#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 2.36 -0.32 2.46 1.43 -0.80 -5.02 118.68 118.80 1xea s LEU 3 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1xea s LEU 3 Cb 0.00 -0.21 0.07 0.00 0.03 0.00 0.00 46.19 46.08 1xea s LEU 3 CO 0.00 -0.27 0.02 -0.75 0.23 0.00 0.00 176.35 175.57 1xea s LYS 4 N -2.49 2.15 -0.03 1.70 2.20 -1.26 -1.01 119.74 120.99 1xea s LYS 4 Ca 0.00 -1.48 -0.02 0.00 -0.36 0.00 0.00 55.97 54.11 1xea s LYS 4 Cb -0.04 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1xea s LYS 4 CO -0.01 -0.74 0.10 0.42 -0.36 0.00 0.00 175.35 174.76 1xea s ILE 5 N 1.14 4.93 0.00 5.43 1.09 -0.47 0.50 121.20 133.82 1xea s ILE 5 Ca -0.01 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 1xea s ILE 5 Cb -0.20 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1xea s ILE 5 CO -0.04 0.41 0.00 0.00 -0.10 0.00 0.00 174.94 175.22 1xea n ALA 6 N 1.36 0.00 -3.53 9.38 0.00 -0.09 -1.81 120.51 125.82 1xea n ALA 6 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1xea n ALA 6 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 0.83 -0.07 0.00 0.00 1.09 -1.26 -4.23 121.20 117.57 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 3.74 -1.91 3.32 6.18 0.00 0.65 -0.52 105.19 116.64 1xea n GLY 9 Ca -0.15 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.04 5.58 0.00 0.99 4.77 -1.26 -3.84 117.00 123.20 1xea n LEU 10 Ca 0.00 -4.80 0.00 0.00 -0.03 0.00 0.00 56.01 51.18 1xea n LEU 10 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1xea n LEU 10 CO 0.00 1.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1xea n GLY 11 N 3.11 1.01 0.40 -0.72 0.00 -1.26 -4.77 105.19 102.96 1xea n GLY 11 Ca 0.31 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.84 -0.53 1.61 -0.00 -1.93 -1.02 116.42 113.71 1xea h ASP 12 Ca 0.00 0.01 0.09 0.00 -0.00 0.00 0.00 57.03 57.13 1xea h ASP 12 Cb 0.00 0.22 -0.03 0.00 -0.00 0.00 0.00 39.33 39.52 1xea h ASP 12 CO 0.00 -0.54 0.36 0.40 -0.00 0.00 0.00 179.24 179.46 1xea h ILE 13 N -1.09 0.91 -0.06 2.25 2.04 -1.95 0.18 117.51 119.78 1xea h ILE 13 Ca -0.10 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1xea h ILE 13 Cb 0.78 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1xea h ILE 13 CO 0.17 0.06 -0.06 0.00 0.00 0.00 0.00 178.15 178.32 1xea h ALA 14 N 1.73 0.09 -0.04 1.87 0.00 -1.84 -1.79 119.26 119.28 1xea h ALA 14 Ca 0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xea h ALA 14 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xea h ALA 14 CO -0.06 -0.10 -0.42 1.96 0.00 0.00 0.00 179.25 180.63 1xea h GLN 15 N -0.29 0.08 0.10 0.00 4.20 -0.42 0.13 115.11 118.90 1xea h GLN 15 Ca 0.01 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 58.40 1xea h GLN 15 Cb 0.57 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1xea h GLN 15 CO 0.02 0.49 -1.38 0.87 -0.67 0.00 0.00 178.83 178.15 1xea h LYS 16 N 0.07 0.21 0.00 1.46 1.57 -0.67 -3.40 116.57 115.81 1xea h LYS 16 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1xea h LYS 16 Cb 0.77 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1xea h LYS 16 CO 0.06 1.09 0.00 0.00 -0.57 0.00 0.00 179.45 180.03 1xea n ALA 17 N -2.58 3.00 0.13 3.86 0.00 -0.68 -4.79 120.51 119.46 1xea n ALA 17 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1xea n ALA 17 Cb 1.02 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.81 -0.40 0.00 -1.99 -1.51 -1.57 116.97 110.69 1xea h TYR 18 Ca 0.00 0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.82 1xea h TYR 18 Cb 0.00 0.32 -0.09 0.00 2.00 0.00 0.00 36.73 38.96 1xea h TYR 18 CO 0.00 -0.36 -0.31 1.25 -0.00 0.00 0.00 178.16 178.74 1xea h LEU 19 N -0.51 -1.02 -1.73 3.88 6.46 -1.02 0.21 115.31 121.58 1xea h LEU 19 Ca -0.02 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1xea h LEU 19 Cb 0.46 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1xea h LEU 19 CO -0.08 -0.31 0.22 1.55 -0.62 0.00 0.00 178.44 179.21 1xea h PRO 20 N -0.23 0.35 0.02 5.25 0.13 -1.73 0.94 132.00 136.72 1xea h PRO 20 Ca 0.18 -0.02 -0.22 0.00 -0.87 0.00 0.00 66.00 65.07 1xea h PRO 20 Cb 0.53 