#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 2.38 -0.36 2.46 1.43 -0.75 -5.03 118.68 118.81 1xea s LEU 3 Ca 0.00 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 1xea s LEU 3 Cb 0.00 -0.06 0.10 0.00 0.03 0.00 0.00 46.19 46.26 1xea s LEU 3 CO 0.00 -0.36 0.09 -0.75 0.23 0.00 0.00 176.35 175.56 1xea s LYS 4 N -2.68 1.68 -0.05 1.70 2.20 -1.26 -1.10 119.74 120.23 1xea s LYS 4 Ca -0.00 -1.83 -0.05 0.00 -0.36 0.00 0.00 55.97 53.72 1xea s LYS 4 Cb -0.02 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1xea s LYS 4 CO -0.03 -0.96 0.18 0.42 -0.36 0.00 0.00 175.35 174.60 1xea s ILE 5 N 0.99 5.45 0.00 5.43 1.09 -0.34 0.44 121.20 134.25 1xea s ILE 5 Ca 0.09 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 1xea s ILE 5 Cb -0.20 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 1xea s ILE 5 CO -0.07 0.45 0.00 0.00 -0.10 0.00 0.00 174.94 175.23 1xea n ALA 6 N 1.40 0.00 -3.37 9.38 0.00 -0.21 -1.60 120.51 126.11 1xea n ALA 6 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 1xea n ALA 6 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 1.79 -0.21 0.00 0.00 1.09 -1.26 -4.37 121.20 118.25 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 4.43 -0.24 3.45 6.18 0.00 0.14 -0.61 105.19 118.54 1xea n GLY 9 Ca -0.10 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1xea n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xea s LEU 10 N -0.44 5.11 0.00 0.99 1.43 -1.26 -3.85 118.68 120.66 1xea s LEU 10 Ca 0.00 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.57 1xea s LEU 10 Cb 0.00 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1xea s LEU 10 CO 0.00 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1xea n GLY 11 N 4.77 3.65 0.00 -3.19 0.00 -1.26 -4.83 105.19 104.33 1xea n GLY 11 Ca 0.30 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1xea n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xea n ASP 12 N -0.17 0.00 -0.22 1.61 4.64 -1.26 -0.45 116.55 120.69 1xea n ASP 12 Ca 0.00 0.91 0.16 0.00 -1.38 0.00 0.00 54.79 54.48 1xea n ASP 12 Cb 0.00 -0.41 0.48 0.00 -1.04 0.00 0.00 41.12 40.15 1xea n ASP 12 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1xea h ILE 13 N 0.00 0.75 -0.33 5.18 5.03 -1.97 0.10 117.51 126.27 1xea h ILE 13 Ca 0.00 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 1xea h ILE 13 Cb 0.00 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.01 1xea h ILE 13 CO 0.00 0.09 0.13 0.00 -0.68 0.00 0.00 178.15 177.68 1xea h ALA 14 N 1.62 0.44 -0.09 1.87 0.00 -1.69 -0.96 119.26 120.45 1xea h ALA 14 Ca 0.43 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xea h ALA 14 Cb 0.96 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xea h ALA 14 CO -0.17 0.04 -0.35 1.96 0.00 0.00 0.00 179.25 180.74 1xea h GLN 15 N 0.39 0.39 -0.38 0.00 4.20 0.51 0.33 115.11 120.55 1xea h GLN 15 Ca 0.11 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1xea h GLN 15 Cb 0.20 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1xea h GLN 15 CO -0.01 0.94 -0.03 0.87 -0.67 0.00 0.00 178.83 179.93 1xea h LYS 16 N -0.06 0.69 0.00 1.46 1.57 -0.85 -3.37 116.57 116.02 1xea h LYS 16 Ca -0.02 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1xea h LYS 16 Cb 0.99 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1xea h LYS 16 CO 0.07 0.81 -0.13 0.00 -0.57 0.00 0.00 179.45 179.63 1xea n ALA 17 N -2.41 2.42 0.09 3.86 0.00 -0.38 -4.74 120.51 119.34 1xea n ALA 17 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1xea n ALA 17 Cb 0.31 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.13 -0.54 -0.43 0.00 -1.99 -1.54 -2.54 116.97 109.80 1xea h TYR 18 Ca 0.00 0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.83 1xea h TYR 18 Cb 0.13 0.22 -0.09 0.00 2.00 0.00 0.00 36.73 38.99 1xea h TYR 18 CO -0.06 -0.24 -0.26 1.25 -0.00 0.00 0.00 178.16 178.85 1xea h LEU 19 N -0.34 -0.87 -2.87 3.88 5.85 -0.58 0.19 115.31 120.57 1xea h LEU 19 Ca -0.02 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1xea h LEU 19 Cb 0.31 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1xea h LEU 19 CO -0.05 -0.27 -0.00 1.55 -0.34 0.00 0.00 178.44 179.32 1xea h PRO 20 N -0.17 0.00 0.16 5.25 0.13 -1.71 -0.93 132.00 134.73 1xea h PRO 20 Ca 0.20 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.02 1xea h PRO 20 Cb 0.49 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1xea h PRO 20 CO -0.53 0.00 -1.52 0.28 -0.23 0.00 0.00 178.00 176.00 1xea h VAL 21 N 0.00 1.05 -0.07 1.56 2.07 -0.24 -3.34 116.25 117.28 1xea h VAL 21 Ca -0.00 -2.48 -0.17 0.00 0.82 0.00 0.00 66.70 64.87 1xea h VAL 21 Cb 0.02 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1xea h VAL 21 CO 0.00 0.78 -0.68 -0.07 0.02 0.00 0.00 177.57 177.62 1xea h LEU 22 N -0.09 0.34 0.00 2.57 4.07 -0.79 -2.71 115.31 118.70 1xea h LEU 22 Ca -0.31 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1xea h LEU 22 Cb 1.94 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.58 1xea h LEU 22 CO 0.14 0.92 0.00 0.00 -1.08 0.00 0.00 178.44 178.42 1xea n ALA 23 N -2.48 1.80 -0.07 1.53 0.00 -0.39 -1.45 120.51 119.45 1xea n ALA 23 Ca -0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1xea n ALA 23 Cb 0.67 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1xea n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xea n GLN 24 N -1.17 1.68 -1.72 0.00 7.27 -1.07 -5.00 117.38 117.36 1xea n GLN 24 Ca 0.07 0.01 -0.43 0.00 0.07 0.00 0.00 57.00 56.72 1xea n GLN 24 Cb 0.07 -1.34 -0.02 0.00 2.41 0.00 0.00 30.24 31.37 1xea n GLN 24 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1xea n TRP 25 N -2.55 2.63 -2.94 3.69 7.02 -0.53 -4.98 117.44 119.78 1xea n TRP 25 Ca -0.22 0.29 -0.38 0.00 -1.02 0.00 0.00 57.50 56.17 1xea n TRP 25 Cb 0.91 -2.56 -0.06 0.00 -2.42 0.00 0.00 31.31 27.18 1xea n TRP 25 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1xea s PRO 26 N -0.32 4.50 -0.79 -0.99 0.04 -1.26 -3.97 135.00 132.21 1xea s PRO 26 Ca 0.66 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1xea s PRO 26 Cb -0.55 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1xea s PRO 26 CO 0.47 0.43 0.13 -0.25 0.04 0.00 0.00 177.00 177.82 1xea n ASP 27 N 1.01 -3.47 -3.87 6.66 8.00 -1.26 -4.93 116.55 118.70 1xea n ASP 27 Ca -0.02 -0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 1xea n ASP 27 Cb 0.50 -2.57 -0.17 0.00 -0.02 0.00 0.00 41.12 38.85 1xea n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xea s ILE 28 N -2.64 0.82 -0.19 0.53 -1.09 -1.26 -1.81 121.20 115.58 1xea s ILE 28 Ca 0.06 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.20 1xea s ILE 28 Cb -0.03 -0.88 -0.05 0.00 -1.58 0.00 0.00 42.46 39.93 1xea s ILE 28 CO 0.08 0.33 0.19 -1.61 -1.23 0.00 0.00 174.94 172.70 1xea s GLU 29 N 1.71 4.21 0.03 2.79 2.02 -0.26 -4.99 118.70 124.21 1xea s GLU 29 Ca 0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 1xea s GLU 29 Cb -0.13 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1xea s GLU 29 CO -0.06 0.28 0.20 -0.51 0.02 0.00 0.00 175.26 175.18 1xea s LEU 30 N 0.39 4.36 -0.42 1.80 1.43 -1.26 -1.20 118.68 123.78 1xea s LEU 30 Ca 0.11 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1xea s LEU 30 Cb -0.12 -2.81 0.14 0.00 0.03 0.00 0.00 46.19 43.43 1xea s LEU 30 CO 0.00 0.21 0.23 -0.69 0.23 0.00 0.00 176.35 176.33 1xea s VAL 31 N -1.43 1.18 0.37 -1.59 1.01 -0.62 -4.43 120.40 114.88 1xea s VAL 31 Ca 0.32 -2.40 -0.28 0.00 0.00 0.00 0.00 61.98 59.62 1xea s VAL 31 Cb -0.13 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 1xea s VAL 31 CO 0.24 -0.91 1.34 -0.76 0.00 0.00 0.00 175.10 175.01 1xea s LEU 32 N 0.49 4.33 -0.18 3.92 1.43 -0.48 -4.50 118.68 123.69 1xea s LEU 32 Ca 0.18 2.74 -0.08 0.00 -1.03 0.00 0.00 54.13 55.94 1xea s LEU 32 Cb -0.24 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.30 1xea s LEU 32 CO 0.00 -0.72 0.40 0.00 0.23 0.00 0.00 176.35 176.27 1xea s THR 34 N 1.93 0.00 0.07 0.00 -1.32 -1.03 -0.68 115.64 114.62 1xea s THR 34 Ca -0.06 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.17 1xea s THR 34 Cb -0.10 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.78 1xea s THR 34 CO -0.12 0.00 1.40 0.03 -2.21 0.00 0.00 174.62 173.72 1xea h ARG 35 N 2.74 -0.55 -6.10 7.08 2.47 -1.88 -3.39 114.38 114.74 1xea h ARG 35 Ca -0.23 0.04 -0.58 0.00 -1.26 0.00 0.00 59.98 57.95 1xea h ARG 35 Cb 1.16 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1xea h ARG 35 CO 0.35 -0.37 1.40 1.21 0.56 0.00 0.00 179.97 183.12 1xea s ASN 36 N -3.99 5.73 0.32 7.04 3.84 -1.26 -4.87 114.94 121.75 1xea s ASN 36 Ca -0.12 1.97 0.04 0.00 0.21 0.00 0.00 52.86 54.96 1xea s ASN 36 Cb 0.04 -2.52 0.54 0.00 -0.55 0.00 0.00 41.25 38.76 1xea s ASN 36 CO 0.44 -1.73 1.81 1.55 -2.79 0.00 0.00 177.10 176.37 1xea h PRO 37 N 13.79 0.45 0.55 0.43 0.13 -1.96 -1.45 132.00 143.93 1xea h PRO 37 Ca -0.42 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1xea h PRO 37 Cb 1.23 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1xea h PRO 37 CO 0.97 0.59 -0.26 0.87 -0.23 0.00 0.00 178.00 179.93 1xea h LYS 38 N 0.41 -0.71 -0.91 0.86 1.57 -1.96 -0.84 116.57 114.99 1xea h LYS 38 Ca 0.07 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1xea h LYS 38 Cb 0.51 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 1xea h LYS 38 CO 0.03 -0.42 0.60 0.28 -0.57 0.00 0.00 179.45 179.37 1xea h VAL 39 N -0.87 1.17 0.12 0.50 2.07 -1.96 -0.22 116.25 117.07 1xea h VAL 39 Ca -0.08 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1xea h VAL 39 Cb 0.62 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1xea h VAL 39 CO 0.12 0.21 -0.18 0.25 0.02 0.00 0.00 177.57 178.00 1xea h LEU 40 N 1.16 -0.49 -0.95 2.57 5.85 -1.04 -2.00 115.31 120.42 1xea h LEU 40 Ca 0.36 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 1xea h LEU 40 Cb -0.02 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1xea h LEU 40 CO -0.10 -0.26 -0.19 1.23 -0.34 0.00 0.00 178.44 178.78 1xea h GLY 41 N -0.36 0.60 0.87 3.75 0.00 -0.75 0.16 103.07 107.35 1xea h GLY 41 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1xea h GLY 41 CO -0.08 0.42 -0.49 -0.84 0.00 0.00 0.00 176.54 175.55 1xea h THR 42 N 0.50 0.00 -0.31 4.70 2.02 -0.78 -0.68 112.91 118.36 1xea h THR 42 Ca 0.08 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1xea h THR 42 Cb 0.61 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1xea h THR 42 CO 0.04 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 176.05 1xea h LEU 43 N -1.26 0.31 -1.20 2.58 3.38 -1.33 -0.85 115.31 116.95 1xea h LEU 43 Ca -0.12 -0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.09 1xea h LEU 43 Cb 1.00 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1xea h LEU 43 CO 0.15 0.23 0.63 0.00 0.09 0.00 0.00 178.44 179.54 1xea h ALA 44 N 1.13 1.99 -0.02 1.53 0.00 -0.55 0.36 119.26 123.70 1xea h ALA 44 Ca 0.12 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xea h ALA 44 Cb -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xea h ALA 44 CO -0.04 -0.40 -0.30 1.15 0.00 0.00 0.00 179.25 179.65 1xea h THR 45 N 0.52 1.49 -0.42 0.00 2.02 -0.44 0.46 112.91 116.54 1xea h THR 45 Ca 0.60 -1.87 0.04 0.00 0.77 0.00 0.00 66.41 65.95 1xea h THR 45 Cb 1.28 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 1xea h THR 45 CO -0.36 0.52 0.28 -0.09 0.37 0.00 0.00 175.52 176.25 1xea h ARG 46 N -0.36 0.41 -0.25 6.66 2.43 0.52 -1.71 114.38 122.08 1xea h ARG 46 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xea h ARG 46 Cb 1.