#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xea s LEU 3 N 0.00 2.37 -0.15 2.46 1.43 -0.16 -5.03 118.68 119.61 1xea s LEU 3 Ca 0.00 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1xea s LEU 3 Cb 0.00 0.16 0.04 0.00 0.03 0.00 0.00 46.19 46.42 1xea s LEU 3 CO 0.00 -0.47 -0.03 -0.75 0.23 0.00 0.00 176.35 175.34 1xea s LYS 4 N -2.83 1.12 -0.03 1.70 2.20 -1.26 -1.02 119.74 119.63 1xea s LYS 4 Ca -0.03 -0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 1xea s LYS 4 Cb -0.00 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 1xea s LYS 4 CO -0.06 -0.43 -0.16 0.42 -0.36 0.00 0.00 175.35 174.75 1xea s ILE 5 N 1.75 2.89 0.00 5.43 1.09 -0.21 -0.55 121.20 131.61 1xea s ILE 5 Ca 0.02 -0.85 0.00 0.00 -1.10 0.00 0.00 60.65 58.72 1xea s ILE 5 Cb -0.15 -2.13 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 1xea s ILE 5 CO -0.07 0.55 0.00 0.00 -0.10 0.00 0.00 174.94 175.32 1xea n ALA 6 N 2.20 0.00 -3.48 9.38 0.00 -0.25 -1.79 120.51 126.57 1xea n ALA 6 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1xea n ALA 6 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1xea n ALA 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xea s ILE 8 N 2.00 -0.10 0.00 0.00 1.09 -1.26 -4.28 121.20 118.66 1xea s ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1xea s ILE 8 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1xea s ILE 8 CO 0.00 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.45 1xea n GLY 9 N 3.93 -2.06 3.14 6.18 0.00 -0.27 -0.87 105.19 115.23 1xea n GLY 9 Ca -0.13 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1xea n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xea n LEU 10 N 0.00 5.29 0.00 0.99 4.77 -1.26 -3.79 117.00 123.00 1xea n LEU 10 Ca 0.00 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 1xea n LEU 10 Cb 0.00 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1xea n LEU 10 CO 0.00 1.53 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 1xea n GLY 11 N 2.13 1.24 0.14 -0.72 0.00 -1.26 -4.79 105.19 101.93 1xea n GLY 11 Ca 0.24 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 1xea n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xea h ASP 12 N 0.00 0.73 -0.23 1.61 1.82 -1.95 -2.81 116.42 115.59 1xea h ASP 12 Ca 0.00 -0.90 -0.07 0.00 -0.39 0.00 0.00 57.03 55.67 1xea h ASP 12 Cb 0.00 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 1xea h ASP 12 CO 0.00 1.57 -0.12 -0.29 -1.61 0.00 0.00 179.24 178.79 1xea h ILE 13 N 0.00 1.30 -0.88 2.25 6.09 -1.94 0.17 117.51 124.50 1xea h ILE 13 Ca -0.20 -1.20 0.04 0.00 -1.37 0.00 0.00 64.86 62.13 1xea h ILE 13 Cb 1.91 1.60 -0.05 0.00 0.47 0.00 0.00 36.82 40.75 1xea h ILE 13 CO 0.22 0.37 0.58 0.00 -3.07 0.00 0.00 178.15 176.25 1xea h ALA 14 N 0.71 1.47 0.07 0.18 0.00 -1.88 0.19 119.26 120.01 1xea h ALA 14 Ca 0.05 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1xea h ALA 14 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xea h ALA 14 CO 0.04 0.43 -1.14 1.96 0.00 0.00 0.00 179.25 180.54 1xea h GLN 15 N 1.07 0.16 0.05 0.00 4.20 -1.31 0.41 115.11 119.69 1xea h GLN 15 Ca 0.36 -0.27 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 1xea h GLN 15 Cb 0.07 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1xea h GLN 15 CO -0.12 1.13 -1.27 0.87 -0.67 0.00 0.00 178.83 178.77 1xea h LYS 16 N 0.04 0.12 0.00 1.46 1.57 -0.17 -3.41 116.57 116.18 1xea h LYS 16 Ca -0.08 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1xea h LYS 16 Cb 1.88 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1xea h LYS 16 CO 0.17 1.00 -0.32 0.00 -0.57 0.00 0.00 179.45 179.73 1xea n ALA 17 N -2.49 3.00 0.20 3.86 0.00 0.63 -4.82 120.51 120.89 1xea n ALA 17 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1xea n ALA 17 Cb 1.00 0.32 -0.08 0.00 0.00 0.00 0.00 19.45 20.69 1xea n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1xea h TYR 18 N 0.00 -0.48 0.16 0.00 -1.99 -1.45 -2.21 116.97 111.00 1xea h TYR 18 Ca 0.00 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.74 1xea h TYR 18 Cb 0.32 0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 1xea h TYR 18 CO 0.00 -0.17 -0.37 -0.07 -0.00 0.00 0.00 178.16 177.55 1xea h LEU 19 N -0.76 -1.06 -0.79 3.88 3.38 -0.45 -0.46 115.31 119.05 1xea h LEU 19 Ca -0.05 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1xea h LEU 19 Cb 0.52 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 1xea h LEU 19 CO 0.09 -0.46 0.41 1.55 0.09 0.00 0.00 178.44 180.12 1xea h PRO 20 N -0.62 0.64 -0.50 1.13 0.13 -1.78 0.37 132.00 131.37 1xea h PRO 20 Ca 0.02 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1xea h PRO 20 Cb 0.64 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1xea h PRO 20 CO -0.19 0.43 0.27 0.28 -0.23 0.00 0.00 178.00 178.55 1xea h VAL 21 N 0.66 1.18 -0.00 1.56 2.07 -0.83 -2.77 116.25 118.11 1xea h VAL 21 Ca 0.40 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xea h VAL 21 Cb 0.45 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xea h VAL 21 CO -0.29 0.19 -0.19 0.18 0.02 0.00 0.00 177.57 177.47 1xea n LEU 22 N -4.65 0.22 0.08 2.57 4.77 -0.23 -3.63 117.00 116.13 1xea n LEU 22 Ca 0.02 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.24 1xea n LEU 22 Cb 0.09 -0.38 0.19 0.00 -2.33 0.00 0.00 43.42 40.99 1xea n LEU 22 CO 0.36 0.05 0.60 0.00 -1.33 0.00 0.00 177.39 177.08 1xea h ALA 23 N 3.06 1.03 -0.09 -1.18 0.00 0.02 -3.15 119.26 118.94 1xea h ALA 23 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xea h ALA 23 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xea h ALA 23 CO 0.00 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1xea n GLN 24 N -3.99 1.59 -2.03 0.00 0.00 -1.24 -4.97 117.38 106.74 1xea n GLN 24 Ca -0.02 -1.64 -0.42 0.00 0.00 0.00 0.00 57.00 54.92 1xea n GLN 24 Cb 0.51 -1.34 -0.03 0.00 0.00 0.00 0.00 30.24 29.38 1xea n GLN 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1xea s TRP 25 N -1.37 3.13 0.26 2.61 0.52 -1.19 -4.98 118.94 117.92 1xea s TRP 25 Ca 0.22 0.81 -0.29 0.00 0.02 0.00 0.00 56.10 56.86 1xea s TRP 25 Cb 0.15 -3.82 -0.09 0.00 -1.15 0.00 0.00 33.47 28.56 1xea s TRP 25 CO 0.22 -2.92 0.98 -1.25 0.02 0.00 0.00 176.95 174.00 1xea s PRO 26 N 0.89 4.75 -0.98 4.98 0.04 -1.26 -3.89 135.00 139.53 1xea s PRO 26 Ca 0.66 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 1xea s PRO 26 Cb -0.41 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1xea s PRO 26 CO 0.33 0.40 0.50 -0.25 0.04 0.00 0.00 177.00 178.01 1xea n ASP 27 N 1.27 -4.63 -3.63 6.66 9.92 -1.26 -4.96 116.55 119.92 1xea n ASP 27 Ca -0.01 -0.23 -0.23 0.00 -0.53 0.00 0.00 54.79 53.79 1xea n ASP 27 Cb 0.47 -3.42 -0.17 0.00 -0.64 0.00 0.00 41.12 37.36 1xea n ASP 27 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xea s ILE 28 N -3.02 -0.12 -0.16 0.53 1.01 -1.25 -0.98 121.20 117.21 1xea s ILE 28 Ca 0.25 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.93 1xea s ILE 28 Cb -0.11 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1xea s ILE 28 CO 0.31 -0.07 0.12 -0.70 0.00 0.00 0.00 174.94 174.60 1xea s GLU 29 N 2.17 3.76 0.20 2.79 2.12 -0.19 -4.94 118.70 124.62 1xea s GLU 29 Ca 0.03 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.21 1xea s GLU 29 Cb -0.14 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1xea s GLU 29 CO -0.07 0.53 0.22 -0.51 -0.54 0.00 0.00 175.26 174.90 1xea s LEU 30 N -0.33 4.01 -0.54 2.70 1.43 -1.26 -1.04 118.68 123.65 1xea s LEU 30 Ca 0.11 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1xea s LEU 30 Cb -0.12 -2.58 0.17 0.00 0.03 0.00 0.00 46.19 43.70 1xea s LEU 30 CO 0.01 0.01 0.42 0.52 0.23 0.00 0.00 176.35 177.54 1xea n VAL 31 N -0.81 0.09 -1.68 -1.59 0.31 -0.74 -4.30 118.33 109.62 1xea n VAL 31 Ca -0.08 -4.10 -0.45 0.00 -0.01 0.00 0.00 64.34 59.71 1xea n VAL 31 Cb 0.56 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.55 1xea n VAL 31 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xea n LEU 32 N 2.39 3.66 -3.92 7.52 4.77 -0.66 -4.66 117.00 126.10 1xea n LEU 32 Ca 0.25 1.00 -0.20 0.00 -0.03 0.00 0.00 56.01 57.04 1xea n LEU 32 Cb 0.42 -1.47 -0.16 0.00 -2.33 0.00 0.00 43.42 39.88 1xea n LEU 32 CO 0.17 0.00 -0.42 0.00 -1.33 0.00 0.00 177.39 175.81 1xea s THR 34 N 0.76 0.00 0.00 0.00 -1.32 -1.24 -1.11 115.64 112.73 1xea s THR 34 Ca -0.11 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1xea s THR 34 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1xea s THR 34 CO 0.01 0.00 0.64 0.54 -2.21 0.00 0.00 174.62 173.60 1xea n ARG 35 N 0.83 0.00 -1.69 7.08 5.12 -1.26 -4.52 116.66 122.22 1xea n ARG 35 Ca -0.10 0.41 -0.53 0.00 -1.93 0.00 0.00 57.85 55.70 1xea n ARG 35 Cb 0.58 -1.14 -0.06 0.00 -1.16 0.00 0.00 32.46 30.67 1xea n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1xea n ASN 36 N -1.27 2.70 -0.05 0.55 2.85 -1.26 -4.90 115.26 113.88 1xea n ASN 36 Ca 0.00 1.05 -0.14 0.00 -0.11 0.00 0.00 54.58 55.38 1xea n ASN 36 Cb 0.00 -1.24 -0.08 0.00 1.24 0.00 0.00 39.78 39.70 1xea n ASN 36 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xea h PRO 37 N 7.49 0.37 -0.18 1.20 0.13 -1.97 -3.00 132.00 136.03 1xea h PRO 37 Ca -0.47 -0.22 0.02 0.00 -0.87 0.00 0.00 66.00 64.45 1xea h PRO 37 Cb 1.30 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1xea h PRO 37 CO 0.93 0.81 -0.22 0.87 -0.23 0.00 0.00 178.00 180.17 1xea h LYS 38 N -0.04 -0.13 -0.38 0.86 1.57 -1.97 -1.62 116.57 114.85 1xea h LYS 38 Ca 0.01 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1xea h LYS 38 Cb 0.78 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.04 1xea h LYS 38 CO 0.05 -0.09 -0.21 0.28 -0.57 0.00 0.00 179.45 178.91 1xea h VAL 39 N -0.13 0.41 -0.03 0.50 2.07 -1.98 -2.48 116.25 114.61 1xea h VAL 39 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1xea h VAL 39 Cb 0.22 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1xea h VAL 39 CO -0.24 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.57 1xea h LEU 40 N -0.14 -0.08 -0.69 2.57 5.85 -1.18 -1.00 115.31 120.63 1xea h LEU 40 Ca 0.19 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.06 1xea h LEU 40 Cb 0.43 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 1xea h LEU 40 CO -0.47 -0.01 0.18 1.23 -0.34 0.00 0.00 178.44 179.03 1xea h GLY 41 N -0.01 0.95 0.15 3.75 0.00 -1.19 0.20 103.07 106.92 1xea h GLY 41 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1xea h GLY 41 CO -0.03 -0.15 -0.32 -0.84 0.00 0.00 0.00 176.54 175.20 1xea h THR 42 N 0.30 0.29 -0.56 4.70 2.02 -0.92 0.26 112.91 119.00 1xea h THR 42 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 1xea h THR 42 Cb 0.60 