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 31.60 1xea h PRO 20 CO -0.53 0.23 -0.87 0.28 -0.23 0.00 0.00 178.00 176.88 1xea h VAL 21 N 0.36 1.36 -0.13 1.56 2.07 -0.07 -3.31 116.25 118.08 1xea h VAL 21 Ca 0.13 -2.22 -0.10 0.00 0.82 0.00 0.00 66.70 65.34 1xea h VAL 21 Cb 0.10 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1xea h VAL 21 CO -0.03 0.66 -0.30 -0.07 0.02 0.00 0.00 177.57 177.86 1xea h LEU 22 N 0.12 0.50 0.00 2.57 4.07 -0.25 -2.58 115.31 119.73 1xea h LEU 22 Ca -0.12 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.28 1xea h LEU 22 Cb 1.56 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1xea h LEU 22 CO 0.17 0.97 0.03 0.00 -1.08 0.00 0.00 178.44 178.53 1xea n ALA 23 N -2.49 0.99 0.12 1.53 0.00 0.29 -0.31 120.51 120.64 1xea n ALA 23 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1xea n ALA 23 Cb 0.48 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.39 1.54 -1.94 0.00 0.00 -1.17 -5.01 117.38 109.42 1xea n GLN 24 Ca 0.00 -0.05 -0.41 0.00 -0.00 0.00 0.00 57.00 56.54 1xea n GLN 24 Cb 0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 30.24 29.16 1xea n GLN 24 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 1xea s TRP 25 N -2.32 2.90 0.34 3.69 -0.00 0.58 -4.98 118.94 119.16 1xea s TRP 25 Ca -0.01 1.01 -0.26 0.00 -0.00 0.00 0.00 56.10 56.84 1xea s TRP 25 Cb 0.06 -3.89 -0.09 0.00 -0.00 0.00 0.00 33.47 29.54 1xea s TRP 25 CO 0.34 -2.87 1.01 -1.25 -0.00 0.00 0.00 176.95 174.18 1xea s PRO 26 N -0.73 4.46 -1.10 5.86 0.04 -1.26 -4.03 135.00 138.23 1xea s PRO 26 Ca 0.59 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1xea s PRO 26 Cb -0.44 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1xea s PRO 26 CO 0.48 0.13 0.94 -0.25 0.04 0.00 0.00 177.00 178.33 1xea n ASP 27 N 0.51 -3.82 -3.65 6.66 9.92 -1.26 -4.95 116.55 119.96 1xea n ASP 27 Ca 0.02 -0.50 -0.15 0.00 -0.53 0.00 0.00 54.79 53.63 1xea n ASP 27 Cb 0.49 -4.45 -0.14 0.00 -0.64 0.00 0.00 41.12 36.37 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 -3.29 -0.35 -0.11 0.53 1.01 -1.26 -1.91 121.20 115.83 1xea s ILE 28 Ca 0.24 0.28 -0.14 0.00 0.00 0.00 0.00 60.65 61.03 1xea s ILE 28 Cb -0.11 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1xea s ILE 28 CO 0.63 0.10 0.33 -0.70 0.00 0.00 0.00 174.94 175.31 1xea s GLU 29 N 2.36 4.10 0.12 2.79 2.12 -0.18 -4.97 118.70 125.05 1xea s GLU 29 Ca 0.02 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.58 1xea s GLU 29 Cb -0.12 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1xea s GLU 29 CO -0.08 0.39 0.23 -0.51 -0.54 0.00 0.00 175.26 174.76 1xea s LEU 30 N -0.04 4.25 -0.35 2.70 1.43 -1.26 -1.37 118.68 124.04 1xea s LEU 30 Ca 0.20 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1xea s LEU 30 Cb -0.14 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.36 1xea s LEU 30 CO 0.07 0.10 0.17 -0.69 0.23 0.00 0.00 176.35 176.23 1xea s VAL 31 N -1.65 0.51 0.41 -1.59 1.01 -0.75 -4.44 120.40 113.90 1xea s VAL 31 Ca 0.34 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.46 1xea s VAL 31 Cb -0.12 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 34.80 1xea s VAL 31 CO 0.27 -0.85 1.17 -0.76 0.00 0.00 0.00 175.10 174.93 1xea s LEU 32 N 1.27 4.17 -0.21 3.92 1.43 -0.71 -4.51 118.68 124.03 1xea s LEU 32 Ca 0.14 2.34 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1xea s LEU 32 Cb -0.21 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.03 1xea s LEU 32 CO -0.13 -0.71 0.51 0.00 0.23 0.00 0.00 176.35 176.25 1xea s THR 34 N 1.59 0.00 0.03 0.00 -1.32 -1.03 -0.26 115.64 114.66 1xea s THR 34 Ca -0.09 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.26 1xea s THR 34 Cb -0.08 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.86 1xea s THR 34 CO -0.15 0.00 1.19 0.03 -2.21 0.00 0.00 174.62 173.48 1xea h ARG 35 N 2.34 -0.32 -6.23 7.08 2.47 -1.89 -3.39 114.38 114.45 1xea h ARG 35 Ca -0.22 0.02 -0.56 0.00 -1.26 0.00 0.00 59.98 57.96 1xea h ARG 35 Cb 1.20 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 29.61 1xea h ARG 35 CO 0.33 -0.21 1.31 -1.71 0.56 0.00 0.00 179.97 180.25 1xea n ASN 36 N -3.42 3.80 