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1xea h ARG 46 CO 0.06 0.27 0.00 0.66 -1.51 0.00 0.00 179.97 179.45 1xea n TYR 47 N -4.48 0.90 -3.89 2.20 4.02 0.10 -4.99 117.16 111.02 1xea n TYR 47 Ca 0.05 -0.88 -0.33 0.00 -0.01 0.00 0.00 57.90 56.73 1xea n TYR 47 Cb 0.18 -0.30 0.01 0.00 -0.02 0.00 0.00 39.34 39.21 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 -0.54 -0.62 -4.73 -0.72 1.74 -0.60 -4.94 116.66 106.26 1xea n ARG 48 Ca 0.21 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 57.09 1xea n ARG 48 Cb 0.88 -1.78 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 1xea n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xea s VAL 49 N -3.52 3.41 -0.13 1.55 0.11 0.05 -5.03 120.40 116.84 1xea s VAL 49 Ca 0.28 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 58.66 1xea s VAL 49 Cb -0.16 -2.38 -0.06 0.00 -1.53 0.00 0.00 36.38 32.25 1xea s VAL 49 CO 0.77 0.58 0.02 -1.28 -3.33 0.00 0.00 175.10 171.86 1xea h SER 50 N 5.47 0.00 -0.49 3.54 0.87 -1.87 -3.45 113.55 117.63 1xea h SER 50 Ca -0.45 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 59.87 1xea h SER 50 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1xea h SER 50 CO 0.52 0.76 0.41 0.00 -0.53 0.00 0.00 176.83 177.99 1xea n ALA 51 N -3.19 0.45 -2.56 6.23 0.00 -1.26 -4.93 120.51 115.25 1xea n ALA 51 Ca -0.07 -1.28 -0.32 0.00 0.00 0.00 0.00 53.44 51.77 1xea n ALA 51 Cb 0.23 -3.20 -0.11 0.00 0.00 0.00 0.00 19.45 16.37 1xea n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xea s THR 52 N 13.36 3.46 0.09 0.00 -4.23 -1.26 -1.38 115.64 125.68 1xea s THR 52 Ca 0.97 -0.86 -0.15 0.00 -1.18 0.00 0.00 61.69 60.47 1xea s THR 52 Cb -0.21 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1xea s THR 52 CO 0.15 0.38 0.37 0.00 -0.54 0.00 0.00 174.62 174.98 1xea n THR 54 N 0.08 0.00 -3.97 0.00 -1.04 -1.26 -2.46 114.28 105.63 1xea n THR 54 Ca -0.17 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.50 1xea n THR 54 Cb 0.62 0.08 -0.14 0.00 -1.82 0.00 0.00 70.33 69.07 1xea n THR 54 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xea s ASP 55 N -2.03 4.10 0.48 8.00 -1.08 -1.26 -4.02 116.67 120.86 1xea s ASP 55 Ca 0.00 -0.67 0.18 0.00 -0.52 0.00 0.00 52.55 51.54 1xea s ASP 55 Cb 0.00 -1.66 0.99 0.00 -1.46 0.00 0.00 42.92 40.79 1xea s ASP 55 CO 0.00 -0.07 1.49 0.10 0.52 0.00 0.00 175.17 177.22 1xea h TYR 56 N 8.04 0.00 0.00 -5.34 -0.00 -1.96 0.17 116.97 117.88 1xea h TYR 56 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.24 1xea h TYR 56 Cb 1.13 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.85 1xea h TYR 56 CO 0.56 0.00 -0.52 0.00 -0.00 0.00 0.00 178.16 178.20 1xea h ARG 57 N 0.00 0.00 0.00 0.10 3.08 -2.03 -3.04 114.38 112.49 1xea h ARG 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xea h ARG 57 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1xea h ARG 57 CO 0.00 0.52 0.00 -0.25 -1.07 0.00 0.00 179.97 179.17 1xea n ASP 58 N -3.46 0.58 -0.25 7.04 8.00 0.59 -3.46 116.55 125.59 1xea n ASP 58 Ca 0.00 0.57 0.16 0.00 0.71 0.00 0.00 54.79 56.23 1xea n ASP 58 Cb 0.64 -0.72 0.45 0.00 -0.02 0.00 0.00 41.12 41.47 1xea n ASP 58 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xea h VAL 59 N 0.00 0.74 -0.08 2.53 2.07 -1.62 -0.74 116.25 119.15 1xea h VAL 59 Ca 0.00 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1xea h VAL 59 Cb 0.63 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1xea h VAL 59 CO 0.00 0.10 0.06 -0.07 0.02 0.00 0.00 177.57 177.68 1xea h LEU 60 N 0.53 0.00 -0.71 2.57 3.38 -1.78 -3.02 115.31 116.27 1xea h LEU 60 Ca 0.46 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.54 1xea h LEU 60 Cb 0.97 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1xea h LEU 60 CO -0.20 0.00 0.32 1.56 0.09 0.00 0.00 178.44 180.21 1xea h GLN 61 N 0.00 0.51 0.00 1.13 4.20 -1.38 -2.21 115.11 117.36 1xea h GLN 61 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xea h GLN 61 Cb 0.16 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1xea h GLN 61 CO -0.00 0.34 0.00 0.66 -0.67 0.00 0.00 178.83 179.16 1xea n TYR 62 N -4.92 0.00 -3.43 2.96 4.02 -1.14 -4.89 117.16 109.75 1xea n TYR 62 Ca 0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.84 1xea n TYR 62 Cb 0.32 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.72 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 0.49 -0.43 3.77 2.72 0.00 -0.83 -4.95 105.19 105.95 1xea n GLY 63 Ca 0.12 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.38 2.67 -0.72 1.61 1.01 -1.26 -4.91 120.40 115.41 1xea s VAL 64 Ca 0.04 0.55 0.24 0.00 0.00 0.00 0.00 61.98 62.82 1xea s VAL 64 Cb -0.01 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1xea s VAL 64 CO 0.74 0.05 1.34 0.47 0.00 0.00 0.00 175.10 177.69 1xea n ASP 65 N -0.21 0.63 -3.65 3.32 8.00 0.17 -4.97 116.55 119.85 1xea n ASP 65 Ca 0.06 0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.58 1xea n ASP 65 Cb 0.45 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 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 -3.13 -2.18 0.00 2.24 0.00 -1.20 -4.40 121.76 113.09 1xea s ALA 66 Ca 0.07 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1xea s ALA 66 Cb 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1xea s ALA 66 CO 0.72 -0.41 0.00 1.33 0.00 0.00 0.00 175.76 177.40 1xea n VAL 67 N 0.22 0.00 -3.52 0.00 0.24 -0.97 -1.04 118.33 113.26 1xea n VAL 67 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1xea n VAL 67 Cb 0.57 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 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 1.33 -0.83 -0.11 1.34 1.01 0.57 -0.99 121.20 123.53 1xea s ILE 69 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 60.65 60.81 1xea s ILE 69 Cb 0.00 -1.00 0.24 0.00 0.01 0.00 0.00 42.46 41.71 1xea s ILE 69 CO 0.00 0.00 1.13 1.41 0.00 0.00 0.00 174.94 177.48 1xea n HIS 70 N 5.30 0.01 -1.46 3.97 8.25 0.22 -2.17 115.22 129.34 1xea n HIS 70 Ca -0.10 -0.91 -0.24 0.00 -0.26 0.00 0.00 57.72 56.20 1xea n HIS 70 Cb 0.50 -0.13 0.18 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.27 -1.80 -0.70 -1.41 0.00 -1.23 -4.48 120.51 109.61 1xea n ALA 71 Ca 0.13 -1.38 -0.30 0.00 0.00 0.00 0.00 53.44 51.89 1xea n ALA 71 Cb 0.58 -0.08 0.18 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.63 1.08 0.37 0.00 0.00 -1.26 -4.91 121.76 113.41 1xea s ALA 72 Ca 0.60 0.41 0.14 0.00 0.00 0.00 0.00 51.96 53.10 1xea s ALA 72 Cb -0.03 -3.39 0.77 0.00 0.00 0.00 0.00 23.12 20.47 1xea s ALA 72 CO 0.43 -2.95 1.85 1.15 0.00 0.00 0.00 175.76 176.24 1xea h THR 73 N -2.00 1.22 0.00 0.00 2.02 -1.95 -2.80 112.91 109.39 1xea h THR 73 Ca -0.47 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1xea h THR 73 Cb 1.28 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1xea h THR 73 CO 0.44 0.34 0.00 -0.90 0.37 0.00 0.00 175.52 175.77 1xea n ASP 74 N -4.09 0.00 0.00 4.18 5.68 -1.26 -2.69 116.55 118.38 1xea n ASP 74 Ca -0.02 -0.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 1xea n ASP 74 Cb 0.39 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1xea n ASP 74 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1xea n VAL 75 N -1.04 0.40 0.46 2.12 0.24 -1.06 -4.86 118.33 114.59 1xea n VAL 75 Ca 0.10 -0.43 -0.18 0.00 -2.04 0.00 0.00 64.34 61.79 1xea n VAL 75 Cb 0.06 0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 33.20 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 0.00 -1.09 -0.68 6.34 3.86 -1.55 -2.22 115.15 119.80 1xea h HIS 76 Ca 0.00 -0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.32 1xea h HIS 76 Cb 0.71 0.36 -0.13 0.00 1.06 0.00 0.00 27.41 29.42 1xea h HIS 76 CO 0.00 -0.68 -0.16 0.77 0.86 0.00 0.00 177.93 178.72 1xea h SER 77 N -1.29 -0.62 -0.18 2.45 0.02 -1.81 0.68 113.55 112.81 1xea h SER 77 Ca -0.12 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1xea h SER 77 Cb 0.90 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 1xea h SER 77 CO 0.20 -0.22 0.05 0.74 -1.14 0.00 0.00 176.83 176.46 1xea h THR 78 N 0.00 0.94 -0.23 -2.27 2.02 -1.89 -0.10 112.91 111.38 1xea h THR 78 Ca 0.33 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.35 1xea h THR 78 Cb 0.50 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1xea h THR 78 CO -0.69 0.02 -0.29 -0.07 0.37 0.00 0.00 175.52 174.86 1xea h LEU 79 N 0.13 0.65 0.50 2.58 3.38 -0.64 -2.95 115.31 118.96 1xea h LEU 79 Ca 0.08 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1xea h LEU 79 Cb 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1xea h LEU 79 CO -0.09 1.02 -0.24 0.00 0.09 0.00 0.00 178.44 179.22 1xea h ALA 80 N 0.65 -0.68 -0.62 1.53 0.00 0.44 -2.94 119.26 117.64 1xea h ALA 80 Ca 0.03 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xea h ALA 80 Cb 0.86 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1xea h ALA 80 CO 0.07 -0.84 -0.14 0.00 0.00 0.00 0.00 179.25 178.34 1xea h ALA 81 N -0.30 0.44 -0.21 0.00 0.00 -1.12 -0.37 119.26 117.70 1xea h ALA 81 Ca -0.07 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xea h ALA 81 Cb 0.56 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1xea h ALA 81 CO 0.11 -0.42 -0.25 0.35 0.00 0.00 0.00 179.25 179.03 1xea h PHE 82 N 0.01 -0.78 0.00 0.00 3.57 -1.35 0.84 116.94 119.23 1xea h PHE 82 Ca 0.30 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1xea h PHE 82 Cb 0.47 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1xea h PHE 82 CO -0.49 -0.22 -0.04 0.74 -2.23 0.00 0.00 178.31 176.07 1xea h PHE 83 N -0.16 0.00 -0.22 0.41 -1.00 -1.33 -2.48 116.94 112.16 1xea h PHE 83 Ca 0.04 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 1xea h PHE 83 Cb 0.26 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 1xea h PHE 83 CO -0.69 0.04 -0.22 -0.07 -1.61 0.00 0.00 178.31 175.76 1xea h LEU 84 N 0.00 0.57 -0.84 1.54 3.38 0.18 0.16 115.31 120.31 1xea h LEU 84 Ca -0.00 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1xea h LEU 84 Cb 0.45 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1xea h LEU 84 CO 0.00 0.93 0.49 0.45 0.09 0.00 0.00 178.44 180.40 1xea h HIS 85 N 0.22 1.12 0.00 1.13 3.86 -0.55 0.16 115.15 121.10 1xea h HIS 85 Ca 0.04 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xea h HIS 85 Cb 0.77 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1xea h HIS 85 CO 0.08 0.76 0.00 1.28 0.86 0.00 0.00 177.93 180.91 1xea n LEU 86 N -4.42 0.00 -3.29 2.43 4.77 -0.96 -4.91 117.00 110.62 1xea n LEU 86 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1xea n LEU 86 Cb 0.07 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1xea n LEU 86 CO 0.38 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 177.17 1xea n GLY 87 N 0.48 -1.18 2.81 -0.72 0.00 0.57 -5.03 105.19 102.12 1xea n GLY 87 Ca 0.09 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.22 0.49 -0.30 -0.61 1.01 0.50 -5.01 121.20 114.07 1xea s ILE 88 Ca 0.24 0.02 -0.39 0.00 0.00 0.00 0.00 60.65 60.52 1xea s ILE 88 Cb -0.05 -0.61 -0.15 0.00 0.01 0.00 0.00 42.46 41.67 1xea s ILE 88 CO 0.78 0.27 1.88 -2.65 0.00 0.00 0.00 174.94 175.22 1xea n PRO 89 N 4.89 1.13 -4.45 2.79 -0.02 -1.26 -4.43 135.00 133.65 1xea n PRO 89 Ca -0.11 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 1xea n PRO 89 Cb 0.50 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.61 4.05 -0.06 3.45 2.01 -0.76 -2.29 115.64 126.64 1xea s THR 90 Ca 1.02 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.72 1xea s THR 90 Cb -1.03 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1xea s THR 90 CO 0.61 0.58 -0.19 0.12 -0.69 0.00 0.00 174.62 175.05 1xea s PHE 91 N -0.58 2.60 -0.04 4.92 5.36 -0.16 -1.20 117.98 128.89 1xea s PHE 91 Ca 0.09 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.61 1xea s PHE 91 Cb -0.12 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1xea s PHE 91 CO 0.02 -0.04 -0.03 0.08 -1.46 0.00 0.00 175.22 173.78 1xea s VAL 92 N -0.33 0.43 0.07 3.12 1.01 -0.04 -0.31 120.40 124.34 1xea s VAL 92 Ca 0.02 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1xea s VAL 92 Cb -0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 1xea s VAL 92 CO 0.02 0.19 1.20 -0.62 0.00 0.00 0.00 175.10 175.90 1xea s ASP 93 N 0.85 7.08 0.35 3.32 2.15 -0.92 -0.64 116.67 128.86 1xea s ASP 93 Ca -0.10 2.03 -0.26 0.00 0.43 0.00 0.00 52.55 54.65 1xea s ASP 93 Cb -0.13 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.78 1xea s ASP 93 CO -0.00 -0.47 0.90 2.29 -0.17 0.00 0.00 175.17 177.72 1xea n LYS 94 N 3.86 1.13 -2.63 4.34 -0.00 -1.21 -4.39 118.16 119.27 1xea n LYS 94 Ca 0.09 0.40 -0.32 0.00 -0.00 0.00 0.00 58.31 58.48 1xea n LYS 94 Cb 0.46 -1.80 -0.04 0.00 -0.00 0.00 0.00 35.03 33.65 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 -1.69 3.94 0.14 -1.58 0.04 -1.26 -5.00 135.00 129.59 1xea s PRO 95 Ca 0.61 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 1xea s PRO 95 Cb -0.64 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1xea s PRO 95 CO 0.58 -0.15 1.73 1.25 0.04 0.00 0.00 177.00 180.46 1xea h LEU 96 N 1.24 -0.00 -8.13 -3.56 5.85 -1.89 -3.46 115.31 105.35 1xea h LEU 96 Ca -0.47 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1xea h LEU 96 Cb 1.18 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1xea h LEU 96 CO 0.62 0.03 0.01 0.00 -0.34 0.00 0.00 178.44 178.77 1xea s ALA 97 N -6.18 -0.62 -1.30 1.25 0.00 -1.26 -4.48 121.76 109.17 1xea s ALA 97 Ca -0.13 -0.65 0.21 0.00 0.00 0.00 0.00 51.96 51.39 1xea s ALA 97 Cb 0.11 0.98 1.03 0.00 0.00 0.00 0.00 23.12 25.24 1xea s ALA 97 CO 0.70 -0.92 1.69 0.00 0.00 0.00 0.00 175.76 177.22 1xea n ALA 98 N -0.41 2.07 -3.06 0.00 0.00 -1.26 -4.83 120.51 113.01 1xea n ALA 98 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1xea n ALA 98 Cb 0.61 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1xea n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xea s SER 99 N -2.70 -0.23 0.43 0.00 1.04 -1.26 -5.03 113.70 105.95 1xea s SER 99 Ca 0.17 -0.15 0.16 0.00 0.48 0.00 0.00 55.95 56.62 1xea s SER 99 Cb 0.14 0.42 0.98 0.00 0.10 0.00 0.00 66.02 67.66 1xea s SER 99 CO 0.34 -0.71 1.95 0.00 0.98 0.00 0.00 173.24 175.80 1xea h ALA 100 N 2.85 1.51 0.25 5.32 0.00 -1.88 -2.70 119.26 124.61 1xea h ALA 100 Ca -0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xea h ALA 100 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xea h ALA 100 CO 0.45 0.30 -0.19 0.37 0.00 0.00 0.00 179.25 180.18 1xea h GLN 101 N 0.00 -0.43 -0.50 0.00 5.75 -1.96 -0.02 115.11 117.94 1xea h GLN 101 Ca -0.00 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1xea h GLN 101 Cb 0.45 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1xea h GLN 101 CO 0.03 -0.29 0.30 0.93 -2.65 0.00 0.00 178.83 177.16 1xea h GLU 102 N -0.45 0.69 -0.24 1.69 5.08 -1.95 -1.18 114.58 118.22 1xea h GLU 102 Ca -0.01 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1xea h GLU 102 Cb 0.40 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1xea h GLU 102 CO -0.01 0.50 -0.10 0.00 -1.00 0.00 0.00 179.01 178.40 1xea h GLU 104 N -0.06 1.11 0.81 0.00 5.08 -0.69 -1.31 114.58 119.53 1xea h GLU 104 Ca 0.12 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1xea h GLU 104 Cb 0.24 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xea h GLU 104 CO -0.28 0.73 -0.47 -0.91 -1.00 0.00 0.00 179.01 177.08 1xea h ASN 105 N 1.14 -1.18 -0.76 1.42 2.35 -0.40 -1.14 115.58 117.02 1xea h ASN 105 Ca 0.34 0.06 0.15 0.00 -0.55 0.00 0.00 56.30 56.30 1xea h ASN 105 Cb -0.07 0.34 -0.14 0.00 0.05 0.00 0.00 38.32 38.50 1xea h ASN 105 CO -0.09 -0.74 -0.17 -0.07 -1.65 0.00 0.00 177.43 174.70 1xea h LEU 106 N -1.19 -0.67 -0.64 1.61 3.38 -0.64 0.27 115.31 117.43 1xea h LEU 106 Ca -0.11 0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1xea h LEU 106 Cb 0.95 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1xea h LEU 106 CO 0.13 -0.25 -0.04 1.88 0.09 0.00 0.00 178.44 180.25 1xea h TYR 107 N 0.01 1.12 -0.86 1.13 -1.99 -1.14 0.03 116.97 115.28 1xea h TYR 107 Ca 0.37 -0.20 0.03 0.00 2.00 0.00 0.00 58.73 60.93 1xea h TYR 107 Cb 0.58 -0.29 -0.05 0.00 2.00 0.00 0.00 36.73 38.97 1xea h TYR 107 CO -0.59 1.01 0.57 0.93 -0.00 0.00 0.00 178.16 180.08 1xea h GLU 108 N 0.93 1.06 -0.62 4.88 5.08 0.42 -0.02 114.58 126.31 1xea h GLU 108 Ca 0.16 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1xea h GLU 108 Cb 0.59 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1xea h GLU 108 CO 0.04 0.70 0.03 1.25 -1.00 0.00 0.00 179.01 180.02 1xea h LEU 109 N 1.09 1.03 -0.20 1.33 5.85 0.05 -2.37 115.31 122.09 1xea h LEU 109 Ca 0.34 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xea h LEU 109 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1xea h LEU 109 CO -0.10 1.07 0.05 0.00 -0.34 0.00 0.00 178.44 179.12 1xea h ALA 110 N 1.04 0.27 -0.99 1.25 0.00 0.21 -2.62 119.26 118.41 1xea h ALA 110 Ca 0.18 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1xea h ALA 110 Cb 0.52 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1xea h ALA 110 CO 0.03 -0.08 0.64 0.93 0.00 0.00 0.00 179.25 180.76 1xea h GLU 111 N 0.15 1.05 -0.10 0.00 5.08 -0.95 0.23 114.58 120.03 1xea h GLU 111 Ca 0.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xea h GLU 111 Cb 0.27 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xea h GLU 111 CO 0.00 0.70 0.05 -0.22 -1.00 0.00 0.00 179.01 178.54 1xea h LYS 112 N 1.08 0.15 -0.56 2.33 3.64 -1.28 -2.75 116.57 119.18 1xea h LYS 112 Ca 0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1xea h LYS 112 Cb 0.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xea h LYS 112 CO -0.21 0.22 0.00 0.72 -2.27 0.00 0.00 179.45 177.92 1xea n HIS 113 N -4.94 0.80 -4.23 1.91 8.25 -0.91 -4.92 115.22 111.19 1xea n HIS 113 Ca -0.05 -0.32 -0.34 0.00 -0.26 0.00 0.00 57.72 56.74 1xea n HIS 113 Cb 0.09 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 0.54 -1.55 -4.49 4.41 8.25 -0.01 -4.88 115.22 117.49 1xea n HIS 114 Ca 0.14 0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 58.04 1xea n HIS 114 Cb 0.52 -2.95 -0.12 0.00 1.12 0.00 0.00 29.99 28.57 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 -6.96 1.96 0.19 -0.41 -1.52 -0.70 -4.96 119.66 107.26 1xea s GLN 115 Ca 0.46 -1.06 -0.30 0.00 -1.95 0.00 0.00 55.36 52.51 1xea s GLN 115 Cb -0.26 -2.17 -0.08 0.00 -0.22 0.00 0.00 33.01 30.29 1xea s GLN 115 CO 0.95 0.51 0.94 -1.25 -0.25 0.00 0.00 175.29 176.19 1xea s PRO 116 N -1.77 4.79 -0.34 2.91 0.04 -1.26 -4.53 135.00 134.84 1xea s PRO 116 Ca 0.16 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.69 1xea s PRO 116 Cb -0.11 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.22 1xea s PRO 116 CO 0.08 0.40 0.06 -1.17 0.04 0.00 0.00 177.00 176.41 1xea s LEU 117 N -0.72 4.26 -0.17 -3.56 2.96 -1.26 -1.83 118.68 118.36 1xea s LEU 117 Ca 0.43 -2.