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1xea h THR 42 CO -0.45 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 175.68 1xea h LEU 43 N -0.39 0.69 -1.77 2.58 3.38 -0.16 0.28 115.31 119.91 1xea h LEU 43 Ca 0.10 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xea h LEU 43 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xea h LEU 43 CO -0.36 0.58 0.18 0.00 0.09 0.00 0.00 178.44 178.94 1xea h ALA 44 N 1.14 1.88 0.19 1.53 0.00 0.24 -0.17 119.26 124.06 1xea h ALA 44 Ca 0.20 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1xea h ALA 44 Cb 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xea h ALA 44 CO -0.03 0.09 -1.41 1.15 0.00 0.00 0.00 179.25 179.05 1xea h THR 45 N 0.30 1.18 -0.71 0.00 2.02 0.15 0.43 112.91 116.29 1xea h THR 45 Ca 0.11 -2.55 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 1xea h THR 45 Cb 0.05 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 1xea h THR 45 CO -0.02 0.78 0.41 -0.09 0.37 0.00 0.00 175.52 176.97 1xea h ARG 46 N -0.06 0.97 -0.29 6.66 2.43 -0.04 -2.51 114.38 121.53 1xea h ARG 46 Ca -0.27 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1xea h ARG 46 Cb 1.96 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1xea h ARG 46 CO 0.18 0.71 0.00 0.66 -1.51 0.00 0.00 179.97 180.01 1xea n TYR 47 N -4.51 0.37 -3.48 2.20 4.02 -0.12 -4.99 117.16 110.65 1xea n TYR 47 Ca 0.06 -0.19 -0.18 0.00 -0.01 0.00 0.00 57.90 57.58 1xea n TYR 47 Cb 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.41 1xea n TYR 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xea n ARG 48 N 1.20 -1.39 -4.95 -0.72 1.74 -0.74 -5.01 116.66 106.79 1xea n ARG 48 Ca 0.18 0.91 -0.32 0.00 -0.77 0.00 0.00 57.85 57.84 1xea n ARG 48 Cb 0.54 -4.29 -0.15 0.00 -1.02 0.00 0.00 32.46 27.55 1xea n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xea s VAL 49 N -3.18 2.78 -0.08 1.55 1.01 0.14 -5.02 120.40 117.61 1xea s VAL 49 Ca 0.19 -0.79 0.12 0.00 0.00 0.00 0.00 61.98 61.50 1xea s VAL 49 Cb -0.06 -2.10 -0.24 0.00 0.00 0.00 0.00 36.38 33.98 1xea s VAL 49 CO 0.83 0.56 0.52 -0.24 0.00 0.00 0.00 175.10 176.77 1xea n SER 50 N 3.00 0.81 -4.55 3.32 2.88 -1.26 -4.68 113.62 113.13 1xea n SER 50 Ca -0.18 0.32 -0.38 0.00 -1.33 0.00 0.00 58.87 57.30 1xea n SER 50 Cb 0.52 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 1xea n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xea s ALA 51 N -2.57 2.46 0.48 -1.46 0.00 -1.26 -4.98 121.76 114.43 1xea s ALA 51 Ca -0.07 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 50.51 1xea s ALA 51 Cb 0.08 -4.38 0.03 0.00 0.00 0.00 0.00 23.12 18.85 1xea s ALA 51 CO 0.82 -3.72 0.67 0.99 0.00 0.00 0.00 175.76 174.52 1xea s THR 52 N 6.90 2.75 0.00 0.00 2.01 -1.26 -1.65 115.64 124.39 1xea s THR 52 Ca 0.50 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1xea s THR 52 Cb -0.07 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1xea s THR 52 CO 0.08 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.01 1xea n THR 54 N -0.01 0.00 -3.82 0.00 5.66 -1.26 -3.61 114.28 111.23 1xea n THR 54 Ca 0.00 -0.19 -0.20 0.00 -3.05 0.00 0.00 64.05 60.60 1xea n THR 54 Cb 0.00 1.25 -0.17 0.00 -1.55 0.00 0.00 70.33 69.86 1xea n THR 54 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xea s ASP 55 N -0.23 1.11 0.11 1.09 2.15 -1.26 -4.42 116.67 115.21 1xea s ASP 55 Ca 0.00 -0.04 0.06 0.00 0.43 0.00 0.00 52.55 53.00 1xea s ASP 55 Cb 0.00 -0.31 0.30 0.00 -0.30 0.00 0.00 42.92 42.61 1xea s ASP 55 CO 0.00 -0.17 1.06 0.00 -0.17 0.00 0.00 175.17 175.89 1xea n TYR 56 N 4.80 0.19 0.00 -5.34 0.18 -1.26 -0.27 117.16 115.47 1xea n TYR 56 Ca -0.13 0.10 -0.10 0.00 1.88 0.00 0.00 57.90 59.65 1xea n TYR 56 Cb 0.50 -0.53 -0.14 0.00 -0.38 0.00 0.00 39.34 38.80 1xea n TYR 56 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1xea h ARG 57 N 0.00 0.04 -1.04 -3.48 3.08 -2.03 -3.31 114.38 107.64 1xea h ARG 57 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1xea h ARG 57 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1xea h ARG 57 CO 0.00 0.68 0.00 -0.25 -1.07 0.00 0.00 179.97 179.33 1xea n ASP 58 N -3.16 2.14 -0.03 7.04 10.43 0.63 -3.84 116.55 129.76 1xea n ASP 58 Ca -0.14 -1.79 -0.17 0.00 2.57 0.00 0.00 54.79 55.26 1xea n ASP 58 Cb 1.03 -0.45 -0.14 0.00 1.84 0.00 0.00 41.12 43.40 1xea n ASP 58 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1xea n VAL 59 N 0.40 1.66 0.99 2.53 0.31 -1.25 -4.14 118.33 118.84 1xea n VAL 59 Ca 0.00 -0.70 0.07 0.00 -0.01 0.00 0.00 64.34 63.71 1xea n VAL 59 Cb 0.38 -1.40 0.44 0.00 -0.91 0.00 0.00 33.84 32.36 1xea n VAL 59 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xea n LEU 60 N -3.27 0.00 -0.16 7.52 -0.00 -1.25 -1.82 117.00 118.02 1xea n LEU 60 Ca -0.30 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.72 1xea n LEU 60 Cb 1.05 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.51 1xea n LEU 60 CO 0.41 0.00 0.53 0.00 -0.00 0.00 0.00 177.39 178.33 1xea n GLN 61 N -0.97 1.20 0.00 1.96 6.02 -1.26 -3.01 117.38 121.32 1xea n GLN 61 Ca 0.11 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1xea n GLN 61 Cb 0.05 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1xea n GLN 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1xea n TYR 62 N -0.25 0.00 -3.93 1.08 4.02 -0.75 -5.04 117.16 112.29 1xea n TYR 62 Ca 0.03 -0.13 -0.33 0.00 -0.01 0.00 0.00 57.90 57.46 1xea n TYR 62 Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1xea n TYR 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xea n GLY 63 N -0.13 -0.63 3.79 2.72 0.00 -1.16 -4.92 105.19 104.86 1xea n GLY 63 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1xea n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xea s VAL 64 N -3.73 3.49 -0.36 1.61 1.01 -1.26 -4.94 120.40 116.22 1xea s VAL 64 Ca 0.29 0.72 0.22 0.00 0.00 0.00 0.00 61.98 63.22 1xea s VAL 64 Cb -0.13 -3.25 -0.14 0.00 0.00 0.00 0.00 36.38 32.87 1xea s VAL 64 CO 0.91 -0.40 0.89 0.47 0.00 0.00 0.00 175.10 176.97 1xea n ASP 65 N -2.11 0.53 -3.59 3.32 8.00 0.29 -5.00 116.55 117.99 1xea n ASP 65 Ca 0.10 -0.02 -0.04 0.00 0.71 0.00 0.00 54.79 55.53 1xea n ASP 65 Cb 0.52 1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 42.61 1xea n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xea s ALA 66 N -3.32 -2.07 0.00 2.24 0.00 -1.23 -4.18 121.76 113.19 1xea s ALA 66 Ca -0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1xea s ALA 66 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1xea s ALA 66 CO 0.83 -0.59 0.00 1.33 0.00 0.00 0.00 175.76 177.32 1xea n VAL 67 N -0.09 0.00 -3.50 0.00 0.24 -0.65 -1.09 118.33 113.25 1xea n VAL 67 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 1xea n VAL 67 Cb 0.58 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 1xea n VAL 67 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xea s ILE 69 N 1.41 -0.89 -0.14 1.34 1.09 0.39 -1.17 121.20 123.23 1xea s ILE 69 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 60.65 59.73 1xea s ILE 69 Cb 0.00 -1.00 0.32 0.00 -1.06 0.00 0.00 42.46 40.72 1xea s ILE 69 CO 0.00 0.00 1.19 1.41 -0.10 0.00 0.00 174.94 177.44 1xea n HIS 70 N 5.36 0.17 -1.28 3.97 8.25 -0.05 -3.10 115.22 128.54 1xea n HIS 70 Ca -0.09 -0.96 -0.15 0.00 -0.26 0.00 0.00 57.72 56.26 1xea n HIS 70 Cb 0.50 -0.17 0.11 0.00 1.12 0.00 0.00 29.99 31.55 1xea n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xea n ALA 71 N -1.23 -1.02 -0.91 -1.41 0.00 -1.25 -4.44 120.51 110.26 1xea n ALA 71 Ca 0.16 -0.85 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 1xea n ALA 71 Cb 0.67 -0.05 0.18 0.00 0.00 0.00 0.00 19.45 20.25 1xea n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xea s ALA 72 N -3.73 0.81 0.18 0.00 0.00 -1.26 -4.87 121.76 112.90 1xea s ALA 72 Ca 0.37 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 1xea s ALA 72 Cb -0.02 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.94 1xea s ALA 72 CO 0.27 -2.96 1.65 1.15 0.00 0.00 0.00 175.76 175.87 1xea h THR 73 N -1.99 1.27 0.00 0.00 2.02 -1.96 -2.91 112.91 109.33 1xea h THR 73 Ca -0.53 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1xea h THR 73 Cb 1.30 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1xea h THR 73 CO 0.52 0.42 0.00 -2.24 0.37 0.00 0.00 175.52 174.58 1xea h ASP 74 N 1.00 0.00 -0.17 4.18 3.04 -1.97 -1.89 116.42 120.61 1xea h ASP 74 Ca 0.18 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.97 1xea h ASP 74 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 1xea h ASP 74 CO 0.03 0.00 0.00 1.33 -2.04 0.00 0.00 179.24 178.56 1xea n VAL 75 N -2.98 0.69 0.47 4.15 0.24 -1.13 -4.72 118.33 115.05 1xea n VAL 75 Ca -0.03 -0.84 -0.19 0.00 -2.04 0.00 0.00 64.34 61.24 1xea n VAL 75 Cb 0.07 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.05 1xea n VAL 75 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1xea h HIS 76 N 1.46 -1.10 0.02 6.34 3.86 -1.15 -2.94 115.15 121.63 1xea h HIS 76 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1xea h HIS 76 Cb 0.56 0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 1xea h HIS 76 CO 0.11 -0.68 -0.16 0.77 0.86 0.00 0.00 177.93 178.83 1xea h SER 77 N -1.25 -0.50 -0.84 2.45 0.02 -1.79 0.17 113.55 111.80 1xea h SER 77 Ca -0.12 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1xea h SER 77 Cb 0.92 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 63.53 1xea h SER 77 CO 0.20 -0.17 -0.43 0.41 -1.14 0.00 0.00 176.83 175.70 1xea n THR 78 N -3.39 -0.52 -0.15 -2.27 -1.04 -1.25 -0.06 114.28 105.60 1xea n THR 78 Ca -0.02 2.01 -0.09 0.00 -2.04 0.00 0.00 64.05 63.91 1xea n THR 78 Cb 0.13 -2.56 -0.00 0.00 -1.82 0.00 0.00 70.33 66.07 1xea n THR 78 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1xea h LEU 79 N 0.00 0.63 -1.11 -4.42 3.38 -1.34 -2.10 115.31 110.35 1xea h LEU 79 Ca 0.20 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1xea h LEU 79 Cb 0.41 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1xea h LEU 79 CO -0.81 0.68 0.61 0.00 0.09 0.00 0.00 178.44 179.01 1xea h ALA 80 N 0.98 1.49 -0.15 1.53 0.00 0.25 -2.30 119.26 121.06 1xea h ALA 80 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1xea h ALA 80 Cb 0.28 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xea h ALA 80 CO -0.00 0.37 -0.77 0.00 0.00 0.00 0.00 179.25 178.84 1xea h ALA 81 N 1.50 0.35 -0.95 0.00 0.00 -0.31 -2.23 119.26 117.62 1xea h ALA 81 Ca 0.40 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xea h ALA 81 Cb 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1xea h ALA 81 CO -0.16 0.69 0.58 0.35 0.00 0.00 0.00 179.25 180.72 1xea h PHE 82 N 0.52 1.06 0.00 0.00 3.57 -0.81 