0.17 7.04 2.85 -1.26 -4.88 115.26 119.56 1xea n ASN 36 Ca -0.04 0.68 0.04 0.00 -0.11 0.00 0.00 54.58 55.15 1xea n ASN 36 Cb 0.16 -1.52 0.28 0.00 1.24 0.00 0.00 39.78 39.93 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 11.94 0.00 0.54 1.20 0.13 -1.98 -1.80 132.00 142.03 1xea h PRO 37 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1xea h PRO 37 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1xea h PRO 37 CO 0.95 0.43 -0.26 -0.22 -0.23 0.00 0.00 178.00 178.67 1xea h LYS 38 N 0.00 -0.69 -0.63 0.86 3.64 -1.97 -1.23 116.57 116.55 1xea h LYS 38 Ca -0.00 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1xea h LYS 38 Cb 0.99 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1xea h LYS 38 CO 0.06 -0.46 0.32 0.28 -2.27 0.00 0.00 179.45 177.38 1xea h VAL 39 N -0.82 0.92 -0.49 2.00 2.07 -1.98 -0.19 116.25 117.76 1xea h VAL 39 Ca -0.07 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1xea h VAL 39 Cb 0.55 0.28 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 1xea h VAL 39 CO 0.12 0.11 -0.22 0.25 0.02 0.00 0.00 177.57 177.85 1xea h LEU 40 N 0.60 -0.77 -0.48 2.57 5.85 -1.29 0.22 115.31 122.01 1xea h LEU 40 Ca 0.29 0.18 -0.17 0.00 0.84 0.00 0.00 57.88 59.02 1xea h LEU 40 Cb 0.22 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1xea h LEU 40 CO -0.20 -0.25 -0.62 1.23 -0.34 0.00 0.00 178.44 178.26 1xea h GLY 41 N -0.11 0.54 0.97 3.75 0.00 -0.64 -1.02 103.07 106.56 1xea h GLY 41 Ca 0.23 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1xea h GLY 41 CO -0.56 0.60 -0.13 -0.84 0.00 0.00 0.00 176.54 175.61 1xea h THR 42 N 0.36 0.73 -0.30 4.70 2.02 -0.07 -0.27 112.91 120.08 1xea h THR 42 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xea h THR 42 Cb 1.17 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1xea h THR 42 CO 0.11 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 176.05 1xea h LEU 43 N -0.35 0.41 -1.20 2.58 3.38 -1.01 -1.66 115.31 117.47 1xea h LEU 43 Ca -0.03 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 57.90 1xea h LEU 43 Cb 0.27 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1xea h LEU 43 CO 0.04 0.46 0.58 0.00 0.09 0.00 0.00 178.44 179.62 1xea h ALA 44 N 0.97 1.69 -0.16 1.53 0.00 -0.97 0.26 119.26 122.58 1xea h ALA 44 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xea h ALA 44 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xea h ALA 44 CO -0.01 0.09 -0.22 1.15 0.00 0.00 0.00 179.25 180.26 1xea h THR 45 N 0.83 1.35 -0.83 0.00 2.02 -0.76 -1.10 112.91 114.42 1xea h THR 45 Ca 0.44 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 66.19 1xea h THR 45 Cb 0.54 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.81 1xea h THR 45 CO -0.20 0.43 0.54 -0.09 0.37 0.00 0.00 175.52 176.56 1xea h ARG 46 N 0.07 1.10 -0.49 6.66 2.43 -0.33 -2.67 114.38 121.15 1xea h ARG 46 Ca 0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xea h ARG 46 Cb 0.79 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1xea h ARG 46 CO 0.05 0.74 0.00 0.66 -1.51 0.00 0.00 179.97 179.91 1xea n TYR 47 N -4.49 1.76 -3.64 2.20 4.02 -0.02 -5.00 117.16 111.99 1xea n TYR 47 Ca 0.09 -0.77 -0.31 0.00 -0.01 0.00 0.00 57.90 56.90 1xea n TYR 47 Cb 0.02 -0.45 0.02 0.00 -0.02 0.00 0.00 39.34 38.91 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 0.33 -1.68 -4.81 -0.72 1.74 -0.73 -4.99 116.66 105.80 1xea n ARG 48 Ca 0.26 1.02 -0.25 0.00 -0.77 0.00 0.00 57.85 58.11 1xea n ARG 48 Cb 1.11 -2.07 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 1xea n ARG 48 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1xea s VAL 49 N -2.28 1.36 -0.20 1.55 -7.23 -0.49 -5.05 120.40 108.06 1xea s VAL 49 Ca 0.17 -0.71 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 1xea s VAL 49 Cb -0.02 -1.15 -0.18 0.00 0.56 0.00 0.00 36.38 35.59 1xea s VAL 49 CO 0.87 0.39 0.19 0.28 -0.31 0.00 0.00 175.10 176.52 1xea h SER 50 N 5.96 0.00 -0.49 4.85 0.02 -1.88 -3.45 113.55 118.56 1xea h SER 50 Ca -0.35 -0.47 -0.06 0.00 -0.84 0.00 0.00 61.79 60.06 1xea h SER 50 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1xea h SER 