49 -1.51 0.00 0.00 179.97 181.01 2wda h GLU 349 N 0.80 1.09 -0.18 0.20 4.81 -0.78 0.43 114.58 120.95 2wda h GLU 349 Ca 0.29 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2wda h GLU 349 Cb 0.09 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2wda h GLU 349 CO -0.14 0.73 -0.06 0.00 -0.73 0.00 0.00 179.01 178.81 2wda h ARG 350 N 1.12 0.37 -0.31 1.92 3.08 -0.56 -2.44 114.38 117.56 2wda h ARG 350 Ca 0.30 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.23 2wda h ARG 350 Cb -0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 2wda h ARG 350 CO -0.06 0.65 0.13 -1.49 -1.07 0.00 0.00 179.97 178.12 2wda h TRP 351 N 0.07 0.24 -0.95 3.04 6.55 -0.68 -0.95 115.95 123.26 2wda h TRP 351 Ca 0.04 0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.94 2wda h TRP 351 Cb 0.52 -0.06 -0.06 0.00 -0.86 0.00 0.00 29.16 28.71 2wda h TRP 351 CO 0.06 0.12 0.62 0.45 -1.05 0.00 0.00 178.44 178.64 2wda h HIS 352 N 0.28 1.15 -0.50 0.49 3.86 -0.95 0.38 115.15 119.86 2wda h HIS 352 Ca 0.13 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 2wda h HIS 352 Cb 0.08 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.15 2wda h HIS 352 CO -0.12 0.66 -0.13 0.00 0.86 0.00 0.00 177.93 179.20 2wda h ALA 353 N 1.45 0.83 -0.32 2.45 0.00 -0.89 0.15 119.26 122.93 2wda h ALA 353 Ca 0.38 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2wda h ALA 353 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wda h ALA 353 CO -0.12 0.65 -0.39 0.00 0.00 0.00 0.00 179.25 179.39 2wda h ARG 354 N 0.84 0.77 -0.44 0.00 3.08 -0.14 0.20 114.38 118.68 2wda h ARG 354 Ca 0.13 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 2wda h ARG 354 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2wda h ARG 354 CO 0.05 1.02 -0.18 0.82 -1.07 0.00 0.00 179.97 180.61 2wda h ILE 355 N 0.63 1.27 -0.98 2.04 2.04 0.01 -1.25 117.51 121.27 2wda h ILE 355 Ca 0.05 -1.32 0.12 0.00 1.00 0.00 0.00 64.86 64.71 2wda h ILE 355 Cb 0.94 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2wda h ILE 355 CO 0.09 0.45 0.62 0.11 0.00 0.00 0.00 178.15 179.42 2wda h LYS 356 N 0.72 0.93 -0.12 2.37 1.57 -0.66 0.61 116.57 121.99 2wda h LYS 356 Ca 0.10 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2wda h LYS 356 Cb 0.74 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2wda h LYS 356 CO 0.06 0.61 0.06 0.78 -0.57 0.00 0.00 179.45 180.39 2wda h GLY 357 N 0.95 0.17 1.04 3.86 0.00 -0.92 0.21 103.07 108.39 2wda h GLY 357 Ca 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 2wda h GLY 357 CO -0.25 0.07 0.42 1.49 0.00 0.00 0.00 176.54 178.28 2wda h TRP 358 N 0.10 1.24 -0.68 5.60 6.55 -0.48 -1.67 115.95 126.61 2wda h TRP 358 Ca 0.04 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 59.79 2wda h TRP 358 Cb 0.06 -0.38 -0.03 0.00 -0.86 0.00 0.00 29.16 27.95 2wda h TRP 358 CO -0.05 0.89 0.29 0.82 -1.05 0.00 0.00 178.44 179.34 2wda h ILE 359 N 1.23 1.24 -0.61 1.49 2.04 -0.64 0.77 117.51 123.02 2wda h ILE 359 Ca 0.30 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2wda h ILE 359 Cb 0.11 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2wda h ILE 359 CO -0.04 0.29 0.07 -0.33 0.00 0.00 0.00 178.15 178.15 2wda h GLU 360 N 0.95 1.01 0.00 2.37 5.08 -0.43 -3.28 114.58 120.28 2wda h GLU 360 Ca 0.23 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wda h GLU 360 Cb 0.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wda h GLU 360 CO -0.02 0.94 -1.20 0.54 -1.00 0.00 0.00 179.01 178.27 2wda n ARG 361 N -4.21 0.51 -2.35 2.33 1.74 -0.68 -4.71 116.66 109.29 2wda n ARG 361 Ca 0.04 0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.78 2wda n ARG 361 Cb 0.29 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 2wda n ARG 361 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wda s ASP 362 N -4.73 5.94 0.00 0.55 -1.08 0.24 -4.70 116.67 112.88 2wda s ASP 362 Ca -0.01 -1.02 0.26 0.00 -0.52 0.00 0.00 52.55 51.26 2wda s ASP 362 Cb 0.12 -2.56 0.61 0.00 -1.46 0.00 0.00 42.92 39.62 2wda s ASP 362 CO 0.81 -2.01 1.49 0.35 0.52 0.00 0.00 175.17 176.33 2wda n THR 363 N 7.22 0.00 -0.06 1.71 -2.24 -1.26 -3.77 114.28 115.88 2wda n THR 363 Ca 0.33 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2wda n THR 363 Cb 0.49 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 2wda n THR 363 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wda h VAL 364 N 3.40 1.33 -2.90 2.28 2.07 -1.90 -3.44 116.25 117.11 2wda h VAL 364 Ca 0.00 -1.95 -0.58 0.00 0.82 0.00 0.00 66.70 65.00 2wda h VAL 364 Cb 0.74 2.50 -0.40 0.00 -1.52 0.00 0.00 31.29 32.61 2wda h VAL 364 CO 0.00 0.44 -0.78 0.42 0.02 0.00 0.00 177.57 177.67 2wda s THR 365 N -2.20 0.63 -0.15 2.57 -4.23 -1.26 -5.11 115.64 105.89 2wda s THR 365 Ca -0.14 -1.63 -0.38 0.00 -1.18 0.00 0.00 61.69 58.36 2wda s THR 365 Cb -0.02 -1.47 -0.15 0.00 1.34 0.00 0.00 72.50 72.21 2wda s THR 365 CO 0.52 -0.82 1.72 -2.65 -0.54 0.00 0.00 174.62 172.85 2wda n PRO 366 N 4.41 1.50 -0.34 3.99 -0.02 -1.25 -4.83 135.00 138.46 2wda n PRO 366 Ca 0.03 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 2wda n PRO 366 Cb 0.39 -2.28 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 2wda n PRO 366 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wda h VAL 367 N 4.92 1.17 0.00 -1.45 2.07 -1.85 -2.37 116.25 118.74 2wda h VAL 367 Ca -0.47 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2wda h VAL 367 Cb 1.30 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2wda h VAL 367 CO 0.93 0.22 0.00 -0.07 0.02 0.00 0.00 177.57 178.66 2wda h LEU 368 N 1.19 0.00 -2.83 2.57 3.38 -1.93 -2.21 115.31 115.48 2wda h LEU 368 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 2wda h LEU 368 Cb -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2wda h LEU 368 CO -0.11 0.00 -0.43 0.35 0.09 0.00 0.00 178.44 178.34 2wda n THR 369 N -2.60 1.35 -1.69 0.22 -2.24 -1.08 -4.90 114.28 103.34 2wda n THR 369 Ca 0.02 -1.99 -0.44 0.00 -2.27 0.00 0.00 64.05 59.36 2wda n THR 369 Cb 0.29 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 2wda n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wda n ALA 370 N -0.75 1.89 0.42 6.98 0.00 -0.83 -4.84 120.51 123.38 2wda n ALA 370 Ca 0.13 0.40 0.12 0.00 0.00 0.00 0.00 53.44 54.08 2wda n ALA 370 Cb 0.76 -2.45 0.48 0.00 0.00 0.00 0.00 19.45 18.23 2wda n ALA 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wda n PRO 371 N 4.15 0.19 0.15 0.00 -0.04 -1.26 -2.05 135.00 136.13 2wda n PRO 371 Ca 0.17 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 2wda n PRO 371 Cb 0.32 -1.85 0.39 0.00 -0.04 0.00 0.00 33.50 32.32 2wda n PRO 371 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2wda h GLN 372 N 0.00 0.00 -6.31 0.54 -0.00 -1.98 -3.46 115.11 103.91 2wda h GLN 372 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.10 2wda h GLN 372 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.84 2wda h GLN 372 CO 0.00 0.00 0.63 -0.06 -0.00 0.00 0.00 178.83 179.40 2wda s PHE 373 N -3.21 3.34 0.90 0.06 0.08 -0.87 -5.06 117.98 113.23 2wda s PHE 373 Ca 0.08 1.38 -0.13 0.00 0.12 0.00 0.00 56.93 58.38 2wda s PHE 373 Cb 0.10 -3.32 0.13 0.00 -0.57 0.00 0.00 43.02 39.36 2wda s PHE 373 CO 0.57 -0.85 1.16 -1.25 -0.10 0.00 0.00 175.22 174.76 2wda s PRO 374 N 2.03 1.23 0.52 0.24 0.04 -1.26 -4.80 135.00 133.01 2wda s PRO 374 Ca 0.53 0.18 0.22 0.00 0.04 0.00 0.00 61.00 61.97 2wda s PRO 374 Cb -0.22 -1.86 1.42 0.00 0.04 0.00 0.00 34.50 33.87 2wda s PRO 374 CO 0.21 -2.11 2.13 -0.39 0.04 0.00 0.00 177.00 176.88 2wda h VAL 375 N -1.43 0.80 -0.61 -0.36 -1.51 -1.92 -1.57 116.25 109.64 2wda h VAL 375 Ca -0.49 -0.26 -0.09 0.00 -1.23 0.00 0.00 66.70 64.64 2wda h VAL 375 Cb 1.32 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 2wda h VAL 375 CO 0.60 0.07 0.05 0.00 -1.23 0.00 0.00 177.57 177.06 2wda h ALA 376 N 1.93 0.92 -0.02 5.19 0.00 -1.82 0.28 119.26 125.74 2wda h ALA 376 Ca -0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2wda h ALA 376 Cb 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wda h ALA 376 CO 0.01 0.65 -0.94 -0.44 0.00 0.00 0.00 179.25 178.53 2wda h ASP 377 N 0.96 0.66 -0.59 0.00 3.32 -1.68 -2.68 116.42 116.41 2wda h ASP 377 Ca 0.18 -0.52 0.09 0.00 0.02 0.00 0.00 57.03 56.81 2wda h ASP 377 Cb 0.49 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2wda h ASP 377 CO 0.02 1.31 0.19 -0.07 -1.72 0.00 0.00 179.24 178.98 2wda h LEU 378 N 0.30 0.16 -0.55 1.55 3.38 -1.07 -1.57 115.31 117.51 2wda h LEU 378 Ca -0.09 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2wda h LEU 378 Cb 1.58 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 2wda h LEU 378 CO 0.17 0.10 0.22 0.74 0.09 0.00 0.00 178.44 179.76 2wda h THR 379 N 0.36 1.22 -0.54 0.22 2.02 -0.90 -0.06 112.91 115.23 2wda h THR 379 Ca 0.30 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 2wda h THR 379 Cb 0.38 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2wda h THR 379 CO -0.32 0.26 -0.00 0.03 0.37 0.00 0.00 175.52 175.86 2wda h ARG 380 N 0.75 0.92 0.11 6.66 3.08 -1.11 -0.62 114.38 124.16 2wda h ARG 380 Ca 0.18 -0.27 -0.27 0.00 0.07 0.00 0.00 59.98 59.69 2wda h ARG 380 Cb 0.20 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2wda h ARG 380 CO -0.01 0.92 -1.19 -0.07 -1.07 0.00 0.00 179.97 178.54 2wda h LEU 381 N 0.85 0.59 -1.18 3.04 3.38 -1.07 -2.40 115.31 118.52 2wda h LEU 381 Ca 0.16 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2wda h LEU 381 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wda h LEU 381 CO 0.03 1.41 0.03 0.45 0.09 0.00 0.00 178.44 180.45 2wda h HIS 382 N 0.16 0.62 -0.48 1.13 3.86 -0.99 0.17 115.15 119.63 2wda h HIS 382 Ca -0.14 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 58.97 2wda h HIS 382 Cb 1.88 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 30.15 2wda h HIS 382 CO 0.08 0.58 0.15 0.00 0.86 0.00 0.00 177.93 179.60 2wda h ALA 383 N 1.46 0.63 -0.42 2.45 0.00 -0.83 -1.98 119.26 120.57 2wda h ALA 383 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wda h ALA 383 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wda h ALA 383 CO 0.01 0.28 0.13 0.82 0.00 0.00 0.00 179.25 180.49 2wda h ILE 384 N 0.64 1.22 -1.00 0.00 2.04 -1.12 -2.31 117.51 116.98 2wda h ILE 384 Ca 0.15 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.42 2wda h ILE 384 Cb 0.28 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 2wda h ILE 384 CO -0.00 0.26 0.63 0.00 0.00 0.00 0.00 178.15 179.03 2wda h ALA 385 N 0.98 1.54 0.00 1.87 0.00 -0.42 -2.82 119.26 120.40 2wda h ALA 385 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wda h ALA 385 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wda h ALA 385 CO -0.00 0.17 -0.75 -0.25 0.00 0.00 0.00 179.25 178.42 2wda n ASP 386 N -4.65 0.62 -4.67 0.00 8.00 -0.77 -4.93 116.55 110.16 2wda n ASP 386 Ca 0.20 -0.26 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 2wda n ASP 386 Cb 0.40 0.50 0.16 0.00 -0.02 0.00 0.00 41.12 42.15 2wda n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wda s ALA 387 N -3.09 1.22 0.31 2.24 0.00 -0.88 -4.99 121.76 116.58 2wda s ALA 387 Ca 0.08 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.01 2wda s ALA 387 Cb 0.16 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 2wda s ALA 387 CO 0.75 -2.66 0.66 -1.25 0.00 0.00 0.00 175.76 173.27 2wda s PRO 388 N -4.79 3.82 0.00 0.00 0.04 -1.26 -4.95 135.00 127.85 2wda s PRO 388 Ca 0.65 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2wda s PRO 388 Cb -0.20 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2wda s PRO 388 CO 0.58 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.20 2wda n GLY 389 N -0.64 3.89 3.92 0.56 0.00 -1.26 -5.05 105.19 106.61 2wda n GLY 389 Ca 0.01 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 2wda n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wda s GLU 390 N -2.76 3.56 0.08 1.61 0.41 -1.26 -5.07 118.70 115.27 2wda s GLU 390 Ca 0.00 -0.23 -0.31 0.00 -0.41 0.00 0.00 54.97 54.02 2wda s GLU 390 Cb 0.00 -2.79 -0.07 0.00 -1.78 0.00 0.00 34.13 29.49 2wda s GLU 390 CO 0.00 0.36 1.31 0.00 -0.49 0.00 0.00 175.26 176.44 2wda s ALA 391 N -1.90 3.51 0.23 5.21 0.00 -1.26 -4.62 121.76 122.92 2wda s ALA 391 Ca 0.40 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 2wda s ALA 391 Cb -0.11 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 2wda s ALA 391 CO 0.29 -0.56 0.85 0.00 0.00 0.00 0.00 175.76 176.34 2wda s ALA 392 N 1.17 3.36 0.71 0.00 0.00 0.02 -4.82 121.76 122.20 2wda s ALA 392 Ca 0.62 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 2wda s ALA 392 Cb -0.33 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2wda s ALA 392 CO 0.29 0.25 1.07 -1.25 0.00 0.00 0.00 175.76 176.13 2wda s PRO 393 N -1.51 2.87 0.04 0.00 0.04 -1.26 -4.14 135.00 131.04 2wda s PRO 393 Ca 0.42 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 2wda s PRO 393 Cb -0.22 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2wda s PRO 393 CO 0.26 -1.08 1.30 -1.21 0.04 0.00 0.00 177.00 176.31 2wda s GLU 394 N -5.19 4.35 0.33 4.56 2.02 -1.26 -4.98 118.70 118.53 2wda s GLU 394 Ca 0.58 1.89 -0.29 0.00 0.02 0.00 0.00 54.97 57.17 2wda s GLU 394 Cb -0.13 -3.41 -0.11 0.00 0.10 0.00 0.00 34.13 30.59 2wda s GLU 394 CO 0.54 -0.41 1.39 -2.14 0.02 0.00 0.00 175.26 174.66 2wda s PRO 395 N 1.58 4.25 0.32 0.39 0.02 -1.26 -4.97 135.00 135.35 2wda s PRO 395 Ca 0.61 2.36 -0.29 0.00 0.02 0.00 0.00 61.00 63.70 2wda s PRO 395 Cb -0.31 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.06 2wda s PRO 395 CO 0.28 -0.35 1.39 0.08 -0.33 0.00 0.00 177.00 178.07 2wda s VAL 396 N -0.95 2.50 -5.00 3.83 1.01 -1.26 -4.81 120.40 115.72 2wda s VAL 396 Ca 0.52 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2wda s VAL 396 Cb -0.43 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2wda s VAL 396 CO 0.55 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2wda n GLY 397 N 1.05 -2.67 3.02 4.51 0.00 -0.94 -5.00 105.19 105.16 2wda n GLY 397 Ca 0.02 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 2wda n GLY 397 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wda s HIS 398 N -2.03 1.02 -0.14 1.61 2.46 0.43 -1.09 115.29 117.54 2wda s HIS 398 Ca 0.00 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.28 2wda s HIS 398 Cb 0.00 -0.71 0.03 0.00 -0.13 0.00 0.00 32.58 31.77 2wda s HIS 398 CO 0.00 -0.09 -0.11 -1.58 -2.47 0.00 0.00 174.74 170.49 2wda s HIS 399 N 0.09 1.96 -0.45 3.88 5.04 -0.27 -4.45 115.29 121.10 2wda s HIS 399 Ca -0.02 -1.11 -0.12 0.00 -1.54 0.00 0.00 55.06 52.27 2wda s HIS 399 Cb -0.08 -1.47 0.08 0.00 0.04 0.00 0.00 32.58 31.15 2wda s HIS 399 CO 0.00 -0.63 0.33 -1.17 -2.34 0.00 0.00 174.74 170.94 2wda s LEU 400 N 1.55 5.43 -1.21 8.88 2.96 -1.26 -1.16 118.68 133.88 2wda s LEU 400 Ca 0.04 -1.45 -0.12 0.00 -0.22 0.00 0.00 54.13 52.38 2wda s LEU 400 Cb -0.13 -2.09 0.19 0.00 0.50 0.00 0.00 46.19 44.66 2wda s LEU 400 CO -0.10 -0.61 1.48 0.49 -1.32 0.00 0.00 176.35 176.30 2wda n PHE 401 N 5.06 4.52 -0.20 5.38 3.72 0.23 -4.80 117.46 131.37 2wda n PHE 401 Ca -0.11 -3.29 -0.10 0.00 -0.05 0.00 0.00 57.45 53.90 2wda n PHE 401 Cb 0.43 -2.04 0.02 0.00 -0.94 0.00 0.00 39.48 36.95 2wda n PHE 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wda h ALA 402 N 6.72 0.77 -0.14 4.37 0.00 -1.87 -2.11 119.26 127.00 2wda h ALA 402 Ca 0.31 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wda h ALA 402 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wda h ALA 402 CO 1.29 0.61 0.11 0.00 0.00 0.00 0.00 179.25 181.27 2wda h ALA 403 N 0.96 1.97 -0.29 0.00 0.00 -1.87 -0.99 119.26 119.04 2wda h ALA 403 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wda h ALA 403 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wda h ALA 403 CO 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2wda n MET 404 N -4.23 3.01 -3.83 0.00 0.00 -0.89 -4.92 117.12 106.25 2wda n MET 404 Ca 0.00 -2.89 -0.25 0.00 0.00 0.00 0.00 57.70 54.56 2wda n MET 404 Cb 0.23 -1.88 0.02 0.00 0.00 0.00 0.00 33.22 31.59 2wda n MET 404 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2wda n ASP 405 N -0.47 -2.32 -4.08 3.17 8.00 -0.38 -4.73 116.55 115.74 2wda n ASP 405 Ca 0.23 -0.84 -0.19 0.00 0.71 0.00 0.00 54.79 54.69 2wda n ASP 405 Cb 0.93 -3.79 -0.14 0.00 -0.02 0.00 0.00 41.12 38.10 2wda n ASP 405 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wda s ARG 406 N -6.32 0.84 0.01 -1.24 1.81 -0.88 -1.52 118.95 111.65 2wda s ARG 406 Ca 0.25 -0.56 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 2wda s ARG 406 Cb -0.13 -0.80 -0.01 0.00 -0.45 0.00 0.00 34.95 33.56 2wda s ARG 406 CO 0.83 0.21 -0.09 0.00 -0.68 0.00 0.00 175.30 175.58 2wda s ALA 407 N -0.59 0.70 -0.04 2.13 0.00 -1.08 0.75 121.76 123.63 2wda s ALA 407 Ca 0.02 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2wda s ALA 407 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2wda s ALA 407 CO 0.00 0.14 -0.17 0.08 0.00 0.00 0.00 175.76 175.81 2wda s VAL 408 N -0.47 1.44 -0.02 0.00 1.01 -0.31 -1.04 120.40 121.01 2wda s VAL 408 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2wda s VAL 408 Cb -0.05 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2wda s VAL 408 CO 0.00 0.41 -0.09 -2.28 0.00 0.00 0.00 175.10 173.14 2wda s HIS 409 N -0.09 0.91 -0.04 5.22 2.46 -0.37 -1.11 115.29 122.27 2wda s HIS 409 Ca -0.01 -0.22 0.02 0.00 0.47 0.00 0.00 55.06 55.33 2wda s HIS 409 Cb -0.10 -0.64 0.01 0.00 -0.13 0.00 0.00 32.58 31.71 2wda s HIS 409 CO 0.01 -0.08 -0.09 1.03 -2.47 0.00 0.00 174.74 173.14 2wda s ARG 410 N 0.13 1.07 0.20 2.88 0.52 -0.25 -1.05 118.95 122.44 2wda s ARG 410 Ca -0.02 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2wda s ARG 410 Cb -0.08 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 34.37 2wda s ARG 410 CO 0.00 0.06 0.02 1.03 0.02 0.00 0.00 175.30 176.43 2wda s ARG 411 N 0.42 1.20 0.35 3.54 1.81 0.91 -2.22 118.95 124.96 2wda s ARG 411 Ca -0.07 -1.60 0.09 0.00 -1.72 0.00 0.00 55.73 52.43 2wda s ARG 411 Cb -0.11 -0.30 0.82 0.00 -0.45 0.00 0.00 34.95 34.91 2wda s ARG 411 CO 0.01 -0.16 1.84 -1.35 -0.68 0.00 0.00 175.30 174.96 2wda h PRO 412 N 2.60 0.67 0.00 3.54 0.11 -2.00 -2.43 132.00 134.49 2wda h PRO 412 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wda h PRO 412 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wda h PRO 412 CO 0.62 0.44 -0.48 0.00 -0.21 0.00 0.00 178.00 178.38 2wda h ALA 413 N 1.60 0.71 -2.22 -0.75 0.00 -1.90 -3.43 119.26 113.28 2wda h ALA 413 Ca 0.49 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.57 2wda h ALA 413 Cb 0.83 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 2wda h ALA 413 CO -0.25 0.00 0.53 -0.59 0.00 0.00 0.00 179.25 178.94 2wda s PHE 414 N -3.20 -0.18 -0.01 0.00 -0.12 -0.92 -1.18 117.98 112.37 2wda s PHE 414 Ca 0.06 -0.05 0.07 0.00 -0.05 0.00 0.00 56.93 56.96 2wda s PHE 414 Cb 0.11 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 43.08 2wda s PHE 414 CO 0.70 -0.68 -0.23 0.99 -0.05 0.00 0.00 175.22 175.95 2wda s THR 415 N -3.13 1.81 0.03 -4.49 2.01 -0.75 -0.06 115.64 111.05 2wda s THR 415 Ca 0.10 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.10 2wda s THR 415 Cb -0.01 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2wda s THR 415 CO -0.02 0.48 -0.05 0.00 -0.69 0.00 0.00 174.62 174.35 2wda s ALA 416 N -0.57 0.31 -0.06 7.40 0.00 -0.22 -1.01 121.76 127.61 2wda s ALA 416 Ca 0.09 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2wda s ALA 416 Cb -0.09 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2wda s ALA 416 CO -0.01 -0.11 -0.06 0.20 0.00 0.00 0.00 175.76 175.79 2wda s GLY 417 N -1.52 0.57 -0.15 0.00 0.00 0.31 -1.24 107.32 105.29 2wda s GLY 417 Ca -0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 2wda s GLY 417 CO -0.01 0.54 0.08 -2.27 0.00 0.00 0.00 173.10 171.45 2wda s LEU 418 N 1.15 3.98 -0.14 0.66 2.96 -0.20 -0.16 118.68 126.92 2wda s LEU 418 Ca -0.07 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2wda s LEU 418 Cb -0.14 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2wda s LEU 418 CO -0.01 0.28 -0.15 0.00 -1.32 0.00 0.00 176.35 175.14 2wda s ALA 419 N -0.25 2.51 0.07 5.97 0.00 0.99 -2.64 121.76 128.41 2wda s ALA 419 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2wda s ALA 419 Cb -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2wda s ALA 419 CO 0.01 0.07 0.01 -1.33 0.00 0.00 0.00 175.76 174.52 2wda n MET 420 N 3.86 1.77 -3.56 0.00 2.81 -0.57 -1.40 117.12 120.03 2wda n MET 420 Ca -0.19 -0.47 -0.17 0.00 -1.81 0.00 0.00 57.70 55.06 2wda n MET 420 Cb 0.52 0.11 -0.06 0.00 -0.71 0.00 0.00 33.22 33.08 2wda n MET 420 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wda s ALA 421 N -2.11 -1.65 0.00 3.04 0.00 -1.18 -4.69 121.76 115.17 2wda s ALA 421 Ca 0.01 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2wda s ALA 421 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2wda s ALA 421 CO 0.00 -0.35 0.00 -1.13 0.00 0.00 0.00 175.76 174.28 2wda n SER 422 N 1.12 0.00 0.08 0.00 3.41 -0.56 -4.87 113.62 112.81 2wda n SER 422 Ca -0.19 -0.97 0.11 0.00 -0.26 0.00 0.00 58.87 57.56 2wda n SER 422 Cb 0.57 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.97 2wda n SER 422 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wda n ASP 423 N -1.64 0.50 0.05 4.04 5.75 -0.98 -2.38 116.55 121.88 2wda n ASP 423 Ca 0.00 0.59 0.08 0.00 -0.01 0.00 0.00 54.79 55.46 2wda n ASP 423 Cb 0.00 -0.71 -0.08 0.00 -1.03 0.00 0.00 41.12 39.30 2wda n ASP 423 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wda n ARG 424 N -2.02 0.63 -4.02 0.11 1.74 -1.26 -4.95 116.66 106.89 2wda n ARG 424 Ca 0.04 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 2wda n ARG 424 Cb 0.28 -1.71 -0.17 0.00 -1.02 0.00 0.00 32.46 29.84 2wda n ARG 424 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wda s ILE 425 N -3.29 0.62 0.53 0.55 -1.09 -1.00 -4.55 121.20 112.97 2wda s ILE 425 Ca -0.04 -0.10 -0.22 0.00 -2.23 0.00 0.00 60.65 58.07 2wda s ILE 425 Cb 0.11 -0.68 -0.05 0.00 -1.58 0.00 0.00 42.46 40.26 2wda s ILE 425 CO 0.83 0.27 1.33 0.00 -1.23 0.00 0.00 174.94 176.15 2wda s ALA 426 N 1.40 2.84 0.31 9.38 0.00 0.32 -1.49 121.76 134.52 2wda s ALA 426 Ca -0.03 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.29 2wda s ALA 426 Cb -0.13 -3.54 0.86 0.00 0.00 0.00 0.00 23.12 20.30 2wda s ALA 426 CO -0.03 -1.28 1.68 0.45 0.00 0.00 0.00 175.76 176.58 2wda h HIS 427 N 1.54 0.72 -1.38 0.00 3.86 -1.59 -3.45 115.15 114.86 2wda h HIS 427 Ca -0.51 0.04 0.33 0.00 -1.16 0.00 0.00 60.37 59.07 2wda h HIS 427 Cb 1.29 -0.17 -0.14 0.00 1.06 0.00 0.00 27.41 29.46 2wda h HIS 427 CO 0.47 -0.11 0.85 1.52 0.86 0.00 0.00 177.93 181.52 2wda s TYR 428 N -5.81 -0.05 -0.09 2.45 1.13 -1.26 -2.45 117.35 111.27 2wda s TYR 428 Ca -0.11 -0.03 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 2wda s TYR 428 Cb 0.27 0.53 -0.00 0.00 -1.10 0.00 0.00 41.96 41.66 2wda s TYR 428 CO 0.78 -0.22 -0.24 -2.00 -2.51 0.00 0.00 175.55 171.36 2wda s GLU 429 N -2.36 2.92 0.18 -3.49 2.12 -1.26 -3.93 118.70 112.89 2wda s GLU 429 Ca 0.13 -0.88 0.10 0.00 0.36 0.00 0.00 54.97 54.68 2wda s GLU 429 Cb 0.04 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 2wda s GLU 429 CO -0.04 0.23 -0.18 0.00 -0.54 0.00 0.00 175.26 174.74 2wda n GLY 431 N 0.21 1.68 2.96 0.00 0.00 -0.91 -1.49 105.19 107.65 2wda n GLY 431 Ca -0.12 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 2wda n GLY 431 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wda n ASN 432 N 0.00 -4.05 0.00 1.61 3.02 -1.26 -0.72 115.26 113.86 2wda n ASN 432 Ca 0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2wda n ASN 432 Cb 0.00 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 2wda n ASN 432 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wda n GLY 433 N -1.07 0.66 3.51 7.41 0.00 -1.26 -4.74 105.19 109.70 2wda n GLY 433 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2wda n GLY 433 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wda s GLU 434 N -0.14 2.33 -1.28 1.61 2.02 0.10 -1.17 118.70 122.18 2wda s GLU 434 Ca 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 2wda s GLU 434 Cb 0.00 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.90 2wda s GLU 434 CO 0.00 0.58 0.97 -1.71 0.02 0.00 0.00 175.26 175.12 2wda n ASN 435 N 1.71 -2.85 0.20 -0.19 5.15 -0.41 -2.13 115.26 116.73 2wda n ASN 435 Ca -0.16 -0.66 0.15 0.00 -0.60 0.00 0.00 54.58 53.31 2wda n ASN 435 Cb 0.52 -4.80 0.61 0.00 -0.53 0.00 0.00 39.78 35.59 2wda n ASN 435 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wda h PRO 436 N -2.06 0.00 -0.15 1.20 0.13 -1.84 -3.14 132.00 126.13 2wda h PRO 436 Ca -0.59 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2wda h PRO 436 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2wda h PRO 436 CO 0.54 0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 178.83 2wda n ARG 437 N -2.61 2.18 -0.05 0.86 1.74 -1.26 -1.02 116.66 116.50 2wda n ARG 437 Ca 0.01 -2.76 0.01 0.00 -0.77 0.00 0.00 57.85 54.34 2wda n ARG 437 Cb 0.24 -1.70 0.03 0.00 -1.02 0.00 0.00 32.46 30.01 2wda n ARG 437 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wda n GLY 438 N -0.93 -0.01 0.33 -0.13 0.00 -1.19 -4.52 105.19 98.74 2wda n GLY 438 Ca 0.20 -0.08 0.25 0.00 0.00 0.00 0.00 46.02 46.39 2wda n GLY 438 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wda h TRP 439 N 0.40 0.50 -0.45 1.61 6.55 -1.87 -1.66 115.95 121.02 2wda h TRP 439 Ca 0.00 0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.89 2wda h TRP 439 Cb 0.25 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 2wda h TRP 439 CO 0.06 -0.45 0.00 0.72 -1.05 0.00 0.00 178.44 177.73 2wda n HIS 440 N -5.34 1.09 0.49 0.49 8.25 -1.26 -4.23 115.22 114.72 2wda n HIS 440 Ca 0.32 -0.67 0.07 0.00 -0.26 0.00 0.00 57.72 57.18 2wda n HIS 440 Cb 1.07 -0.22 0.30 0.00 1.12 0.00 0.00 29.99 32.25 2wda n HIS 440 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wda n THR 441 N 0.46 1.00 -0.77 1.59 -2.24 -0.63 -1.26 114.28 112.44 2wda n THR 441 Ca 0.21 0.25 0.08 0.00 -2.27 0.00 0.00 64.05 62.32 2wda n THR 441 Cb 0.79 -1.02 0.19 0.00 -2.10 0.00 0.00 70.33 68.19 2wda n THR 441 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wda n GLY 442 N -0.12 3.89 2.43 3.38 0.00 -1.03 -4.45 105.19 109.29 2wda n GLY 442 Ca 0.04 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 2wda n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda n ALA 443 N -0.51 6.16 -2.42 4.61 0.00 -0.39 -3.09 120.51 124.87 2wda n ALA 443 Ca 0.16 -3.08 -0.03 0.00 0.00 0.00 0.00 53.44 50.49 2wda n ALA 443 Cb 0.69 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 18.29 2wda n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wda n GLY 444 N 0.05 0.55 3.66 0.00 0.00 -1.01 -3.35 105.19 105.10 2wda n GLY 444 Ca 0.49 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2wda n GLY 444 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wda s MET 445 N -4.68 4.29 -0.38 1.61 0.00 -0.49 -3.18 119.30 116.47 2wda s MET 445 Ca 0.04 1.29 -0.08 0.00 0.00 0.00 0.00 55.69 56.94 2wda s MET 445 Cb -0.02 -3.61 0.06 0.00 0.00 0.00 0.00 34.83 31.26 2wda s MET 445 CO 0.10 -0.52 0.19 -1.17 0.00 0.00 0.00 175.02 173.61 2wda s LEU 446 N 2.82 4.80 0.11 4.11 2.96 -0.16 -0.00 118.68 133.31 2wda s LEU 446 Ca 0.43 -1.