0.11 116.94 121.39 1xea h PHE 82 Ca -0.05 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.23 1xea h PHE 82 Cb 1.40 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1xea h PHE 82 CO 0.08 0.44 -1.43 0.74 -2.23 0.00 0.00 178.31 175.92 1xea h PHE 83 N 0.96 0.00 0.00 0.41 -1.00 -1.54 -3.15 116.94 112.62 1xea h PHE 83 Ca 0.46 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.16 1xea h PHE 83 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1xea h PHE 83 CO -0.02 0.96 -0.38 -0.07 -1.61 0.00 0.00 178.31 177.19 1xea h LEU 84 N 0.00 0.00 0.50 1.54 3.38 -0.99 0.21 115.31 119.96 1xea h LEU 84 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1xea h LEU 84 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1xea h LEU 84 CO 0.09 0.38 -0.24 0.45 0.09 0.00 0.00 178.44 179.21 1xea h HIS 85 N 0.00 -0.63 0.00 1.13 3.86 -0.86 -2.89 115.15 115.76 1xea h HIS 85 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1xea h HIS 85 Cb 0.87 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1xea h HIS 85 CO 0.00 -0.39 0.24 -0.07 0.86 0.00 0.00 177.93 178.57 1xea h LEU 86 N -0.88 0.00 -1.79 2.43 3.38 -1.52 -3.45 115.31 113.48 1xea h LEU 86 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xea h LEU 86 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xea h LEU 86 CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1xea n GLY 87 N -1.23 0.64 2.92 0.83 0.00 -0.59 -5.09 105.19 102.67 1xea n GLY 87 Ca -0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1xea n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xea s ILE 88 N -2.60 0.69 0.15 -0.61 -1.09 0.64 -5.00 121.20 113.38 1xea s ILE 88 Ca 0.00 -0.20 -0.32 0.00 -2.23 0.00 0.00 60.65 57.90 1xea s ILE 88 Cb 0.00 -0.69 -0.12 0.00 -1.58 0.00 0.00 42.46 40.07 1xea s ILE 88 CO 0.00 0.26 1.77 -2.65 -1.23 0.00 0.00 174.94 173.10 1xea n PRO 89 N 4.11 2.70 -4.91 2.79 -0.02 -1.26 -4.24 135.00 134.17 1xea n PRO 89 Ca -0.23 0.98 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 1xea n PRO 89 Cb 0.51 -2.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.02 1xea n PRO 89 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xea s THR 90 N 2.02 3.00 -0.16 3.45 2.01 -0.53 -1.63 115.64 123.81 1xea s THR 90 Ca 0.80 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1xea s THR 90 Cb -0.52 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1xea s THR 90 CO 0.36 0.59 -0.17 0.12 -0.69 0.00 0.00 174.62 174.83 1xea s PHE 91 N -0.67 2.77 -0.01 4.92 5.36 -0.32 -0.95 117.98 129.08 1xea s PHE 91 Ca 0.10 -1.16 0.06 0.00 -0.96 0.00 0.00 56.93 54.97 1xea s PHE 91 Cb -0.11 -1.89 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1xea s PHE 91 CO 0.01 -0.54 -0.18 0.08 -1.46 0.00 0.00 175.22 173.13 1xea s VAL 92 N 0.90 1.43 0.28 3.12 1.01 0.60 -0.46 120.40 127.26 1xea s VAL 92 Ca -0.04 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 1xea s VAL 92 Cb -0.15 -1.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 1xea s VAL 92 CO -0.02 0.38 0.93 -0.62 0.00 0.00 0.00 175.10 175.77 1xea s ASP 93 N -0.49 7.47 0.33 3.32 -1.08 -1.18 0.17 116.67 125.19 1xea s ASP 93 Ca 0.07 1.87 -0.29 0.00 -0.52 0.00 0.00 52.55 53.68 1xea s ASP 93 Cb -0.07 -2.59 -0.12 0.00 -1.46 0.00 0.00 42.92 38.68 1xea s ASP 93 CO -0.00 0.04 1.43 2.29 0.52 0.00 0.00 175.17 179.45 1xea n LYS 94 N 1.00 2.39 -2.88 4.34 -0.00 -1.23 -3.98 118.16 117.79 1xea n LYS 94 Ca -0.00 0.84 -0.31 0.00 -0.00 0.00 0.00 58.31 58.84 1xea n LYS 94 Cb 0.49 -2.52 -0.04 0.00 -0.00 0.00 0.00 35.03 32.96 1xea n LYS 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xea s PRO 95 N -1.42 3.84 0.12 -1.58 0.04 -1.25 -4.99 135.00 129.76 1xea s PRO 95 Ca 0.59 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1xea s PRO 95 Cb -0.54 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1xea s PRO 95 CO 0.58 -0.01 1.68 1.25 0.04 0.00 0.00 177.00 180.53 1xea h LEU 96 N 1.44 -0.40 -8.85 -3.56 5.85 -1.89 -3.46 115.31 104.45 1xea h LEU 96 Ca -0.47 0.07 -0.42 0.00 0.84 0.00 0.00 57.88 57.90 1xea h LEU 96 Cb 1.18 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 42.26 1xea h LEU 96 CO 0.64 -0.18 -0.52 0.00 -0.34 0.00 0.00 178.44 178.03 1xea s ALA 97 N -6.15 1.73 -1.29 1.25 0.00 -1.26 -4.52 121.76 111.52 1xea s ALA 97 Ca -0.14 -1.96 0.27 0.00 0.00 0.00 0.00 51.96 50.13 1xea s ALA 97 Cb 0.09 1.44 0.92 0.00 0.00 0.00 0.00 23.12 25.57 1xea s ALA 97 CO 0.67 -0.64 1.69 0.00 0.00 0.00 0.00 175.76 177.48 1xea n ALA 98 N -0.55 2.97 -3.14 0.00 0.00 -1.26 -4.89 120.51 113.64 1xea n ALA 98 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1xea n ALA 98 Cb 0.63 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 1xea n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xea s SER 99 N -2.78 -0.16 0.33 0.00 0.15 -1.26 -5.04 113.70 104.95 1xea s SER 99 Ca 0.19 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1xea s SER 99 Cb 0.19 0.32 0.56 0.00 -1.71 0.00 0.00 66.02 65.38 1xea s SER 99 CO 0.57 -0.50 1.96 0.00 1.20 0.00 0.00 173.24 176.47 1xea h ALA 100 N 3.65 1.45 0.30 5.45 0.00 -1.90 -2.37 119.26 125.83 1xea h ALA 100 Ca -0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xea h ALA 100 Cb 1.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1xea h ALA 100 CO 0.42 0.47 -0.51 0.37 0.00 0.00 0.00 179.25 180.00 1xea h GLN 101 N 0.88 -0.83 -0.94 0.00 5.75 -1.96 -1.26 115.11 116.75 1xea h GLN 101 Ca 0.23 0.06 0.16 0.00 -0.15 0.00 0.00 58.65 58.94 1xea h GLN 101 Cb -0.01 0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.64 1xea h GLN 101 CO -0.04 -0.55 0.60 0.93 -2.65 0.00 0.00 178.83 177.11 1xea h GLU 102 N -0.86 0.70 -0.02 1.69 5.08 -1.90 -0.40 114.58 118.87 1xea h GLU 102 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xea h GLU 102 Cb 0.81 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xea h GLU 102 CO -0.18 0.47 0.01 0.00 -1.00 0.00 0.00 179.01 178.30 1xea h GLU 104 N -0.13 0.87 0.16 0.00 5.08 -0.63 0.13 114.58 120.07 1xea h GLU 104 Ca 0.01 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xea h GLU 104 Cb 0.15 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1xea h GLU 104 CO -0.00 0.63 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.37 1xea h ASN 105 N 0.87 -1.03 -0.64 1.42 4.21 -0.80 0.30 115.58 119.91 1xea h ASN 105 Ca 0.23 0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.87 1xea h ASN 105 Cb -0.01 0.38 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1xea h ASN 105 CO -0.04 -0.45 0.42 -0.07 -1.29 0.00 0.00 177.43 176.00 1xea h LEU 106 N -0.62 0.70 -0.44 1.61 3.38 -0.60 -1.05 115.31 118.30 1xea h LEU 106 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xea h LEU 106 Cb 0.63 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xea h LEU 106 CO -0.19 0.50 -0.12 1.88 0.09 0.00 0.00 178.44 180.60 1xea h TYR 107 N 0.82 0.00 0.11 1.13 -1.99 -0.21 -1.51 116.97 115.32 1xea h TYR 107 Ca 0.24 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.71 1xea h TYR 107 Cb -0.03 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 1xea h TYR 107 CO -0.00 0.12 -1.20 1.49 -0.00 0.00 0.00 178.16 178.57 1xea h GLU 108 N 0.00 0.22 0.00 4.88 4.81 0.58 -3.01 114.58 122.07 1xea h GLU 108 Ca -0.00 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1xea h GLU 108 Cb 0.94 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1xea h GLU 108 CO 0.02 1.18 -0.40 1.25 -0.73 0.00 0.00 179.01 180.33 1xea h LEU 109 N 0.06 0.00 0.30 1.64 5.85 -1.13 -2.08 115.31 119.96 1xea h LEU 109 Ca -0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1xea h LEU 109 Cb 1.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1xea h LEU 109 CO 0.19 0.40 -0.15 0.00 -0.34 0.00 0.00 178.44 178.54 1xea h ALA 110 N 1.60 -0.41 0.00 1.25 0.00 -1.23 -2.43 119.26 118.05 1xea h ALA 110 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1xea h ALA 110 Cb 1.03 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xea h ALA 110 CO 0.05 -0.53 -0.22 1.05 0.00 0.00 0.00 179.25 179.60 1xea h GLU 111 N -0.81 0.00 -0.62 0.00 4.11 -1.58 0.87 114.58 116.55 1xea h GLU 111 Ca -0.04 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.41 1xea h GLU 111 Cb 0.51 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1xea h GLU 111 CO 0.07 0.22 0.38 -0.22 0.07 0.00 0.00 179.01 179.53 1xea h LYS 112 N 0.00 0.74 -0.72 1.06 3.64 -1.25 -1.57 116.57 118.47 1xea h LYS 112 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xea h LYS 112 Cb 0.62 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1xea h LYS 112 CO 0.03 0.49 0.00 0.72 -2.27 0.00 0.00 179.45 178.42 1xea n HIS 113 N -4.71 0.96 -3.75 1.91 8.25 -0.93 -4.96 115.22 111.98 1xea n HIS 113 Ca 0.06 -0.48 -0.24 0.00 -0.26 0.00 0.00 57.72 56.80 1xea n HIS 113 Cb 0.07 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.21 1xea n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xea n HIS 114 N 1.61 -1.86 -4.52 4.41 8.25 -0.20 -4.92 115.22 117.98 1xea n HIS 114 Ca 0.24 0.73 -0.22 0.00 -0.26 0.00 0.00 57.72 58.21 1xea n HIS 114 Cb 0.61 -3.99 -0.14 0.00 1.12 0.00 0.00 29.99 27.59 1xea n HIS 114 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1xea s GLN 115 N -6.06 1.08 0.35 -0.41 -1.52 0.13 -5.00 119.66 108.23 1xea s GLN 115 Ca 0.13 -0.65 -0.25 0.00 -1.95 0.00 0.00 55.36 52.63 1xea s GLN 115 Cb -0.04 -1.07 -0.10 0.00 -0.22 0.00 0.00 33.01 31.58 1xea s GLN 115 CO 0.84 0.28 0.99 -1.25 -0.25 0.00 0.00 175.29 175.90 1xea s PRO 116 N -0.75 4.41 -0.48 2.91 0.04 -1.25 -4.33 135.00 135.56 1xea s PRO 116 Ca 0.04 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1xea s PRO 116 Cb -0.07 -2.69 0.14 0.00 0.04 0.00 0.00 34.50 31.92 1xea s PRO 116 CO 0.00 0.10 0.26 -1.17 0.04 0.00 0.00 177.00 176.24 1xea s LEU 117 N -2.30 3.27 -0.03 -3.56 2.96 -1.26 -1.46 118.68 116.30 1xea s LEU 117 Ca 0.53 -2.81 -0.29 0.00 -0.22 0.00 0.00 54.13 51.34 1xea s LEU 117 Cb -0.20 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1xea s LEU 117 CO 0.25 -0.24 0.94 -0.47 -1.32 0.00 0.00 176.35 175.51 1xea s TYR 118 N 0.06 3.62 -0.20 5.38 5.04 -0.12 -4.95 117.35 126.18 1xea s TYR 118 Ca 0.18 1.61 -0.07 0.00 -2.44 0.00 0.00 57.07 56.34 1xea s TYR 118 Cb -0.23 -3.08 -0.04 0.00 0.35 0.00 0.00 41.96 38.96 1xea s TYR 118 CO -0.01 -0.03 0.07 0.08 -1.34 0.00 0.00 175.55 174.31 1xea s VAL 119 N 1.16 4.68 -0.65 3.14 1.01 -1.26 -0.29 120.40 128.18 1xea s VAL 119 Ca 0.49 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1xea s VAL 119 Cb -0.20 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1xea s VAL 119 CO 0.25 0.43 1.79 -0.83 0.00 0.00 0.00 175.10 176.74 1xea s GLY 120 N 0.68 0.29 -0.62 4.51 0.00 0.12 -4.91 107.32 107.39 1xea s GLY 120 Ca 0.03 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.98 1xea s GLY 120 CO 0.02 3.32 0.43 -1.36 0.00 0.00 0.00 173.10 175.51 1xea s PHE 121 N 8.71 3.09 0.53 1.90 2.99 -1.26 -3.56 117.98 130.39 1xea s PHE 121 Ca 0.63 -3.13 0.21 0.00 0.00 0.00 0.00 56.93 54.64 1xea s PHE 121 Cb -0.11 -2.44 1.35 0.00 0.00 0.00 0.00 43.02 41.82 1xea s PHE 121 CO 0.18 -0.62 2.09 -2.95 -0.00 0.00 0.00 175.22 173.91 1xea h ASN 122 N 5.67 0.00 0.00 1.36 -1.07 -1.89 -2.17 115.58 117.48 1xea h ASN 122 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.49 1xea h ASN 122 Cb 0.80 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.05 1xea h ASN 122 CO 0.65 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.69 1xea n ARG 123 N -4.42 0.19 -0.00 4.14 3.00 -1.26 -0.92 116.66 117.38 1xea n ARG 123 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.93 1xea n ARG 123 Cb 0.31 -1.21 -0.09 0.00 0.00 0.00 0.00 32.46 31.48 1xea n ARG 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1xea n ARG 124 N -0.71 1.54 -2.20 5.56 1.74 -0.82 -4.60 116.66 117.18 1xea n ARG 124 Ca 0.02 -0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 56.79 1xea n ARG 124 Cb 0.01 -1.23 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 1xea n ARG 124 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xea n HIS 125 N -1.64 2.95 -3.08 -1.55 8.25 -0.10 -4.67 115.22 115.39 1xea n HIS 125 Ca 0.00 -2.54 -0.42 0.00 -0.26 0.00 0.00 57.72 54.50 1xea n HIS 125 Cb 0.28 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 1xea n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xea s ILE 126 N -4.91 4.83 0.19 1.59 1.01 -1.24 -4.22 121.20 118.45 1xea s ILE 126 Ca 0.49 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 61.33 1xea s ILE 126 Cb 0.41 -4.16 0.09 0.00 0.01 0.00 0.00 42.46 38.81 1xea s ILE 126 CO -0.04 -0.47 1.56 1.55 0.00 0.00 0.00 174.94 177.54 1xea h PRO 127 N 8.67 -0.11 -0.84 2.79 0.13 -1.79 0.83 132.00 141.68 1xea h PRO 127 Ca -0.26 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1xea h PRO 127 Cb 1.10 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1xea h PRO 127 CO 0.88 -0.07 0.52 1.25 -0.23 0.00 0.00 178.00 180.35 1xea h LEU 128 N -0.11 1.00 -0.01 1.56 5.85 -1.87 -1.18 115.31 120.55 1xea h LEU 128 Ca 0.23 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1xea h LEU 128 Cb 0.55 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1xea h LEU 128 CO -0.83 0.75 -0.56 1.88 -0.34 0.00 0.00 178.44 179.35 1xea h TYR 129 N 1.16 0.58 0.00 1.25 0.05 -1.61 -3.13 116.97 115.26 1xea h TYR 129 Ca 0.30 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xea h TYR 129 Cb -0.07 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1xea h TYR 129 CO 0.00 1.12 0.00 -0.91 -1.05 0.00 0.00 178.16 177.33 1xea h ASN 130 N -0.13 0.00 0.20 3.88 4.21 -0.79 0.31 115.58 123.26 1xea h ASN 130 Ca -0.07 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1xea h ASN 130 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1xea h ASN 130 CO 0.11 0.00 -0.10 1.56 -1.29 0.00 0.00 177.43 177.72 1xea h GLN 131 N 0.00 -0.26 0.00 0.81 4.20 -1.16 -3.35 115.11 115.35 1xea h GLN 131 Ca 0.00 0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 1xea h GLN 131 Cb 0.32 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1xea h GLN 131 CO 0.00 0.14 -1.10 0.45 -0.67 0.00 0.00 178.83 177.65 1xea h HIS 132 N -0.82 0.00 -3.42 2.96 3.86 -1.54 -3.40 115.15 112.78 1xea h HIS 132 Ca -0.03 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.48 1xea h HIS 132 Cb 0.52 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.64 1xea h HIS 132 CO 0.07 0.64 -0.20 -0.51 0.86 0.00 0.00 177.93 178.78 1xea s LEU 133 N -6.13 5.46 0.53 2.43 1.43 0.11 -4.92 118.68 117.59 1xea s LEU 133 Ca -0.00 -3.36 0.19 0.00 -1.03 0.00 0.00 54.13 49.92 1xea s LEU 133 Cb 0.08 -1.89 1.38 0.00 0.03 0.00 0.00 46.19 45.79 1xea s LEU 133 CO 0.79 -0.27 2.17 0.77 0.23 0.00 0.00 176.35 180.04 1xea h SER 134 N 6.44 0.00 -0.24 2.29 4.64 -1.80 -1.90 113.55 122.99 1xea h SER 134 Ca 0.09 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1xea h SER 134 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1xea h SER 134 CO 0.79 0.00 0.17 -0.33 -0.87 0.00 0.00 176.83 176.59 1xea h GLU 135 N 0.00 0.06 0.00 4.77 3.07 -1.91 -0.48 114.58 120.09 1xea h GLU 135 Ca 0.01 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 1xea h GLU 135 Cb 0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1xea h GLU 135 CO -0.00 0.04 -0.71 -0.07 -1.40 0.00 0.00 179.01 176.87 1xea h LEU 136 N 0.07 0.00 -0.08 1.33 3.38 -1.60 0.13 115.31 118.55 1xea h LEU 136 Ca 0.11 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.83 1xea h LEU 136 Cb 0.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xea h LEU 136 CO -0.01 0.71 -0.95 0.00 0.09 0.00 0.00 178.44 178.29 1xea h ALA 137 N 1.29 0.22 0.00 1.53 0.00 -1.27 -3.18 119.26 117.85 1xea h ALA 137 Ca -0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1xea h ALA 137 Cb 1.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1xea h ALA 137 CO 0.09 0.70 -0.38 1.96 0.00 0.00 0.00 179.25 181.63 1xea h GLN 138 N 0.43 0.00 -4.21 0.00 7.50 -1.15 -3.48 115.11 114.19 1xea h GLN 138 Ca -0.10 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 58.90 1xea h GLN 138 Cb 1.59 0.00 0.10 0.00 0.05 0.00 0.00 27.48 29.22 1xea h GLN 138 CO 0.19 0.27 -0.45 1.04 -1.50 0.00 0.00 178.83 178.37 1xea n GLN 139 N -3.13 -1.98 -3.51 1.46 6.02 0.39 -5.06 117.38 111.56 1xea n GLN 139 Ca 0.02 0.47 -0.16 0.00 -0.01 0.00 0.00 57.00 57.31 1xea n GLN 139 Cb 0.65 -4.00 -0.05 0.00 1.02 0.00 0.00 30.24 27.86 1xea n GLN 139 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1xea s GLU 140 N -4.07 1.09 0.26 -1.09 -1.05 -0.72 -4.92 118.70 108.20 1xea s GLU 140 Ca 0.17 0.06 -0.01 0.00 -0.15 0.00 0.00 54.97 55.03 1xea s GLU 140 Cb -0.02 0.51 0.50 0.00 -0.44 0.00 0.00 34.13 34.68 1xea s GLU 140 CO 0.40 -0.37 1.79 0.00 0.95 0.00 0.00 175.26 178.03 1xea n GLY 142 N -1.33 2.87 0.49 0.00 0.00 -1.26 -1.93 105.19 104.02 1xea n GLY 142 Ca 0.16 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1xea n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xea n ALA 143 N 9.08 2.54 -1.75 4.61 0.00 -1.26 -4.93 120.51 128.80 1xea n ALA 143 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1xea n ALA 143 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1xea n ALA 143 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xea n LEU 144 N 0.19 4.42 -0.10 0.00 4.77 -0.82 -4.59 117.00 120.88 1xea n LEU 144 Ca 0.17 1.19 -0.11 0.00 -0.03 0.00 0.00 56.01 57.23 1xea n LEU 144 Cb 0.32 -1.59 -0.14 0.00 -2.33 0.00 0.00 43.42 39.68 1xea n LEU 144 CO 0.14 0.08 -1.15 0.54 -1.33 0.00 0.00 177.39 175.67 1xea n ARG 145 N 1.30 0.88 -3.60 3.23 5.12 0.74 -4.13 116.66 120.19 1xea n ARG 145 Ca 0.05 0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1xea n ARG 145 Cb 0.37 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.13 1xea n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1xea s SER 146 N -5.55 -0.49 -0.20 0.55 1.04 -0.91 -0.56 113.70 107.58 1xea s SER 146 Ca -0.15 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 1xea s SER 146 Cb 0.06 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.75 1xea s SER 146 CO 0.70 -0.57 0.34 -0.22 0.98 0.00 0.00 173.24 174.47 1xea s LEU 147 N -1.29 -0.48 -0.16 2.42 2.96 0.02 -0.97 118.68 121.17 1xea s LEU 147 Ca -0.11 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1xea s LEU 147 Cb -0.02 0.96 -0.00 0.00 0.50 0.00 0.00 46.19 47.63 1xea s LEU 147 CO 0.07 -0.27 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.09 1xea s ARG 148 N 2.50 3.23 -0.32 1.98 3.52 0.73 -0.74 118.95 129.84 1xea s ARG 148 Ca 0.06 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1xea s ARG 148 Cb -0.14 -2.67 0.08 0.00 -1.56 0.00 0.00 34.95 30.66 1xea s ARG 148 CO -0.13 -0.02 0.02 -0.46 -0.81 0.00 0.00 175.30 173.91 1xea s TRP 149 N 0.91 3.49 -0.18 5.12 -0.11 -0.21 -0.15 118.94 127.80 1xea s TRP 149 Ca -0.03 -2.46 -0.07 0.00 1.22 0.00 0.00 56.10 54.75 1xea s TRP 149 Cb -0.15 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 29.25 1xea s TRP 149 CO -0.01 -0.90 0.06 -1.21 -4.62 0.00 0.00 176.95 170.27 1xea s GLU 150 N 1.08 3.97 -0.31 5.86 2.02 0.12 -2.22 118.70 129.21 1xea s GLU 150 Ca 0.01 -0.35 -0.01 0.00 0.02 0.00 0.00 54.97 54.65 1xea s GLU 150 Cb -0.20 -3.22 0.10 0.00 0.10 0.00 0.00 34.13 30.92 1xea s GLU 150 CO -0.05 0.27 0.12 0.21 0.02 0.00 0.00 175.26 175.83 1xea s LYS 151 N 0.39 0.61 0.24 1.61 2.20 -0.66 0.17 119.74 124.30 1xea s LYS 151 Ca 0.03 -1.01 0.06 0.00 -0.36 0.00 0.00 55.97 54.69 1xea s LYS 151 Cb -0.12 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.39 1xea s LYS 151 CO 0.00 -1.02 0.24 -1.01 -0.36 0.00 0.00 175.35 173.21 1xea s HIS 152 N 1.63 3.22 0.03 4.03 3.76 0.50 -3.99 115.29 124.47 1xea s HIS 152 Ca 0.10 -0.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1xea s HIS 152 Cb -0.18 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 1xea s HIS 152 CO -0.25 0.50 -0.07 1.03 -0.85 0.00 0.00 174.74 175.09 1xea s ARG 153 N -3.83 0.49 -0.21 1.40 1.81 -0.87 -1.87 118.95 115.88 1xea s ARG 153 Ca 0.33 -0.61 -0.20 0.00 -1.72 0.00 0.00 55.73 53.53 1xea s ARG 153 Cb -0.08 -0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1xea s ARG 153 CO 0.26 0.06 0.58 -1.58 -0.68 0.00 0.00 175.30 173.95 1xea s HIS 154 N -1.06 3.36 -0.66 -0.53 5.65 -1.24 -1.00 115.29 119.80 1xea s HIS 154 Ca -0.07 0.84 -0.13 0.00 0.25 0.00 0.00 55.06 55.95 1xea s HIS 154 Cb -0.08 -2.75 0.02 0.00 -1.18 0.00 0.00 32.58 28.58 1xea s HIS 154 CO 0.00 -0.17 0.64 0.00 -0.65 0.00 0.00 174.74 174.56 1xea n ALA 155 N 5.06 -2.64 -2.70 1.58 0.00 -1.24 -4.91 120.51 115.66 1xea n ALA 155 Ca -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 1xea n ALA 155 Cb 0.50 -1.64 0.11 0.00 0.00 0.00 0.00 19.45 18.42 1xea n ALA 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xea n LEU 156 N -1.52 -1.94 -4.73 0.00 7.94 0.33 -5.01 117.00 112.07 1xea n LEU 156 Ca -0.15 -3.43 -0.29 0.00 -1.11 0.00 0.00 56.01 51.03 1xea n LEU 156 Cb 0.63 0.18 0.15 0.00 0.53 0.00 0.00 43.42 44.91 1xea n LEU 156 CO 0.58 1.90 0.67 -2.16 -1.11 0.00 0.00 177.39 177.27 1xea s PRO 157 N 0.20 0.82 0.29 1.96 0.04 -1.18 -4.84 135.00 132.29 1xea s PRO 157 Ca 0.21 0.44 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 1xea s PRO 157 Cb 0.37 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 33.18 1xea s PRO 157 CO -0.08 -2.45 0.79 0.41 0.04 0.00 0.00 177.00 