50 CO 0.48 1.43 0.24 0.00 -1.14 0.00 0.00 176.83 177.84 1xea n ALA 51 N -3.42 0.40 -2.81 3.77 0.00 -1.26 -4.92 120.51 112.27 1xea n ALA 51 Ca -0.30 -1.33 -0.24 0.00 0.00 0.00 0.00 53.44 51.57 1xea n ALA 51 Cb 0.65 -3.26 -0.05 0.00 0.00 0.00 0.00 19.45 16.79 1xea n ALA 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xea s THR 52 N 14.34 4.47 -0.19 0.00 2.01 -1.26 -1.74 115.64 133.26 1xea s THR 52 Ca 0.94 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 1xea s THR 52 Cb -0.15 -3.36 0.13 0.00 0.01 0.00 0.00 72.50 69.13 1xea s THR 52 CO 0.11 -0.24 1.02 0.00 -0.69 0.00 0.00 174.62 174.82 1xea n THR 54 N 1.05 0.42 -3.75 0.00 -1.04 -1.26 -2.45 114.28 107.25 1xea n THR 54 Ca -0.11 -0.25 -0.36 0.00 -2.04 0.00 0.00 64.05 61.29 1xea n THR 54 Cb 0.57 -0.83 -0.11 0.00 -1.82 0.00 0.00 70.33 68.15 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 -3.89 5.74 0.00 8.00 -1.08 -1.26 -4.05 116.67 120.13 1xea s ASP 55 Ca -0.04 -0.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 1xea s ASP 55 Cb 0.02 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.45 1xea s ASP 55 CO 0.24 0.04 0.51 0.00 0.52 0.00 0.00 175.17 176.47 1xea n TYR 56 N 4.46 0.00 -0.03 -5.34 0.18 -1.26 -1.34 117.16 113.83 1xea n TYR 56 Ca -0.15 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.41 1xea n TYR 56 Cb 0.52 -0.10 -0.13 0.00 -0.38 0.00 0.00 39.34 39.24 1xea n TYR 56 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1xea n ARG 57 N -1.01 0.72 0.28 -3.48 1.74 -1.26 -4.02 116.66 109.62 1xea n ARG 57 Ca 0.00 0.29 0.17 0.00 -0.77 0.00 0.00 57.85 57.54 1xea n ARG 57 Cb 0.04 -1.68 0.93 0.00 -1.02 0.00 0.00 32.46 30.73 1xea n ARG 57 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1xea h ASP 58 N -0.10 0.00 -0.78 0.55 3.32 -1.63 -2.16 116.42 115.61 1xea h ASP 58 Ca -0.45 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.75 1xea h ASP 58 Cb 1.91 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.41 1xea h ASP 58 CO 0.01 0.00 0.52 0.58 -1.72 0.00 0.00 179.24 178.63 1xea h VAL 59 N 0.00 0.81 0.00 -1.35 2.07 -1.70 -0.14 116.25 115.94 1xea h VAL 59 Ca 0.00 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1xea h VAL 59 Cb 0.13 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1xea h VAL 59 CO 0.00 0.09 -0.10 -0.07 0.02 0.00 0.00 177.57 177.50 1xea h LEU 60 N 0.48 0.00 -0.91 2.57 3.38 -1.65 -3.10 115.31 116.07 1xea h LEU 60 Ca 0.38 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.48 1xea h LEU 60 Cb 0.81 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 1xea h LEU 60 CO -0.14 0.10 0.53 1.56 0.09 0.00 0.00 178.44 180.59 1xea h GLN 61 N 0.00 0.78 0.00 1.13 4.20 -1.22 -1.33 115.11 118.67 1xea h GLN 61 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xea h GLN 61 Cb 0.28 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1xea h GLN 61 CO 0.01 0.52 0.00 0.66 -0.67 0.00 0.00 178.83 179.35 1xea n TYR 62 N -4.74 0.00 -3.37 2.96 4.02 -1.17 -4.93 117.16 109.92 1xea n TYR 62 Ca 0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.89 1xea n TYR 62 Cb 0.38 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.75 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 0.93 -1.14 3.81 2.72 0.00 -0.50 -4.97 105.19 106.04 1xea n GLY 63 Ca 0.22 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 1xea n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xea s VAL 64 N -3.33 3.93 -0.63 1.61 -7.23 -1.26 -4.92 120.40 108.57 1xea s VAL 64 Ca 0.37 0.91 0.23 0.00 -1.81 0.00 0.00 61.98 61.68 1xea s VAL 64 Cb -0.08 -3.44 -0.08 0.00 0.56 0.00 0.00 36.38 33.34 1xea s VAL 64 CO 0.78 -0.54 1.09 0.47 -0.31 0.00 0.00 175.10 176.60 1xea n ASP 65 N -1.98 0.63 -3.60 4.85 8.00 0.18 -4.99 116.55 119.65 1xea n ASP 65 Ca 0.08 -0.15 -0.04 0.00 0.71 0.00 0.00 54.79 55.40 1xea n ASP 65 Cb 0.53 0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 42.27 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 -3.18 -2.09 0.00 2.24 0.00 -1.19 -4.22 121.76 113.31 1xea s ALA 66 Ca 0.04 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1xea s ALA 66 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1xea