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.11 1xea s LEU 117 Cb -0.25 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1xea s LEU 117 CO 0.31 -0.39 0.42 -0.47 -1.32 0.00 0.00 176.35 174.90 1xea s TYR 118 N 1.03 3.42 -0.23 5.38 5.04 -0.34 -5.00 117.35 126.66 1xea s TYR 118 Ca 0.11 0.70 -0.11 0.00 -2.44 0.00 0.00 57.07 55.34 1xea s TYR 118 Cb -0.19 -2.52 -0.05 0.00 0.35 0.00 0.00 41.96 39.55 1xea s TYR 118 CO -0.11 0.07 0.16 0.08 -1.34 0.00 0.00 175.55 174.40 1xea s VAL 119 N 1.03 5.37 -0.87 3.14 1.01 -1.26 -0.87 120.40 127.96 1xea s VAL 119 Ca 0.21 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 1xea s VAL 119 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1xea s VAL 119 CO 0.08 0.37 1.96 -0.83 0.00 0.00 0.00 175.10 176.68 1xea s GLY 120 N 0.88 0.14 -0.46 4.51 0.00 0.19 -4.87 107.32 107.70 1xea s GLY 120 Ca 0.08 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.44 1xea s GLY 120 CO 0.03 3.52 0.21 -1.36 0.00 0.00 0.00 173.10 175.49 1xea s PHE 121 N 10.20 3.44 0.25 1.90 0.40 -1.26 -3.32 117.98 129.59 1xea s PHE 121 Ca 0.71 -3.00 0.20 0.00 -0.60 0.00 0.00 56.93 54.24 1xea s PHE 121 Cb -0.08 -2.94 0.85 0.00 0.51 0.00 0.00 43.02 41.36 1xea s PHE 121 CO 0.02 -0.84 1.82 -2.95 0.70 0.00 0.00 175.22 173.96 1xea h ASN 122 N 7.08 0.00 0.00 1.36 -1.07 -1.89 -3.13 115.58 117.92 1xea h ASN 122 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.31 1xea h ASN 122 Cb 0.96 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.21 1xea h ASN 122 CO 0.64 0.32 0.00 0.54 0.07 0.00 0.00 177.43 178.99 1xea n ARG 123 N -3.64 0.79 0.00 4.14 1.74 -1.26 -1.24 116.66 117.19 1xea n ARG 123 Ca -0.01 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1xea n ARG 123 Cb 0.43 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 30.60 1xea n ARG 123 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xea n ARG 124 N 0.30 -0.35 -0.13 5.56 1.74 -1.18 -4.63 116.66 117.97 1xea n ARG 124 Ca 0.00 -0.57 0.02 0.00 -0.77 0.00 0.00 57.85 56.53 1xea n ARG 124 Cb 0.28 -1.01 0.03 0.00 -1.02 0.00 0.00 32.46 30.74 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 0.04 0.00 -1.85 -1.55 8.25 -0.37 -4.72 115.22 115.02 1xea n HIS 125 Ca 0.01 -0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 56.68 1xea n HIS 125 Cb 0.04 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.95 3.28 0.21 1.59 1.01 -1.21 -4.26 121.20 120.87 1xea s ILE 126 Ca 0.08 0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.85 1xea s ILE 126 Cb 0.07 -3.43 0.23 0.00 0.01 0.00 0.00 42.46 39.34 1xea s ILE 126 CO 0.01 -0.30 1.62 1.55 0.00 0.00 0.00 174.94 177.81 1xea h PRO 127 N 14.34 -0.03 -0.36 2.79 0.13 -1.81 -1.04 132.00 146.03 1xea h PRO 127 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xea h PRO 127 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1xea h PRO 127 CO 1.04 -0.02 0.24 1.25 -0.23 0.00 0.00 178.00 180.27 1xea h LEU 128 N -0.03 0.42 -0.54 1.56 5.85 -1.85 -1.59 115.31 119.13 1xea h LEU 128 Ca 0.30 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1xea h LEU 128 Cb 0.50 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1xea h LEU 128 CO -0.67 0.32 0.06 1.88 -0.34 0.00 0.00 178.44 179.69 1xea h TYR 129 N 0.49 0.97 0.00 1.25 0.05 -1.69 -2.73 116.97 115.30 1xea h TYR 129 Ca 0.13 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1xea h TYR 129 Cb -0.04 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.44 1xea h TYR 129 CO -0.05 0.87 0.00 -0.91 -1.05 0.00 0.00 178.16 177.02 1xea h ASN 130 N 0.78 0.00 0.28 3.88 4.21 -1.14 0.33 115.58 123.92 1xea h ASN 130 Ca 0.16 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.49 1xea h ASN 130 Cb 0.44 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1xea h ASN 130 CO 0.01 0.00 -0.72 -0.61 -1.29 0.00 0.00 177.43 174.82 1xea h GLN 131 N 0.00 0.38 0.00 0.81 4.15 -0.97 -3.33 115.11 116.14 1xea h GLN 131 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1xea h GLN 131 Cb 0.61 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1xea h GLN 131 CO 0.00 0.95 -1.64 0.72 -1.93 0.00 0.00 178.83 176.92 1xea n HIS 132 N -3.83 0.00 -3.70 3.99 8.25 -1.10 -4.71 115.22 114.12 1xea n HIS 132 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 1xea n HIS 132 Cb 0.70 -0.34 -0.11 0.00 1.12 0.00 0.00 29.99 31.36 1xea n HIS 132 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xea n LEU 133 N -2.00 1.83 -0.11 2.41 4.77 0.11 -4.93 117.00 119.09 1xea n LEU 133 Ca -0.02 -4.93 0.25 0.00 -0.03 0.00 0.00 56.01 51.28 1xea n LEU 133 Cb 0.45 -0.29 0.71 0.00 -2.33 0.00 0.00 43.42 41.96 1xea n LEU 133 CO 0.40 1.81 1.23 0.77 -1.33 0.00 0.00 177.39 180.27 1xea h SER 134 N 5.39 0.00 -0.85 -1.43 4.64 -1.81 0.26 113.55 119.75 1xea h SER 134 Ca 0.19 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.70 1xea h SER 134 Cb 0.80 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.83 1xea h SER 134 CO 0.60 0.00 0.57 -0.33 -0.87 0.00 0.00 176.83 176.80 1xea h GLU 135 N 0.00 0.38 -0.07 4.77 3.07 -1.91 0.77 114.58 121.59 1xea h GLU 135 Ca 0.36 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.95 1xea h GLU 135 Cb 1.43 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.26 1xea h GLU 135 CO -0.00 0.25 -0.90 -0.07 -1.40 0.00 0.00 179.01 176.89 1xea h LEU 136 N 0.40 0.86 -0.78 1.33 3.38 -0.73 0.36 115.31 120.13 1xea h LEU 136 Ca 0.43 -0.62 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1xea h LEU 136 Cb 1.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1xea h LEU 136 CO -0.15 1.42 -0.32 0.00 0.09 0.00 0.00 178.44 179.48 1xea h ALA 137 N 0.54 0.95 0.00 1.53 0.00 -0.84 -2.53 119.26 118.91 1xea h ALA 137 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xea h ALA 137 Cb 1.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1xea h ALA 137 CO 0.18 0.61 -0.32 1.04 0.00 0.00 0.00 179.25 180.76 1xea n GLN 138 N -4.07 0.24 -3.58 0.00 1.13 0.24 -4.94 117.38 106.40 1xea n GLN 138 Ca -0.01 0.13 -0.23 0.00 -1.94 0.00 0.00 57.00 54.95 1xea n GLN 138 Cb 0.46 -1.71 0.08 0.00 0.11 0.00 0.00 30.24 29.18 1xea n GLN 138 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1xea n GLN 139 N -2.09 -7.56 -3.09 -1.09 6.02 0.11 -5.00 117.38 104.68 1xea n GLN 139 Ca 0.05 0.82 -0.12 0.00 -0.01 0.00 0.00 57.00 57.74 1xea n GLN 139 Cb 0.42 -5.85 -0.03 0.00 1.02 0.00 0.00 30.24 25.80 1xea n GLN 139 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1xea n GLU 140 N -4.81 0.86 -0.08 -1.09 1.02 -0.27 -4.89 120.64 111.37 1xea n GLU 140 Ca -0.05 -1.56 -0.07 0.00 -0.02 0.00 0.00 57.16 55.45 1xea n GLU 140 Cb 0.58 0.79 -0.16 0.00 -0.02 0.00 0.00 31.44 32.64 1xea n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xea n GLY 142 N 1.67 2.76 0.96 0.00 0.00 -1.26 -1.13 105.19 108.18 1xea n GLY 142 Ca -0.27 0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 10.76 2.43 -1.68 4.61 0.00 -1.26 -4.98 120.51 130.39 1xea n ALA 143 Ca 0.00 -0.83 -0.46 0.00 0.00 0.00 0.00 53.44 52.15 1xea n ALA 143 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 1.28 3.34 0.00 0.00 4.77 -0.28 -4.53 117.00 121.58 1xea n LEU 144 Ca 0.15 1.04 0.11 0.00 -0.03 0.00 0.00 56.01 57.28 1xea n LEU 144 Cb 0.55 -1.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.08 1xea n LEU 144 CO 0.14 -0.15 -0.45 0.54 -1.33 0.00 0.00 177.39 176.13 1xea n ARG 145 N 4.53 0.46 -3.58 3.23 5.12 0.12 -4.16 116.66 122.37 1xea n ARG 145 Ca 0.18 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.89 1xea n ARG 145 Cb 0.30 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 30.01 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 -4.15 -0.37 -0.20 0.55 1.04 -1.14 -2.40 113.70 107.02 1xea s SER 146 Ca -0.02 0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 1xea s SER 146 Cb 0.14 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1xea s SER 146 CO 0.88 -0.35 0.39 -0.22 0.98 0.00 0.00 173.24 174.93 1xea s LEU 147 N -1.15 -0.62 -0.16 2.42 2.96 -0.43 -1.55 118.68 120.16 1xea s LEU 147 Ca -0.02 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1xea s LEU 147 Cb -0.00 1.23 0.01 0.00 0.50 0.00 0.00 46.19 47.93 1xea s LEU 147 CO 0.01 -0.25 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.98 1xea s ARG 148 N 2.58 2.98 -0.20 1.98 3.52 0.12 -1.22 118.95 128.71 1xea s ARG 148 Ca 0.03 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1xea s ARG 148 Cb -0.13 -2.47 -0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1xea s ARG 148 CO -0.13 -0.10 -0.10 -0.46 -0.81 0.00 0.00 175.30 173.70 1xea s TRP 149 N 1.03 2.88 -0.07 5.12 -0.11 0.96 -0.74 118.94 128.01 1xea s TRP 149 Ca -0.02 -1.13 0.05 0.00 1.22 0.00 0.00 56.10 56.22 1xea s TRP 149 Cb -0.14 -2.02 -0.01 0.00 -1.50 0.00 0.00 33.47 29.80 1xea s TRP 149 CO -0.07 -0.60 -0.23 -1.21 -4.62 0.00 0.00 176.95 170.23 1xea s GLU 150 N 1.30 2.75 -0.30 5.86 2.02 0.12 -0.89 118.70 129.56 1xea s GLU 150 Ca 0.04 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.14 1xea s GLU 150 Cb -0.14 -2.26 0.10 0.00 0.10 0.00 0.00 34.13 31.93 1xea s GLU 150 CO -0.05 0.33 0.11 0.21 0.02 0.00 0.00 175.26 175.88 1xea s LYS 151 N -0.02 0.48 0.25 1.61 2.20 -0.33 -1.09 119.74 122.83 1xea s LYS 151 Ca -0.07 -0.83 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 1xea s LYS 151 Cb -0.15 -1.62 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 1xea s LYS 151 CO 0.05 -1.00 0.20 -1.01 -0.36 0.00 0.00 175.35 173.22 1xea s HIS 152 N 1.83 3.11 0.05 4.03 3.76 0.27 -3.67 115.29 124.68 1xea s HIS 152 Ca 0.09 -0.11 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1xea s HIS 152 Cb -0.17 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 1xea s HIS 152 CO -0.31 0.52 -0.05 1.03 -0.85 0.00 0.00 174.74 175.08 1xea s ARG 153 N -3.83 0.55 -0.03 1.40 0.52 -0.57 -2.14 118.95 114.84 1xea s ARG 153 Ca 0.33 -0.93 -0.17 0.00 -0.52 0.00 0.00 55.73 54.44 1xea s ARG 153 Cb -0.08 -0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.26 1xea s ARG 153 CO 0.25 -0.02 0.46 -1.58 0.02 0.00 0.00 175.30 174.43 1xea s HIS 154 N -2.34 3.66 -0.65 -0.53 5.65 -1.26 -1.16 115.29 118.66 1xea s HIS 154 Ca -0.04 0.99 -0.18 0.00 0.25 0.00 0.00 55.06 56.08 1xea s HIS 154 Cb -0.03 -2.42 0.03 0.00 -1.18 0.00 0.00 32.58 28.97 1xea s HIS 154 CO -0.03 0.46 0.35 0.00 -0.65 0.00 0.00 174.74 174.86 1xea n ALA 155 N 2.50 -1.84 -3.14 1.58 0.00 -1.25 -4.89 120.51 113.47 1xea n ALA 155 Ca -0.11 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 1xea n ALA 155 Cb 0.52 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.13 0.39 -4.79 0.00 7.94 0.57 -5.02 117.00 112.96 1xea n LEU 156 Ca -0.06 -4.82 -0.32 0.00 -1.11 0.00 0.00 56.01 49.70 1xea n LEU 156 Cb 0.30 0.74 0.05 0.00 0.53 0.00 0.00 43.42 45.04 1xea n LEU 156 CO 0.40 2.24 0.72 -2.16 -1.11 0.00 0.00 177.39 177.48 1xea s PRO 157 N -1.99 2.78 0.35 1.96 0.04 -1.23 -4.82 135.00 132.09 1xea s PRO 157 Ca 0.38 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 1xea s PRO 157 Cb 0.32 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.93 1xea s PRO 157 CO -0.08 -1.24 0.63 0.20 0.04 0.00 0.00 177.00 176.54 1xea s GLY 158 N -3.12 0.84 0.36 0.56 0.00 -1.00 -4.92 107.32 100.05 1xea s GLY 158 Ca 0.63 -1.