175.71 1xea n GLY 158 N -1.59 0.93 3.77 0.56 0.00 -0.92 -4.90 105.19 103.03 1xea n GLY 158 Ca 0.06 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1xea n GLY 158 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xea s ASP 159 N -2.99 6.35 0.19 1.61 -4.77 -1.26 -0.19 116.67 115.62 1xea s ASP 159 Ca 0.17 2.34 -0.24 0.00 -3.30 0.00 0.00 52.55 51.52 1xea s ASP 159 Cb -0.04 -2.61 0.09 0.00 -1.09 0.00 0.00 42.92 39.27 1xea s ASP 159 CO 0.09 -0.80 1.55 0.40 0.70 0.00 0.00 175.17 177.11 1xea h ILE 160 N 2.12 0.02 -0.12 2.11 2.04 -1.94 -0.51 117.51 121.23 1xea h ILE 160 Ca -0.49 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1xea h ILE 160 Cb 1.24 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1xea h ILE 160 CO 0.61 0.00 -0.30 0.03 0.00 0.00 0.00 178.15 178.49 1xea h ARG 161 N -0.05 -0.28 -0.35 2.37 2.47 -1.94 -0.38 114.38 116.22 1xea h ARG 161 Ca 0.25 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1xea h ARG 161 Cb 0.52 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1xea h ARG 161 CO -0.91 -0.19 0.15 1.15 0.56 0.00 0.00 179.97 180.73 1xea h THR 162 N -0.29 1.18 -0.65 2.04 2.02 -1.88 -1.96 112.91 113.37 1xea h THR 162 Ca 0.02 -0.53 0.12 0.00 0.77 0.00 0.00 66.41 66.80 1xea h THR 162 Cb 0.36 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 1xea h THR 162 CO -0.26 0.19 0.16 0.15 0.37 0.00 0.00 175.52 176.13 1xea h PHE 163 N 0.42 0.26 0.03 3.16 -0.00 -0.99 -1.45 116.94 118.39 1xea h PHE 163 Ca 0.12 0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 58.12 1xea h PHE 163 Cb 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.09 1xea h PHE 163 CO -0.01 -0.02 -0.02 0.28 -0.00 0.00 0.00 178.31 178.54 1xea h VAL 164 N 0.29 0.00 0.00 1.41 2.07 -0.83 -1.49 116.25 117.70 1xea h VAL 164 Ca 0.34 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1xea h VAL 164 Cb 0.52 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1xea h VAL 164 CO -0.42 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 176.86 1xea h PHE 165 N -0.13 0.00 0.00 1.57 -1.00 -1.44 -0.57 116.94 115.37 1xea h PHE 165 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xea h PHE 165 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1xea h PHE 165 CO 0.06 0.05 -1.32 -0.25 -1.61 0.00 0.00 178.31 175.24 1xea n ASP 166 N -4.26 0.68 0.11 2.17 8.00 -0.55 -3.97 116.55 118.74 1xea n ASP 166 Ca -0.03 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1xea n ASP 166 Cb 0.14 1.32 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 1xea n ASP 166 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xea n ASP 167 N -1.74 0.26 0.29 -2.24 2.03 -1.15 -4.84 116.55 109.15 1xea n ASP 167 Ca 0.01 0.37 0.16 0.00 0.52 0.00 0.00 54.79 55.85 1xea n ASP 167 Cb 0.41 0.15 0.94 0.00 -0.72 0.00 0.00 41.12 41.90 1xea n ASP 167 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1xea h PHE 168 N 0.00 0.00 -0.63 -0.67 3.57 -0.74 -1.69 116.94 116.78 1xea h PHE 168 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1xea h PHE 168 Cb 0.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1xea h PHE 168 CO 0.00 0.00 0.44 0.97 -2.23 0.00 0.00 178.31 177.49 1xea h ILE 169 N 0.00 0.72 0.35 1.41 6.09 -1.38 0.55 117.51 125.26 1xea h ILE 169 Ca 0.01 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.45 1xea h ILE 169 Cb 0.07 0.62 0.00 0.00 0.47 0.00 0.00 36.82 37.99 1xea h ILE 169 CO -0.00 0.02 -0.17 0.45 -3.07 0.00 0.00 178.15 175.38 1xea h HIS 170 N 0.10 -0.44 -0.70 2.19 3.86 -1.60 -0.06 115.15 118.49 1xea h HIS 170 Ca 0.30 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1xea h HIS 170 Cb 1.06 0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.65 1xea h HIS 170 CO -0.00 -0.27 0.36 -1.00 0.86 0.00 0.00 177.93 177.88 1xea h PRO 171 N -0.56 1.00 -0.72 2.45 0.13 -1.68 -1.12 132.00 131.50 1xea h PRO 171 Ca -0.05 -0.13 0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1xea h PRO 171 Cb 0.36 -0.19 -0.08 0.00 0.13 0.00 0.00 31.00 31.23 1xea h PRO 171 CO 0.08 0.76 0.33 1.25 -0.23 0.00 0.00 178.00 180.20 1xea h LEU 172 N 0.97 0.40 -0.09 1.56 5.85 -0.95 -2.16 115.31 120.89 1xea h LEU 172 Ca 0.24 0.07 -0.25 0.00 0.84 0.00 0.00 57.88 58.79 1xea h LEU 172 Cb 0.08 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1xea h LEU 172 CO -0.04 0.21 -1.00 -0.78 -0.34 0.00 0.00 178.44 176.50 1xea h ASP 173 N 0.55 0.70 -0.10 1.25 3.58 -0.69 -3.09 116.42 118.63 1xea h ASP 173 Ca 0.37 -0.57 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 1xea h ASP 173 Cb 0.44 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1xea h ASP 173 CO -0.31 1.37 0.02 0.28 -2.88 0.00 0.00 179.24 177.72 1xea h SER 174 N 0.30 0.20 -0.26 2.28 0.02 -0.79 -1.89 113.55 113.41 1xea h SER 174 Ca -0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1xea h SER 174 Cb 1.64 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.13 1xea h SER 174 CO 0.18 0.23 0.00 0.55 -1.14 0.00 0.00 176.83 176.65 1xea n VAL 175 N -4.42 0.32 -1.77 2.27 3.14 -0.85 -4.64 118.33 112.37 1xea n VAL 175 Ca -0.01 -0.60 -0.39 0.00 -2.96 0.00 0.00 64.34 60.38 1xea n VAL 175 Cb 0.15 0.97 -0.01 0.00 -1.06 0.00 0.00 33.84 33.88 1xea n VAL 175 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xea n ASN 176 N 1.21 8.21 0.00 6.55 5.15 -0.71 -4.67 115.26 131.00 1xea n ASN 176 Ca 0.18 -2.97 0.11 0.00 -0.60 0.00 0.00 54.58 51.30 1xea n ASN 176 Cb 0.55 -1.42 0.50 0.00 -0.53 0.00 0.00 39.78 38.88 1xea n ASN 176 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1xea n LEU 177 N 2.25 0.00 -1.03 1.20 4.77 -1.26 -3.17 117.00 119.76 1xea n LEU 177 Ca 0.67 0.50 0.08 0.00 -0.03 0.00 0.00 56.01 57.22 1xea n LEU 177 Cb 0.25 -0.50 0.25 0.00 -2.33 0.00 0.00 43.42 41.10 1xea n LEU 177 CO 0.72 -0.10 0.72 -1.54 -1.33 0.00 0.00 177.39 175.86 1xea n SER 178 N -1.50 3.81 -3.90 -1.43 3.41 -1.26 -4.14 113.62 108.62 1xea n SER 178 Ca 0.06 -2.43 -0.27 0.00 -0.26 0.00 0.00 58.87 55.96 1xea n SER 178 Cb 0.27 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1xea n SER 178 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xea n ARG 179 N 0.44 -4.60 -2.03 4.33 3.00 -1.19 -4.91 116.66 111.70 1xea n ARG 179 Ca 0.19 0.54 -0.42 0.00 -0.01 0.00 0.00 57.85 58.15 1xea n ARG 179 Cb 0.71 -5.15 -0.03 0.00 0.00 0.00 0.00 32.46 27.99 1xea n ARG 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1xea s GLN 180 N -6.46 4.27 0.00 5.56 2.00 -1.26 -4.87 119.66 118.90 1xea s GLN 180 Ca 0.35 2.26 0.00 0.00 -2.00 0.00 0.00 55.36 55.97 1xea s GLN 180 Cb -0.18 -3.15 0.00 0.00 0.80 0.00 0.00 33.01 30.48 1xea s GLN 180 CO 0.85 -0.46 0.49 0.00 -0.50 0.00 0.00 175.29 175.66 1xea n ASN 182 N -0.12 -0.33 -1.71 0.00 2.04 -1.26 -3.44 115.26 110.45 1xea n ASN 182 Ca 0.00 -1.54 0.05 0.00 -0.44 0.00 0.00 54.58 52.65 1xea n ASN 182 Cb 0.22 0.63 0.34 0.00 -2.53 0.00 0.00 39.78 38.45 1xea n ASN 182 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1xea n LEU 183 N 0.00 5.12 -4.73 -4.53 4.77 -1.26 -4.88 117.00 111.50 1xea n LEU 183 Ca 0.01 -2.61 -0.42 0.00 -0.03 0.00 0.00 56.01 52.96 1xea n LEU 183 Cb 0.16 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1xea n LEU 183 CO 0.08 0.59 1.07 -1.81 -1.33 0.00 0.00 177.39 175.99 1xea s ASP 184 N -0.68 6.78 -0.70 -1.43 1.11 -1.26 -2.79 116.67 117.71 1xea s ASP 184 Ca 0.47 2.46 0.00 0.00 0.18 0.00 0.00 52.55 55.65 1xea s ASP 184 Cb 0.36 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.75 1xea s ASP 184 CO 0.13 -0.64 0.00 0.47 1.18 0.00 0.00 175.17 176.31 1xea n ASP 185 N 3.20 -2.52 -4.63 0.27 8.00 -1.26 -4.91 116.55 114.69 1xea n ASP 185 Ca 0.09 0.27 -0.28 0.00 0.71 0.00 0.00 54.79 55.58 1xea n ASP 185 Cb 0.42 -2.31 -0.09 0.00 -0.02 0.00 0.00 41.12 39.12 1xea n ASP 185 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xea s LEU 186 N -4.60 3.24 -0.25 0.64 0.20 -1.12 -4.38 118.68 112.41 1xea s LEU 186 Ca 0.00 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.46 1xea s LEU 186 Cb 0.00 -1.96 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1xea s LEU 186 CO 0.00 0.14 -0.08 -2.28 -0.29 0.00 0.00 176.35 173.84 1xea s HIS 187 N -1.46 3.07 -0.15 5.38 5.65 0.29 -4.99 115.29 123.08 1xea s HIS 187 Ca 0.25 -1.67 0.00 0.00 0.25 0.00 0.00 55.06 53.89 1xea s HIS 187 Cb -0.10 -2.03 -0.00 0.00 -1.18 0.00 0.00 32.58 29.26 1xea s HIS 187 CO 0.17 -0.76 -0.14 -1.17 -0.65 0.00 0.00 174.74 172.18 1xea s LEU 188 N 1.29 2.54 0.16 8.88 2.96 -1.26 -1.33 118.68 131.91 1xea s LEU 188 Ca -0.01 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1xea s LEU 188 Cb -0.17 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1xea s LEU 188 CO -0.05 0.10 -0.08 0.42 -1.32 0.00 0.00 176.35 175.41 1xea s THR 189 N 0.76 1.10 0.17 3.68 -4.23 -0.73 -5.02 115.64 111.37 1xea s THR 189 Ca -0.06 -2.05 -0.23 0.00 -1.18 0.00 0.00 61.69 58.17 1xea s THR 189 Cb -0.15 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 71.85 1xea s THR 189 CO 0.01 -0.69 1.04 -0.72 -0.54 0.00 0.00 174.62 173.72 1xea s TYR 190 N -3.37 0.03 0.25 3.99 -0.85 -1.26 -1.48 117.35 114.65 1xea s TYR 190 Ca 0.18 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.34 1xea s TYR 190 Cb 0.03 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.06 1xea s TYR 190 CO 0.01 -0.86 0.33 1.58 -1.52 0.00 0.00 175.55 175.09 1xea n HIS 191 N -0.65 -1.10 0.00 -3.49 -0.00 -0.76 -4.97 115.22 104.25 1xea n HIS 191 Ca -0.04 -1.70 0.00 0.00 0.46 0.00 0.00 57.72 56.44 1xea n HIS 191 Cb 0.60 0.37 0.00 0.00 -0.12 0.00 0.00 29.99 30.84 1xea n HIS 191 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1xea n SER 193 N -1.80 0.00 -2.79 0.26 2.88 0.11 -0.83 113.62 111.45 1xea n SER 193 Ca 0.01 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.38 1xea n SER 193 Cb 0.42 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1xea n SER 193 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xea n GLU 194 N 0.00 -2.87 -0.65 -1.46 1.02 -1.26 -0.80 120.64 114.63 1xea n GLU 194 Ca 0.00 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1xea n GLU 194 Cb 0.00 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.14 1xea n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xea n GLY 195 N -1.01 0.73 3.60 0.62 0.00 -1.26 -5.05 105.19 102.82 1xea n GLY 195 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1xea n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xea s LEU 196 N 0.00 2.80 -0.14 0.99 1.43 0.02 -4.95 118.68 118.84 1xea s LEU 196 Ca 0.00 -1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 51.53 1xea s LEU 196 Cb 0.00 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 1xea s LEU 196 CO 0.00 -0.43 0.64 -0.22 