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.00 2wda s LEU 446 Cb -0.16 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2wda s LEU 446 CO 0.09 -0.44 0.13 0.42 -1.32 0.00 0.00 176.35 175.23 2wda s THR 447 N 1.40 4.70 0.14 3.68 -4.23 0.77 -4.56 115.64 117.54 2wda s THR 447 Ca 0.01 -0.80 -0.24 0.00 -1.18 0.00 0.00 61.69 59.49 2wda s THR 447 Cb -0.21 -3.32 0.07 0.00 1.34 0.00 0.00 72.50 70.37 2wda s THR 447 CO 0.02 0.04 0.62 -1.66 -0.54 0.00 0.00 174.62 173.10 2wda s TRP 448 N -1.54 -0.54 -0.02 3.99 1.48 -1.26 -0.53 118.94 120.51 2wda s TRP 448 Ca 0.31 0.39 0.05 0.00 -1.06 0.00 0.00 56.10 55.79 2wda s TRP 448 Cb -0.12 0.55 -0.01 0.00 -1.16 0.00 0.00 33.47 32.73 2wda s TRP 448 CO 0.24 -0.82 -0.16 -1.58 -4.06 0.00 0.00 176.95 170.57 2wda s TRP 449 N -3.51 1.52 -0.10 1.66 0.51 -0.18 -5.00 118.94 113.84 2wda s TRP 449 Ca 0.00 -0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 53.34 2wda s TRP 449 Cb -0.01 -1.00 -0.02 0.00 -0.81 0.00 0.00 33.47 31.62 2wda s TRP 449 CO -0.11 -0.08 1.23 0.00 -0.51 0.00 0.00 176.95 177.48 2wda s ALA 450 N -0.19 3.57 0.71 0.98 0.00 -1.26 -1.81 121.76 123.76 2wda s ALA 450 Ca 0.02 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 2wda s ALA 450 Cb -0.08 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.50 2wda s ALA 450 CO 0.00 -0.94 1.16 -0.80 0.00 0.00 0.00 175.76 175.18 2wda s ASN 451 N 1.70 4.51 -1.51 0.00 0.01 -0.32 -2.66 114.94 116.67 2wda s ASN 451 Ca 0.55 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 2wda s ASN 451 Cb -0.23 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.86 2wda s ASN 451 CO 0.19 -2.04 0.00 0.61 -1.51 0.00 0.00 177.10 174.35 2wda n GLY 452 N -0.05 1.35 3.38 0.66 0.00 -1.26 -4.91 105.19 104.36 2wda n GLY 452 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2wda n GLY 452 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wda s THR 453 N -2.20 2.07 -0.15 2.61 -4.23 -1.09 -5.09 115.64 107.56 2wda s THR 453 Ca 0.00 -2.05 -0.39 0.00 -1.18 0.00 0.00 61.69 58.08 2wda s THR 453 Cb 0.00 -2.01 -0.16 0.00 1.34 0.00 0.00 72.50 71.67 2wda s THR 453 CO 0.00 -0.29 1.64 -1.14 -0.54 0.00 0.00 174.62 174.29 2wda n ARG 454 N 0.10 1.26 -1.37 3.99 0.63 -1.26 -4.83 116.66 115.18 2wda n ARG 454 Ca -0.11 0.46 -0.23 0.00 -0.92 0.00 0.00 57.85 57.04 2wda n ARG 454 Cb 0.57 -2.15 -0.09 0.00 0.45 0.00 0.00 32.46 31.25 2wda n ARG 454 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wda n ALA 455 N 4.62 6.46 -0.37 5.13 0.00 -1.26 -4.46 120.51 130.63 2wda n ALA 455 Ca 0.24 -2.75 0.08 0.00 0.00 0.00 0.00 53.44 51.00 2wda n ALA 455 Cb 0.16 -2.22 0.23 0.00 0.00 0.00 0.00 19.45 17.63 2wda n ALA 455 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wda n ASP 456 N 1.35 3.52 -0.26 0.00 5.75 -1.26 -4.76 116.55 120.89 2wda n ASP 456 Ca 0.48 -2.16 -0.06 0.00 -0.01 0.00 0.00 54.79 53.04 2wda n ASP 456 Cb 0.64 -0.37 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 2wda n ASP 456 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2wda h GLN 457 N 2.84 -0.13 -0.02 0.11 5.75 -1.94 -1.47 115.11 120.25 2wda h GLN 457 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2wda h GLN 457 Cb 0.96 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.54 2wda h GLN 457 CO 0.05 -0.09 -0.06 0.66 -2.65 0.00 0.00 178.83 176.75 2wda n TYR 458 N -5.42 0.00 -0.01 3.99 4.01 -1.26 -4.19 117.16 114.28 2wda n TYR 458 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 2wda n TYR 458 Cb 0.36 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.24 2wda n TYR 458 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2wda h THR 459 N 3.04 0.79 -1.37 -0.72 2.02 -1.60 -3.38 112.91 111.68 2wda h THR 459 Ca 0.00 -2.58 -0.76 0.00 0.77 0.00 0.00 66.41 63.84 2wda h THR 459 Cb 0.69 2.47 -0.15 0.00 -1.74 0.00 0.00 68.15 69.42 2wda h THR 459 CO 0.00 0.66 2.08 -0.67 0.37 0.00 0.00 175.52 177.96 2wda n ASP 460 N -3.23 5.77 -3.62 4.18 2.03 -0.69 -4.45 116.55 116.53 2wda n ASP 460 Ca -0.22 -3.13 -0.24 0.00 0.52 0.00 0.00 54.79 51.72 2wda n ASP 460 Cb 1.05 -1.45 0.07 0.00 -0.72 0.00 0.00 41.12 40.08 2wda n ASP 460 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2wda n TRP 461 N 3.32 -2.73 0.14 -0.67 7.02 -1.26 -4.88 117.44 118.37 2wda n TRP 461 Ca 0.44 0.99 -0.08 0.00 -1.02 0.00 0.00 57.50 57.84 2wda n TRP 461 Cb 0.34 -4.91 -0.04 0.00 -2.42 0.00 0.00 31.31 24.28 2wda n TRP 461 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 2wda h PHE 462 N -2.54 -0.40 -0.26 -5.99 3.57 -1.78 -3.28 116.94 106.26 2wda h PHE 462 Ca -0.57 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.82 2wda h PHE 462 Cb 1.37 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 2wda h PHE 462 CO 0.50 -0.18 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.67 2wda h TRP 463 N -1.08 0.56 0.00 0.41 4.06 -1.89 0.54 115.95 118.55 2wda h TRP 463 Ca -0.04 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.79 2wda h TRP 463 Cb 0.40 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2wda h TRP 463 CO 0.02 0.70 0.00 -0.35 -3.56 0.00 0.00 178.44 175.25 2wda n PRO 464 N -4.12 0.09 -0.00 0.49 -0.04 -1.26 -3.74 135.00 126.40 2wda n PRO 464 Ca -0.00 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 2wda n PRO 464 Cb 0.40 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 2wda n PRO 464 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wda n THR 465 N -1.78 0.00 -1.87 0.52 -2.24 -0.47 -3.84 114.28 104.60 2wda n THR 465 Ca 0.05 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 2wda n THR 465 Cb 0.30 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.95 2wda n THR 465 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wda s VAL 466 N -2.63 2.22 -0.40 2.28 0.11 0.06 -4.77 120.40 117.27 2wda s VAL 466 Ca -0.02 0.19 -0.27 0.00 -2.93 0.00 0.00 61.98 58.95 2wda s VAL 466 Cb 0.08 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2wda s VAL 466 CO 0.48 0.03 1.99 -0.62 -3.33 0.00 0.00 175.10 173.64 2wda s ASP 467 N -0.58 5.42 0.00 3.54 -1.08 -1.26 -4.86 116.67 117.85 2wda s ASP 467 Ca 0.60 1.15 0.10 0.00 -0.52 0.00 0.00 52.55 53.88 2wda s ASP 467 Cb -0.42 -2.52 0.49 0.00 -1.46 0.00 0.00 42.92 39.01 2wda s ASP 467 CO 0.54 -2.11 1.22 0.79 0.52 0.00 0.00 175.17 176.14 2wda n TRP 468 N 12.06 0.00 1.10 -5.34 7.02 -1.26 -0.76 117.44 130.26 2wda n TRP 468 Ca 0.26 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.86 2wda n TRP 468 Cb 0.49 -0.32 0.26 0.00 -2.42 0.00 0.00 31.31 29.33 2wda n TRP 468 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2wda n TYR 469 N -1.32 0.00 -3.16 -5.99 4.01 -1.26 -4.50 117.16 104.94 2wda n TYR 469 Ca 0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 2wda n TYR 469 Cb 0.09 -0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 2wda n TYR 469 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wda n ARG 470 N -1.07 1.67 -2.92 -0.72 1.74 0.06 -4.91 116.66 110.52 2wda n ARG 470 Ca 0.08 -3.88 -0.40 0.00 -0.77 0.00 0.00 57.85 52.89 2wda n ARG 470 Cb 0.35 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 2wda n ARG 470 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wda s LEU 471 N -2.42 4.60 0.20 0.55 1.43 -1.25 -4.75 118.68 117.05 2wda s LEU 471 Ca 0.41 1.72 -0.32 0.00 -1.03 0.00 0.00 54.13 54.91 2wda s LEU 471 Cb 0.27 -3.38 -0.13 0.00 0.03 0.00 0.00 46.19 42.98 2wda s LEU 471 CO -0.09 0.18 1.63 -0.81 0.23 0.00 0.00 176.35 177.49 2wda n PRO 472 N 1.63 2.47 0.00 1.29 -0.04 -1.26 -2.20 135.00 136.89 2wda n PRO 472 Ca -0.04 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 2wda n PRO 472 Cb 0.48 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2wda n PRO 472 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wda n GLY 473 N 3.39 2.15 3.88 0.55 0.00 0.32 -0.99 105.19 114.50 2wda n GLY 473 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2wda n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wda s THR 474 N -2.31 4.80 -0.14 2.61 -4.23 -0.93 -4.66 115.64 110.77 2wda s THR 474 Ca 0.00 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2wda s THR 474 Cb 0.00 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 2wda s THR 474 CO 0.00 -0.75 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.29 2wda s THR 475 N -2.65 2.81 0.02 3.99 2.01 -1.21 -0.22 115.64 120.37 2wda s THR 475 Ca 0.51 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 2wda s THR 475 Cb -0.10 -2.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 2wda s THR 475 CO 0.40 0.52 0.13 0.68 -0.69 0.00 0.00 174.62 175.66 2wda s VAL 476 N 0.61 0.10 0.41 3.82 -7.23 -0.26 -4.95 120.40 112.89 2wda s VAL 476 Ca -0.08 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.01 2wda s VAL 476 Cb -0.16 -0.60 -0.09 0.00 0.56 0.00 0.00 36.38 36.09 2wda s VAL 476 CO 0.03 -0.45 1.27 -0.55 -0.31 0.00 0.00 175.10 175.09 2wda s SER 477 N -1.66 6.34 0.00 4.85 0.15 -1.26 -1.11 113.70 121.00 2wda s SER 477 Ca -0.11 2.58 0.22 0.00 0.70 0.00 0.00 55.95 59.34 2wda s SER 477 Cb -0.05 -2.63 1.31 0.00 -1.71 0.00 0.00 66.02 62.93 2wda s SER 477 CO -0.01 -0.82 1.84 0.35 1.20 0.00 0.00 173.24 175.80 2wda n THR 478 N 0.09 0.01 -1.67 6.45 -2.24 -0.33 -4.88 114.28 111.70 2wda n THR 478 Ca 0.04 -0.02 -0.48 0.00 -2.27 0.00 0.00 64.05 61.33 2wda n THR 478 Cb 0.44 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 2wda n THR 478 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wda n LYS 479 N -0.79 2.07 -1.90 -0.78 4.81 -1.26 -4.91 118.16 115.41 2wda n LYS 479 Ca 0.17 0.75 -0.41 0.00 -0.87 0.00 0.00 58.31 57.95 2wda n LYS 479 Cb 0.09 -2.54 -0.01 0.00 0.02 0.00 0.00 35.03 32.58 2wda n LYS 479 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wda s ARG 480 N 2.26 4.19 0.20 1.64 3.00 -1.26 -5.03 118.95 123.95 2wda s ARG 480 Ca 0.85 2.45 0.11 0.00 0.00 0.00 0.00 55.73 59.15 2wda s ARG 480 Cb -0.71 -3.03 -0.04 0.00 0.00 0.00 0.00 34.95 31.16 2wda s ARG 480 CO 0.45 -0.48 -0.23 -0.51 0.00 0.00 0.00 175.30 174.53 2wda s LEU 481 N -1.16 2.44 0.35 2.53 1.43 -1.26 -5.12 118.68 117.90 2wda s LEU 481 Ca 0.57 -0.88 -0.25 0.00 -1.03 0.00 0.00 54.13 52.54 2wda s LEU 481 Cb -0.45 -1.13 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 2wda s LEU 481 CO 0.52 0.10 1.00 0.00 0.23 0.00 0.00 176.35 178.20 2wda s ALA 482 N -1.76 3.17 0.16 4.21 0.00 -1.26 -4.97 121.76 121.31 2wda s ALA 482 Ca 0.21 0.61 -0.34 0.00 0.00 0.00 0.00 51.96 52.44 2wda s ALA 482 Cb -0.08 -3.23 -0.16 0.00 0.00 0.00 0.00 23.12 19.66 2wda s ALA 482 CO 0.10 0.00 1.25 -0.25 0.00 0.00 0.00 175.76 176.86 2wda n ASP 483 N 0.31 1.66 -0.29 0.00 9.92 -1.26 -1.65 116.55 125.23 2wda n ASP 483 Ca 0.03 1.13 -0.04 0.00 -0.53 0.00 0.00 54.79 55.39 2wda n ASP 483 Cb 0.50 -1.24 -0.02 0.00 -0.64 0.00 0.00 41.12 39.72 2wda n ASP 483 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wda n ARG 484 N 2.06 -0.90 -1.67 -1.24 1.74 -0.19 -4.98 116.66 111.47 2wda n ARG 484 Ca 0.16 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 2wda n ARG 484 Cb 0.24 -4.30 -0.00 0.00 -1.02 0.00 0.00 32.46 27.38 2wda n ARG 484 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wda n ALA 485 N 1.07 0.87 0.00 7.54 0.00 -0.66 -0.81 120.51 128.53 2wda n ALA 485 Ca -0.04 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2wda n ALA 485 Cb 0.29 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2wda n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wda n GLY 486 N 0.91 2.70 0.00 0.00 0.00 -1.26 -4.95 105.19 102.60 2wda n GLY 486 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wda n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wda n GLY 487 N -2.00 1.71 3.98 -0.02 0.00 0.01 -3.40 105.19 105.47 2wda n GLY 487 Ca 0.00 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 2wda n GLY 487 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wda s GLU 488 N -2.37 2.65 -1.68 1.61 2.02 -1.26 -4.26 118.70 115.42 2wda s GLU 488 Ca 0.00 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 2wda s GLU 488 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2wda s GLU 488 CO 0.00 -0.57 0.24 0.91 0.02 0.00 0.00 175.26 175.85 2wda n TRP 489 N -2.21 -1.36 -0.82 1.61 7.02 -0.55 -1.84 117.44 119.29 2wda n TRP 489 Ca 0.07 0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.76 2wda n TRP 489 Cb 0.59 -4.15 0.00 0.00 -2.42 0.00 0.00 31.31 25.33 2wda n TRP 489 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wda n GLY 490 N -1.22 0.51 0.28 6.99 0.00 -1.25 -4.86 105.19 105.64 2wda n GLY 490 Ca -0.19 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2wda n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda h ALA 491 N 0.00 0.81 -2.46 4.61 0.00 -1.54 -3.42 119.26 117.26 2wda h ALA 491 Ca 0.00 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.12 2wda h ALA 491 Cb 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 2wda h ALA 491 CO 0.00 0.48 0.28 -1.25 0.00 0.00 0.00 179.25 178.76 2wda s PRO 492 N -5.41 4.24 -0.02 0.00 0.04 -1.22 -5.01 135.00 127.63 2wda s PRO 492 Ca -0.13 0.82 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2wda s PRO 492 Cb 0.13 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2wda s PRO 492 CO 0.81 -0.32 -0.16 0.15 0.04 0.00 0.00 177.00 177.52 2wda s LYS 493 N 2.15 1.38 0.49 4.56 1.02 -1.26 -1.48 119.74 126.60 2wda s LYS 493 Ca 0.33 -0.59 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 2wda s LYS 493 Cb -0.16 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.76 2wda s LYS 493 CO 0.11 0.34 1.14 -1.25 -0.92 0.00 0.00 175.35 174.77 2wda s PRO 494 N -0.32 3.62 -1.33 -1.68 0.04 -1.24 -4.92 135.00 129.17 2wda s PRO 494 Ca 0.05 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 2wda s PRO 494 Cb -0.07 -2.25 0.11 0.00 0.04 0.00 0.00 34.50 32.33 2wda s PRO 494 CO -0.00 -0.64 1.88 -3.47 0.04 0.00 0.00 177.00 174.81 2wda n ASP 495 N -0.80 4.70 -3.97 6.66 2.03 -1.26 -2.81 116.55 121.10 2wda n ASP 495 Ca 0.09 -2.96 -0.09 0.00 0.52 0.00 0.00 54.79 52.35 2wda n ASP 495 Cb 0.49 -1.61 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 2wda n ASP 495 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wda s VAL 496 N 2.24 0.15 -0.12 5.18 -7.23 -1.26 -5.00 120.40 114.35 2wda s VAL 496 Ca 0.45 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 2wda s VAL 496 Cb 0.08 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 2wda s VAL 496 CO -0.01 -0.68 -0.10 0.54 -0.31 0.00 0.00 175.10 174.54 2wda n ARG 497 N 0.67 0.47 -2.71 4.82 1.74 -1.26 -2.31 116.66 118.07 2wda n ARG 497 Ca -0.18 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 2wda n ARG 497 Cb 0.59 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.75 2wda n ARG 497 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2wda s TRP 498 N -2.25 2.76 -0.10 -1.55 -0.00 -1.26 -4.21 118.94 112.32 2wda s TRP 498 Ca -0.16 -1.03 -0.04 0.00 -0.00 0.00 0.00 56.10 54.87 2wda s TRP 498 Cb 0.04 -4.53 0.05 0.00 -0.00 0.00 0.00 33.47 29.04 2wda s TRP 498 CO 0.30 -1.76 0.19 0.08 -0.00 0.00 0.00 176.95 175.76 2wda s VAL 499 N 4.09 -0.31 -5.00 5.86 1.01 -1.26 -1.44 120.40 123.34 2wda s VAL 499 Ca 0.40 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2wda s VAL 499 Cb -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2wda s VAL 499 CO -0.09 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2wda n GLY 500 N 5.33 -0.39 0.00 4.51 0.00 -0.81 -4.85 105.19 108.98 2wda n GLY 500 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2wda n GLY 500 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wda n GLY 501 N 0.00 -1.22 2.95 -0.02 0.00 -1.26 -0.22 105.19 105.42 2wda n GLY 501 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2wda n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda s ALA 502 N -1.00 -0.01 -0.00 4.61 0.00 0.71 -4.70 121.76 121.37 2wda s ALA 502 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 2wda s ALA 502 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2wda s ALA 502 CO 0.00 -0.09 0.11 -0.08 0.00 0.00 0.00 175.76 175.70 2wda s THR 503 N -0.70 0.08 -2.49 0.00 -1.32 -1.26 -1.10 115.64 108.84 2wda s THR 503 Ca -0.08 -0.64 0.23 0.00 -1.21 0.00 0.00 61.69 60.00 2wda s THR 503 Cb -0.05 -0.38 0.42 0.00 -1.51 0.00 0.00 72.50 70.98 2wda s THR 503 CO -0.00 -0.35 1.41 -0.90 -2.21 0.00 0.00 174.62 172.57 2wda n ASP 504 N 1.67 3.26 0.00 8.08 5.75 -0.98 -4.93 116.55 129.39 2wda n ASP 504 Ca -0.22 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2wda n ASP 504 Cb 0.56 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 2wda n ASP 504 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wda n GLY 