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.02 1xea s GLY 158 CO 0.48 -0.62 1.05 0.51 0.00 0.00 0.00 173.10 174.52 1xea s ASP 159 N -3.13 6.93 0.05 1.64 -4.77 -1.26 0.23 116.67 116.37 1xea s ASP 159 Ca 0.22 2.08 -0.11 0.00 -3.30 0.00 0.00 52.55 51.45 1xea s ASP 159 Cb -0.03 -2.60 -0.02 0.00 -1.09 0.00 0.00 42.92 39.18 1xea s ASP 159 CO 0.15 -0.37 0.98 -0.38 0.70 0.00 0.00 175.17 176.25 1xea n ILE 160 N 0.31 -0.23 -0.17 2.11 5.41 -1.26 -0.63 119.36 124.90 1xea n ILE 160 Ca 0.03 1.51 -0.11 0.00 1.00 0.00 0.00 62.75 65.18 1xea n ILE 160 Cb 0.48 -1.93 -0.07 0.00 -0.71 0.00 0.00 39.64 37.41 1xea n ILE 160 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1xea h ARG 161 N 0.00 -0.31 0.02 0.38 2.47 -1.95 0.26 114.38 115.25 1xea h ARG 161 Ca 0.05 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1xea h ARG 161 Cb 0.14 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1xea h ARG 161 CO -0.32 -0.21 -0.05 1.15 0.56 0.00 0.00 179.97 181.11 1xea h THR 162 N -0.32 0.89 -0.23 2.04 2.02 -1.81 0.24 112.91 115.74 1xea h THR 162 Ca 0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1xea h THR 162 Cb 0.58 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1xea h THR 162 CO -0.63 0.00 -0.12 0.15 0.37 0.00 0.00 175.52 175.29 1xea h PHE 163 N -0.09 -0.28 0.21 3.16 -0.00 -0.32 0.14 116.94 119.76 1xea h PHE 163 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.00 1xea h PHE 163 Cb 0.10 0.16 0.00 0.00 -0.00 0.00 0.00 35.95 36.21 1xea h PHE 163 CO -0.11 -0.18 -0.10 0.28 -0.00 0.00 0.00 178.31 178.20 1xea h VAL 164 N -0.09 0.57 0.00 1.41 2.07 -0.32 -1.32 116.25 118.57 1xea h VAL 164 Ca 0.13 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1xea h VAL 164 Cb 0.28 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xea h VAL 164 CO -0.29 0.15 -0.10 -0.26 0.02 0.00 0.00 177.57 177.09 1xea h PHE 165 N -0.96 0.00 -0.01 1.57 -1.00 -0.54 -2.16 116.94 113.85 1xea h PHE 165 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1xea h PHE 165 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1xea h PHE 165 CO 0.06 0.10 -0.34 -0.25 -1.61 0.00 0.00 178.31 176.27 1xea n ASP 166 N -3.23 1.17 0.04 2.17 8.00 0.49 -4.33 116.55 120.88 1xea n ASP 166 Ca 0.01 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1xea n ASP 166 Cb 0.38 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.48 0.06 0.21 -2.24 -0.08 -1.05 -4.85 116.55 108.11 1xea n ASP 167 Ca 0.04 0.15 0.18 0.00 -1.51 0.00 0.00 54.79 53.65 1xea n ASP 167 Cb 0.24 0.08 0.78 0.00 2.34 0.00 0.00 41.12 44.57 1xea n ASP 167 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1xea h PHE 168 N 0.00 0.00 -0.03 -0.67 3.57 -1.23 0.45 116.94 119.04 1xea h PHE 168 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1xea h PHE 168 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1xea h PHE 168 CO 0.00 0.00 0.06 0.97 -2.23 0.00 0.00 178.31 177.11 1xea h ILE 169 N 0.00 0.21 0.17 1.41 6.09 -1.64 -0.91 117.51 122.83 1xea h ILE 169 Ca 0.10 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.58 1xea h ILE 169 Cb 0.85 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.09 1xea h ILE 169 CO -0.00 0.00 -0.08 0.45 -3.07 0.00 0.00 178.15 175.45 1xea h HIS 170 N 0.00 -0.21 -0.07 2.19 3.86 -1.22 -2.06 115.15 117.64 1xea h HIS 170 Ca 0.01 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1xea h HIS 170 Cb 0.14 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1xea h HIS 170 CO 0.00 -0.13 -0.10 -1.00 0.86 0.00 0.00 177.93 177.56 1xea h PRO 171 N -0.35 0.10 0.62 2.45 0.13 -1.72 -0.91 132.00 132.33 1xea h PRO 171 Ca -0.02 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1xea h PRO 171 Cb 0.17 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xea h PRO 171 CO 0.04 0.21 -0.30 1.25 -0.23 0.00 0.00 178.00 178.97 1xea h LEU 172 N 0.10 -0.71 -0.58 1.56 5.85 -1.25 -2.09 115.31 118.19 1xea h LEU 172 Ca 0.02 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1xea h LEU 172 Cb 0.24 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1xea h LEU 172 CO 0.01 -0.39 0.23 -0.78 -0.34 0.00 0.00 178.44 177.17 1xea h ASP 173 N -1.02 0.81 -0.84 1.25 3.58 -1.29 -1.20 116.42 117.71 1xea h ASP 173 Ca -0.09 -0.18 0.19 0.00 0.42 0.00 0.00 57.03 57.38 1xea h ASP 173 Cb 0.69 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 1xea h ASP 173 CO 0.14 0.77 0.56 0.28 -2.88 0.00 0.00 179.24 178.11 1xea h SER 174 N 0.81 0.36 0.68 2.28 0.02 -1.15 -0.60 113.55 115.95 1xea h SER 174 Ca 0.19 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1xea h SER 174 Cb 0.21 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1xea h SER 174 CO -0.01 0.16 -1.31 0.52 -1.14 0.00 0.00 176.83 175.05 1xea n VAL 175 N -4.48 0.42 -0.92 2.27 0.31 -0.79 -4.72 118.33 110.43 1xea n VAL 175 Ca 0.17 -0.53 -0.30 0.00 -0.01 0.00 0.00 64.34 63.68 1xea n VAL 175 Cb 0.65 -0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 1xea n VAL 175 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xea n ASN 176 N -2.53 4.39 -0.07 4.52 5.15 -0.23 -4.59 115.26 121.90 1xea n ASN 176 Ca -0.01 -2.45 0.14 0.00 -0.60 0.00 0.00 54.58 51.66 1xea n ASN 176 Cb 0.55 -1.15 0.62 0.00 -0.53 0.00 0.00 39.78 39.28 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 5.16 0.32 -0.88 1.20 4.77 -1.26 -3.18 117.00 123.14 1xea n LEU 177 Ca 0.48 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.68 1xea n LEU 177 Cb 0.22 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1xea n LEU 177 CO 0.81 0.06 0.60 -1.54 -1.33 0.00 0.00 177.39 175.99 1xea n SER 178 N -1.12 2.86 -3.54 -1.43 3.41 -1.26 -4.33 113.62 108.21 1xea n SER 178 Ca 0.13 -1.88 -0.20 0.00 -0.26 0.00 0.00 58.87 56.66 1xea n SER 178 Cb 0.28 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.20 -6.35 -2.38 4.33 1.74 -1.19 -4.94 116.66 109.06 1xea n ARG 179 Ca 0.13 0.78 -0.40 0.00 -0.77 0.00 0.00 57.85 57.60 1xea n ARG 179 Cb 0.53 -5.69 -0.03 0.00 -1.02 0.00 0.00 32.46 26.24 1xea n ARG 179 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1xea s GLN 180 N -5.69 4.46 -0.01 5.56 2.00 -1.26 -4.86 119.66 119.86 1xea s GLN 180 Ca 0.11 1.88 0.23 0.00 -2.00 0.00 0.00 55.36 55.58 1xea s GLN 180 Cb -0.05 -3.05 0.39 0.00 0.80 0.00 0.00 33.01 31.11 1xea s GLN 180 CO 0.75 0.03 1.16 0.00 -0.50 0.00 0.00 175.29 176.73 1xea n ASN 182 N 0.40 0.00 -1.07 0.00 2.04 -1.26 -4.33 115.26 111.04 1xea n ASN 182 Ca 0.06 -0.56 0.08 0.00 -0.44 0.00 0.00 54.58 53.72 1xea n ASN 182 Cb 1.10 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 38.63 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 4.21 -4.68 -4.53 4.77 -1.26 -4.92 117.00 110.60 1xea n LEU 183 Ca 0.00 -3.01 -0.42 0.00 -0.03 0.00 0.00 56.01 52.55 1xea n LEU 183 Cb 0.00 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1xea n LEU 183 CO 0.00 0.67 1.38 -1.81 -1.33 0.00 0.00 177.39 176.30 1xea s ASP 184 N -1.75 6.61 -1.29 -1.43 1.11 -1.26 -2.38 116.67 116.28 1xea s ASP 184 Ca 0.44 2.42 -0.07 0.00 0.18 0.00 0.00 52.55 55.53 1xea s ASP 184 Cb 0.36 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.85 1xea s ASP 184 CO 0.10 -0.92 0.43 0.47 1.18 0.00 0.00 175.17 176.43 1xea n ASP 185 N 6.38 -4.16 -4.34 0.27 8.00 -1.26 -4.94 116.55 116.50 1xea n ASP 185 Ca 0.17 -0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.09 1xea n ASP 185 Cb 0.41 -3.43 -0.15 0.00 -0.02 0.00 0.00 41.12 37.93 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 -6.38 2.16 -0.15 0.64 0.20 -1.00 -4.37 118.68 109.78 1xea s LEU 186 Ca 0.32 -0.57 -0.07 0.00 0.69 0.00 0.00 54.13 54.51 1xea s LEU 186 Cb -0.16 -1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 44.25 1xea s LEU 186 CO 0.39 0.27 0.07 -2.28 -0.29 0.00 0.00 176.35 174.52 1xea s HIS 187 N -0.78 3.33 -0.09 5.38 5.65 0.18 -4.99 115.29 123.96 1xea s HIS 187 Ca 0.12 0.22 -0.01 0.00 0.25 0.00 0.00 55.06 55.63 1xea s HIS 187 Cb -0.10 -2.00 0.03 0.00 -1.18 0.00 0.00 32.58 29.32 1xea s HIS 187 CO 0.02 0.35 -0.04 -1.17 -0.65 0.00 0.00 174.74 173.25 1xea s LEU 188 N -0.16 0.89 0.08 8.88 2.96 -1.26 -1.63 118.68 128.44 1xea s LEU 188 Ca 0.08 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 1xea s LEU 188 Cb -0.12 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 1xea s LEU 188 CO 0.01 -0.15 -0.16 0.42 -1.32 0.00 0.00 176.35 175.15 1xea s THR 189 N 1.80 1.30 0.34 3.68 -4.23 -0.31 -5.02 115.64 113.20 1xea s THR 189 Ca 0.04 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1xea s THR 189 Cb -0.12 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1xea s THR 189 CO -0.06 -0.15 0.63 -0.72 -0.54 0.00 0.00 174.62 173.77 1xea s TYR 190 N -1.21 0.43 0.35 3.99 -0.85 -1.26 -0.32 117.35 118.49 1xea s TYR 190 Ca 0.01 -0.89 -0.05 0.00 -0.52 0.00 0.00 57.07 55.61 1xea s TYR 190 Cb -0.10 0.42 0.02 0.00 0.38 0.00 0.00 41.96 42.67 1xea s TYR 190 CO 0.03 -1.30 0.55 -1.58 -1.52 0.00 0.00 175.55 171.73 1xea s HIS 191 N -3.01 0.85 0.00 -3.49 2.46 -0.36 -4.97 115.29 106.77 1xea s HIS 191 Ca 0.21 -1.18 0.00 0.00 0.47 0.00 0.00 55.06 54.56 1xea s HIS 191 Cb -0.03 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1xea s HIS 191 CO 0.13 -1.24 0.00 0.45 -2.47 0.00 0.00 174.74 171.61 1xea n SER 193 N -1.42 0.00 -4.13 9.88 2.88 0.31 -1.06 113.62 120.07 1xea n SER 193 Ca -0.01 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 1xea n SER 193 Cb 0.61 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.02 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 -2.30 0.00 -1.46 1.02 -1.26 -0.60 120.64 116.05 1xea n GLU 194 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1xea n GLU 194 Cb 0.00 -4.21 0.00 0.00 -0.02 0.00 0.00 31.44 27.21 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 -2.14 2.00 3.61 0.62 0.00 -1.26 -5.03 105.19 102.99 1xea n GLY 195 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 2.97 -0.20 0.99 1.43 0.23 -4.91 118.68 119.20 1xea s LEU 196 Ca 0.00 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 51.91 1xea s LEU 196 Cb 0.00 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1xea s LEU 196 CO 0.00 -0.15 0.92 -0.22 0.23 0.00 