s ALA 66 CO 0.78 -0.63 0.00 1.33 0.00 0.00 0.00 175.76 177.24 1xea n VAL 67 N -0.12 0.00 -3.65 0.00 0.24 -1.06 -0.91 118.33 112.83 1xea n VAL 67 Ca -0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1xea n VAL 67 Cb 0.59 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.69 -0.83 0.00 1.34 1.01 0.13 -0.77 121.20 122.77 1xea s ILE 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1xea s ILE 69 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1xea s ILE 69 CO 0.00 0.00 0.87 1.41 0.00 0.00 0.00 174.94 177.22 1xea n HIS 70 N 5.26 0.00 -0.09 3.97 8.25 0.32 -2.62 115.22 130.31 1xea n HIS 70 Ca -0.13 -0.38 -0.12 0.00 -0.26 0.00 0.00 57.72 56.84 1xea n HIS 70 Cb 0.51 -0.04 0.11 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.38 -1.99 -1.04 -1.41 0.00 -1.23 -4.56 120.51 109.90 1xea n ALA 71 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 1xea n ALA 71 Cb 0.20 -0.05 0.14 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.04 1.66 0.31 0.00 0.00 -1.26 -4.91 121.76 115.52 1xea s ALA 72 Ca 0.25 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1xea s ALA 72 Cb -0.04 -3.30 0.50 0.00 0.00 0.00 0.00 23.12 20.28 1xea s ALA 72 CO 0.21 -2.34 1.87 1.15 0.00 0.00 0.00 175.76 176.65 1xea h THR 73 N -1.55 1.21 0.00 0.00 2.02 -1.93 -2.71 112.91 109.95 1xea h THR 73 Ca -0.46 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1xea h THR 73 Cb 1.26 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1xea h THR 73 CO 0.49 0.27 0.00 -0.90 0.37 0.00 0.00 175.52 175.76 1xea n ASP 74 N -4.30 0.00 0.00 4.18 5.68 -1.26 -2.30 116.55 118.55 1xea n ASP 74 Ca 0.03 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1xea n ASP 74 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1xea n ASP 74 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1xea n VAL 75 N -0.78 0.00 0.30 2.12 0.31 -1.03 -4.81 118.33 114.44 1xea n VAL 75 Ca 0.09 -0.39 -0.16 0.00 -0.01 0.00 0.00 64.34 63.86 1xea n VAL 75 Cb 0.04 1.10 -0.09 0.00 -0.91 0.00 0.00 33.84 33.98 1xea n VAL 75 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1xea h HIS 76 N 0.00 -1.20 -0.81 3.52 3.86 -1.41 -2.32 115.15 116.78 1xea h HIS 76 Ca 0.00 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 1xea h HIS 76 Cb 0.05 0.46 -0.15 0.00 1.06 0.00 0.00 27.41 28.82 1xea h HIS 76 CO 0.00 -0.61 -0.18 0.77 0.86 0.00 0.00 177.93 178.77 1xea h SER 77 N -0.94 -0.71 0.01 2.45 0.02 -1.79 0.65 113.55 113.24 1xea h SER 77 Ca -0.07 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1xea h SER 77 Cb 0.79 0.49 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1xea h SER 77 CO -0.00 -0.26 -0.01 0.74 -1.14 0.00 0.00 176.83 176.15 1xea h THR 78 N 0.01 0.00 -0.44 -2.27 2.02 -1.86 0.17 112.91 110.54 1xea h THR 78 Ca 0.40 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.67 1xea h THR 78 Cb 0.63 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.94 1xea h THR 78 CO -0.83 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 174.77 1xea h LEU 79 N -0.02 -0.77 0.09 2.58 3.38 -0.84 -1.03 115.31 118.69 1xea h LEU 79 Ca -0.00 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1xea h LEU 79 Cb 0.02 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1xea h LEU 79 CO 0.00 -0.25 -0.33 0.00 0.09 0.00 0.00 178.44 177.95 1xea h ALA 80 N 1.13 -0.84 -0.72 1.53 0.00 0.33 -2.37 119.26 118.32 1xea h ALA 80 Ca 0.21 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1xea h ALA 80 Cb 0.47 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1xea h ALA 80 CO -0.53 -0.92 0.05 0.00 0.00 0.00 0.00 179.25 177.85 1xea h ALA 81 N -0.94 0.79 -0.31 0.00 0.00 -0.68 0.55 119.26 118.66 1xea h ALA 81 Ca -0.01 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1xea h ALA 81 Cb 0.48 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1xea h ALA 81 CO -0.17 -0.40 -0.44 0.35 0.00 0.00 0.00 179.25 178.59 1xea h PHE 82 N 0.15 -1.29 0.00 0.00 3.57 -0.68 0.11 116.94 118.79 1xea h PHE 82 Ca 0.39 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.89 1xea h PHE 82 Cb 0.68 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1xea