505 N 1.46 0.24 1.42 6.12 0.00 -1.26 -4.83 105.19 108.36 2wda n GLY 505 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wda n GLY 505 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wda n GLU 506 N -1.79 0.00 -3.96 1.61 2.13 -1.26 -0.43 120.64 116.95 2wda n GLU 506 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2wda n GLU 506 Cb 0.00 -0.29 -0.06 0.00 0.27 0.00 0.00 31.44 31.36 2wda n GLU 506 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wda s TYR 507 N -2.00 2.65 -0.04 4.31 2.02 -1.26 -4.05 117.35 118.98 2wda s TYR 507 Ca 0.00 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 55.91 2wda s TYR 507 Cb 0.00 -1.98 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 2wda s TYR 507 CO 0.00 0.12 0.56 0.00 -1.57 0.00 0.00 175.55 174.66 2wda s ALA 508 N -2.54 -1.46 -0.23 3.71 0.00 -1.09 -2.32 121.76 117.83 2wda s ALA 508 Ca 0.43 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2wda s ALA 508 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2wda s ALA 508 CO 0.24 -0.33 0.06 0.00 0.00 0.00 0.00 175.76 175.73 2wda s ALA 509 N -1.21 3.19 -0.01 0.00 0.00 -0.26 -1.23 121.76 122.25 2wda s ALA 509 Ca -0.12 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.85 2wda s ALA 509 Cb -0.02 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2wda s ALA 509 CO 0.08 -0.34 -0.19 0.08 0.00 0.00 0.00 175.76 175.39 2wda s VAL 510 N 1.35 1.50 0.01 0.00 1.01 -0.10 -0.21 120.40 123.97 2wda s VAL 510 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2wda s VAL 510 Cb -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2wda s VAL 510 CO 0.03 0.41 -0.04 -0.83 0.00 0.00 0.00 175.10 174.68 2wda s GLY 511 N -0.48 0.23 -0.12 4.51 0.00 0.69 -0.50 107.32 111.66 2wda s GLY 511 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2wda s GLY 511 CO -0.01 -0.38 -0.06 1.62 0.00 0.00 0.00 173.10 174.28 2wda s GLN 512 N -0.71 1.35 -0.47 2.90 0.74 0.65 -1.93 119.66 122.19 2wda s GLN 512 Ca -0.05 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.80 2wda s GLN 512 Cb -0.05 -1.62 0.01 0.00 1.10 0.00 0.00 33.01 32.46 2wda s GLN 512 CO -0.00 -0.32 1.36 -1.58 -0.55 0.00 0.00 175.29 174.20 2wda s HIS 513 N 1.73 2.44 -0.10 1.67 5.65 -0.52 -1.56 115.29 124.60 2wda s HIS 513 Ca 0.04 0.61 -0.14 0.00 0.25 0.00 0.00 55.06 55.82 2wda s HIS 513 Cb -0.13 -4.37 -0.05 0.00 -1.18 0.00 0.00 32.58 26.85 2wda s HIS 513 CO -0.08 -1.85 0.33 -1.17 -0.65 0.00 0.00 174.74 171.33 2wda s LEU 514 N 5.45 4.34 -0.12 8.88 2.96 0.65 -4.88 118.68 135.96 2wda s LEU 514 Ca 0.56 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 2wda s LEU 514 Cb -0.11 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.15 2wda s LEU 514 CO 0.30 0.20 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.82 2wda s LYS 515 N -0.19 2.48 0.51 1.98 1.02 -1.26 -1.60 119.74 122.68 2wda s LYS 515 Ca 0.20 -0.65 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 2wda s LYS 515 Cb -0.14 -2.08 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 2wda s LYS 515 CO 0.08 -0.07 1.06 0.20 -0.92 0.00 0.00 175.35 175.70 2wda s GLY 516 N 0.98 2.47 0.06 -3.33 0.00 -0.47 -4.77 107.32 102.27 2wda s GLY 516 Ca -0.05 0.62 -0.31 0.00 0.00 0.00 0.00 44.72 44.97 2wda s GLY 516 CO -0.03 0.94 1.23 -2.27 0.00 0.00 0.00 173.10 172.97 2wda s LEU 517 N -3.69 4.36 -1.10 0.66 0.20 -1.26 -2.99 118.68 114.85 2wda s LEU 517 Ca 0.68 2.05 0.00 0.00 0.69 0.00 0.00 54.13 57.54 2wda s LEU 517 Cb -0.18 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2wda s LEU 517 CO 0.24 -0.51 0.00 0.61 -0.29 0.00 0.00 176.35 176.40 2wda n GLY 518 N 3.28 0.95 3.25 7.98 0.00 -1.26 -4.96 105.19 114.43 2wda n GLY 518 Ca 0.10 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 2wda n GLY 518 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wda s SER 519 N -2.81 0.07 0.00 1.61 0.15 -1.16 -5.04 113.70 106.52 2wda s SER 519 Ca 0.00 -0.69 0.26 0.00 0.70 0.00 0.00 55.95 56.22 2wda s SER 519 Cb 0.00 0.38 0.72 0.00 -1.71 0.00 0.00 66.02 65.40 2wda s SER 519 CO 0.00 -0.79 1.55 0.35 1.20 0.00 0.00 173.24 175.56 2wda n THR 520 N -0.12 0.00 -1.60 6.45 -2.24 -1.26 -4.52 114.28 110.99 2wda n THR 520 Ca -0.13 -0.30 -0.49 0.00 -2.27 0.00 0.00 64.05 60.86 2wda n THR 520 Cb 0.63 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 2wda n THR 520 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wda n LEU 521 N 0.33 1.87 -4.07 3.22 7.94 -1.26 -4.60 117.00 120.44 2wda n LEU 521 Ca 0.16 1.13 -0.15 0.00 -1.11 0.00 0.00 56.01 56.04 2wda n LEU 521 Cb 0.42 -1.25 -0.12 0.00 0.53 0.00 0.00 43.42 43.00 2wda n LEU 521 CO 0.18 -1.05 -0.42 -0.70 -1.11 0.00 0.00 177.39 174.30 2wda s GLU 522 N -0.00 0.60 0.08 1.96 2.12 0.17 -1.37 118.70 122.25 2wda s GLU 522 Ca 0.77 -0.67 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 2wda s GLU 522 Cb -0.85 -0.47 0.08 0.00 0.26 0.00 0.00 34.13 33.16 2wda s GLU 522 CO 0.49 0.10 0.70 0.00 -0.54 0.00 0.00 175.26 176.02 2wda s ALA 523 N -1.05 -1.69 -0.23 6.30 0.00 -0.63 -1.63 121.76 122.83 2wda s ALA 523 Ca -0.05 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 2wda s ALA 523 Cb -0.08 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 2wda s ALA 523 CO 0.01 -0.68 -0.04 1.03 0.00 0.00 0.00 175.76 176.07 2wda s ARG 524 N -3.18 3.29 -0.09 0.00 1.81 0.34 -0.25 118.95 120.88 2wda s ARG 524 Ca 0.01 -0.68 0.04 0.00 -1.72 0.00 0.00 55.73 53.38 2wda s ARG 524 Cb -0.01 -3.01 -0.01 0.00 -0.45 0.00 0.00 34.95 31.47 2wda s ARG 524 CO -0.09 -0.23 -0.21 0.15 -0.68 0.00 0.00 175.30 174.24 2wda s LYS 525 N 1.46 2.88 0.15 3.54 1.02 -0.60 -0.92 119.74 127.26 2wda s LYS 525 Ca 0.05 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.26 2wda s LYS 525 Cb -0.15 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2wda s LYS 525 CO -0.04 0.30 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.46 2wda s SER 526 N 0.06 2.00 -0.05 2.83 0.01 0.99 -0.26 113.70 119.28 2wda s SER 526 Ca -0.09 -0.95 -0.02 0.00 1.31 0.00 0.00 55.95 56.19 2wda s SER 526 Cb -0.15 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2wda s SER 526 CO 0.06 -0.24 0.11 0.26 0.41 0.00 0.00 173.24 173.83 2wda s TRP 527 N -2.90 -0.11 -0.27 2.43 0.51 0.35 -1.85 118.94 117.10 2wda s TRP 527 Ca 0.15 0.36 0.02 0.00 -2.12 0.00 0.00 56.10 54.52 2wda s TRP 527 Cb -0.00 -0.09 0.06 0.00 -0.81 0.00 0.00 33.47 32.63 2wda s TRP 527 CO 0.03 -0.13 -0.09 -0.06 -0.51 0.00 0.00 176.95 176.19 2wda s PHE 528 N 0.89 3.29 -0.48 -1.98 0.08 -0.28 -0.92 117.98 118.58 2wda s PHE 528 Ca -0.07 -2.30 -0.24 0.00 0.12 0.00 0.00 56.93 54.44 2wda s PHE 528 Cb -0.09 -2.00 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2wda s PHE 528 CO -0.04 -0.87 0.86 -0.06 -0.10 0.00 0.00 175.22 175.01 2wda s PHE 529 N 1.11 2.93 0.00 0.36 0.08 -0.36 -0.49 117.98 121.61 2wda s PHE 529 Ca -0.08 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.15 2wda s PHE 529 Cb -0.20 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 2wda s PHE 529 CO -0.05 -1.10 0.00 1.28 -0.10 0.00 0.00 175.22 175.25 2wda n LEU 530 N 7.01 0.00 0.09 -0.37 4.77 -0.44 -2.68 117.00 125.37 2wda n LEU 530 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 2wda n LEU 530 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2wda n LEU 530 CO 0.61 -0.03 0.27 -2.24 -1.33 0.00 0.00 177.39 174.67 2wda h ASP 531 N 0.00 0.01 0.00 -1.43 2.03 -1.96 -3.36 116.42 111.71 2wda h ASP 531 Ca 0.00 -0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 2wda h ASP 531 Cb 0.00 -0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.41 2wda h ASP 531 CO 0.00 0.87 -0.53 -0.90 -1.03 0.00 0.00 179.24 177.65 2wda n ASP 532 N -3.51 0.16 -3.66 4.15 5.68 -1.26 -4.66 116.55 113.44 2wda n ASP 532 Ca -0.00 -1.85 -0.10 0.00 -0.50 0.00 0.00 54.79 52.34 2wda n ASP 532 Cb 0.82 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.62 2wda n ASP 532 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wda s ALA 533 N 0.00 -1.24 -0.14 2.12 0.00 -1.26 -4.55 121.76 116.68 2wda s ALA 533 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2wda s ALA 533 Cb 0.08 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.10 2wda s ALA 533 CO -0.04 -0.86 -0.11 0.08 0.00 0.00 0.00 175.76 174.83 2wda s VAL 534 N -3.84 1.38 -0.13 0.00 1.01 -0.10 -1.33 120.40 117.39 2wda s VAL 534 Ca 0.07 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 2wda s VAL 534 Cb -0.02 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2wda s VAL 534 CO -0.04 0.38 0.74 -0.69 0.00 0.00 0.00 175.10 175.49 2wda s VAL 535 N 1.56 4.98 -0.23 2.92 1.01 0.36 -1.26 120.40 129.73 2wda s VAL 535 Ca 0.04 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 2wda s VAL 535 Cb -0.13 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2wda s VAL 535 CO -0.10 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.07 2wda s LEU 537 N 1.34 3.24 -0.02 0.00 1.02 -0.77 -1.01 118.68 122.47 2wda s LEU 537 Ca 0.01 -0.07 0.04 0.00 0.02 0.00 0.00 54.13 54.14 2wda s LEU 537 Cb -0.16 -1.75 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 2wda s LEU 537 CO -0.06 0.26 -0.15 -0.83 0.02 0.00 0.00 176.35 175.60 2wda s GLY 538 N -0.18 0.75 0.21 -3.19 0.00 -0.13 -0.01 107.32 104.76 2wda s GLY 538 Ca 0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.98 2wda s GLY 538 CO 0.02 -0.41 0.52 0.00 0.00 0.00 0.00 173.10 173.24 2wda s ALA 539 N -0.15 -0.83 -1.66 3.20 0.00 -0.10 -1.05 121.76 121.16 2wda s ALA 539 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 2wda s ALA 539 Cb -0.08 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2wda s ALA 539 CO 0.00 -0.82 0.31 0.41 0.00 0.00 0.00 175.76 175.67 2wda n GLY 540 N -0.35 -0.51 3.58 0.00 0.00 -1.05 -0.50 105.19 106.35 2wda n GLY 540 Ca -0.08 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wda n GLY 540 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wda s ILE 541 N -3.11 3.94 0.01 -0.61 1.01 -0.24 -3.93 121.20 118.28 2wda s ILE 541 Ca 0.16 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.70 2wda s ILE 541 Cb -0.07 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.79 2wda s ILE 541 CO 0.20 -1.23 -0.13 0.42 0.00 0.00 0.00 174.94 174.19 2wda s THR 542 N 5.32 1.03 -0.02 2.92 -4.23 -0.65 -1.45 115.64 118.56 2wda s THR 542 Ca 0.48 -0.77 -0.24 0.00 -1.18 0.00 0.00 61.69 59.98 2wda s THR 542 Cb -0.09 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.90 2wda s THR 542 CO 0.26 0.13 0.52 0.00 -0.54 0.00 0.00 174.62 174.99 2wda n ALA 544 N 0.97 2.95 1.13 0.00 0.00 -1.26 -3.85 120.51 120.43 2wda n ALA 544 Ca -0.20 -2.75 0.14 0.00 0.00 0.00 0.00 53.44 50.64 2wda n ALA 544 Cb 0.57 -0.53 0.66 0.00 0.00 0.00 0.00 19.45 20.15 2wda n ALA 544 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wda n ASP 545 N -0.36 0.00 -0.29 0.00 8.00 -1.26 -4.90 116.55 117.74 2wda n ASP 545 Ca 0.12 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.89 2wda n ASP 545 Cb 0.89 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 2wda n ASP 545 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wda n GLY 546 N 1.43 0.67 3.25 0.44 0.00 -1.26 -5.03 105.19 104.70 2wda n GLY 546 Ca 0.09 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 2wda n GLY 546 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wda s VAL 547 N -2.12 0.01 0.58 1.61 -7.23 -1.26 -4.93 120.40 107.06 2wda s VAL 547 Ca 0.00 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 2wda s VAL 547 Cb 0.00 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2wda s VAL 547 CO 0.00 -0.03 1.13 -2.84 -0.31 0.00 0.00 175.10 173.05 2wda s PRO 548 N -4.13 3.15 -0.06 4.82 0.02 -1.26 -3.47 135.00 134.07 2wda s PRO 548 Ca 0.36 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.97 2wda s PRO 548 Cb 0.06 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 2wda s PRO 548 CO 0.11 -1.01 -0.10 0.08 -0.33 0.00 0.00 177.00 175.75 2wda s VAL 549 N -1.92 3.41 0.03 3.83 1.01 -0.94 -1.19 120.40 124.63 2wda s VAL 549 Ca 0.72 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2wda s VAL 549 Cb -0.24 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2wda s VAL 549 CO 0.32 0.59 -0.13 -1.61 0.00 0.00 0.00 175.10 174.27 2wda s GLU 550 N -0.76 0.88 -0.15 2.72 2.02 -0.27 -0.55 118.70 122.59 2wda s GLU 550 Ca 0.12 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 2wda s GLU 550 Cb -0.11 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.24 2wda s GLU 550 CO 0.01 0.21 -0.08 0.99 0.02 0.00 0.00 175.26 176.41 2wda s THR 551 N -0.83 3.45 -0.59 3.63 2.01 -0.34 -1.11 115.64 121.87 2wda s THR 551 Ca 0.01 -0.52 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 2wda s THR 551 Cb -0.08 -2.49 0.07 0.00 0.01 0.00 0.00 72.50 70.02 2wda s THR 551 CO 0.01 0.50 0.82 -0.69 -0.69 0.00 0.00 174.62 174.57 2wda s VAL 552 N 0.42 4.59 0.14 3.82 1.01 0.69 -0.66 120.40 130.40 2wda s VAL 552 Ca -0.07 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 2wda s VAL 552 Cb -0.15 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.71 2wda s VAL 552 CO 0.04 -1.16 1.72 0.58 0.00 0.00 0.00 175.10 176.28 2wda h VAL 553 N 5.94 1.17 -2.62 2.92 2.07 -1.12 0.93 116.25 125.55 2wda h VAL 553 Ca -0.28 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 66.86 2wda h VAL 553 Cb 1.08 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 2wda h VAL 553 CO 1.09 0.18 0.37 -0.62 0.02 0.00 0.00 177.57 178.62 2wda s ASP 554 N -5.77 -0.28 -0.20 0.57 -1.08 -0.83 -4.40 116.67 104.68 2wda s ASP 554 Ca -0.13 -0.36 -0.04 0.00 -0.52 0.00 0.00 52.55 51.50 2wda s ASP 554 Cb 0.10 0.56 0.10 0.00 -1.46 0.00 0.00 42.92 42.23 2wda s ASP 554 CO 0.74 -1.01 0.31 0.21 0.52 0.00 0.00 175.17 175.95 2wda s ASN 555 N -2.84 0.53 -0.05 -0.34 2.47 -1.26 -0.29 114.94 113.16 2wda s ASN 555 Ca 0.09 0.27 0.05 0.00 0.42 0.00 0.00 52.86 53.69 2wda s ASN 555 Cb -0.03 0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 40.61 2wda s ASN 555 CO 0.00 -0.29 -0.20 -0.13 -3.72 0.00 0.00 177.10 172.76 2wda s ARG 556 N 2.46 2.09 -0.00 0.43 1.81 0.06 -4.70 118.95 121.10 2wda s ARG 556 Ca 0.07 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 53.06 2wda s ARG 556 Cb -0.14 -1.79 -0.03 0.00 -0.45 0.00 0.00 34.95 32.53 2wda s ARG 556 CO -0.13 0.29 1.06 1.21 -0.68 0.00 0.00 175.30 177.06 2wda s ASN 557 N -0.03 7.25 0.00 0.23 2.47 -1.26 -0.91 114.94 122.69 2wda s ASN 557 Ca -0.04 1.75 0.22 0.00 0.42 0.00 0.00 52.86 55.20 2wda s ASN 557 Cb -0.12 -2.57 0.01 0.00 -1.45 0.00 0.00 41.25 37.11 2wda s ASN 557 CO 0.03 -0.37 1.07 0.18 -3.72 0.00 0.00 177.10 174.29 2wda n LEU 558 N 4.18 2.07 0.00 3.21 4.77 0.70 -4.95 117.00 126.98 2wda n LEU 558 Ca 0.08 