0.00 176.35 177.12 1xea s LEU 197 N -3.68 4.14 -0.18 1.79 0.20 0.14 0.11 118.68 121.19 1xea s LEU 197 Ca 0.34 1.25 -0.15 0.00 0.69 0.00 0.00 54.13 56.25 1xea s LEU 197 Cb -0.02 -3.36 -0.07 0.00 -0.43 0.00 0.00 46.19 42.32 1xea s LEU 197 CO 0.19 -0.52 -0.25 0.00 -0.29 0.00 0.00 176.35 175.48 1xea n ALA 198 N 5.75 0.76 -2.78 5.97 0.00 -0.22 -2.36 120.51 127.62 1xea n ALA 198 Ca 0.08 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 1xea n ALA 198 Cb 0.48 -0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.60 0.53 -0.05 0.00 1.70 -1.17 -0.10 118.95 117.26 1xea s ARG 199 Ca -0.25 -0.46 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 1xea s ARG 199 Cb 0.05 -0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.00 1xea s ARG 199 CO 0.38 0.11 -0.10 -1.17 -1.08 0.00 0.00 175.30 173.43 1xea s LEU 200 N -0.76 1.61 -0.13 -1.89 2.96 -1.26 -1.23 118.68 117.98 1xea s LEU 200 Ca -0.02 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1xea s LEU 200 Cb -0.06 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.98 1xea s LEU 200 CO 0.00 0.02 -0.05 -1.81 -1.32 0.00 0.00 176.35 173.20 1xea s ASP 201 N 0.60 2.41 -0.12 3.68 1.01 0.56 -4.43 116.67 120.37 1xea s ASP 201 Ca -0.11 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.70 1xea s ASP 201 Cb -0.14 -0.79 0.02 0.00 1.01 0.00 0.00 42.92 43.02 1xea s ASP 201 CO 0.02 -0.17 -0.14 -0.69 0.21 0.00 0.00 175.17 174.41 1xea s VAL 202 N 1.73 1.43 -0.04 -1.27 1.01 0.35 -1.16 120.40 122.45 1xea s VAL 202 Ca 0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1xea s VAL 202 Cb -0.14 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1xea s VAL 202 CO -0.08 0.43 0.25 0.00 0.00 0.00 0.00 175.10 175.70 1xea s GLN 203 N 1.20 0.48 0.16 2.72 -2.07 -0.65 -0.26 119.66 121.25 1xea s GLN 203 Ca -0.02 -0.04 -0.13 0.00 -1.82 0.00 0.00 55.36 53.35 1xea s GLN 203 Cb -0.14 0.22 0.01 0.00 -1.09 0.00 0.00 33.01 32.01 1xea s GLN 203 CO -0.05 -0.11 0.37 1.67 -1.32 0.00 0.00 175.29 175.86 1xea s TRP 204 N -0.79 0.11 -0.25 9.60 -2.14 -0.51 -0.65 118.94 124.32 1xea s TRP 204 Ca -0.09 -0.47 -0.04 0.00 2.66 0.00 0.00 56.10 58.16 1xea s TRP 204 Cb -0.05 0.14 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 1xea s TRP 204 CO 0.02 -0.77 -0.01 -1.14 -2.66 0.00 0.00 176.95 172.39 1xea s GLN 205 N -3.90 3.19 -0.38 3.25 0.74 -1.26 -0.44 119.66 120.85 1xea s GLN 205 Ca 0.11 -0.76 -0.10 0.00 0.05 0.00 0.00 55.36 54.66 1xea s GLN 205 Cb 0.02 -3.10 0.04 0.00 1.10 0.00 0.00 33.01 31.07 1xea s GLN 205 CO -0.04 -0.30 0.21 0.99 -0.55 0.00 0.00 175.29 175.60 1xea s THR 206 N 1.45 4.40 0.00 -0.34 2.01 0.91 -4.93 115.64 119.14 1xea s THR 206 Ca 0.04 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1xea s THR 206 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1xea s THR 206 CO -0.02 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 1xea n GLY 207 N 4.96 3.92 1.54 4.40 0.00 -1.26 -0.95 105.19 117.80 1xea n GLY 207 Ca -0.11 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 9.20 5.03 -4.19 1.61 8.00 -1.26 -4.93 116.55 130.00 1xea n ASP 208 Ca 0.00 -2.86 -0.31 0.00 0.71 0.00 0.00 54.79 52.33 1xea n ASP 208 Cb 0.00 -0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 40.31 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 -2.60 1.97 -0.41 -3.53 2.01 -0.13 -4.38 115.64 108.58 1xea s THR 209 Ca 0.50 -0.96 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 1xea s THR 209 Cb 0.38 -1.72 0.04 0.00 0.01 0.00 0.00 72.50 71.20 1xea s THR 209 CO 0.15 0.54 0.29 -0.22 -0.69 0.00 0.00 174.62 174.69 1xea s LEU 210 N 0.47 5.11 -0.01 4.42 2.96 -1.01 -0.06 118.68 130.57 1xea s LEU 210 Ca -0.16 -1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 52.55 1xea s LEU 210 Cb -0.17 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.34 1xea s LEU 210 CO 0.06 -0.48 0.44 -0.76 -1.32 0.00 0.00 176.35 174.30 1xea s LEU 211 N 1.63 4.45 -0.16 -0.68 1.43 0.42 -1.31 118.68 124.46 1xea s LEU 211 Ca 0.04 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1xea s LEU 211 Cb -0.20 -2.65 0.08 0.00 0.03 0.00 0.00 46.19 43.44 1xea s LEU 211 CO 0.08 0.27 0.30 -2.28 0.23 0.00 0.00 176.35 174.95 1xea s HIS 212 N -0.83 -0.53 -0.22 0.29 2.46 -0.35 -1.42 115.29 114.70 1xea s HIS 212 Ca 0.25 1.00 -0.05 0.00 0.47 0.00 0.00 55.06 56.72 1xea s HIS 212 Cb -0.17 0.01 -0.02 0.00 -0.13 0.00 0.00 32.58 32.27 1xea s HIS 212 CO 0.14 -0.44 -0.00 0.00 -2.47 0.00 0.00 174.74 171.96 1xea s ALA 213 N 2.46 2.97 0.42 1.58 0.00 0.64 -0.03 121.76 129.81 1xea s ALA 213 Ca 0.02 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1xea s ALA 213 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 1xea s ALA 213 CO -0.10 -0.33 0.10 0.45 0.00 0.00 0.00 175.76 175.88 1xea s SER 214 N 1.32 3.01 -0.30 0.00 0.15 -0.07 -0.49 113.70 117.32 1xea s SER 214 Ca 0.04 -1.64 -0.11 0.00 0.70 0.00 0.00 55.95 54.94 1xea s SER 214 Cb -0.15 0.45 0.19 0.00 -1.71 0.00 0.00 66.02 64.80 1xea s SER 214 CO 0.00 -0.89 1.04 0.21 1.20 0.00 0.00 173.24 174.81 1xea s ASN 216 N -3.65 -0.42 0.00 5.45 3.84 -1.24 -1.18 114.94 117.73 1xea s ASN 216 Ca 0.22 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.34 1xea s ASN 216 Cb 0.03 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 42.00 1xea s ASN 216 CO 0.13 -0.08 0.93 0.54 -2.79 0.00 0.00 177.10 175.83 1xea n ARG 217 N 5.11 0.96 -2.67 0.43 5.12 0.86 -1.52 116.66 124.95 1xea n ARG 217 Ca 0.09 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.95 1xea n ARG 217 Cb 0.58 -1.03 0.04 0.00 -1.16 0.00 0.00 32.46 30.89 1xea n ARG 217 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1xea n GLN 218 N -0.47 2.03 -2.53 5.56 7.27 -1.18 -0.31 117.38 127.75 1xea n GLN 218 Ca 0.00 -3.62 -0.28 0.00 0.07 0.00 0.00 57.00 53.17 1xea n GLN 218 Cb 0.02 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 30.97 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 -3.68 3.56 -0.69 3.69 5.36 -0.31 -4.74 117.98 121.17 1xea s PHE 219 Ca 0.32 0.87 0.15 0.00 -0.96 0.00 0.00 56.93 57.30 1xea s PHE 219 Cb 0.35 -2.37 0.67 0.00 -0.34 0.00 0.00 43.02 41.34 1xea s PHE 219 CO -0.02 -0.35 1.45 0.41 -1.46 0.00 0.00 175.22 175.25 1xea n GLY 220 N -2.33 -0.90 3.53 13.12 0.00 -1.26 -3.89 105.19 113.44 1xea n GLY 220 Ca 0.01 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1xea n GLY 220 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xea s ILE 221 N -3.21 0.00 -0.21 -0.61 2.07 -1.26 -4.93 121.20 113.05 1xea s ILE 221 Ca 0.02 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.00 1xea s ILE 221 Cb 0.06 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.65 1xea s ILE 221 CO 0.21 0.00 0.90 -0.89 -1.91 0.00 0.00 174.94 173.25 1xea s THR 222 N -1.57 4.80 0.10 4.00 2.01 -1.26 -4.12 115.64 119.60 1xea s THR 222 Ca -0.06 1.74 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 1xea s THR 222 Cb -0.00 -4.19 0.08 0.00 0.01 0.00 0.00 72.50 68.40 1xea s THR 222 CO 0.04 -0.07 0.81 0.28 -0.69 0.00 0.00 174.62 174.98 1xea s THR 223 N 2.73 0.00 -0.05 -0.82 -1.32 -0.91 -4.97 115.64 110.30 1xea s THR 223 Ca 0.39 -0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 60.60 1xea s THR 223 Cb -0.16 -1.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.55 1xea s THR 223 CO 0.09 0.00 0.05 -0.70 -2.21 0.00 0.00 174.62 171.84 1xea s GLU 224 N -3.41 0.09 0.02 7.08 2.12 -1.26 -0.57 118.70 122.78 1xea s GLU 224 Ca 0.06 0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.77 1xea s GLU 224 Cb -0.02 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.68 1xea s GLU 224 CO -0.06 -0.34 -0.25 -1.01 -0.54 0.00 0.00 175.26 173.06 1xea s HIS 225 N 2.12 2.24 -0.03 5.30 3.76 -0.25 -3.85 115.29 124.58 1xea s HIS 225 Ca 0.05 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1xea s HIS 225 Cb -0.12 -1.38 -0.01 0.00 1.11 0.00 0.00 32.58 32.18 1xea s HIS 225 CO -0.04 0.06 -0.18 0.08 -0.85 0.00 0.00 174.74 173.81 1xea s VAL 226 N -0.72 1.46 -0.06 -0.90 1.01 -0.22 -0.71 120.40 120.27 1xea s VAL 226 Ca 0.11 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1xea s VAL 226 Cb -0.10 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1xea s VAL 226 CO 0.01 0.42 -0.03 -0.89 0.00 0.00 0.00 175.10 174.61 1xea s THR 227 N -0.18 0.49 0.14 3.92 2.01 0.08 -0.32 115.64 121.78 1xea s THR 227 Ca 0.01 -0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1xea s THR 227 Cb -0.10 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1xea s THR 227 CO 0.01 0.24 -0.19 0.00 -0.69 0.00 0.00 174.62 173.99 1xea s ALA 228 N 1.38 1.94 -0.02 7.40 0.00 -0.50 0.10 121.76 132.06 1xea s ALA 228 Ca -0.04 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 1xea s ALA 228 Cb -0.13 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1xea s ALA 228 CO -0.03 0.28 0.26 -1.54 0.00 0.00 0.00 175.76 174.74 1xea s SER 229 N -2.39 -0.14 0.00 0.00 1.04 -0.60 -0.86 113.70 110.75 1xea s SER 229 Ca 0.12 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1xea s SER 229 Cb -0.07 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1xea s SER 229 CO 0.06 -0.40 0.00 -1.22 0.98 0.00 0.00 173.24 172.66 1xea n TYR 230 N 1.46 0.00 -2.50 5.02 4.02 0.12 0.12 117.16 125.40 1xea n TYR 230 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.25 1xea n TYR 230 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.86 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 -0.50 7.02 -2.02 7.72 1.01 -1.26 -3.26 116.67 125.37 1xea s ASP 231 Ca 0.00 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.88 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 -0.70 0.00 0.59 0.21 0.00 0.00 175.17 175.27 1xea n ASN 232 N 6.25 -5.32 -3.89 0.27 5.03 -1.26 -4.94 115.26 111.40 1xea n ASN 232 Ca 0.13 0.47 -0.11 0.00 0.87 0.00 0.00 54.58 55.94 1xea n ASN 232 Cb 0.46 -4.62 -0.12 0.00 -1.02 0.00 0.00 39.78 34.48 1xea n ASN 232 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xea s VAL 233 N -2.61 0.05 0.14 2.41 1.01 -1.20 -4.30 120.40 115.90 1xea s VAL 233 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1xea s VAL 233 Cb 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.17 1xea s VAL 233 CO 0.00 -0.24 0.43 0.00 0.00 0.00 0.00 175.10 175.29 1xea s ALA 234 N -0.76 -0.95 0.02 5.51 0.00 -0.69 0.12 121.76 125.00 1xea s ALA 234 Ca -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1xea s ALA 234 Cb -0.05 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1xea s ALA 234 CO 0.00 -0.67 0.09 0.71 0.00 0.00 0.00 175.76 175.89 1xea s TYR 235 N -3.81 0.13 -0.22 0.00 1.51 -0.04 -0.71 117.35 114.20 1xea s TYR 235 Ca 0.04 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1xea s TYR 235 Cb 0.01 -0.10 0.11 0.00 -0.11 0.00 0.00 41.96 41.87 1xea s TYR 235 CO -0.11 -0.29 0.27 -1.17 -1.11 0.00 0.00 175.55 173.15 1xea s LEU 236 N -1.60 -0.27 -0.21 -1.29 0.20 -0.52 -1.42 118.68 113.58 1xea s LEU 236 Ca -0.12 -0.13 -0.09 0.00 0.69 0.00 0.00 54.13 54.48 1xea s LEU 236 Cb -0.06 0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 46.26 1xea s LEU 236 CO -0.00 -0.32 0.10 -0.36 -0.29 0.00 0.00 176.35 175.47 1xea s PHE 237 N 2.39 3.27 -1.94 5.38 0.40 0.56 -0.85 117.98 127.19 1xea s PHE 237 Ca 0.09 0.10 0.23 0.00 -0.60 0.00 0.00 56.93 56.74 1xea s PHE 237 Cb -0.16 -2.15 0.65 0.00 0.51 0.00 0.00 43.02 41.87 1xea s PHE 237 CO -0.15 0.10 1.55 -0.40 0.70 0.00 0.00 175.22 177.02 1xea n ASP 238 N 3.86 4.00 -2.95 1.36 5.75 -1.22 -1.05 116.55 126.29 1xea n ASP 238 Ca -0.16 -2.01 0.01 0.00 -0.01 0.00 0.00 54.79 52.62 1xea n ASP 238 Cb 0.52 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.64 -0.90 -0.38 -1.12 3.41 -1.25 -4.66 113.62 110.36 1xea n SER 239 Ca 0.25 -1.24 0.14 0.00 -0.26 0.00 0.00 58.87 57.75 1xea n SER 239 Cb 0.63 1.41 0.54 0.00 -0.26 0.00 0.00 64.21 66.53 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 -0.63 0.00 -0.01 7.33 3.01 -1.26 -4.20 117.46 121.70 1xea n PHE 240 Ca 0.03 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.49 1xea n PHE 240 Cb 0.41 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 1xea n PHE 240 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1xea n THR 241 N -0.12 0.18 -4.33 4.37 -2.24 -1.26 -4.56 114.28 106.30 1xea n THR 241 Ca 0.18 -0.20 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1xea n THR 241 Cb 0.33 -0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 1xea n THR 241 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xea s GLN 242 N -2.33 1.34 0.00 -0.78 -0.21 -1.26 -0.14 119.66 116.28 1xea s GLN 242 Ca -0.03 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.69 1xea s GLN 242 Cb 0.03 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.34 1xea s GLN 242 CO 0.27 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1xea n GLY 243 N -0.42 0.39 0.00 3.09 0.00 -0.32 -3.46 105.19 104.48 1xea n GLY 243 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.08 3.49 -3.31 1.61 5.02 -0.03 -0.95 118.16 123.91 1xea n LYS 244 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1xea n LYS 244 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 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 0.98 -0.48 -0.02 2.13 0.51 0.11 -1.44 118.94 120.74 1xea s TRP 246 Ca 0.00 0.79 -0.25 0.00 -2.12 0.00 0.00 56.10 54.52 1xea s TRP 246 Cb 0.00 0.27 0.05 0.00 -0.81 0.00 0.00 33.47 32.99 1xea s TRP 246 CO 0.00 -0.24 0.54 -0.98 -0.51 0.00 0.00 176.95 175.76 1xea s ARG 247 N 2.37 0.94 -1.32 4.98 1.70 -0.48 -1.70 118.95 125.45 1xea s ARG 247 Ca -0.01 0.03 -0.07 0.00 -0.47 0.00 0.00 55.73 55.21 1xea s ARG 247 Cb -0.05 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.82 1xea s ARG 247 CO -0.16 -0.30 0.47 -0.25 -1.08 0.00 0.00 175.30 173.98 1xea n ASP 248 N 0.91 -4.29 -3.89 -2.89 8.00 -1.26 -0.54 116.55 112.60 1xea n ASP 248 Ca -0.20 -0.31 -0.29 0.00 0.71 0.00 0.00 54.79 54.70 1xea n ASP 248 Cb 0.57 -3.53 0.03 0.00 -0.02 0.00 0.00 41.12 38.17 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 -2.30 -4.37 -3.96 -2.24 5.15 -1.26 -4.97 115.26 101.31 1xea n ASN 249 Ca -0.05 -0.78 -0.11 0.00 -0.60 0.00 0.00 54.58 53.04 1xea n ASN 249 Cb 0.57 -3.92 -0.12 0.00 -0.53 0.00 0.00 39.78 35.78 1xea n ASN 249 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1xea s GLN 250 N -6.54 0.27 -0.19 1.20 0.74 0.30 -5.14 119.66 110.29 1xea s GLN 250 Ca 0.58 -0.46 -0.05 0.00 0.05 0.00 0.00 55.36 55.48 1xea s GLN 250 Cb -0.29 0.01 -0.03 0.00 1.10 0.00 0.00 33.01 33.80 1xea s GLN 250 CO 0.83 -0.02 0.00 -2.00 -0.55 0.00 0.00 175.29 173.55 1xea s GLU 251 N -1.06 3.66 0.18 1.67 2.12 -1.26 -1.38 118.70 122.63 1xea s GLU 251 Ca -0.11 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 54.78 1xea s GLU 251 Cb -0.07 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1xea s GLU 251 CO -0.01 0.07 -0.12 -1.54 -0.54 0.00 0.00 175.26 173.12 1xea s SER 252 N 0.86 2.23 -0.10 -1.70 1.04 -1.26 -5.03 113.70 109.74 1xea s SER 252 Ca 0.01 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 1xea s SER 252 Cb -0.14 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 1xea s SER 252 CO 0.02 -0.26 0.24 -0.60 0.98 0.00 0.00 173.24 173.62 1xea s ARG 253 N -3.70 3.78 -0.09 4.02 3.52 -1.26 -4.45 118.95 120.77 1xea s ARG 253 Ca 0.20 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.88 1xea s ARG 253 Cb 0.01 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1xea s ARG 253 CO 0.04 0.62 -0.17 0.14 -0.81 0.00 0.00 175.30 175.12 1xea s VAL 254 N -0.65 1.55 0.19 7.11 -7.23 -0.12 -5.00 120.40 116.25 1xea s VAL 254 Ca 0.17 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 1xea s VAL 254 Cb -0.13 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1xea s VAL 254 CO 0.06 0.45 0.21 0.00 -0.31 0.00 0.00 175.10 175.51 1xea s ALA 255 N 0.64 0.63 0.26 1.32 0.00 -1.26 -1.17 121.76 122.18 1xea s ALA 255 Ca -0.14 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.20 1xea s ALA 255 Cb -0.16 1.14 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 1xea s ALA 255 CO 0.04 -0.63 0.89 -1.17 0.00 0.00 0.00 175.76 174.88 1xea s LEU 256 N -3.08 4.48 0.59 0.00 2.96 0.80 -4.99 118.68 119.44 1xea s LEU 256 Ca 0.29 1.78 -0.18 0.00 -0.22 0.00 0.00 54.13 55.81 1xea s LEU 256 Cb 0.05 -3.71 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1xea s LEU 256 CO 0.08 0.06 0.60 0.29 -1.32 0.00 0.00 176.35 176.06 1xea n LYS 257 N 1.04 0.56 -1.56 1.98 5.02 -1.26 -4.93 118.16 119.00 1xea n LYS 257 Ca -0.01 0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 1xea n LYS 257 Cb 0.49 -1.80 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 1xea n LYS 257 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xea s ASP 258 N -1.21 5.13 -0.26 4.39 2.15 -1.26 -3.35 116.67 122.25 1xea s ASP 258 Ca 0.70 1.75 0.00 0.00 0.43 0.00 0.00 52.55 55.44 1xea s ASP 258 Cb -0.43 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.67 1xea s ASP 258 CO 0.53 -1.62 0.00 0.79 -0.17 0.00 0.00 175.17 174.70 1xea n TRP 259 N -3.02 0.00 -2.56 -5.34 7.02 -1.26 -4.98 117.44 107.30 1xea n TRP 259 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1xea n TRP 259 Cb 0.53 -1.23 -0.03 0.00 -2.42 0.00 0.00 31.31 28.17 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 -1.71 4.48 0.00 -0.99 2.01 -1.21 -5.17 115.64 113.05 1xea s THR 260 Ca 0.00 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1xea s THR 260 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1xea s THR 260 CO 0.00 -0.03 0.00 -0.81 -0.69 0.00 0.00 174.62 173.09 1xea n PRO 261 N 5.35 2.58 0.00 4.92 -0.04 -1.26 -4.81 135.00 141.74 1xea n PRO 261 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1xea n PRO 261 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.16 1.53 4.77 -1.26 -1.75 117.00 120.13 1xea n LEU 263 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1xea n LEU 263 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xea n LEU 263 CO 0.00 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 176.78 1xea h ALA 264 N 0.00 0.64 -0.65 -1.18 0.00 -1.95 -2.27 119.26 113.85 1xea h ALA 264 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1xea h ALA 264 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xea h ALA 264 CO 0.00 0.55 0.43 0.66 0.00 0.00 0.00 179.25 180.90 1xea h SER 265 N 0.75 0.70 -0.05 0.00 4.64 -1.66 0.58 113.55 118.52 1xea h SER 265 Ca 0.12 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xea h SER 265 Cb 0.68 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xea h SER 265 CO 0.05 0.49 0.00 0.29 -0.87 0.00 0.00 176.83 176.79 1xea n LYS 266 N -4.45 1.30 -1.00 4.77 5.02 -1.05 -4.31 118.16 118.44 1xea n LYS 266 Ca 0.08 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1xea n LYS 266 Cb 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.06 0.11 0.18 0.72 0.00 0.20 -4.73 105.19 101.72 1xea n GLY 267 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.62 -0.26 1.61 -1.00 -1.58 -3.19 116.94 113.13 1xea h PHE 268 Ca 0.00 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.65 1xea h PHE 268 Cb 0.79 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 1xea h PHE 268 CO 0.50 0.72 0.15 -0.44 -1.61 0.00 0.00 178.31 177.62 1xea h ASP 269 N 0.34 0.33 0.00 2.17 3.45 -1.82 -1.25 116.42 119.63 1xea h ASP 269 Ca 0.08 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xea h ASP 269 Cb 0.50 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1xea h ASP 269 CO 0.02 0.31 0.00 0.00 -1.57 0.00 0.00 179.24 178.01 1xea n ALA 270 N -2.21 1.18 0.00 3.45 0.00 -1.21 -1.29 120.51 120.44 1xea n ALA 270 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xea n ALA 270 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.68 0.00 0.06 0.00 0.31 -0.47 -2.12 118.33 116.80 1xea n VAL 272 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1xea n VAL 272 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.63 5.55 5.75 -1.44 0.99 115.11 125.20 1xea h GLN 273 Ca 0.00 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1xea h GLN 273 Cb 0.00 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.53 1xea h GLN 273 CO 0.00 0.13 0.35 0.22 -2.65 0.00 0.00 178.83 176.88 1xea h ASP 274 N -0.39 0.54 0.12 -0.69 3.58 -1.69 -2.03 116.42 115.86 1xea h ASP 274 Ca -0.01 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1xea h ASP 274 Cb 0.32 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1xea h ASP 274 CO 0.02 0.36 -0.06 -0.25 -2.88 0.00 0.00 179.24 176.44 1xea h TRP 275 N 0.67 -0.15 -0.89 0.28 -0.00 -1.82 -1.61 115.95 112.44 1xea h TRP 275 Ca 0.27 -0.00 0.05 0.00 -0.00 0.00 0.00 58.89 59.21 1xea h TRP 275 Cb 0.13 0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 