h PHE 82 CO -0.37 -0.46 -0.34 0.74 -2.23 0.00 0.00 178.31 175.65 1xea h PHE 83 N -0.40 0.00 -0.42 0.41 -1.00 -1.08 -2.66 116.94 111.80 1xea h PHE 83 Ca 0.11 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.79 1xea h PHE 83 Cb 0.60 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 1xea h PHE 83 CO -0.59 0.34 -0.13 -0.07 -1.61 0.00 0.00 178.31 176.25 1xea h LEU 84 N 0.00 0.75 -0.16 1.54 3.38 0.12 -1.25 115.31 119.68 1xea h LEU 84 Ca -0.00 -0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 1xea h LEU 84 Cb 1.10 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1xea h LEU 84 CO 0.04 0.90 -0.70 -0.74 0.09 0.00 0.00 178.44 178.03 1xea h HIS 85 N 0.68 1.01 0.00 1.13 2.76 -0.74 -2.64 115.15 117.37 1xea h HIS 85 Ca 0.11 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1xea h HIS 85 Cb 0.61 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1xea h HIS 85 CO 0.03 1.26 0.00 1.28 -1.30 0.00 0.00 177.93 179.20 1xea n LEU 86 N -4.00 0.00 -2.62 0.26 4.77 -1.01 -4.84 117.00 109.55 1xea n LEU 86 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1xea n LEU 86 Cb 0.71 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1xea n LEU 86 CO 0.51 -0.00 0.03 0.61 -1.33 0.00 0.00 177.39 177.21 1xea n GLY 87 N -0.42 -0.37 2.89 -0.72 0.00 -0.95 -5.06 105.19 100.56 1xea n GLY 87 Ca 0.07 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.25 0.52 -0.12 -0.61 1.01 -0.52 -5.04 121.20 113.20 1xea s ILE 88 Ca 0.24 -0.11 -0.37 0.00 0.00 0.00 0.00 60.65 60.41 1xea s ILE 88 Cb -0.03 -0.55 -0.15 0.00 0.01 0.00 0.00 42.46 41.75 1xea s ILE 88 CO 0.48 0.22 1.68 -2.65 0.00 0.00 0.00 174.94 174.66 1xea n PRO 89 N 4.05 1.48 -4.79 2.79 -0.02 -1.26 -4.40 135.00 132.85 1xea n PRO 89 Ca -0.25 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 1xea n PRO 89 Cb 0.51 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.78 3.29 -0.05 3.45 2.01 0.11 -2.55 115.64 124.68 1xea s THR 90 Ca 0.92 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.34 1xea s THR 90 Cb -0.92 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1xea s THR 90 CO 0.56 0.59 -0.25 0.12 -0.69 0.00 0.00 174.62 174.95 1xea s PHE 91 N -0.77 2.39 -0.03 4.92 5.36 0.05 -0.68 117.98 129.22 1xea s PHE 91 Ca 0.12 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.42 1xea s PHE 91 Cb -0.11 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.03 1xea s PHE 91 CO 0.01 -0.19 -0.01 0.08 -1.46 0.00 0.00 175.22 173.65 1xea s VAL 92 N -0.23 0.25 0.18 3.12 1.01 -0.21 0.22 120.40 124.74 1xea s VAL 92 Ca -0.02 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1xea s VAL 92 Cb -0.13 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.86 1xea s VAL 92 CO 0.03 0.15 1.16 -0.62 0.00 0.00 0.00 175.10 175.82 1xea s ASP 93 N 0.88 7.15 0.37 3.32 2.15 -1.08 -0.74 116.67 128.72 1xea s ASP 93 Ca -0.09 2.17 -0.26 0.00 0.43 0.00 0.00 52.55 54.80 1xea s ASP 93 Cb -0.13 -2.60 -0.12 0.00 -0.30 0.00 0.00 42.92 39.77 1xea s ASP 93 CO -0.01 -0.32 1.04 2.29 -0.17 0.00 0.00 175.17 178.00 1xea n LYS 94 N 2.49 1.45 -2.31 4.34 -0.00 -1.17 -4.35 118.16 118.61 1xea n LYS 94 Ca 0.04 0.51 -0.30 0.00 -0.00 0.00 0.00 58.31 58.57 1xea n LYS 94 Cb 0.45 -2.01 -0.00 0.00 -0.00 0.00 0.00 35.03 33.47 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 -1.83 3.63 0.22 -1.58 0.04 -1.26 -4.99 135.00 129.23 1xea s PRO 95 Ca 0.60 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 1xea s PRO 95 Cb -0.61 -2.23 0.20 0.00 0.04 0.00 0.00 34.50 31.91 1xea s PRO 95 CO 0.59 -0.35 1.75 1.25 0.04 0.00 0.00 177.00 180.28 1xea h LEU 96 N 0.16 0.99 -7.11 -3.56 5.85 -1.89 -3.47 115.31 106.29 1xea h LEU 96 Ca -0.46 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.20 1xea h LEU 96 Cb 1.19 -0.26 -0.14 0.00 0.37 0.00 0.00 40.66 41.82 1xea h LEU 96 CO 0.62 0.95 0.52 0.00 -0.34 0.00 0.00 178.44 180.19 1xea s ALA 97 N -5.29 -1.82 -1.67 1.25 0.00 -1.26 -4.51 121.76 108.45 1xea s ALA 97 Ca -0.11 0.91 0.17 0.00 0.00 0.00 0.00 51.96 52.92 1xea s ALA 97 Cb 0.15 0.42 0.93 0.00 0.00 0.00 0.00 23.12 24.62 1xea s ALA 97 CO 0.83 -0.74 1.47 0.00 0.00 0.00 0.00 175.76 177.32 1xea n ALA 98 N -0.27 2.01 -2.55 0.00 0.00 -1.26 -4.77 120.51 113.67 1xea n ALA 98 Ca -0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1xea n ALA 98 Cb 0.61 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.33 0.18 0.19 0.00 1.04 -1.26 -5.02 113.70 106.50 1xea s SER 99 Ca 0.20 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1xea s SER 99 Cb 0.12 0.29 0.09 0.00 0.10 0.00 0.00 66.02 66.62 1xea s SER 99 CO 0.23 -0.65 1.45 0.00 0.98 0.00 0.00 173.24 175.25 1xea h ALA 100 N 3.05 0.64 0.04 5.32 0.00 -1.86 -2.94 119.26 123.51 1xea h ALA 100 Ca -0.34 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 53.99 1xea h ALA 100 Cb 1.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1xea h ALA 100 CO 0.56 0.79 -0.27 0.37 0.00 0.00 0.00 179.25 180.69 1xea h GLN 101 N 0.22 -0.42 -0.79 0.00 5.75 -1.96 0.40 115.11 118.30 1xea h GLN 101 Ca -0.03 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1xea h GLN 101 Cb 1.30 0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.89 1xea h GLN 101 CO 0.12 -0.28 0.48 0.93 -2.65 0.00 0.00 178.83 177.43 1xea h GLU 102 N -0.44 0.86 0.06 1.69 5.08 -1.97 0.72 114.58 120.58 1xea h GLU 102 Ca 0.05 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1xea h GLU 102 Cb 0.50 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1xea h GLU 102 CO -0.21 0.57 -0.11 0.00 -1.00 0.00 0.00 179.01 178.26 1xea h GLU 104 N -0.22 0.75 0.67 0.00 5.08 0.50 -1.71 114.58 119.65 1xea h GLU 104 Ca 0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1xea h GLU 104 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xea h GLU 104 CO -0.07 0.50 -0.48 -0.91 -1.00 0.00 0.00 179.01 177.05 1xea h ASN 105 N 0.77 -1.25 -1.01 1.42 2.35 -0.28 0.36 115.58 117.94 1xea h ASN 105 Ca 0.28 0.08 0.22 0.00 -0.55 0.00 0.00 56.30 56.33 1xea h ASN 105 Cb 0.08 0.38 -0.12 0.00 0.05 0.00 0.00 38.32 38.72 1xea h ASN 105 CO -0.13 -0.70 0.61 -0.07 -1.65 0.00 0.00 177.43 175.48 1xea h LEU 106 N -1.09 0.72 -0.12 1.61 3.38 -0.68 0.32 115.31 119.45 1xea h LEU 106 Ca -0.09 0.12 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1xea h LEU 106 Cb 0.90 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.66 1xea h LEU 106 CO 0.04 0.18 -0.96 1.88 0.09 0.00 0.00 178.44 179.68 1xea h TYR 107 N 0.66 0.82 -0.35 1.13 -1.99 -1.08 -0.75 116.97 115.42 1xea h TYR 107 Ca 0.61 -0.43 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1xea h TYR 107 Cb 1.08 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1xea h TYR 107 CO -0.01 1.26 0.21 0.93 -0.00 0.00 0.00 178.16 180.55 1xea h GLU 108 N 0.32 0.47 -0.14 4.88 5.08 0.43 -1.34 114.58 124.28 1xea h GLU 108 Ca -0.09 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1xea h GLU 108 Cb 1.60 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1xea h GLU 108 CO 0.18 0.35 0.00 1.25 -1.00 0.00 0.00 179.01 179.79 1xea h LEU 109 N 0.45 -0.05 -1.69 1.33 5.85 -0.38 -2.35 115.31 118.47 1xea h LEU 109 Ca 0.12 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1xea h LEU 109 Cb -0.00 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1xea h LEU 109 CO -0.02 -0.01 0.22 0.00 -0.34 0.00 0.00 178.44 178.29 1xea h ALA 110 N 1.12 1.79 0.00 1.25 0.00 -0.88 -1.76 119.26 120.78 1xea h ALA 110 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1xea h ALA 110 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xea h ALA 110 CO -0.11 0.19 -0.44 0.93 0.00 0.00 0.00 179.25 179.81 1xea h GLU 111 N 0.42 0.00 -0.10 0.00 5.08 -0.72 -0.51 114.58 118.75 1xea h GLU 111 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1xea h GLU 111 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xea h GLU 111 CO -0.03 0.44 -0.10 0.87 -1.00 0.00 0.00 179.01 179.19 1xea h LYS 112 N 0.00 0.24 -0.08 2.33 1.57 -1.02 -3.07 116.57 116.55 1xea h LYS 112 Ca -0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1xea h LYS 112 Cb 0.80 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1xea h LYS 112 CO 0.06 0.67 0.00 0.72 -0.57 0.00 0.00 179.45 180.33 1xea n HIS 113 N -4.65 0.10 -3.92 -1.35 8.25 -1.11 -4.90 