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2wda n LEU 558 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wda n LEU 558 CO 0.53 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2wda n GLY 559 N 1.37 -0.65 3.69 -0.72 0.00 -1.24 -4.16 105.19 103.48 2wda n GLY 559 Ca 0.09 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2wda n GLY 559 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wda s GLU 560 N -1.52 4.22 -1.67 1.61 2.12 -1.26 -1.23 118.70 120.98 2wda s GLU 560 Ca 0.00 2.20 0.00 0.00 0.36 0.00 0.00 54.97 57.53 2wda s GLU 560 Cb 0.00 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.78 2wda s GLU 560 CO 0.00 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 2wda n GLY 561 N 3.88 0.38 3.72 -1.50 0.00 -1.26 -4.91 105.19 105.49 2wda n GLY 561 Ca 0.15 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wda n GLY 561 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wda n GLY 562 N -0.93 0.70 0.21 -0.02 0.00 -1.20 -4.94 105.19 99.01 2wda n GLY 562 Ca -0.20 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2wda n GLY 562 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wda n THR 563 N 0.18 1.33 -1.65 2.61 -2.24 -1.26 -5.03 114.28 108.21 2wda n THR 563 Ca 0.05 -1.61 -0.48 0.00 -2.27 0.00 0.00 64.05 59.74 2wda n THR 563 Cb 0.38 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 2wda n THR 563 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wda n GLN 564 N -1.00 1.87 -2.61 -0.78 3.00 -1.26 -4.92 117.38 111.68 2wda n GLN 564 Ca 0.11 0.68 -0.40 0.00 -0.01 0.00 0.00 57.00 57.37 2wda n GLN 564 Cb 0.66 -2.41 -0.05 0.00 0.00 0.00 0.00 30.24 28.44 2wda n GLN 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wda s ALA 565 N 1.02 3.35 -0.30 -1.58 0.00 -1.26 -4.76 121.76 118.22 2wda s ALA 565 Ca 0.81 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 2wda s ALA 565 Cb -0.76 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 2wda s ALA 565 CO 0.41 -0.04 0.20 -1.17 0.00 0.00 0.00 175.76 175.16 2wda s LEU 566 N -0.87 4.17 -0.09 0.00 2.96 -1.26 -1.19 118.68 122.39 2wda s LEU 566 Ca 0.45 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2wda s LEU 566 Cb -0.28 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 2wda s LEU 566 CO 0.35 -0.12 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.52 2wda s VAL 567 N 1.73 3.84 0.04 1.68 1.01 0.15 -4.96 120.40 123.89 2wda s VAL 567 Ca 0.06 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2wda s VAL 567 Cb -0.16 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2wda s VAL 567 CO 0.10 0.58 -0.26 -0.13 0.00 0.00 0.00 175.10 175.39 2wda s ARG 568 N -0.57 1.81 0.09 2.72 0.52 -1.26 -0.73 118.95 121.53 2wda s ARG 568 Ca 0.09 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 2wda s ARG 568 Cb -0.12 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.38 2wda s ARG 568 CO 0.02 0.51 0.03 0.41 0.02 0.00 0.00 175.30 176.29 2wda n GLY 569 N 1.81 3.95 0.28 -3.53 0.00 -0.52 -5.01 105.19 102.17 2wda n GLY 569 Ca -0.17 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 43.86 2wda n GLY 569 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wda h ARG 570 N 0.00 0.63 -0.13 1.61 2.43 -1.97 -3.30 114.38 113.66 2wda h ARG 570 Ca -0.07 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.87 2wda h ARG 570 Cb 0.25 -0.14 -0.39 0.00 -0.42 0.00 0.00 29.97 29.27 2wda h ARG 570 CO 0.11 0.42 -1.05 1.58 -1.51 0.00 0.00 179.97 179.52 2wda n HIS 571 N -4.83 0.39 -3.63 2.20 -0.00 -1.26 -1.50 115.22 106.59 2wda n HIS 571 Ca 0.11 -1.01 -0.09 0.00 -0.00 0.00 0.00 57.72 56.73 2wda n HIS 571 Cb 0.27 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.99 30.06 2wda n HIS 571 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 2wda s TRP 572 N -1.20 -0.36 0.00 1.57 1.48 -1.21 -2.03 118.94 117.20 2wda s TRP 572 Ca 0.32 0.05 -0.03 0.00 -1.06 0.00 0.00 56.10 55.38 2wda s TRP 572 Cb 0.37 0.63 -0.01 0.00 -1.16 0.00 0.00 33.47 33.30 2wda s TRP 572 CO -0.13 -0.99 0.05 0.00 -4.06 0.00 0.00 176.95 171.82 2wda s ALA 573 N -3.76 -0.11 -0.01 2.67 0.00 -0.32 -1.44 121.76 118.78 2wda s ALA 573 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2wda s ALA 573 Cb -0.03 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2wda s ALA 573 CO -0.04 -0.15 -0.04 -1.58 0.00 0.00 0.00 175.76 173.95 2wda s HIS 574 N -1.12 0.46 -0.23 0.00 5.04 0.09 -1.25 115.29 118.28 2wda s HIS 574 Ca -0.12 -0.09 -0.03 0.00 -1.54 0.00 0.00 55.06 53.29 2wda s HIS 574 Cb -0.07 -0.36 0.01 0.00 0.04 0.00 0.00 32.58 32.20 2wda s HIS 574 CO 0.00 -0.05 -0.06 -1.17 -2.34 0.00 0.00 174.74 171.11 2wda s LEU 575 N 0.22 2.94 0.21 8.88 2.96 0.81 -0.68 118.68 134.02 2wda s LEU 575 Ca -0.02 -0.61 -0.32 0.00 -0.22 0.00 0.00 54.13 52.95 2wda s LEU 575 Cb -0.06 -1.68 -0.12 0.00 0.50 0.00 0.00 46.19 44.83 2wda s LEU 575 CO -0.00 -0.06 1.71 1.21 -1.32 0.00 0.00 176.35 177.88 2wda n GLU 576 N 4.73 2.74 0.00 1.98 2.13 -0.34 -1.28 120.64 130.60 2wda n GLU 576 Ca -0.18 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2wda n GLU 576 Cb 0.49 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.38 2wda n GLU 576 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wda n GLY 577 N 3.85 2.04 0.96 8.31 0.00 -1.26 -4.66 105.19 114.42 2wda n GLY 577 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wda n GLY 577 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wda n HIS 578 N -2.00 0.00 -2.76 1.61 8.25 -0.41 -4.91 115.22 115.01 2wda n HIS 578 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wda n HIS 578 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2wda n HIS 578 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wda n GLY 579 N 3.36 -0.21 1.45 -1.41 0.00 -0.74 -1.30 105.19 106.34 2wda n GLY 579 Ca -0.01 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 2wda n GLY 579 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wda n GLY 580 N 0.00 2.19 2.85 -0.02 0.00 -0.76 -0.13 105.19 109.32 2wda n GLY 580 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 2wda n GLY 580 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wda s TRP 581 N -5.13 0.18 -0.28 1.61 0.51 -0.38 0.24 118.94 115.68 2wda s TRP 581 Ca 0.09 0.01 -0.13 0.00 -2.12 0.00 0.00 56.10 53.95 2wda s TRP 581 Cb -0.01 -0.21 -0.04 0.00 -0.81 0.00 0.00 33.47 32.39 2wda s TRP 581 CO 0.07 -0.05 0.27 0.42 -0.51 0.00 0.00 176.95 177.14 2wda s ILE 582 N 0.45 5.25 -0.27 2.03 1.01 0.18 -1.18 121.20 128.68 2wda s ILE 582 Ca -0.04 0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.65 2wda s ILE 582 Cb -0.07 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.89 2wda s ILE 582 CO -0.01 0.19 0.87 0.54 0.00 0.00 0.00 174.94 176.53 2wda s VAL 583 N 1.89 0.00 -0.22 2.92 0.11 -0.86 -1.46 120.40 122.77 2wda s VAL 583 Ca 0.10 0.00 -0.37 0.00 -2.93 0.00 0.00 61.98 58.78 2wda s VAL 583 Cb -0.16 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.56 2wda s VAL 583 CO 0.11 0.00 1.88 -2.65 -3.33 0.00 0.00 175.10 171.11 2wda n PRO 584 N 2.38 1.54 0.23 1.54 -0.02 -1.26 -3.29 135.00 136.11 2wda n PRO 584 Ca -0.13 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 2wda n PRO 584 Cb 0.55 -2.38 0.55 0.00 -0.02 0.00 0.00 33.50 32.20 2wda n PRO 584 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wda h GLY 585 N 8.97 0.00 1.59 -1.23 0.00 -1.51 -1.75 103.07 109.16 2wda h GLY 585 Ca -0.44 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 2wda h GLY 585 CO 0.97 0.00 -0.85 -1.33 0.00 0.00 0.00 176.54 175.33 2wda h GLY 586 N 1.08 0.00 1.62 4.60 0.00 -1.87 -3.29 103.07 105.20 2wda h GLY 586 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2wda h GLY 586 CO 0.03 0.00 -0.76 0.00 0.00 0.00 0.00 176.54 175.81 2wda h ALA 587 N 1.50 0.68 -2.49 3.60 0.00 -1.76 -3.47 119.26 117.31 2wda h ALA 587 Ca -0.06 -0.48 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 2wda h ALA 587 Cb 1.44 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.28 2wda h ALA 587 CO 0.06 0.59 0.76 -1.17 0.00 0.00 0.00 179.25 179.48 2wda s LEU 588 N -6.14 4.35 0.01 0.00 2.96 -0.72 -4.57 118.68 114.58 2wda s LEU 588 Ca 0.02 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 2wda s LEU 588 Cb 0.08 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 2wda s LEU 588 CO 0.76 -0.67 0.05 -0.13 -1.32 0.00 0.00 176.35 175.04 2wda s ARG 589 N 1.54 2.92 0.18 1.98 1.81 0.93 -4.95 118.95 123.36 2wda s ARG 589 Ca 0.64 -0.57 0.02 0.00 -1.72 0.00 0.00 55.73 54.11 2wda s ARG 589 Cb -0.35 -2.76 -0.05 0.00 -0.45 0.00 0.00 34.95 31.34 2wda s ARG 589 CO 0.29 0.62 -0.01 0.95 -0.68 0.00 0.00 175.30 176.47 2wda s THR 590 N -1.19 0.81 -0.29 0.02 -4.23 -1.26 -0.59 115.64 108.91 2wda s THR 590 Ca 0.23 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 2wda s THR 590 Cb -0.12 -2.12 0.11 0.00 1.34 0.00 0.00 72.50 71.72 2wda s THR 590 CO 0.14 -0.49 0.78 -0.22 -0.54 0.00 0.00 174.62 174.29 2wda s LEU 591 N -3.20 -0.84 -0.14 4.79 2.96 -0.75 -4.99 118.68 116.52 2wda s LEU 591 Ca 0.24 1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 55.41 2wda s LEU 591 Cb 0.06 2.15 -0.02 0.00 0.50 0.00 0.00 46.19 48.87 2wda s LEU 591 CO 0.04 -0.20 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.19 2wda s ARG 592 N 1.84 3.48 -0.03 1.98 3.52 -1.26 -0.83 118.95 127.65 2wda s ARG 592 Ca -0.08 -0.59 -0.24 0.00 -0.13 0.00 0.00 55.73 54.68 2wda s ARG 592 Cb -0.06 -2.76 0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2wda s ARG 592 CO -0.18 0.26 0.52 -1.83 -0.81 0.00 0.00 175.30 173.26 2wda s GLU 593 N 0.26 0.89 0.09 5.12 -1.05 -0.75 -4.99 118.70 118.28 2wda s GLU 593 Ca -0.06 0.07 -0.27 0.00 -0.15 0.00 0.00 54.97 54.56 2wda s GLU 593 Cb -0.15 0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 33.90 2wda s GLU 593 CO 0.04 -0.27 0.85 -0.51 0.95 0.00 0.00 175.26 176.32 2wda s ASP 594 N -1.25 7.36 -0.04 0.83 1.01 -1.26 -0.76 116.67 122.55 2wda s ASP 594 Ca -0.12 1.62 0.02 0.00 0.71 0.00 0.00 52.55 54.78 2wda s ASP 594 Cb -0.02 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2wda s ASP 594 CO 0.08 0.02 -0.07 -0.13 0.21 0.00 0.00 175.17 175.27 2wda s ARG 595 N -0.23 0.97 -0.06 8.23 0.52 -0.47 -4.99 118.95 122.92 2wda s ARG 595 Ca 0.41 -0.21 0.04 0.00 -0.52 0.00 0.00 55.73 55.45 2wda s ARG 595 Cb -0.22 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.32 2wda s ARG 595 CO 0.26 0.01 -0.17 0.99 0.02 0.00 0.00 175.30 176.41 2wda s THR 596 N 0.59 2.81 0.23 0.02 2.01 -1.26 -0.88 115.64 119.15 2wda s THR 596 Ca -0.09 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 2wda s THR 596 Cb -0.12 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.35 2wda s THR 596 CO 0.01 0.58 0.90 -0.83 -0.69 0.00 0.00 174.62 174.58 2wda s GLY 597 N -0.46 -0.02 0.07 4.40 0.00 -0.14 -4.91 107.32 106.25 2wda s GLY 597 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.59 2wda s GLY 597 CO 0.02 0.42 -0.10 0.00 0.00 0.00 0.00 173.10 173.44 2wda s ALA 598 N -3.02 0.89 0.44 3.20 0.00 -1.25 -1.24 121.76 120.78 2wda s ALA 598 Ca 0.15 -0.98 0.12 0.00 0.00 0.00 0.00 51.96 51.24 2wda s ALA 598 Cb -0.03 0.02 1.01 0.00 0.00 0.00 0.00 23.12 24.12 2wda s ALA 598 CO 0.06 -0.00 2.04 -1.49 0.00 0.00 0.00 175.76 176.36 2wda h TRP 599 N 4.06 0.39 0.00 0.00 4.06 -1.74 -0.98 115.95 121.74 2wda h TRP 599 Ca -0.37 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.58 2wda h TRP 599 Cb 1.19 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 29.22 2wda h TRP 599 CO 0.64 0.22 -0.06 0.66 -3.56 0.00 0.00 178.44 176.34 2wda h SER 600 N 0.39 0.00 -0.01 -3.49 4.64 -1.45 0.17 113.55 113.81 2wda h SER 600 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2wda h SER 600 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2wda h SER 600 CO -0.04 0.06 0.01 0.44 -0.87 0.00 0.00 176.83 176.42 2wda h ASP 601 N 0.00 0.00 0.00 4.97 3.32 -1.47 -3.21 116.42 120.03 2wda h ASP 601 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wda h ASP 601 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2wda h ASP 601 CO 0.01 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.83 2wda n ILE 602 N -3.64 0.56 -3.62 0.35 -5.35 -0.04 -4.95 119.36 102.67 2wda n ILE 602 Ca -0.03 -0.57 -0.02 0.00 -0.27 0.00 0.00 62.75 61.86 2wda n ILE 602 Cb 0.09 0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 38.66 2wda n ILE 602 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wda s ASN 603 N -0.56 -1.04 0.12 7.28 3.84 -0.66 -1.29 114.94 122.62 2wda s ASN 603 Ca 0.00 1.47 0.19 0.00 0.21 0.00 0.00 52.86 54.73 2wda s ASN 603 Cb 0.00 2.02 0.79 0.00 -0.55 0.00 0.00 41.25 43.51 2wda s ASN 603 CO 0.00 -0.21 1.58 0.35 -2.79 0.00 0.00 177.10 176.03 2wda n THR 604 N 5.11 0.91 -0.46 -5.21 -2.24 -0.31 -2.61 114.28 109.47 2wda n THR 604 Ca -0.14 0.23 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 2wda n THR 604 Cb 0.52 -1.06 0.33 0.00 -2.10 0.00 0.00 70.33 68.01 2wda n THR 604 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wda n THR 605 N -1.84 1.29 -4.19 4.28 -2.24 -1.26 -4.98 114.28 105.34 2wda n THR 605 Ca 0.03 -1.07 -0.23 0.00 -2.27 0.00 0.00 64.05 60.51 2wda n THR 605 Cb 0.20 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2wda n THR 605 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wda s SER 606 N -0.98 4.72 0.94 3.42 0.01 -1.07 0.02 113.70 120.76 2wda s SER 606 Ca 0.49 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 2wda s SER 606 Cb 0.28 -0.86 0.16 0.00 0.21 0.00 0.00 66.02 65.80 2wda s SER 606 CO 0.30 -0.14 1.10 0.42 0.41 0.00 0.00 173.24 175.33 2wda s THR 607 N -2.35 2.41 -1.85 1.44 -4.23 -0.15 -4.15 115.64 106.76 2wda s THR 607 Ca 0.34 0.13 0.16 0.00 -1.18 0.00 0.00 61.69 61.15 2wda s THR 607 Cb -0.05 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 71.67 2wda s THR 607 CO 0.22 -0.17 1.13 0.35 -0.54 0.00 0.00 174.62 175.60 2wda n THR 608 N -4.17 0.30 -1.71 3.99 -2.24 -1.26 -1.58 114.28 107.60 2wda n THR 608 Ca 0.08 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 2wda n THR 608 Cb 0.53 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 2wda n THR 608 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wda n GLU 609 N 0.95 2.51 -3.94 -0.78 0.28 -1.26 -4.83 120.64 113.57 2wda n GLU 609 Ca 0.12 0.90 -0.36 0.00 -0.16 0.00 0.00 57.16 57.66 2wda n GLU 609 Cb 0.44 -2.68 -0.08 0.00 1.43 0.00 0.00 31.44 30.55 2wda n GLU 609 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2wda s ARG 610 N 0.39 3.64 0.16 3.44 0.52 -1.26 -4.23 118.95 121.61 2wda s ARG 610 Ca 0.72 -0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 2wda s ARG 610 Cb -0.56 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 