0.23 0.00 0.00 176.35 176.57 1xea s LEU 197 N -3.68 4.22 -0.19 1.79 0.20 0.74 0.08 118.68 121.84 1xea s LEU 197 Ca 0.35 0.97 -0.09 0.00 0.69 0.00 0.00 54.13 56.05 1xea s LEU 197 Cb 0.09 -2.95 -0.09 0.00 -0.43 0.00 0.00 46.19 42.82 1xea s LEU 197 CO 0.18 -0.19 -0.25 0.00 -0.29 0.00 0.00 176.35 175.80 1xea n ALA 198 N 4.42 1.74 -2.86 5.97 0.00 -0.01 -2.17 120.51 127.60 1xea n ALA 198 Ca -0.02 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1xea n ALA 198 Cb 0.50 0.24 -0.12 0.00 0.00 0.00 0.00 19.45 20.08 1xea n ALA 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1xea s ARG 199 N -2.36 0.48 -0.05 0.00 1.70 -1.16 0.89 118.95 118.44 1xea s ARG 199 Ca -0.27 -0.65 -0.02 0.00 -0.47 0.00 0.00 55.73 54.32 1xea s ARG 199 Cb 0.10 -0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1xea s ARG 199 CO 0.35 0.05 0.12 -1.17 -1.08 0.00 0.00 175.30 173.56 1xea s LEU 200 N -1.33 0.91 -0.07 -1.89 2.96 -1.26 -1.83 118.68 116.16 1xea s LEU 200 Ca -0.09 0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1xea s LEU 200 Cb -0.09 0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.92 1xea s LEU 200 CO 0.00 -0.13 -0.05 -1.81 -1.32 0.00 0.00 176.35 173.05 1xea s ASP 201 N 0.99 1.59 -0.16 3.68 1.11 -0.55 -4.33 116.67 119.00 1xea s ASP 201 Ca -0.08 -0.18 0.01 0.00 0.18 0.00 0.00 52.55 52.49 1xea s ASP 201 Cb -0.10 -0.59 0.01 0.00 1.07 0.00 0.00 42.92 43.31 1xea s ASP 201 CO -0.05 -0.11 -0.20 -0.69 1.18 0.00 0.00 175.17 175.31 1xea s VAL 202 N 1.47 2.20 -0.01 -1.27 1.01 0.73 -1.77 120.40 122.76 1xea s VAL 202 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1xea s VAL 202 Cb -0.13 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1xea s VAL 202 CO -0.04 0.54 -0.00 -1.58 0.00 0.00 0.00 175.10 174.02 1xea s GLN 203 N 0.99 0.09 0.18 2.72 0.74 -0.44 -0.33 119.66 123.61 1xea s GLN 203 Ca -0.02 0.03 -0.21 0.00 0.05 0.00 0.00 55.36 55.21 1xea s GLN 203 Cb -0.15 -0.19 0.05 0.00 1.10 0.00 0.00 33.01 33.83 1xea s GLN 203 CO -0.05 -0.04 0.58 1.67 -0.55 0.00 0.00 175.29 176.89 1xea s TRP 204 N 0.38 -0.39 -0.19 1.67 -2.14 -0.85 0.10 118.94 117.53 1xea s TRP 204 Ca -0.03 0.11 0.01 0.00 2.66 0.00 0.00 56.10 58.84 1xea s TRP 204 Cb -0.05 0.51 0.04 0.00 -3.10 0.00 0.00 33.47 30.87 1xea s TRP 204 CO -0.01 -0.89 -0.11 -1.14 -2.66 0.00 0.00 176.95 172.14 1xea s GLN 205 N -3.80 2.08 -0.60 3.25 0.74 -1.26 -1.75 119.66 118.32 1xea s GLN 205 Ca 0.04 -0.80 -0.07 0.00 0.05 0.00 0.00 55.36 54.57 1xea s GLN 205 Cb -0.01 -2.37 0.16 0.00 1.10 0.00 0.00 33.01 31.88 1xea s GLN 205 CO -0.09 -0.40 0.46 0.99 -0.55 0.00 0.00 175.29 175.71 1xea s THR 206 N 1.41 4.25 0.00 -0.34 2.01 -0.95 -4.95 115.64 117.07 1xea s THR 206 Ca -0.00 -2.40 0.00 0.00 0.31 0.00 0.00 61.69 59.60 1xea s THR 206 Cb -0.16 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1xea s THR 206 CO -0.09 -0.86 0.00 0.61 -0.69 0.00 0.00 174.62 173.59 1xea n GLY 207 N 4.14 1.74 0.90 4.40 0.00 -1.26 -3.34 105.19 111.78 1xea n GLY 207 Ca 0.03 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.48 1xea n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xea n ASP 208 N 6.46 3.52 -4.07 1.61 8.00 -1.26 -4.95 116.55 125.87 1xea n ASP 208 Ca 0.00 -3.17 -0.32 0.00 0.71 0.00 0.00 54.79 52.01 1xea n ASP 208 Cb 0.00 -0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 40.38 1xea n ASP 208 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xea s THR 209 N -2.92 1.88 -0.46 -3.53 2.01 -1.21 -4.27 115.64 107.15 1xea s THR 209 Ca 0.42 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 61.25 1xea s THR 209 Cb 0.35 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 71.10 1xea s THR 209 CO 0.07 0.39 0.70 -0.22 -0.69 0.00 0.00 174.62 174.86 1xea s LEU 210 N 1.33 4.47 -0.20 4.42 2.96 0.28 -2.24 118.68 129.70 1xea s LEU 210 Ca 0.02 -0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1xea s LEU 210 Cb -0.14 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 1xea s LEU 210 CO -0.11 -0.86 0.13 -0.76 -1.32 0.00 0.00 176.35 173.44 1xea s LEU 211 N 2.99 4.21 -0.07 -0.68 1.43 -0.72 -0.80 118.68 125.04 1xea s LEU 211 Ca 0.24 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1xea s LEU 211 Cb -0.14 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.02 1xea s LEU 211 CO 0.19 0.18 0.02 -2.28 0.23 0.00 0.00 176.35 174.69 1xea s HIS 212 N 0.37 0.50 -0.19 0.29 2.46 0.08 -2.00 115.29 116.80 1xea s HIS 212 Ca 0.08 -0.08 -0.03 0.00 0.47 0.00 0.00 55.06 55.50 1xea s HIS 212 Cb -0.11 -0.72 -0.01 0.00 -0.13 0.00 0.00 32.58 31.61 1xea s HIS 212 CO -0.02 -0.31 -0.06 0.00 -2.47 0.00 0.00 174.74 171.89 1xea s ALA 213 N 2.03 2.82 0.25 1.58 0.00 0.55 -1.05 121.76 127.94 1xea s ALA 213 Ca 0.05 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1xea s ALA 213 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 1xea s ALA 213 CO -0.05 -0.14 0.15 -1.13 0.00 0.00 0.00 175.76 174.59 1xea n SER 214 N 4.25 0.27 -2.96 0.00 3.41 -0.94 -0.19 113.62 117.45 1xea n SER 214 Ca -0.18 -2.51 0.03 0.00 -0.26 0.00 0.00 58.87 55.95 1xea n SER 214 Cb 0.52 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 1xea n SER 214 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xea s ASN 216 N -2.67 -0.42 -0.06 4.04 3.84 -1.26 -1.65 114.94 116.76 1xea s ASN 216 Ca 0.21 -0.09 0.01 0.00 0.21 0.00 0.00 52.86 53.20 1xea s ASN 216 Cb 0.01 0.87 0.10 0.00 -0.55 0.00 0.00 41.25 41.68 1xea s ASN 216 CO 0.15 -0.06 1.09 0.54 -2.79 0.00 0.00 177.10 176.03 1xea n ARG 217 N 4.37 1.23 -2.73 0.43 1.74 0.26 -2.04 116.66 119.91 1xea n ARG 217 Ca 0.07 -0.45 -0.01 0.00 -0.77 0.00 0.00 57.85 56.70 1xea n ARG 217 Cb 0.60 -1.22 0.08 0.00 -1.02 0.00 0.00 32.46 30.90 1xea n ARG 217 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1xea n GLN 218 N 0.24 1.55 -2.21 5.56 7.27 -0.91 -0.51 117.38 128.36 1xea n GLN 218 Ca 0.08 -2.62 -0.26 0.00 0.07 0.00 0.00 57.00 54.27 1xea n GLN 218 Cb 0.65 -0.82 0.11 0.00 2.41 0.00 0.00 30.24 32.59 1xea n GLN 218 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1xea s PHE 219 N -2.27 2.25 -0.36 3.69 5.36 -0.17 -4.73 117.98 121.74 1xea s PHE 219 Ca 0.20 0.24 0.26 0.00 -0.96 0.00 0.00 56.93 56.67 1xea s PHE 219 Cb 0.36 -3.40 0.67 0.00 -0.34 0.00 0.00 43.02 40.31 1xea s PHE 219 CO -0.07 -1.82 1.72 0.78 -1.46 0.00 0.00 175.22 174.37 1xea h GLY 220 N -0.87 0.00 -2.75 13.12 0.00 -1.91 -3.33 103.07 107.33 1xea h GLY 220 Ca -0.43 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1xea h GLY 220 CO 0.50 0.00 -0.08 -1.50 0.00 0.00 0.00 176.54 175.45 1xea s ILE 221 N -3.30 0.05 -0.30 2.60 2.07 -1.26 -4.86 121.20 116.19 1xea s ILE 221 Ca 0.06 -0.89 -0.15 0.00 -1.41 0.00 0.00 60.65 58.26 1xea s ILE 221 Cb 0.07 -1.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.08 1xea s ILE 221 CO 0.62 -0.21 0.35 -0.89 -1.91 0.00 0.00 174.94 172.90 1xea s THR 222 N -3.88 5.18 0.06 4.00 2.01 -1.26 -3.65 115.64 118.10 1xea s THR 222 Ca 0.10 0.35 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 1xea s THR 222 Cb 0.01 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.87 1xea s THR 222 CO -0.04 0.07 0.75 -0.89 -0.69 0.00 0.00 174.62 173.82 1xea s THR 223 N 2.03 0.00 -0.07 -0.82 2.01 -0.78 -4.97 115.64 113.04 1xea s THR 223 Ca 0.13 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1xea s THR 223 Cb -0.16 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1xea s THR 223 CO 0.11 0.00 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.27 1xea s GLU 224 N -3.25 1.26 0.01 4.92 2.12 -1.26 -0.37 118.70 122.12 1xea s GLU 224 Ca 0.02 -0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.21 1xea s GLU 224 Cb -0.01 -1.21 -0.02 0.00 0.26 0.00 0.00 34.13 33.15 1xea s GLU 224 CO -0.10 -0.11 -0.22 -1.01 -0.54 0.00 0.00 175.26 173.28 1xea s HIS 225 N 1.13 1.98 -0.10 5.30 3.76 0.13 -4.17 115.29 123.32 1xea s HIS 225 Ca -0.07 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 1xea s HIS 225 Cb -0.14 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.32 1xea s HIS 225 CO -0.01 0.02 -0.14 0.08 -0.85 0.00 0.00 174.74 173.83 1xea s VAL 226 N -0.63 1.42 -0.02 -0.90 1.01 -0.71 0.13 120.40 120.70 1xea s VAL 226 Ca 0.09 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1xea s VAL 226 Cb -0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1xea s VAL 226 CO 0.00 0.42 -0.25 -0.89 0.00 0.00 0.00 175.10 174.39 1xea s THR 227 N 0.94 1.96 -0.06 3.92 2.01 0.78 -1.21 115.64 123.98 1xea s THR 227 Ca -0.08 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 1xea s THR 227 Cb -0.15 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.77 1xea s THR 227 CO -0.00 0.55 0.13 0.00 -0.69 0.00 0.00 174.62 174.61 1xea s ALA 228 N -0.53 -0.19 -0.06 7.40 0.00 -0.71 -0.19 121.76 127.48 1xea s ALA 228 Ca 0.08 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1xea s ALA 228 Cb -0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1xea s ALA 228 CO -0.00 -0.24 -0.21 -1.54 0.00 0.00 0.00 175.76 173.77 1xea s SER 229 N 1.42 2.62 0.00 0.00 1.04 -0.15 -0.95 113.70 117.68 1xea s SER 229 Ca -0.06 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1xea s SER 229 Cb -0.12 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1xea s SER 229 CO -0.05 0.17 0.00 -1.22 0.98 0.00 0.00 173.24 173.12 1xea n TYR 230 N 3.24 -1.34 -2.46 5.02 4.02 0.22 -0.18 117.16 125.68 1xea n TYR 230 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.27 1xea n TYR 230 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1xea n TYR 230 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xea s ASP 231 N -0.92 6.73 -1.97 7.72 1.01 -1.26 -3.18 116.67 124.79 1xea s ASP 231 Ca 0.00 1.18 0.00 0.00 0.71 0.00 0.00 52.55 54.44 1xea s ASP 231 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1xea s ASP 231 CO 0.00 -1.04 0.00 0.59 0.21 0.00 0.00 175.17 174.93 1xea n ASN 232 N 7.46 -5.74 -3.78 0.27 3.02 -1.26 -4.97 115.26 110.27 1xea n ASN 232 Ca 0.14 0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.78 1xea n ASN 232 Cb 0.47 -4.90 -0.11 0.00 -0.61 0.00 0.00 39.78 34.63 1xea n ASN 232 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xea s VAL 233 N -2.92 0.01 0.04 2.41 1.01 -1.19 -4.29 120.40 115.47 1xea s VAL 233 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1xea s VAL 233 Cb 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.02 1xea s VAL 233 CO 0.00 -0.04 0.42 0.00 0.00 0.00 0.00 175.10 175.48 1xea s ALA 234 N -0.03 -1.02 0.06 5.51 0.00 -0.43 0.71 121.76 126.55 1xea s ALA 234 Ca -0.02 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1xea s ALA 234 Cb -0.02 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1xea