29.28 1xea h TRP 275 CO -0.07 0.02 0.58 -0.07 -0.00 0.00 0.00 178.44 178.90 1xea h LEU 276 N -0.29 0.92 -0.39 0.65 3.38 -0.55 0.16 115.31 119.19 1xea h LEU 276 Ca -0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1xea h LEU 276 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xea h LEU 276 CO 0.03 0.61 -0.05 1.56 0.09 0.00 0.00 178.44 180.68 1xea h GLN 277 N 1.06 0.73 -0.26 1.13 4.20 -1.25 0.12 115.11 120.84 1xea h GLN 277 Ca 0.37 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.84 1xea h GLN 277 Cb 0.10 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1xea h GLN 277 CO -0.12 0.84 0.10 0.28 -0.67 0.00 0.00 178.83 179.26 1xea h VAL 278 N 0.54 0.95 -0.38 -0.54 2.07 -0.36 0.86 116.25 119.39 1xea h VAL 278 Ca 0.11 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1xea h VAL 278 Cb 0.55 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1xea h VAL 278 CO 0.03 0.04 -0.08 0.00 0.02 0.00 0.00 177.57 177.58 1xea h ALA 279 N 1.16 0.53 0.00 1.67 0.00 -0.60 0.61 119.26 122.62 1xea h ALA 279 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xea h ALA 279 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xea h ALA 279 CO -0.11 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1xea h ALA 280 N 0.84 1.00 -0.01 0.00 0.00 -0.36 -1.70 119.26 119.04 1xea h ALA 280 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xea h ALA 280 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xea h ALA 280 CO 0.04 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 178.80 1xea n ALA 281 N -1.89 3.52 -1.47 0.00 0.00 0.26 -4.96 120.51 115.98 1xea n ALA 281 Ca 0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.75 1xea n ALA 281 Cb 0.20 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 1xea n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xea n GLY 282 N 1.26 1.56 3.11 0.00 0.00 0.17 -4.93 105.19 106.36 1xea n GLY 282 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.38 0.66 -0.19 1.61 1.02 -0.97 -4.31 119.74 114.18 1xea s LYS 283 Ca 0.00 -0.89 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1xea s LYS 283 Cb 0.00 -0.46 0.08 0.00 -0.52 0.00 0.00 37.83 36.93 1xea s LYS 283 CO 0.00 0.09 0.16 -1.17 -0.92 0.00 0.00 175.35 173.51 1xea s LEU 284 N -1.80 0.09 0.17 3.17 2.96 -1.26 -4.57 118.68 117.44 1xea s LEU 284 Ca -0.05 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.15 1xea s LEU 284 Cb -0.08 0.11 -0.17 0.00 0.50 0.00 0.00 46.19 46.54 1xea s LEU 284 CO 0.01 -0.34 0.66 -0.81 -1.32 0.00 0.00 176.35 174.55 1xea n PRO 285 N 5.30 0.09 -0.27 0.98 -0.04 -1.26 -4.75 135.00 135.05 1xea n PRO 285 Ca -0.06 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.45 1xea n PRO 285 Cb 0.49 -1.15 0.15 0.00 -0.04 0.00 0.00 33.50 32.95 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 1.45 0.91 -0.13 0.52 2.02 -2.00 -1.96 112.91 113.71 1xea h THR 286 Ca -0.33 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1xea h THR 286 Cb 1.43 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1xea h THR 286 CO 0.59 0.13 0.02 1.12 0.37 0.00 0.00 175.52 177.75 1xea h HIS 287 N 0.73 0.18 -0.18 3.16 2.07 -1.99 -0.83 115.15 118.29 1xea h HIS 287 Ca 0.37 -0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.70 1xea h HIS 287 Cb 0.33 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.26 1xea h HIS 287 CO -0.07 0.18 -0.63 0.82 -3.07 0.00 0.00 177.93 175.15 1xea h ILE 288 N 0.19 1.30 -0.31 6.12 2.04 -1.71 -2.29 117.51 122.84 1xea h ILE 288 Ca 0.05 -1.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 1xea h ILE 288 Cb 0.10 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1xea h ILE 288 CO -0.00 0.58 0.18 0.40 0.00 0.00 0.00 178.15 179.32 1xea h ILE 289 N 0.47 1.11 -0.12 -0.67 2.04 -1.01 -1.75 117.51 117.57 1xea h ILE 289 Ca -0.03 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1xea h ILE 289 Cb 1.26 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1xea h ILE 289 CO 0.13 0.11 0.01 -0.33 0.00 0.00 0.00 178.15 178.08 1xea h GLU 290 N 0.40 0.17 -0.16 2.37 5.08 -1.17 -0.83 114.58 120.43 1xea h GLU 290 Ca 0.11 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1xea h GLU 290 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xea h GLU 290 CO -0.02 0.18 -0.15 -0.09 -1.00 0.00 0.00 179.01 177.93 1xea h ARG 291 N 0.17 0.39 0.25 2.33 2.43 -0.91 0.94 114.38 119.98 1xea h ARG 291 Ca 0.04 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1xea h ARG 291 Cb 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1xea h ARG 291 CO 0.00 0.75 -0.25 -0.91 -1.51 0.00 0.00 179.97 178.05 1xea h ASN 292 N 0.03 -0.68 -0.12 -3.80 2.35 -0.71 0.61 115.58 113.27 1xea h ASN 292 Ca 0.03 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1xea h ASN 292 Cb 0.68 0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.24 1xea h ASN 292 CO 0.04 -0.37 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.25 1xea h LEU 293 N -0.54 -0.40 -0.25 1.61 3.38 -1.16 -1.87 115.31 116.08 1xea h LEU 293 Ca -0.01 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1xea h LEU 293 Cb 0.50 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1xea h LEU 293 CO -0.06 -0.17 -0.07 0.00 0.09 0.00 0.00 178.44 178.23 1xea h ALA 294 N 0.90 0.16 -0.91 1.53 0.00 -0.49 -0.13 119.26 120.33 1xea h ALA 294 Ca 0.09 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1xea h ALA 294 Cb 0.29 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1xea h ALA 294 CO -0.21 -0.47 0.60 0.77 0.00 0.00 0.00 179.25 179.93 1xea h SER 295 N -0.01 0.97 -0.29 0.00 0.02 -0.60 0.77 113.55 114.42 1xea h SER 295 Ca 0.12 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 1xea h SER 295 Cb 0.19 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1xea h SER 295 CO -0.26 0.65 -0.46 0.45 -1.14 0.00 0.00 176.83 176.07 1xea h HIS 296 N 1.12 1.06 -0.08 3.45 -0.00 -0.57 -1.35 115.15 118.78 1xea h HIS 296 Ca 0.37 -0.34 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 1xea h HIS 296 Cb 0.06 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1xea h HIS 296 CO -0.00 1.16 -0.39 1.96 -0.00 0.00 0.00 177.93 180.66 1xea h GLN 297 N 0.69 0.16 -0.44 2.45 4.20 -0.55 -0.68 115.11 120.94 1xea h GLN 297 Ca 0.04 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1xea h GLN 297 Cb 1.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1xea h GLN 297 CO 0.11 0.53 -0.16 1.25 -0.67 0.00 0.00 178.83 179.89 1xea h LEU 298 N 0.14 0.90 -0.72 1.46 6.46 -0.69 -0.31 115.31 122.55 1xea h LEU 298 Ca 0.01 -0.38 -0.02 0.00 -0.12 0.00 0.00 57.88 57.37 1xea h LEU 298 Cb 0.75 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1xea h LEU 298 CO 0.06 1.08 0.37 0.00 -0.62 0.00 0.00 178.44 179.33 1xea h ALA 299 N 0.85 0.92 0.05 1.25 0.00 -0.81 -0.29 119.26 121.23 1xea h ALA 299 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xea h ALA 299 Cb 0.71 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xea h ALA 299 CO 0.05 0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.65 1xea h GLU 300 N 1.00 -0.11 -0.93 0.00 4.39 -0.84 -1.21 114.58 116.89 1xea h GLU 300 Ca 0.25 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.05 1xea h GLU 300 Cb 0.07 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1xea h GLU 300 CO -0.04 -0.07 0.57 0.00 -1.16 0.00 0.00 179.01 178.32 1xea h ALA 301 N 0.84 1.33 -0.45 3.43 0.00 -0.68 -0.46 119.26 123.27 1xea h ALA 301 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xea h ALA 301 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xea h ALA 301 CO -0.01 0.25 0.01 0.82 0.00 0.00 0.00 179.25 180.31 1xea h ILE 302 N 0.98 1.26 0.25 0.00 2.04 -0.68 -3.19 117.51 118.16 1xea h ILE 302 Ca 0.43 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1xea h ILE 302 Cb 0.32 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1xea h ILE 302 CO -0.22 0.36 -0.12 0.00 0.00 0.00 0.00 178.15 178.17 1xea n GLN 304 N -5.12 1.44 0.00 0.00 6.02 -0.24 -1.27 117.38 118.21 1xea n GLN 304 Ca -0.09 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 1xea n GLN 304 Cb 0.23 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.90 1xea n GLN 304 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1xea n GLN 305 N 2.16 0.00 -0.02 -1.09 -0.06 -1.12 -4.73 117.38 112.52 1xea n GLN 305 Ca 0.23 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 55.10 1xea n GLN 305 Cb 0.68 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.75 1xea n GLN 305 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1xea h ILE 306 N 0.00 1.43 -0.61 1.69 2.04 -1.02 -1.53 117.51 119.51 1xea h ILE 306 Ca 0.00 -1.31 0.10 0.00 1.00 0.00 0.00 64.86 64.66 1xea h ILE 306 Cb 0.00 2.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 1xea h ILE 306 CO 0.00 0.34 0.20 0.74 0.00 0.00 0.00 178.15 179.43 1xea h THR 307 N -0.57 0.73 0.60 -0.27 2.02 -1.44 0.39 112.91 114.38 1xea h THR 307 Ca -0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1xea h THR 307 Cb 0.56 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1xea h THR 307 CO 0.00 0.07 -0.29 -0.61 0.37 0.00 0.00 175.52 175.06 1xea h GLN 308 N 0.37 -0.77 0.23 6.66 4.15 -1.76 -2.50 115.11 121.49 1xea h GLN 308 Ca 0.31 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1xea h GLN 308 Cb 0.42 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1xea h GLN 308 CO -0.34 -0.49 -0.25 1.96 -1.93 0.00 0.00 178.83 177.78 1xea h GLN 309 N -0.87 -0.50 -0.77 1.69 4.20 -0.74 -2.73 115.11 115.39 1xea h GLN 309 Ca -0.08 0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.84 1xea h GLN 309 Cb 0.64 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.41 1xea h GLN 309 CO 0.14 -0.33 0.11 0.28 -0.67 0.00 0.00 178.83 178.35 1xea h VAL 310 N -0.52 0.40 0.00 -0.54 2.07 -0.26 -2.40 116.25 115.01 1xea h VAL 310 Ca 0.00 -0.06 -0.64 0.00 0.82 0.00 0.00 66.70 66.82 1xea h VAL 310 Cb 0.49 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1xea h VAL 310 CO -0.07 0.03 3.41 0.35 0.02 0.00 0.00 177.57 181.32 1xea n THR 311 N -5.25 3.69 -1.49 2.57 -2.24 -0.94 -5.10 114.28 105.52 1xea n THR 311 Ca 0.15 -2.49 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 1xea n THR 311 Cb 0.51 -2.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.20 1xea n THR 311 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79