2wda s ARG 610 CO 0.41 0.57 -0.10 1.03 0.02 0.00 0.00 175.30 177.23 2wda s ARG 611 N -0.44 1.12 -0.10 3.54 0.52 -0.37 -4.92 118.95 118.29 2wda s ARG 611 Ca 0.11 -1.49 -0.00 0.00 -0.52 0.00 0.00 55.73 53.83 2wda s ARG 611 Cb -0.12 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 2wda s ARG 611 CO 0.02 0.08 -0.08 0.99 0.02 0.00 0.00 175.30 176.33 2wda s THR 612 N -3.29 3.60 -0.01 0.02 2.01 -1.26 -0.97 115.64 115.74 2wda s THR 612 Ca 0.18 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2wda s THR 612 Cb 0.02 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 2wda s THR 612 CO 0.02 0.56 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.22 2wda s ARG 613 N -0.31 1.30 0.23 4.92 1.81 -0.06 -4.35 118.95 122.49 2wda s ARG 613 Ca 0.04 -0.57 -0.16 0.00 -1.72 0.00 0.00 55.73 53.32 2wda s ARG 613 Cb -0.13 -1.26 -0.08 0.00 -0.45 0.00 0.00 34.95 33.04 2wda s ARG 613 CO 0.02 0.34 0.67 0.50 -0.68 0.00 0.00 175.30 176.16 2wda s ARG 614 N -0.37 4.09 -0.02 3.54 3.52 -0.36 -1.36 118.95 127.99 2wda s ARG 614 Ca 0.06 0.68 0.04 0.00 -0.13 0.00 0.00 55.73 56.38 2wda s ARG 614 Cb -0.06 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.56 2wda s ARG 614 CO -0.01 0.35 -0.14 -1.58 -0.81 0.00 0.00 175.30 173.12 2wda s TRP 615 N -1.64 1.29 -0.26 5.12 0.52 0.06 -0.21 118.94 123.81 2wda s TRP 615 Ca 0.45 -0.27 -0.04 0.00 0.02 0.00 0.00 56.10 56.26 2wda s TRP 615 Cb -0.14 -0.84 0.01 0.00 -1.15 0.00 0.00 33.47 31.35 2wda s TRP 615 CO 0.20 -0.05 -0.01 -1.14 0.02 0.00 0.00 176.95 175.96 2wda s GLN 616 N -0.21 3.00 0.07 4.98 2.00 -0.09 -1.81 119.66 127.61 2wda s GLN 616 Ca 0.03 -0.88 0.09 0.00 -2.00 0.00 0.00 55.36 52.60 2wda s GLN 616 Cb -0.07 -3.11 -0.03 0.00 0.80 0.00 0.00 33.01 30.60 2wda s GLN 616 CO -0.00 -0.38 -0.25 -0.08 -0.50 0.00 0.00 175.29 174.08 2wda s THR 617 N 1.40 2.31 -0.02 -0.34 -1.32 -0.01 -0.76 115.64 116.91 2wda s THR 617 Ca 0.02 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 2wda s THR 617 Cb -0.16 -1.95 0.02 0.00 -1.51 0.00 0.00 72.50 68.90 2wda s THR 617 CO -0.02 0.28 0.01 -0.76 -2.21 0.00 0.00 174.62 171.91 2wda s LEU 618 N -1.53 1.33 0.17 9.08 1.43 0.60 -1.80 118.68 127.96 2wda s LEU 618 Ca 0.13 -0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 2wda s LEU 618 Cb -0.10 -0.13 0.04 0.00 0.03 0.00 0.00 46.19 46.03 2wda s LEU 618 CO 0.04 -0.08 0.53 -1.66 0.23 0.00 0.00 176.35 175.40 2wda s TRP 619 N 0.79 -0.28 -0.09 0.29 -2.14 0.24 -0.51 118.94 117.24 2wda s TRP 619 Ca -0.07 -0.02 0.02 0.00 2.66 0.00 0.00 56.10 58.68 2wda s TRP 619 Cb -0.10 0.43 -0.02 0.00 -3.10 0.00 0.00 33.47 30.67 2wda s TRP 619 CO -0.02 -0.86 -0.13 -0.51 -2.66 0.00 0.00 176.95 172.78 2wda s LEU 620 N -2.82 2.78 -0.33 -4.66 1.43 0.16 -0.05 118.68 115.20 2wda s LEU 620 Ca 0.05 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 2wda s LEU 620 Cb -0.00 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2wda s LEU 620 CO -0.08 0.27 0.29 -0.62 0.23 0.00 0.00 176.35 176.44 2wda s ASP 621 N -0.28 6.11 -0.01 2.29 -1.08 -1.26 -1.20 116.67 121.24 2wda s ASP 621 Ca 0.02 -0.26 0.12 0.00 -0.52 0.00 0.00 52.55 51.92 2wda s ASP 621 Cb -0.13 -2.16 0.37 0.00 -1.46 0.00 0.00 42.92 39.54 2wda s ASP 621 CO 0.03 -0.25 1.30 1.41 0.52 0.00 0.00 175.17 178.17 2wda n HIS 622 N 5.22 0.59 -0.18 -5.34 8.25 0.28 -5.02 115.22 119.02 2wda n HIS 622 Ca -0.11 -0.28 0.02 0.00 -0.26 0.00 0.00 57.72 57.09 2wda n HIS 622 Cb 0.50 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 2wda n HIS 622 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wda n GLY 623 N 1.10 -1.72 3.74 -1.41 0.00 -1.25 -4.48 105.19 101.17 2wda n GLY 623 Ca 0.14 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 2wda n GLY 623 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wda s THR 624 N -1.70 4.68 -1.30 2.61 2.01 -1.26 -2.22 115.64 118.45 2wda s THR 624 Ca 0.00 1.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.72 2wda s THR 624 Cb 0.00 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 2wda s THR 624 CO 0.00 0.36 0.70 0.47 -0.69 0.00 0.00 174.62 175.45 2wda n ASP 625 N 2.78 -1.31 -4.71 3.53 8.00 -1.23 -4.93 116.55 118.69 2wda n ASP 625 Ca -0.01 -0.83 -0.33 0.00 0.71 0.00 0.00 54.79 54.33 2wda n ASP 625 Cb 0.50 -4.03 0.12 0.00 -0.02 0.00 0.00 41.12 37.69 2wda n ASP 625 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2wda s PRO 626 N -5.96 1.76 -0.21 -0.24 0.04 -1.25 -4.71 135.00 124.44 2wda s PRO 626 Ca 0.02 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2wda s PRO 626 Cb -0.01 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.80 2wda s PRO 626 CO 0.81 -2.10 0.01 0.00 0.04 0.00 0.00 177.00 175.76 2wda s ALA 627 N -2.23 1.29 -1.61 8.56 0.00 -1.23 -1.89 121.76 124.64 2wda s ALA 627 Ca 0.72 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 2wda s ALA 627 Cb -0.27 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2wda s ALA 627 CO 0.50 -1.17 0.05 0.41 0.00 0.00 0.00 175.76 175.55 2wda n GLY 628 N 4.94 -0.50 3.59 0.00 0.00 -0.76 -4.93 105.19 107.53 2wda n GLY 628 Ca -0.10 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2wda n GLY 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda n ALA 629 N -2.19 -1.50 -3.05 4.61 0.00 -0.53 -4.30 120.51 113.56 2wda n ALA 629 Ca -0.21 -0.70 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 2wda n ALA 629 Cb 0.67 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 2wda n ALA 629 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wda s ASP 630 N -2.50 0.14 0.13 0.00 1.47 -1.26 -1.08 116.67 113.57 2wda s ASP 630 Ca 0.66 -1.10 -0.21 0.00 1.18 0.00 0.00 52.55 53.08 2wda s ASP 630 Cb -0.23 0.59 0.06 0.00 -0.34 0.00 0.00 42.92 43.00 2wda s ASP 630 CO 0.61 -1.16 0.53 -0.72 0.68 0.00 0.00 175.17 175.10 2wda s TYR 631 N -3.77 -0.43 -0.02 2.11 -0.85 -0.21 -4.94 117.35 109.24 2wda s TYR 631 Ca 0.25 0.24 0.00 0.00 -0.52 0.00 0.00 57.07 57.05 2wda s TYR 631 Cb -0.00 0.43 0.02 0.00 0.38 0.00 0.00 41.96 42.80 2wda s TYR 631 CO 0.12 -0.77 0.01 0.08 -1.52 0.00 0.00 175.55 173.47 2wda s VAL 632 N -3.51 0.05 0.10 -3.49 1.01 -1.26 -0.96 120.40 112.34 2wda s VAL 632 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 2wda s VAL 632 Cb -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.27 2wda s VAL 632 CO -0.10 0.10 0.41 -0.72 0.00 0.00 0.00 175.10 174.79 2wda s TYR 633 N 0.91 -0.23 -0.07 5.22 -0.85 -0.18 -4.73 117.35 117.42 2wda s TYR 633 Ca -0.08 0.00 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 2wda s TYR 633 Cb -0.12 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.48 2wda s TYR 633 CO -0.02 -0.67 -0.15 0.99 -1.52 0.00 0.00 175.55 174.18 2wda s THR 634 N -3.40 1.36 -0.14 -3.49 2.01 -0.54 0.24 115.64 111.69 2wda s THR 634 Ca 0.00 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 2wda s THR 634 Cb 0.01 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2wda s THR 634 CO -0.09 0.40 0.10 0.54 -0.69 0.00 0.00 174.62 174.88 2wda s VAL 635 N 0.50 5.14 -0.63 3.82 0.11 -0.39 -0.64 120.40 128.31 2wda s VAL 635 Ca -0.14 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 2wda s VAL 635 Cb -0.16 -3.26 0.16 0.00 -1.53 0.00 0.00 36.38 31.60 2wda s VAL 635 CO 0.05 0.56 0.42 -0.04 -3.33 0.00 0.00 175.10 172.75 2wda s MET 636 N -0.51 2.18 0.34 1.54 -1.94 0.14 -0.92 119.30 120.12 2wda s MET 636 Ca 0.11 -3.03 -0.29 0.00 -1.71 0.00 0.00 55.69 50.78 2wda s MET 636 Cb -0.12 -3.19 -0.10 0.00 2.01 0.00 0.00 34.83 33.43 2wda s MET 636 CO 0.02 -1.25 1.34 -2.14 -0.01 0.00 0.00 175.02 172.98 2wda s PRO 637 N -1.00 4.31 0.00 2.03 0.02 -1.26 -1.83 135.00 137.27 2wda s PRO 637 Ca 0.23 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2wda s PRO 637 Cb -0.10 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2wda s PRO 637 CO -0.12 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 2wda n GLY 638 N 0.80 1.33 3.85 0.52 0.00 -0.42 -4.54 105.19 106.74 2wda n GLY 638 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wda n GLY 638 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda s ALA 639 N -3.83 3.30 0.69 4.61 0.00 -1.05 -4.91 121.76 120.57 2wda s ALA 639 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2wda s ALA 639 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.34 2wda s ALA 639 CO 0.00 0.28 1.07 -1.54 0.00 0.00 0.00 175.76 175.57 2wda s SER 640 N -2.37 5.19 0.33 0.00 1.04 -1.26 -4.38 113.70 112.24 2wda s SER 640 Ca 0.55 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.82 2wda s SER 640 Cb -0.10 -2.52 0.78 0.00 0.10 0.00 0.00 66.02 64.28 2wda s SER 640 CO 0.19 -1.57 1.81 -0.09 0.98 0.00 0.00 173.24 174.55 2wda h ARG 641 N -0.48 0.71 0.01 4.02 2.43 -1.97 -2.10 114.38 117.00 2wda h ARG 641 Ca -0.45 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.47 2wda h ARG 641 Cb 1.22 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2wda h ARG 641 CO 0.55 0.47 -0.84 0.00 -1.51 0.00 0.00 179.97 178.64 2wda h ALA 642 N 1.62 0.09 -0.84 2.80 0.00 -1.99 -0.78 119.26 120.15 2wda h ALA 642 Ca 0.54 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wda h ALA 642 Cb 0.88 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2wda h ALA 642 CO -0.31 0.52 0.55 0.00 0.00 0.00 0.00 179.25 180.01 2wda h ALA 643 N 0.35 1.51 -0.05 0.00 0.00 -1.91 -1.51 119.26 117.65 2wda h ALA 643 Ca -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2wda h ALA 643 Cb 1.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wda h ALA 643 CO 0.17 0.39 -0.05 1.25 0.00 0.00 0.00 179.25 181.01 2wda h LEU 644 N 1.00 0.13 -1.17 0.00 5.85 -1.09 -1.39 115.31 118.65 2wda h LEU 644 Ca 0.34 -0.47 0.16 0.00 0.84 0.00 0.00 57.88 58.75 2wda h LEU 644 Cb 0.10 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 2wda h LEU 644 CO -0.11 0.58 0.60 0.00 -0.34 0.00 0.00 178.44 179.17 2wda h ALA 645 N 0.56 1.76 -0.16 1.25 0.00 -1.05 -0.80 119.26 120.81 2wda h ALA 645 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wda h ALA 645 Cb 0.54 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wda h ALA 645 CO 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.16 2wda h ARG 646 N 0.75 0.33 -0.53 0.00 3.08 -1.06 -2.63 114.38 114.32 2wda h ARG 646 Ca 0.50 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.35 2wda h ARG 646 Cb 0.78 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2wda h ARG 646 CO -0.27 0.62 0.03 -0.09 -1.07 0.00 0.00 179.97 179.19 2wda h ARG 647 N 0.02 0.88 -0.13 0.04 9.65 -0.96 -2.25 114.38 121.64 2wda h ARG 647 Ca 0.04 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.61 2wda h ARG 647 Cb 0.50 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2wda h ARG 647 CO 0.02 0.86 -0.23 0.00 2.80 0.00 0.00 179.97 183.43 2wda h ALA 648 N 1.20 1.39 -0.01 2.80 0.00 -1.18 -2.95 119.26 120.51 2wda h ALA 648 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wda h ALA 648 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2wda h ALA 648 CO 0.02 0.43 -0.27 0.00 0.00 0.00 0.00 179.25 179.42 2wda n ALA 649 N -2.48 3.11 -2.56 0.00 0.00 -0.92 -4.81 120.51 112.84 2wda n ALA 649 Ca -0.01 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 2wda n ALA 649 Cb 0.34 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 2wda n ALA 649 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wda s ASP 650 N -2.50 6.33 0.22 0.00 2.15 -0.90 -4.93 116.67 117.05 2wda s ASP 650 Ca 0.24 0.02 0.25 0.00 0.43 0.00 0.00 52.55 53.49 2wda s ASP 650 Cb 0.19 -2.27 0.57 0.00 -0.30 0.00 0.00 42.92 41.11 2wda s ASP 650 CO 0.52 -0.47 1.59 0.03 -0.17 0.00 0.00 175.17 176.67 2wda h ARG 651 N 8.43 0.00 0.03 4.34 3.08 -1.87 -3.35 114.38 125.04 2wda h ARG 651 Ca -0.28 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.46 2wda h ARG 651 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 2wda h ARG 651 CO 0.77 0.00 -1.77 1.58 -1.07 0.00 0.00 179.97 179.49 2wda n HIS 652 N -2.37 1.07 0.27 3.04 -0.00 -1.26 -4.36 115.22 111.61 2wda n HIS 652 Ca 0.04 0.35 0.10 0.00 0.46 0.00 0.00 57.72 58.67 2wda n HIS 652 Cb 0.45 -1.18 0.72 0.00 -0.12 0.00 0.00 29.99 29.86 2wda n HIS 652 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 2wda h TRP 653 N 0.02 0.00 -3.46 1.57 5.08 -1.94 -3.42 115.95 113.80 2wda h TRP 653 Ca -0.31 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.30 2wda h TRP 653 Cb 2.02 0.00 -0.35 0.00 -3.00 0.00 0.00 29.16 27.83 2wda h TRP 653 CO 0.02 0.04 -0.75 -1.17 -1.28 0.00 0.00 178.44 175.30 2wda s LEU 654 N -8.36 1.02 -0.16 0.11 2.96 -1.26 -3.86 118.68 109.13 2wda s LEU 654 Ca -0.05 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2wda s LEU 654 Cb 0.16 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.61 2wda s LEU 654 CO 0.62 -0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.48 2wda s THR 655 N 1.21 2.55 -0.63 3.68 2.01 -0.61 -4.98 115.64 118.88 2wda s THR 655 Ca -0.07 -0.80 -0.28 0.00 0.31 0.00 0.00 61.69 60.85 2wda s THR 655 Cb -0.13 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.33 2wda s THR 655 CO -0.02 0.52 1.22 -0.69 -0.69 0.00 0.00 174.62 174.96 2wda s VAL 656 N 0.90 3.93 0.29 3.82 1.01 -1.26 -0.58 120.40 128.49 2wda s VAL 656 Ca -0.04 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 2wda s VAL 656 Cb -0.15 -4.79 0.18 0.00 0.00 0.00 0.00 36.38 31.63 2wda s VAL 656 CO -0.02 -1.50 1.87 -0.07 0.00 0.00 0.00 175.10 175.38 2wda h LEU 657 N 12.26 0.80 -7.00 3.92 3.38 -0.91 -3.46 115.31 124.31 2wda h LEU 657 Ca -0.26 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.67 2wda h LEU 657 Cb 1.05 -0.21 -0.25 0.00 0.09 0.00 0.00 40.66 41.34 2wda h LEU 657 CO 1.22 0.73 0.34 0.00 0.09 0.00 0.00 178.44 180.82 2wda s ALA 658 N -5.39 -2.06 -0.41 1.53 0.00 -1.14 -4.67 121.76 109.63 2wda s ALA 658 Ca -0.10 2.09 0.04 0.00 0.00 0.00 0.00 51.96 53.98 2wda s ALA 658 Cb 0.16 -1.52 0.17 0.00 0.00 0.00 0.00 23.12 21.93 2wda s ALA 658 CO 0.80 -0.30 0.35 1.21 0.00 0.00 0.00 175.76 177.81 2wda s ASN 659 N 0.84 1.39 0.25 0.00 2.47 -1.23 -1.24 114.94 117.42 2wda s ASN 659 Ca -0.03 -2.90 0.01 0.00 0.42 0.00 0.00 52.86 50.36 2wda s ASN 659 Cb -0.04 -0.29 -0.00 0.00 -1.45 0.00 0.00 41.25 39.46 2wda s ASN 659 CO -0.11 -0.18 0.30 -0.90 -3.72 0.00 0.00 177.10 172.49 2wda n ASP 660 N 2.98 -0.81 0.00 -4.21 5.68 -0.27 -4.85 116.55 115.06 2wda n ASP 660 Ca 0.27 -2.45 0.08 0.00 -0.50 0.00 0.00 54.79 52.20 2wda n ASP 660 Cb 0.47 1.61 0.50 0.00 -1.14 0.00 0.00 41.12 42.56 2wda n ASP 660 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2wda n ASP 661 N -1.87 0.00 -0.07 -1.12 5.75 -1.26 -2.17 116.55 115.81 2wda n ASP 661 Ca 0.02 -1.12 -0.06 0.00 -0.01 0.00 0.00 54.79 53.63 2wda n ASP 661 Cb 