s ALA 234 CO 0.01 -0.46 -0.12 0.71 0.00 0.00 0.00 175.76 175.90 1xea s TYR 235 N -2.49 1.05 -0.14 0.00 1.51 -0.12 -0.31 117.35 116.86 1xea s TYR 235 Ca -0.05 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1xea s TYR 235 Cb -0.01 -0.60 0.06 0.00 -0.11 0.00 0.00 41.96 41.30 1xea s TYR 235 CO -0.02 0.01 0.13 -1.17 -1.11 0.00 0.00 175.55 173.39 1xea s LEU 236 N -1.54 0.11 -0.25 -1.29 0.20 -0.65 -1.75 118.68 113.51 1xea s LEU 236 Ca -0.03 -0.19 -0.07 0.00 0.69 0.00 0.00 54.13 54.53 1xea s LEU 236 Cb -0.09 0.03 -0.02 0.00 -0.43 0.00 0.00 46.19 45.68 1xea s LEU 236 CO 0.02 -0.30 0.06 -0.36 -0.29 0.00 0.00 176.35 175.47 1xea s PHE 237 N 2.22 3.08 -1.57 5.38 0.40 -0.35 -0.38 117.98 126.76 1xea s PHE 237 Ca 0.04 -0.58 0.25 0.00 -0.60 0.00 0.00 56.93 56.03 1xea s PHE 237 Cb -0.14 -2.22 0.44 0.00 0.51 0.00 0.00 43.02 41.60 1xea s PHE 237 CO -0.08 -0.42 1.36 -0.40 0.70 0.00 0.00 175.22 176.38 1xea n ASP 238 N 4.90 1.12 -1.01 1.36 5.75 -1.23 -1.73 116.55 125.70 1xea n ASP 238 Ca -0.16 -0.89 -0.00 0.00 -0.01 0.00 0.00 54.79 53.72 1xea n ASP 238 Cb 0.51 0.33 -0.00 0.00 -1.03 0.00 0.00 41.12 40.92 1xea n ASP 238 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xea n SER 239 N -0.80 -0.01 -0.54 -1.12 3.41 -1.24 -4.58 113.62 108.74 1xea n SER 239 Ca 0.09 -1.01 0.12 0.00 -0.26 0.00 0.00 58.87 57.81 1xea n SER 239 Cb 0.37 0.02 0.19 0.00 -0.26 0.00 0.00 64.21 64.53 1xea n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xea n PHE 240 N -0.00 0.00 -0.02 7.33 0.99 -1.26 -4.34 117.46 120.16 1xea n PHE 240 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1xea n PHE 240 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.46 1xea n PHE 240 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xea n THR 241 N 0.18 0.00 -3.91 4.37 -2.24 -1.26 -4.56 114.28 106.85 1xea n THR 241 Ca 0.13 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1xea n THR 241 Cb 0.45 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 1xea n THR 241 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1xea s GLN 242 N -0.70 0.61 0.19 -0.78 0.74 -1.26 -1.19 119.66 117.26 1xea s GLN 242 Ca 0.00 -0.71 -0.17 0.00 0.05 0.00 0.00 55.36 54.53 1xea s GLN 242 Cb 0.00 0.24 0.06 0.00 1.10 0.00 0.00 33.01 34.42 1xea s GLN 242 CO 0.00 -0.16 0.84 0.41 -0.55 0.00 0.00 175.29 175.83 1xea n GLY 243 N 0.77 0.78 0.00 2.59 0.00 -0.00 -3.53 105.19 105.80 1xea n GLY 243 Ca -0.19 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1xea n GLY 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xea n LYS 244 N -0.59 3.43 -3.31 1.61 5.02 0.49 -2.18 118.16 122.63 1xea n LYS 244 Ca -0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1xea n LYS 244 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 1xea n LYS 244 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xea s TRP 246 N 0.71 -0.59 -0.18 2.13 0.51 0.58 -1.64 118.94 120.45 1xea s TRP 246 Ca 0.00 0.92 -0.13 0.00 -2.12 0.00 0.00 56.10 54.77 1xea s TRP 246 Cb 0.00 0.32 0.05 0.00 -0.81 0.00 0.00 33.47 33.03 1xea s TRP 246 CO 0.00 -0.30 0.46 0.50 -0.51 0.00 0.00 176.95 177.09 1xea s ARG 247 N 2.51 0.49 -1.56 4.98 3.52 -0.60 -1.32 118.95 126.97 1xea s ARG 247 Ca -0.01 0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 56.30 1xea s ARG 247 Cb -0.06 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 1xea s ARG 247 CO -0.16 -0.11 0.31 -0.25 -0.81 0.00 0.00 175.30 174.28 1xea n ASP 248 N 3.51 -5.58 -1.83 -2.12 8.00 -1.26 -1.10 116.55 116.17 1xea n ASP 248 Ca -0.18 -0.15 -0.19 0.00 0.71 0.00 0.00 54.79 54.99 1xea n ASP 248 Cb 0.56 -4.59 -0.04 0.00 -0.02 0.00 0.00 41.12 37.03 1xea n ASP 248 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xea n ASN 249 N -2.24 -5.41 -4.31 -2.24 5.15 -1.26 -4.98 115.26 99.97 1xea n ASN 249 Ca -0.16 0.22 -0.23 0.00 -0.60 0.00 0.00 54.58 53.82 1xea n ASN 249 Cb 0.64 -4.52 -0.12 0.00 -0.53 0.00 0.00 39.78 35.25 1xea n ASN 249 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1xea s GLN 250 N -4.31 1.19 -0.10 1.20 -0.21 -0.26 -5.14 119.66 112.05 1xea s GLN 250 Ca 0.00 -1.28 0.03 0.00 0.02 0.00 0.00 55.36 54.13 1xea s GLN 250 Cb 0.00 -1.35 -0.01 0.00 1.00 0.00 0.00 33.01 32.65 1xea s GLN 250 CO 0.00 0.29 -0.19 -2.00 -2.12 0.00 0.00 175.29 171.27 1xea s GLU 251 N -2.35 2.99 0.05 2.91 2.12 -1.26 -1.56 118.70 121.60 1xea s GLU 251 Ca 0.11 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 1xea s GLU 251 Cb -0.08 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1xea s GLU 251 CO 0.05 0.29 -0.03 -1.54 -0.54 0.00 0.00 175.26 173.49 1xea s SER 252 N 0.10 0.54 -0.13 -1.70 1.04 -1.26 -5.03 113.70 107.26 1xea s SER 252 Ca -0.09 -0.97 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 1xea s SER 252 Cb -0.15 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 1xea s SER 252 CO 0.06 -0.57 0.26 -0.60 0.98 0.00 0.00 173.24 173.37 1xea s ARG 253 N -3.74 4.04 -0.05 4.02 3.52 -1.26 -4.38 118.95 121.08 1xea s ARG 253 Ca 0.06 0.06 0.05 0.00 -0.13 0.00 0.00 55.73 55.77 1xea s ARG 253 Cb 0.06 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 1xea s ARG 253 CO -0.09 0.42 -0.20 0.14 -0.81 0.00 0.00 175.30 174.76 1xea s VAL 254 N -0.07 2.51 0.30 7.11 -7.23 -0.93 -5.00 120.40 117.10 1xea s VAL 254 Ca 0.16 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 1xea s VAL 254 Cb -0.13 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.87 1xea s VAL 254 CO 0.05 0.57 0.55 0.00 -0.31 0.00 0.00 175.10 175.96 1xea s ALA 255 N -0.40 -0.11 0.22 1.32 0.00 -1.26 -0.82 121.76 120.70 1xea s ALA 255 Ca 0.04 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 1xea s ALA 255 Cb -0.12 1.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.92 1xea s ALA 255 CO 0.02 -0.87 0.71 -1.17 0.00 0.00 0.00 175.76 174.44 1xea s LEU 256 N -3.08 4.33 0.41 0.00 2.96 -0.33 -4.99 118.68 117.97 1xea s LEU 256 Ca 0.23 1.39 -0.26 0.00 -0.22 0.00 0.00 54.13 55.26 1xea s LEU 256 Cb -0.02 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 1xea s LEU 256 CO 0.13 0.03 1.34 0.29 -1.32 0.00 0.00 176.35 176.81 1xea n LYS 257 N 0.68 2.14 -1.02 1.98 5.02 -1.26 -4.92 118.16 120.78 1xea n LYS 257 Ca -0.02 0.76 -0.33 0.00 -2.02 0.00 0.00 58.31 56.69 1xea n LYS 257 Cb 0.51 -2.47 0.13 0.00 -0.02 0.00 0.00 35.03 33.18 1xea n LYS 257 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xea n ASP 258 N 0.25 0.60 -0.20 4.39 2.03 -1.26 -2.88 116.55 119.47 1xea n ASP 258 Ca 0.05 0.54 -0.03 0.00 0.52 0.00 0.00 54.79 55.88 1xea n ASP 258 Cb 0.39 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 39.31 1xea n ASP 258 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1xea n TRP 259 N -3.43 0.00 -2.83 -0.67 7.02 -1.26 -4.99 117.44 111.27 1xea n TRP 259 Ca 0.13 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.18 1xea n TRP 259 Cb 0.51 -0.96 -0.04 0.00 -2.42 0.00 0.00 31.31 28.40 1xea n TRP 259 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1xea s THR 260 N -1.90 4.72 0.00 -0.99 2.01 -1.14 -5.18 115.64 113.17 1xea s THR 260 Ca 0.00 1.48 0.00 0.00 0.31 0.00 0.00 61.69 63.48 1xea s THR 260 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1xea s THR 260 CO 0.00 -0.26 0.00 -0.81 -0.69 0.00 0.00 174.62 172.86 1xea n PRO 261 N 6.34 3.01 0.00 4.92 -0.04 -1.26 -4.79 135.00 143.18 1xea n PRO 261 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1xea n PRO 261 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1xea n PRO 261 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xea n LEU 263 N 0.00 0.00 -0.02 1.53 4.77 -1.26 -2.30 117.00 119.72 1xea n LEU 263 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1xea n LEU 263 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1xea n LEU 263 CO 0.00 0.00 0.35 0.00 -1.33 0.00 0.00 177.39 176.41 1xea h ALA 264 N 0.00 0.19 -0.73 -1.18 0.00 -1.94 -1.23 119.26 114.36 1xea h ALA 264 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1xea h ALA 264 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xea h ALA 264 CO 0.00 0.39 0.28 0.66 0.00 0.00 0.00 179.25 180.57 1xea h SER 265 N 0.11 1.01 0.00 0.00 4.64 -1.77 -0.85 113.55 116.69 1xea h SER 265 Ca -0.04 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1xea h SER 265 Cb 1.17 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1xea h SER 265 CO 0.11 0.91 0.00 0.29 -0.87 0.00 0.00 176.83 177.26 1xea n LYS 266 N -4.28 0.77 -0.98 4.77 5.02 -1.23 -4.45 118.16 117.78 1xea n LYS 266 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1xea n LYS 266 Cb 0.19 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1xea n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xea n GLY 267 N 0.38 0.75 0.26 0.72 0.00 -0.33 -4.68 105.19 102.29 1xea n GLY 267 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1xea n GLY 267 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xea h PHE 268 N 0.00 0.84 0.47 1.61 -1.00 -1.40 -3.17 116.94 114.29 1xea h PHE 268 Ca 0.00 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.58 1xea h PHE 268 Cb 0.00 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.36 1xea h PHE 268 CO 0.00 0.88 -0.23 -0.44 -1.61 0.00 0.00 178.31 176.92 1xea h ASP 269 N 0.65 -0.54 0.00 2.17 3.45 -1.79 -1.58 116.42 118.79 1xea h ASP 269 Ca 0.10 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1xea h ASP 269 Cb 0.70 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 1xea h ASP 269 CO 0.05 -0.38 0.00 0.00 -1.57 0.00 0.00 179.24 177.35 1xea n ALA 270 N -2.37 0.95 0.00 3.45 0.00 -1.20 -1.30 120.51 120.04 1xea n ALA 270 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xea n ALA 270 Cb 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1xea n ALA 270 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xea n VAL 272 N 0.54 0.00 -0.20 0.00 0.31 -0.59 -1.73 118.33 116.66 1xea n VAL 272 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1xea n VAL 272 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1xea n VAL 272 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1xea h GLN 273 N 0.00 -0.14 0.77 5.55 5.75 -1.44 0.13 115.11 125.73 1xea h GLN 273 Ca 0.00 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1xea h GLN 273 Cb 0.00 0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.59 1xea h GLN 273 CO 0.00 -0.09 -0.37 0.22 -2.65 0.00 0.00 178.83 175.94 1xea h ASP 274 N -0.15 -0.88 -0.97 -0.69 1.82 -1.61 -2.19 116.42 111.76 1xea h ASP 274 Ca 0.24 0.03 0.32 0.00 -0.39 0.00 0.00 57.03 57.23 1xea h ASP 274 Cb 0.54 0.23 -0.17 0.00 0.68 0.00 0.00 39.33 40.61 1xea h ASP 274 CO -0.67 -0.63 0.32 -0.25 -1.61 0.00 0.00 179.24 176.40 1xea h TRP 275 N -1.04 0.46 -0.11 0.28 -0.00 -1.53 0.18 115.95 114.20 1xea h TRP 275 Ca -0.11 0.05 -0.04 0.00 -0.00 0.00 0.00 58.89 58.80 1xea h TRP 275 Cb 0.79 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.91 1xea h TRP 275 CO -0.02 -0.36 -0.09 -0.07 -0.00 0.00 0.00 178.44 177.90 1xea h LEU 276 N 0.10 0.27 -2.77 0.65 3.38 -0.58 -0.40 115.31 115.96 1xea h LEU 276 Ca 0.69 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xea h LEU 276 Cb 1.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1xea h LEU 276 CO -0.77 0.68 0.00 1.56 0.09 0.00 0.00 178.44 180.00 1xea h GLN 277 N -0.13 0.00 0.10 1.13 4.20 -0.07 -0.40 115.11 119.93 1xea h GLN 277 Ca 0.02 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.37 1xea h GLN 277 Cb 0.59 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1xea h GLN 277 CO 0.02 0.00 -2.02 0.28 -0.67 0.00 0.00 178.83 176.44 1xea n VAL 278 N -2.96 1.73 -0.11 -0.54 0.31 -0.24 -3.07 118.33 113.45 1xea n VAL 278 Ca -0.03 -0.67 -0.11 0.00 -0.01 0.00 0.00 64.34 63.53 1xea n VAL 278 Cb 0.07 -1.60 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 1xea n VAL 278 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xea h ALA 279 N 0.18 0.42 -0.31 3.52 0.00 -0.18 0.22 119.26 123.10 1xea h ALA 279 Ca -0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1xea h ALA 279 Cb 2.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1xea h ALA 279 CO 0.07 0.16 0.06 0.00 0.00 0.00 0.00 179.25 179.53 1xea h ALA 280 N 0.85 0.41 0.00 0.00 0.00 -1.29 -2.52 119.26 116.71 1xea h ALA 280 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xea h ALA 280 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xea h ALA 280 CO 0.01 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1xea h ALA 281 N 0.89 1.00 0.00 0.00 0.00 -1.46 -3.46 119.26 116.23 1xea h ALA 281 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xea h ALA 281 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xea h ALA 281 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1xea n GLY 282 N 0.25 1.04 3.50 0.00 0.00 0.75 -4.93 105.19 105.80 1xea n GLY 282 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1xea n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xea s LYS 283 N 0.00 2.80 -0.21 1.61 1.02 -1.22 -3.96 119.74 119.77 1xea s LYS 283 Ca 0.00 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 1xea s LYS 283 Cb 0.00 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1xea s LYS 283 CO 0.00 0.56 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.70 1xea s LEU 284 N -0.53 2.66 0.33 3.17 2.96 -1.26 -4.75 118.68 121.25 1xea s LEU 284 Ca 0.08 -0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 53.11 1xea s LEU 284 Cb -0.12 -1.61 -0.15 0.00 0.50 0.00 0.00 46.19 44.81 1xea s LEU 284 CO 0.02 -0.04 0.58 -0.81 -1.32 0.00 0.00 176.35 174.78 1xea n PRO 285 N 4.69 0.51 0.15 0.98 -0.04 -1.26 -4.80 135.00 135.23 1xea n PRO 285 Ca -0.19 0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1xea n PRO 285 Cb 0.49 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 1xea n PRO 285 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xea h THR 286 N 1.05 0.18 -0.91 0.52 2.02 -2.00 -2.60 112.91 111.17 1xea h THR 286 Ca -0.36 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.03 1xea h THR 286 Cb 1.40 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 1xea h THR 286 CO 0.54 0.00 0.61 1.12 0.37 0.00 0.00 175.52 178.16 1xea h HIS 287 N -0.68 0.47 -0.54 3.16 2.07 -1.98 0.19 115.15 117.84 1xea h HIS 287 Ca 0.01 0.01 -0.10 0.00 -2.85 0.00 0.00 60.37 57.45 1xea h HIS 287 Cb 0.68 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.50 1xea h HIS 287 CO -0.32 0.11 -0.04 0.82 -3.07 0.00 0.00 177.93 175.43 1xea h ILE 288 N 0.34 1.27 -0.35 6.12 2.04 -1.82 0.58 117.51 125.70 1xea h ILE 288 Ca 0.47 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 1xea h ILE 288 Cb 1.28 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1xea h ILE 288 CO -0.16 0.41 -0.16 0.40 0.00 0.00 0.00 178.15 178.64 1xea h ILE 289 N 0.85 1.29 -0.47 -0.67 2.04 -0.56 -1.46 117.51 118.53 1xea h ILE 289 Ca 0.15 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 1xea h ILE 289 Cb 0.59 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1xea h ILE 289 CO 0.04 0.42 0.12 -0.33 0.00 0.00 0.00 178.15 178.40 1xea h GLU 290 N 0.51 0.70 0.08 2.37 5.08 -0.73 -2.17 114.58 120.42 1xea h GLU 290 Ca 0.08 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xea h GLU 290 Cb 0.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xea h GLU 290 CO 0.05 0.63 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.56 1xea h ARG 291 N 0.68 -0.11 -0.23 2.33 2.43 -0.67 -1.66 114.38 117.16 1xea h ARG 291 Ca 0.16 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1xea h ARG 291 Cb 0.24 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1xea h ARG 291 CO -0.00 0.26 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.76 1xea h ASN 292 N -0.48 -0.17 0.44 -3.80 2.35 -1.14 0.03 115.58 112.80 1xea h ASN 292 Ca -0.01 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1xea h ASN 292 Cb 0.41 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1xea h ASN 292 CO 0.02 -0.06 -0.35 0.25 -1.65 0.00 0.00 177.43 175.64 1xea h LEU 293 N 0.02 -0.92 -0.81 1.61 5.85 -1.42 -2.23 115.31 117.41 1xea h LEU 293 Ca 0.11 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.08 1xea h LEU 293 Cb 0.16 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 41.34 1xea h LEU 293 CO -0.22 -0.52 -0.10 0.00 -0.34 0.00 0.00 178.44 177.26 1xea h ALA 294 N -0.37 0.69 -0.90 1.25 0.00 -0.87 0.26 119.26 119.33 1xea h ALA 294 Ca -0.04 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1xea h ALA 294 Cb 0.68 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1xea h ALA 294 CO -0.01 -0.43 0.50 0.77 0.00 0.00 0.00 179.25 180.08 1xea h SER 295 N 0.04 1.11 0.86 0.00 0.02 -0.65 0.20 113.55 115.13 1xea h SER 295 Ca 0.42 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 1xea h SER 295 Cb 0.71 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1xea h SER 295 CO -0.78 0.88 -0.63 0.45 -1.14 0.00 0.00 176.83 175.61 1xea h HIS 296 N 1.25 0.00 -0.09 3.45 -0.00 -0.21 -1.33 115.15 118.22 1xea h HIS 296 Ca 0.32 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.59 1xea h HIS 296 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1xea h HIS 296 CO 0.01 0.63 -0.31 1.96 -0.00 0.00 0.00 177.93 180.21 1xea h GLN 297 N 0.00 0.37 -0.59 2.45 4.20 0.06 -2.31 115.11 119.28 1xea h GLN 297 Ca -0.01 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1xea h GLN 297 Cb 1.23 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.03 1xea h GLN 297 CO 0.08 0.91 0.32 1.25 -0.67 0.00 0.00 178.83 180.72 1xea h LEU 298 N -0.09 0.72 0.40 1.46 6.46 -0.61 -0.47 115.31 123.18 1xea h LEU 298 Ca -0.01 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1xea h LEU 298 Cb 0.95 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1xea h LEU 298 CO 0.07 0.59 -0.21 0.00 -0.62 0.00 0.00 178.44 178.26 1xea h ALA 299 N 1.53 -0.57 -0.13 1.25 0.00 -1.13 -0.91 119.26 119.30 1xea h ALA 299 Ca 0.21 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xea h ALA 299 Cb 0.03 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1xea h ALA 299 CO -0.03 -0.82 -0.14 0.93 0.00 0.00 0.00 179.25 179.18 1xea h GLU 300 N -0.57 -0.16 -0.47 0.00 4.39 -0.93 -0.83 114.58 116.01 1xea h GLU 300 Ca -0.05 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.76 1xea h GLU 300 Cb 0.45 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.04 1xea h GLU 300 CO 0.07 -0.11 -0.20 0.00 -1.16 0.00 0.00 179.01 177.61 1xea h ALA 301 N 0.91 0.15 -0.32 3.43 0.00 -0.92 0.17 119.26 122.68 1xea h ALA 301 Ca 0.09 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xea h ALA 301 Cb 0.30 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1xea h ALA 301 CO -0.24 -0.55 0.19 0.82 0.00 0.00 0.00 179.25 179.48 1xea h ILE 302 N -0.10 1.10 0.44 0.00 2.04 -0.58 -0.71 117.51 119.69 1xea h ILE 302 Ca 0.22 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1xea h ILE 302 Cb 0.45 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1xea h ILE 302 CO -0.54 0.10 -0.21 0.00 0.00 0.00 0.00 178.15 177.50 1xea h GLN 304 N -1.04 0.83 -0.31 0.00 4.20 -1.12 0.61 115.11 118.27 1xea h GLN 304 Ca -0.06 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.65 1xea h GLN 304 Cb 0.45 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1xea h GLN 304 CO 0.10 0.55 0.02 0.37 -0.67 0.00 0.00 178.83 179.19 1xea h GLN 305 N 0.85 0.11 0.06 1.46 5.75 -1.19 0.19 115.11 122.34 1xea h GLN 305 Ca 0.40 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1xea h GLN 305 Cb 0.34 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1xea h GLN 305 CO -0.23 0.07 -0.03 0.82 -2.65 0.00 0.00 178.83 176.81 1xea h ILE 306 N 0.11 1.21 -0.87 2.39 2.04 -0.50 -2.84 117.51 119.05 1xea h ILE 306 Ca 0.15 -0.97 0.21 0.00 1.00 0.00 0.00 64.86 65.24 1xea h ILE 306 Cb 0.19 1.84 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1xea h ILE 306 CO -0.23 0.24 0.59 0.74 0.00 0.00 0.00 178.15 179.49 1xea h THR 307 N -0.52 0.67 0.12 -0.27 2.02 0.46 -0.89 112.91 114.49 1xea h THR 307 Ca -0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1xea h THR 307 Cb 0.46 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1xea h THR 307 CO 0.01 0.06 -0.06 -0.61 0.37 0.00 0.00 175.52 175.30 1xea h GLN 308 N 0.33 -0.15 -0.88 6.66 4.15 -0.55 -2.59 115.11 122.08 1xea h GLN 308 Ca 0.45 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.86 1xea h GLN 308 Cb 1.22 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 1xea h GLN 308 CO -0.14 0.31 0.49 1.96 -1.93 0.00 0.00 178.83 179.52 1xea h GLN 309 N -0.71 1.22 0.00 1.69 4.20 -1.18 0.96 115.11 121.28 1xea h GLN 309 Ca -0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1xea h GLN 309 Cb 0.53 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1xea h GLN 309 CO 0.03 0.89 -0.08 0.28 -0.67 0.00 0.00 178.83 179.27 1xea h VAL 310 N 1.22 0.28 0.02 -0.54 2.07 -1.25 -2.82 116.25 115.23 1xea h VAL 310 Ca 0.31 -0.56 -0.34 0.00 0.82 0.00 0.00 66.70 66.93 1xea h VAL 310 Cb 0.01 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1xea h VAL 310 CO -0.05 0.08 -2.02 0.41 0.02 0.00 0.00 177.57 176.01 1xea n THR 311 N -3.31 1.57 1.03 2.57 -1.04 -0.36 -5.09 114.28 109.65 1xea n THR 311 Ca -0.01 -0.77 0.08 0.00 -2.04 0.00 0.00 64.05 61.32 1xea n THR 311 Cb 0.28 -1.05 0.49 0.00 -1.82 0.00 0.00 70.33 68.22 1xea n THR 311 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72