0.43 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.40 2wda n ASP 661 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wda n ARG 662 N -0.82 1.37 -3.61 0.11 1.74 -1.26 -4.76 116.66 109.44 2wda n ARG 662 Ca 0.13 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 2wda n ARG 662 Cb 0.06 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 2wda n ARG 662 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2wda s ARG 663 N -2.47 0.70 -0.08 5.56 3.03 -0.92 -1.07 118.95 123.71 2wda s ARG 663 Ca -0.07 0.62 0.04 0.00 2.03 0.00 0.00 55.73 58.34 2wda s ARG 663 Cb 0.05 0.34 0.00 0.00 -1.03 0.00 0.00 34.95 34.32 2wda s ARG 663 CO 0.63 -0.13 -0.19 -0.65 -1.13 0.00 0.00 175.30 173.84 2wda s GLN 664 N -0.11 2.35 -0.26 3.89 -0.21 -0.33 -1.12 119.66 123.88 2wda s GLN 664 Ca -0.01 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 54.44 2wda s GLN 664 Cb -0.04 -1.86 0.08 0.00 1.00 0.00 0.00 33.01 32.19 2wda s GLN 664 CO -0.00 0.15 0.76 0.00 -2.12 0.00 0.00 175.29 174.07 2wda s ALA 665 N 0.38 -1.80 0.11 6.09 0.00 -0.37 0.40 121.76 126.56 2wda s ALA 665 Ca -0.14 1.97 0.03 0.00 0.00 0.00 0.00 51.96 53.82 2wda s ALA 665 Cb -0.16 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2wda s ALA 665 CO 0.06 -0.33 -0.09 0.14 0.00 0.00 0.00 175.76 175.54 2wda s VAL 666 N 0.27 0.92 -0.09 0.00 -7.23 0.77 -0.20 120.40 114.84 2wda s VAL 666 Ca -0.00 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2wda s VAL 666 Cb -0.05 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2wda s VAL 666 CO 0.01 -0.74 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.32 2wda s SER 667 N -2.92 2.49 -0.44 4.85 0.15 0.25 -1.31 113.70 116.77 2wda s SER 667 Ca 0.12 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2wda s SER 667 Cb 0.02 -1.14 0.13 0.00 -1.71 0.00 0.00 66.02 63.32 2wda s SER 667 CO -0.02 0.08 0.22 -0.69 1.20 0.00 0.00 173.24 174.03 2wda s VAL 668 N 0.59 1.63 0.45 4.45 1.01 0.63 -1.57 120.40 127.59 2wda s VAL 668 Ca -0.15 -2.57 0.13 0.00 0.00 0.00 0.00 61.98 59.40 2wda s VAL 668 Cb -0.17 -2.15 0.20 0.00 0.00 0.00 0.00 36.38 34.26 2wda s VAL 668 CO 0.05 -0.83 2.01 1.55 0.00 0.00 0.00 175.10 177.87 2wda h PRO 669 N 6.88 0.07 0.00 2.72 0.13 -1.81 -0.41 132.00 139.59 2wda h PRO 669 Ca -0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2wda h PRO 669 Cb 0.94 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2wda h PRO 669 CO 0.52 0.20 0.00 0.66 -0.23 0.00 0.00 178.00 179.15 2wda h SER 670 N 0.07 0.00 -0.33 1.44 4.64 -1.94 -0.70 113.55 116.73 2wda h SER 670 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2wda h SER 670 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2wda h SER 670 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 2wda n LEU 671 N -2.62 2.90 -2.55 5.97 4.77 -0.22 -4.95 117.00 120.30 2wda n LEU 671 Ca -0.01 -1.75 -0.17 0.00 -0.03 0.00 0.00 56.01 54.05 2wda n LEU 671 Cb 0.10 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2wda n LEU 671 CO 0.16 0.69 -0.17 0.61 -1.33 0.00 0.00 177.39 177.35 2wda n GLY 672 N 0.76 -0.50 3.47 -0.72 0.00 -0.27 -4.56 105.19 103.37 2wda n GLY 672 Ca 0.13 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2wda n GLY 672 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wda s LEU 673 N -5.90 3.01 -0.06 0.99 0.20 -0.83 -0.95 118.68 115.13 2wda s LEU 673 Ca 0.05 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.74 2wda s LEU 673 Cb -0.03 -1.69 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 2wda s LEU 673 CO 0.07 0.22 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.24 2wda s THR 674 N 0.05 1.79 -0.03 3.68 2.01 0.17 -0.27 115.64 123.04 2wda s THR 674 Ca -0.02 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 2wda s THR 674 Cb -0.14 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.85 2wda s THR 674 CO 0.03 0.50 0.06 0.00 -0.69 0.00 0.00 174.62 174.53 2wda s ALA 675 N 0.06 -0.11 -0.11 7.40 0.00 -0.43 -0.48 121.76 128.09 2wda s ALA 675 Ca -0.07 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 2wda s ALA 675 Cb -0.14 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.86 2wda s ALA 675 CO 0.04 -0.06 0.27 0.00 0.00 0.00 0.00 175.76 176.01 2wda s ALA 676 N 0.37 -0.62 -0.37 0.00 0.00 -0.42 -0.16 121.76 120.55 2wda s ALA 676 Ca -0.03 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 2wda s ALA 676 Cb -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2wda s ALA 676 CO -0.01 -0.20 0.26 -0.80 0.00 0.00 0.00 175.76 175.01 2wda s ASN 677 N 1.21 6.07 -0.49 0.00 0.01 0.16 -1.33 114.94 120.56 2wda s ASN 677 Ca -0.09 -0.65 -0.17 0.00 -0.71 0.00 0.00 52.86 51.24 2wda s ASN 677 Cb -0.10 -2.14 0.07 0.00 0.41 0.00 0.00 41.25 39.49 2wda s ASN 677 CO -0.09 -0.33 0.52 -0.36 -1.51 0.00 0.00 177.10 175.33 2wda s PHE 678 N 1.70 3.14 0.17 2.20 0.08 0.45 -1.19 117.98 124.53 2wda s PHE 678 Ca 0.05 -0.74 0.35 0.00 0.12 0.00 0.00 56.93 56.71 2wda s PHE 678 Cb -0.18 -3.39 1.59 0.00 -0.57 0.00 0.00 43.02 40.47 2wda s PHE 678 CO 0.10 -0.93 2.04 -1.49 -0.10 0.00 0.00 175.22 174.84 2wda h TRP 679 N 8.89 0.00 -3.34 0.36 4.06 -1.37 -2.20 115.95 122.35 2wda h TRP 679 Ca -0.28 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.57 2wda h TRP 679 Cb 1.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 2wda h TRP 679 CO 0.70 0.00 0.14 1.14 -3.56 0.00 0.00 178.44 176.86 2wda s GLN 680 N -3.75 2.18 0.57 0.49 -2.07 -1.20 -4.61 119.66 111.27 2wda s GLN 680 Ca -0.00 -1.57 -0.19 0.00 -1.82 0.00 0.00 55.36 51.78 2wda s GLN 680 Cb 0.10 0.57 -0.07 0.00 -1.09 0.00 0.00 33.01 32.52 2wda s GLN 680 CO 0.48 -0.99 0.77 0.00 -1.32 0.00 0.00 175.29 174.23 2wda n ALA 681 N -0.55 -0.44 0.00 2.60 0.00 -1.26 -4.36 120.51 116.50 2wda n ALA 681 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wda n ALA 681 Cb 0.60 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2wda n ALA 681 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wda n GLY 682 N 1.51 -1.71 3.03 0.00 0.00 -0.70 -4.94 105.19 102.37 2wda n GLY 682 Ca 0.12 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 2wda n GLY 682 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wda s THR 683 N -2.56 0.07 -0.14 2.61 -1.32 -1.26 -0.71 115.64 112.34 2wda s THR 683 Ca 0.00 -0.57 -0.05 0.00 -1.21 0.00 0.00 61.69 59.86 2wda s THR 683 Cb 0.00 -0.29 0.07 0.00 -1.51 0.00 0.00 72.50 70.76 2wda s THR 683 CO 0.00 -0.31 0.28 0.00 -2.21 0.00 0.00 174.62 172.38 2wda s ALA 684 N -1.01 -0.63 0.00 11.08 0.00 0.69 -4.99 121.76 126.90 2wda s ALA 684 Ca -0.11 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2wda s ALA 684 Cb -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.04 2wda s ALA 684 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2wda n GLY 685 N 5.23 3.10 0.88 0.00 0.00 -1.26 -0.78 105.19 112.36 2wda n GLY 685 Ca -0.09 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2wda n GLY 685 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wda n PRO 686 N 14.00 2.28 -5.10 1.61 -0.04 -1.26 -4.86 135.00 141.62 2wda n PRO 686 Ca 0.00 -1.43 -0.32 0.00 -0.04 0.00 0.00 63.50 61.71 2wda n PRO 686 Cb 0.00 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.79 2wda n PRO 686 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wda s LEU 687 N -1.15 2.37 0.01 1.53 1.43 0.04 -0.52 118.68 122.39 2wda s LEU 687 Ca 0.26 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2wda s LEU 687 Cb 0.16 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 2wda s LEU 687 CO 0.13 0.31 -0.10 -0.89 0.23 0.00 0.00 176.35 176.04 2wda s THR 688 N -0.53 0.77 0.06 5.49 2.01 -0.02 -0.22 115.64 123.19 2wda s THR 688 Ca 0.07 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2wda s THR 688 Cb -0.11 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2wda s THR 688 CO 0.01 0.06 -0.12 0.28 -0.69 0.00 0.00 174.62 174.16 2wda s THR 689 N -0.53 0.95 -2.39 -0.82 -1.32 0.11 -1.14 115.64 110.51 2wda s THR 689 Ca 0.01 -1.24 0.28 0.00 -1.21 0.00 0.00 61.69 59.53 2wda s THR 689 Cb -0.05 -0.94 0.56 0.00 -1.51 0.00 0.00 72.50 70.56 2wda s THR 689 CO 0.00 -0.27 1.78 0.35 -2.21 0.00 0.00 174.62 174.27 2wda n THR 690 N 1.33 0.00 -3.57 5.08 -2.24 -0.47 -1.72 114.28 112.69 2wda n THR 690 Ca -0.22 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 2wda n THR 690 Cb 0.54 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 2wda n THR 690 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wda s ALA 691 N -2.04 -1.39 0.19 6.98 0.00 -1.26 -4.48 121.76 119.75 2wda s ALA 691 Ca 0.38 0.19 -0.33 0.00 0.00 0.00 0.00 51.96 52.19 2wda s ALA 691 Cb 0.21 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 24.06 2wda s ALA 691 CO 0.35 -0.83 1.50 0.41 0.00 0.00 0.00 175.76 177.19 2wda n GLY 692 N -0.39 0.96 3.51 0.00 0.00 -1.26 -4.40 105.19 103.61 2wda n GLY 692 Ca -0.13 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 2wda n GLY 692 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda s ALA 693 N 0.52 -1.76 -0.09 4.61 0.00 -0.83 -4.59 121.76 119.63 2wda s ALA 693 Ca 0.75 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.58 2wda s ALA 693 Cb -0.68 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2wda s ALA 693 CO 0.43 -0.73 -0.21 0.45 0.00 0.00 0.00 175.76 175.70 2wda s SER 694 N -2.57 3.37 -0.01 0.00 0.15 -0.22 -0.42 113.70 114.01 2wda s SER 694 Ca 0.05 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.25 2wda s SER 694 Cb -0.01 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2wda s SER 694 CO -0.09 0.21 -0.03 -0.69 1.20 0.00 0.00 173.24 173.83 2wda s VAL 695 N 0.08 0.29 -0.06 4.45 1.01 -0.44 -0.68 120.40 125.04 2wda s VAL 695 Ca -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2wda s VAL 695 Cb -0.15 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 35.99 2wda s VAL 695 CO 0.06 0.10 0.02 -0.22 0.00 0.00 0.00 175.10 175.05 2wda s LEU 696 N 0.08 0.51 -0.12 3.92 2.96 0.11 -1.30 118.68 124.85 2wda s LEU 696 Ca -0.00 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2wda s LEU 696 Cb -0.03 -0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.32 2wda s LEU 696 CO -0.00 -0.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.99 2wda s VAL 697 N 1.92 2.96 -0.19 1.68 1.01 0.37 0.20 120.40 128.35 2wda s VAL 697 Ca 0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2wda s VAL 697 Cb -0.12 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.08 2wda s VAL 697 CO -0.04 0.53 -0.01 -0.60 0.00 0.00 0.00 175.10 174.98 2wda s ARG 698 N 0.24 1.06 -0.04 2.72 3.52 -0.63 -0.65 118.95 125.17 2wda s ARG 698 Ca -0.09 -0.53 -0.19 0.00 -0.13 0.00 0.00 55.73 54.79 2wda s ARG 698 Cb -0.16 -2.10 -0.05 0.00 -1.56 0.00 0.00 34.95 31.08 2wda s ARG 698 CO 0.05 -0.55 0.52 1.03 -0.81 0.00 0.00 175.30 175.55 2wda s ARG 699 N 1.71 4.25 -0.40 5.12 0.52 -0.12 -1.75 118.95 128.28 2wda s ARG 699 Ca -0.01 0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.80 2wda s ARG 699 Cb -0.17 -3.35 0.14 0.00 0.52 0.00 0.00 34.95 32.09 2wda s ARG 699 CO -0.07 0.36 0.23 1.03 0.02 0.00 0.00 175.30 176.87 2wda s ARG 700 N -0.08 0.94 5.01 3.54 0.52 -0.03 -4.44 118.95 124.41 2wda s ARG 700 Ca 0.28 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 2wda s ARG 700 Cb -0.17 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.47 2wda s ARG 700 CO 0.14 -1.20 0.00 0.41 0.02 0.00 0.00 175.30 174.68 2wda n GLY 701 N 3.72 1.28 0.78 -3.53 0.00 -1.26 -2.51 105.19 103.67 2wda n GLY 701 Ca 0.11 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.43 2wda n GLY 701 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wda n ARG 702 N 0.00 2.05 -4.36 1.61 1.85 -1.26 -4.95 116.66 111.60 2wda n ARG 702 Ca 0.00 -1.89 -0.18 0.00 -1.00 0.00 0.00 57.85 54.78 2wda n ARG 702 Cb 0.00 -1.35 -0.10 0.00 -1.05 0.00 0.00 32.46 29.96 2wda n ARG 702 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2wda s THR 703 N -1.15 1.28 -0.00 8.89 -4.23 -1.05 -0.28 115.64 119.10 2wda s THR 703 Ca 0.26 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.58 2wda s THR 703 Cb 0.15 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.67 2wda s THR 703 CO 0.21 -0.35 0.25 0.00 -0.54 0.00 0.00 174.62 174.20 2wda s ALA 704 N -3.26 -0.62 -0.03 3.99 0.00 -0.42 -0.85 121.76 120.57 2wda s ALA 704 Ca 0.28 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.44 2wda s ALA 704 Cb 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 2wda s ALA 704 CO 0.09 -0.26 -0.24 0.95 0.00 0.00 0.00 175.76 176.30 2wda s THR 705 N -1.51 1.92 -0.12 0.00 -4.23 -0.72 -0.01 115.64 110.96 2wda s THR 705 Ca -0.13 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2wda s THR 705 Cb -0.05 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2wda s THR 705 CO 0.02 0.54 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.21 2wda s LEU 706 N -0.47 2.18 -0.04 4.79 0.20 0.11 -1.61 118.68 123.84 2wda s LEU 706 Ca 0.07 -0.55 0.07 0.00 0.69 0.00 0.00 54.13 54.40 2wda s LEU 706 Cb -0.10 -1.45 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 2wda s LEU 706 CO 0.00 0.12 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.81 2wda s ARG 707 N 0.58 2.15 -0.08 1.98 0.52 0.13 -1.58 118.95 122.65 2wda s ARG 707 Ca -0.12 -0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 54.20 2wda s ARG 707 Cb -0.17 -1.95 0.04 0.00 0.52 0.00 0.00 34.95 33.40 2wda s ARG 707 CO 0.03 0.43 0.19 0.54 0.02 0.00 0.00 175.30 176.52 2wda s VAL 708 N -0.34 -0.04 0.31 3.52 0.11 -0.33 0.07 120.40 123.70 2wda s VAL 708 Ca 0.03 0.13 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 2wda s VAL 708 Cb -0.11 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 2wda s VAL 708 CO 0.01 0.05 -0.01 -0.94 -3.33 0.00 0.00 175.10 170.88 2wda s SER 709 N 1.01 2.83 -0.54 3.54 1.04 0.14 -0.76 113.70 120.95 2wda s SER 709 Ca -0.08 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.12 2wda s SER 709 Cb -0.09 -0.18 0.14 0.00 0.10 0.00 0.00 66.02 65.99 2wda s SER 709 CO -0.06 -0.43 0.30 -0.70 0.98 0.00 0.00 173.24 173.32 2wda s GLU 710 N -3.77 2.00 0.53 4.02 2.12 -1.26 -1.05 118.70 121.28 2wda s GLU 710 Ca 0.32 -2.70 0.26 0.00 0.36 0.00 0.00 54.97 53.22 2wda s GLU 710 Cb 0.06 -3.25 1.46 0.00 0.26 0.00 0.00 34.13 32.66 2wda s GLU 710 CO 0.14 -1.14 2.09 -1.35 -0.54 0.00 0.00 175.26 174.46 2wda h PRO 711 N 6.33 0.00 0.00 4.30 0.11 -1.89 -1.49 132.00 139.36 2wda h PRO 711 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2wda h PRO 711 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wda h PRO 711 CO 0.68 0.11 0.00 -1.35 -0.21 0.00 0.00 178.00 177.22 2wda h PRO 712 N 0.00 0.00 -3.13 1.05 0.11 -1.84 -3.38 132.00 124.82 2wda h PRO 712 Ca -0.00 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.79 2wda h PRO 712 Cb 0.28 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.42 2wda h PRO 712 CO 0.01 0.00 -0.45 0.54 -0.21 0.00 0.00 178.00 177.90 2wda n ARG 713 N -2.80 -2.96 0.12 1.05 1.74 -0.56 -4.83 116.66 108.41 2wda n ARG 713 Ca 0.01 0.73 -0.02 0.00 -0.77 0.00 0.00 57.85 57.79 2wda n ARG 713 Cb 0.24 -5.14 0.11 0.00 -1.02 0.00 0.00 32.46 26.66 2wda n ARG 713 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2wda h THR 714 N -0.72 1.50 0.00 0.55 1.35 -1.83 -3.44 112.91 110.31 2wda h THR 714 Ca -0.40 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 2wda h THR 714 Cb 1.28 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 2wda h THR 714 CO 0.44 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 2wda n GLY 715 N 0.46 1.46 3.74 5.82 0.00 -1.21 -4.95 105.19 110.51 2wda n GLY 715 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2wda n GLY 715 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wda s GLU 716 N -0.13 4.41 0.35 1.61 2.02 -1.26 -4.34 118.70 121.36 2wda s GLU 716 Ca 0.00 2.04 -0.27 0.00 0.02 0.00 0.00 54.97 56.75 2wda s GLU 716 Cb 0.00 -3.18 -0.12 0.00 0.10 0.00 0.00 34.13 30.93 2wda s GLU 716 CO 0.00 -0.19 1.24 0.00 0.02 0.00 0.00 175.26 176.33 2wda n ALA 717 N 2.26 1.06 -2.15 5.21 0.00 -1.26 -4.57 120.51 121.06 2wda n ALA 717 Ca 0.05 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 2wda n ALA 717 Cb 0.43 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 2wda n ALA 717 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wda s LEU 718 N -0.90 2.31 0.10 0.00 0.05 -1.08 -4.97 118.68 114.18 2wda s LEU 718 Ca 0.57 -1.07 0.08 0.00 0.05 0.00 0.00 54.13 53.76 2wda s LEU 718 Cb -0.58 0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 43.62 2wda s LEU 718 CO 0.61 -0.58 -0.14 -1.61 -0.55 0.00 0.00 176.35 174.08 2wda s GLU 719 N -3.92 1.96 -0.06 1.48 2.02 -1.26 -0.84 118.70 118.09 2wda s GLU 719 Ca 0.14 -1.09 0.05 0.00 0.02 0.00 0.00 54.97 54.09 2wda s GLU 719 Cb 0.07 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2wda s GLU 719 CO -0.04 0.50 -0.21 0.42 0.02 0.00 0.00 175.26 175.95 2wda s ILE 720 N -1.15 1.75 -0.05 -1.63 -1.09 -0.03 -1.37 121.20 117.63 2wda s ILE 720 Ca 0.19 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 2wda s ILE 720 Cb -0.11 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.27 2wda s ILE 720 CO 0.11 0.49 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.38 2wda s VAL 721 N 0.02 1.98 -0.24 2.92 1.01 -0.29 -0.25 120.40 125.55 2wda s VAL 721 Ca -0.06 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2wda s VAL 721 Cb -0.13 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.63 2wda s VAL 721 CO 0.04 0.55 -0.08 0.86 0.00 0.00 0.00 175.10 176.47 2wda s TRP 722 N -0.24 2.70 -1.15 5.22 -0.00 -0.05 -0.84 118.94 124.58 2wda s TRP 722 Ca -0.01 -1.94 -0.20 0.00 -0.00 0.00 0.00 56.10 53.96 2wda s TRP 722 Cb -0.13 -1.71 -0.05 0.00 -0.00 0.00 0.00 33.47 31.59 2wda s TRP 722 CO 0.03 -0.81 1.95 -3.47 -0.00 0.00 0.00 176.95 174.65 2wda n ASP 723 N 4.59 3.51 -3.68 5.86 2.03 0.32 -1.50 116.55 127.69 2wda n ASP 723 Ca -0.13 -2.77 -0.09 0.00 0.52 0.00 0.00 54.79 52.31 2wda n ASP 723 Cb 0.44 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.20 2wda n ASP 723 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2wda s HIS 724 N 6.09 -0.77 0.33 -0.67 2.46 -1.25 -4.91 115.29 116.58 2wda s HIS 724 Ca 0.57 1.59 -0.29 0.00 0.47 0.00 0.00 55.06 57.40 2wda s HIS 724 Cb 0.08 0.39 -0.11 0.00 -0.13 0.00 0.00 32.58 32.81 2wda s HIS 724 CO 0.07 -0.41 1.54 -2.30 -2.47 0.00 0.00 174.74 171.18 2wda n PRO 725 N 4.24 2.68 -4.01 2.88 -0.02 -1.06 -3.88 135.00 135.82 2wda n PRO 725 Ca -0.22 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2wda n PRO 725 Cb 0.57 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 2wda n PRO 725 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wda s VAL 726 N -0.53 0.23 -0.15 -1.45 -7.23 -0.60 -2.11 120.40 108.57 2wda s VAL 726 Ca 0.59 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 60.29 2wda s VAL 726 Cb -0.49 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2wda s VAL 726 CO 0.56 -0.09 -0.16 0.61 -0.31 0.00 0.00 175.10 175.71 2wda n GLY 727 N 2.59 -0.91 3.32 2.32 0.00 0.60 -1.50 105.19 111.61 2wda n GLY 727 Ca -0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2wda n GLY 727 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wda s ALA 728 N -2.71 0.02 -0.21 4.61 0.00 -1.24 -4.70 121.76 117.53 2wda s ALA 728 Ca -0.18 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2wda s ALA 728 Cb 0.03 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 2wda s ALA 728 CO 0.27 -0.63 0.05 0.08 0.00 0.00 0.00 175.76 175.54 2wda s VAL 729 N -3.96 4.41 0.00 0.00 1.01 -1.26 -0.30 120.40 120.30 2wda s VAL 729 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2wda s VAL 729 Cb 0.04 -3.02 -0.31 0.00 0.00 0.00 0.00 36.38 33.09 2wda s VAL 729 CO -0.01 0.40 0.87 -0.07 0.00 0.00 0.00 175.10 176.29 2wda h LEU 730 N 7.51 0.59 -7.00 3.92 3.38 -1.31 -3.48 115.31 118.91 2wda h LEU 730 Ca -0.37 -0.75 0.03 0.00 0.09 0.00 0.00 57.88 56.88 2wda h LEU 730 Cb 1.18 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.58 2wda h LEU 730 CO 0.62 1.61 0.34 0.00 0.09 0.00 0.00 178.44 181.11 2wda s ARG 731 N -2.61 1.00 -0.12 1.13 1.70 -1.04 -4.98 118.95 114.03 2wda s ARG 731 Ca -0.11 -0.21 -0.14 0.00 -0.47 0.00 0.00 55.73 54.81 2wda s ARG 731 Cb 0.06 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.94 2wda s ARG 731 CO 0.88 -0.40 0.38 0.00 -1.08 0.00 0.00 175.30 175.08 2wda s ALA 732 N -2.75 -0.96 0.69 7.88 0.00 -1.26 -0.32 121.76 125.03 2wda s ALA 732 Ca -0.00 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 2wda s ALA 732 Cb -0.01 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2wda s ALA 732 CO -0.06 -0.20 1.22 -0.25 0.00 0.00 0.00 175.76 176.47 2wda n ASP 733 N 2.57 1.61 0.20 0.00 8.00 -0.77 -4.89 116.55 123.26 2wda n ASP 733 Ca -0.15 0.76 0.17 0.00 0.71 0.00 0.00 54.79 56.29 2wda n ASP 733 Cb 0.57 -1.52 0.82 0.00 -0.02 0.00 0.00 41.12 40.97 2wda n ASP 733 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2wda h GLU 734 N 0.15 0.00 0.00 -1.24 9.09 -2.01 0.22 114.58 120.79 2wda h GLU 734 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2wda h GLU 734 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 2wda h GLU 734 CO 0.51 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.82 2wda n THR 735 N -3.80 0.02 -3.91 -1.06 -2.24 -1.26 -4.76 114.28 97.27 2wda n THR 735 Ca 0.02 0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 2wda n THR 735 Cb 0.34 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 2wda n THR 735 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wda s VAL 736 N -2.27 3.13 -0.14 2.28 1.01 0.07 -0.99 120.40 123.49 2wda s VAL 736 Ca 0.37 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2wda s VAL 736 Cb 0.20 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2wda s VAL 736 CO 0.40 0.16 0.21 -0.70 0.00 0.00 0.00 175.10 175.17 2wda s GLU 737 N 1.36 3.97 -0.21 2.72 2.12 0.21 -4.71 118.70 124.17 2wda s GLU 737 Ca 0.00 -0.03 -0.24 0.00 0.36 0.00 0.00 54.97 55.06 2wda s GLU 737 Cb -0.17 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 2wda s GLU 737 CO -0.03 0.46 0.78 0.42 -0.54 0.00 0.00 175.26 176.35 2wda s ILE 738 N -0.15 4.89 -0.22 -3.70 -1.09 -1.26 -0.47 121.20 119.20 2wda s ILE 738 Ca 0.14 1.50 0.10 0.00 -2.23 0.00 0.00 60.65 60.16 2wda s ILE 738 Cb -0.12 -4.08 -0.21 0.00 -1.58 0.00 0.00 42.46 36.46 2wda s ILE 738 CO 0.03 -0.00 -0.06 0.18 -1.23 0.00 0.00 174.94 173.86 2wda n LEU 739 N 5.58 1.47 -3.57 2.97 4.77 0.14 -4.95 117.00 123.40 2wda n LEU 739 Ca 0.04 -0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 2wda n LEU 739 Cb 0.48 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2wda n LEU 739 CO 0.47 0.71 0.36 0.00 -1.33 0.00 0.00 177.39 177.60 2wda s ALA 740 N -2.51 -1.58 0.22 -1.18 0.00 -0.98 -4.97 121.76 110.76 2wda s ALA 740 Ca -0.22 1.18 0.02 0.00 0.00 0.00 0.00 51.96 52.94 2wda s ALA 740 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2wda s ALA 740 CO 0.72 -0.34 0.06 0.25 0.00 0.00 0.00 175.76 176.45 2wda n THR 741 N 1.12 0.00 0.00 0.00 -2.24 -1.25 -1.31 114.28 110.61 2wda n THR 741 Ca -0.19 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 2wda n THR 741 Cb 0.57 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2wda n THR 741 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wda n GLY 742 N 0.95 1.31 0.18 3.38 0.00 -0.56 -4.54 105.19 105.89 2wda n GLY 742 Ca -0.04 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.04 2wda n GLY 742 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wda h ARG 743 N 0.00 0.00 -3.37 1.61 9.65 -1.88 -1.58 114.38 118.81 2wda h ARG 743 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2wda h ARG 743 Cb 0.00 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.47 2wda h ARG 743 CO 0.00 0.31 -0.02 -0.98 2.80 0.00 0.00 179.97 182.08 2wda s ARG 744 N -3.12 1.28 -0.17 0.20 1.70 -1.25 -2.56 118.95 115.03 2wda s ARG 744 Ca 0.05 -0.84 -0.15 0.00 -0.47 0.00 0.00 55.73 54.32 2wda s ARG 744 Cb 0.07 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 2wda s ARG 744 CO 0.71 -0.53 0.34 -1.17 -1.08 0.00 0.00 175.30 173.56 2wda s LEU 745 N -2.86 4.22 -0.14 -1.89 2.96 -0.56 -3.80 118.68 116.61 2wda s LEU 745 Ca 0.08 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2wda s LEU 745 Cb 0.00 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.28 2wda s LEU 745 CO -0.05 0.05 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.64 2wda s HIS 746 N 0.69 1.84 0.14 5.38 5.65 -0.43 -0.87 115.29 127.70 2wda s HIS 746 Ca 0.18 -1.02 0.09 0.00 0.25 0.00 0.00 55.06 54.56 2wda s HIS 746 Cb -0.14 -1.41 -0.04 0.00 -1.18 0.00 0.00 32.58 29.81 2wda s HIS 746 CO 0.06 -0.60 -0.20 -0.51 -0.65 0.00 0.00 174.74 172.83 2wda s LEU 747 N 1.59 2.38 -0.06 8.88 1.43 0.66 0.27 118.68 133.83 2wda s LEU 747 Ca 0.04 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 2wda s LEU 747 Cb -0.13 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 2wda s LEU 747 CO -0.09 0.03 -0.22 -0.60 0.23 0.00 0.00 176.35 175.70 2wda s ARG 748 N -2.43 2.40 -0.10 1.70 3.52 0.39 -0.85 118.95 123.57 2wda s ARG 748 Ca 0.13 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2wda s ARG 748 Cb -0.08 -1.98 0.02 0.00 -1.56 0.00 0.00 34.95 31.35 2wda s ARG 748 CO 0.06 0.28 -0.10 0.08 -0.81 0.00 0.00 175.30 174.81 2wda s VAL 749 N 0.05 1.17 -0.58 7.11 1.01 -0.02 0.67 120.40 129.80 2wda s VAL 749 Ca -0.08 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 2wda s VAL 749 Cb -0.14 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.14 2wda s VAL 749 CO 0.04 0.38 1.08 0.42 0.00 0.00 0.00 175.10 177.03 2wda s THR 750 N 1.33 4.17 -0.58 3.92 -4.23 -0.16 -2.64 115.64 117.46 2wda s THR 750 Ca -0.01 0.53 0.24 0.00 -1.18 0.00 0.00 61.69 61.27 2wda s THR 750 Cb -0.14 -4.66 0.16 0.00 1.34 0.00 0.00 72.50 69.20 2wda s THR 750 CO -0.05 -1.29 1.46 1.55 -0.54 0.00 0.00 174.62 175.75 2wda h PRO 751 N 9.48 0.00 0.00 3.99 0.13 -1.81 -3.45 132.00 140.35 2wda h PRO 751 Ca -0.26 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 2wda h PRO 751 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2wda h PRO 751 CO 1.15 0.00 -0.05 0.41 -0.23 0.00 0.00 178.00 179.28 2wda n GLY 752 N 1.27 -1.93 0.11 1.56 0.00 -1.26 -4.47 105.19 100.46 2wda n GLY 752 Ca 0.04 -1.36 0.04 0.00 0.00 0.00 0.00 46.02 44.73 2wda n GLY 752 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wda n VAL 753 N -1.01 0.99 -0.72 1.61 0.24 -1.26 -3.35 118.33 114.83 2wda n VAL 753 Ca 0.00 -1.13 0.07 0.00 -2.04 0.00 0.00 64.34 61.25 2wda n VAL 753 Cb 0.06 0.32 0.15 0.00 -1.47 0.00 0.00 33.84 32.91 2wda n VAL 753 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2wda n VAL 754 N -0.67 1.72 -3.38 3.34 0.24 -1.26 -4.83 118.33 113.49 2wda n VAL 754 Ca 0.06 -1.73 -0.18 0.00 -2.04 0.00 0.00 64.34 60.44 2wda n VAL 754 Cb 0.50 -0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.94 2wda n VAL 754 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wda s THR 756 N -3.30 3.89 -0.21 0.00 2.01 -1.26 -4.84 115.64 111.93 2wda s THR 756 Ca 0.28 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.39 2wda s THR 756 Cb -0.12 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2wda s THR 756 CO 0.65 -0.15 0.47 -0.89 -0.69 0.00 0.00 174.62 174.00 2wda s THR 757 N -1.89 5.14 -0.07 -0.82 2.01 -1.26 -4.37 115.64 114.38 2wda s THR 757 Ca 0.62 0.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.43 2wda s THR 757 Cb -0.17 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2wda s THR 757 CO 0.21 0.19 0.08 -1.00 -0.69 0.00 0.00 174.62 173.42 2wda s HIS 758 N 1.62 3.37 0.23 4.92 4.02 0.06 -4.89 115.29 124.61 2wda s HIS 758 Ca 0.21 0.32 0.08 0.00 1.02 0.00 0.00 55.06 56.69 2wda s HIS 758 Cb -0.15 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.58 29.53 2wda s HIS 758 CO 0.09 0.59 -0.13 -1.83 1.02 0.00 0.00 174.74 174.48 2wda s GLU 759 N -1.27 1.41 -0.19 1.40 -1.05 -1.26 -1.19 118.70 116.55 2wda s GLU 759 Ca 0.18 -1.65 -0.10 0.00 -0.15 0.00 0.00 54.97 53.24 2wda s GLU 759 Cb -0.12 -1.19 0.07 0.00 -0.44 0.00 0.00 34.13 32.45 2wda s GLU 759 CO 0.08 0.17 0.47 0.00 0.95 0.00 0.00 175.26 176.92 2wda s GLU 761 N 1.53 2.61 0.06 0.00 2.12 0.56 0.06 118.70 125.65 2wda s GLU 761 Ca -0.09 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.39 2wda s GLU 761 Cb -0.08 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 2wda s GLU 761 CO -0.14 0.41 -0.04 0.14 -0.54 0.00 0.00 175.26 175.08 2wda s VAL 762 N -0.21 0.39 -0.01 3.70 -7.23 0.99 -0.82 120.40 117.21 2wda s VAL 762 Ca -0.02 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.19 2wda s VAL 762 Cb -0.13 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 2wda s VAL 762 CO 0.03 -0.90 0.58 -0.89 -0.31 0.00 0.00 175.10 173.62 2wda s THR 763 N -3.54 4.92 0.20 5.32 2.01 0.59 -1.30 115.64 123.83 2wda s THR 763 Ca 0.06 1.21 -0.10 0.00 0.31 0.00 0.00 61.69 63.18 2wda s THR 763 Cb 0.05 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 2wda s THR 763 CO -0.07 0.43 0.52 -0.76 -0.69 0.00 0.00 174.62 174.04 2wda s LEU 764 N -0.22 4.22 0.00 4.42 1.43 0.61 -0.29 118.68 128.85 2wda s LEU 764 Ca 0.30 0.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.35 2wda s LEU 764 Cb -0.18 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.55 2wda s LEU 764 CO 0.17 -0.01 0.65 -1.20 0.23 0.00 0.00 176.35 176.18