115.22 107.66 1xea n HIS 113 Ca -0.07 -0.05 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 1xea n HIS 113 Cb 0.33 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.32 -2.16 -4.14 4.41 8.25 -0.64 -4.90 115.22 115.71 1xea n HIS 114 Ca 0.11 0.85 -0.27 0.00 -0.26 0.00 0.00 57.72 58.15 1xea n HIS 114 Cb 0.13 -3.72 -0.07 0.00 1.12 0.00 0.00 29.99 27.46 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 -6.62 2.64 -0.02 -0.41 -1.52 -0.30 -4.92 119.66 108.51 1xea s GLN 115 Ca 0.66 -0.98 -0.19 0.00 -1.95 0.00 0.00 55.36 52.90 1xea s GLN 115 Cb -0.34 -2.50 -0.05 0.00 -0.22 0.00 0.00 33.01 29.90 1xea s GLN 115 CO 0.81 0.47 0.53 -1.25 -0.25 0.00 0.00 175.29 175.61 1xea s PRO 116 N -2.97 4.23 -0.28 2.91 0.04 -1.26 -4.55 135.00 133.11 1xea s PRO 116 Ca 0.29 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.97 1xea s PRO 116 Cb -0.10 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.19 1xea s PRO 116 CO 0.21 0.42 -0.04 -1.17 0.04 0.00 0.00 177.00 176.46 1xea s LEU 117 N -0.31 3.67 -0.17 -3.56 2.96 -1.26 -0.72 118.68 119.30 1xea s LEU 117 Ca 0.28 -1.62 -0.11 0.00 -0.22 0.00 0.00 54.13 52.46 1xea s LEU 117 Cb -0.17 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1xea s LEU 117 CO 0.15 -0.27 0.18 -0.47 -1.32 0.00 0.00 176.35 174.62 1xea s TYR 118 N 1.11 3.46 -0.13 5.38 5.04 0.15 -4.98 117.35 127.37 1xea s TYR 118 Ca -0.01 0.44 -0.06 0.00 -2.44 0.00 0.00 57.07 55.00 1xea s TYR 118 Cb -0.19 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 1xea s TYR 118 CO -0.07 0.36 0.10 0.08 -1.34 0.00 0.00 175.55 174.67 1xea s VAL 119 N 0.13 5.15 -0.99 3.14 1.01 -1.26 -1.04 120.40 126.54 1xea s VAL 119 Ca 0.11 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1xea s VAL 119 Cb -0.12 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.07 1xea s VAL 119 CO 0.01 0.57 1.40 -0.83 0.00 0.00 0.00 175.10 176.25 1xea s GLY 120 N -0.64 1.30 -0.73 4.51 0.00 0.08 -4.88 107.32 106.96 1xea s GLY 120 Ca 0.12 -2.24 0.03 0.00 0.00 0.00 0.00 44.72 42.63 1xea s GLY 120 CO 0.02 2.61 0.54 -1.36 0.00 0.00 0.00 173.10 174.92 1xea s PHE 121 N 4.79 3.62 0.46 1.90 0.40 -1.26 -3.07 117.98 124.82 1xea s PHE 121 Ca 0.44 -3.23 0.18 0.00 -0.60 0.00 0.00 56.93 53.71 1xea s PHE 121 Cb -0.01 -2.87 1.15 0.00 0.51 0.00 0.00 43.02 41.80 1xea s PHE 121 CO -0.08 -0.62 1.98 -2.95 0.70 0.00 0.00 175.22 174.25 1xea h ASN 122 N 5.70 0.25 0.00 1.36 -0.00 -1.90 -1.92 115.58 119.07 1xea h ASN 122 Ca 0.12 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1xea h ASN 122 Cb 0.79 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.06 1xea h ASN 122 CO 0.75 0.14 0.00 0.54 -0.00 0.00 0.00 177.43 178.86 1xea n ARG 123 N -4.45 0.33 0.00 4.14 1.74 -1.26 -0.91 116.66 116.25 1xea n ARG 123 Ca 0.10 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 1xea n ARG 123 Cb 0.46 -1.02 -0.07 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.52 1.63 -0.61 5.56 1.74 -0.72 -4.46 116.66 119.28 1xea n ARG 124 Ca 0.00 -0.21 0.06 0.00 -0.77 0.00 0.00 57.85 56.93 1xea n ARG 124 Cb 0.00 -1.28 0.19 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.06 0.00 -2.08 -1.55 8.25 -0.08 -4.75 115.22 113.95 1xea n HIS 125 Ca 0.04 -1.36 -0.42 0.00 -0.26 0.00 0.00 57.72 55.71 1xea n HIS 125 Cb 0.28 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.93 3.56 0.23 1.59 -1.09 -1.24 -4.14 121.20 117.17 1xea s ILE 126 Ca 0.37 0.55 -0.08 0.00 -2.23 0.00 0.00 60.65 59.25 1xea s ILE 126 Cb 0.36 -3.80 0.23 0.00 -1.58 0.00 0.00 42.46 37.67 1xea s ILE 126 CO -0.07 -0.54 1.66 1.55 -1.23 0.00 0.00 174.94 176.31 1xea h PRO 127 N 12.60 0.14 -0.11 2.79 0.13 -1.80 0.05 132.00 145.80 1xea h PRO 127 Ca -0.32 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1xea h PRO 127 Cb 1.15 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1xea h PRO 127 CO 1.06 0.09 -0.34 1.25 -0.23 0.00 0.00 178.00 179.83 1xea h LEU 128 N 0.15 0.23 0.17 1.56 5.85 -1.86 -2.28 115.31 119.13 1xea h LEU 128 Ca 0.37 -0.08 -0.29 0.00 0.84 0.00 0.00 57.88 58.71 1xea h LEU 128 Cb 0.63 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 41.62 1xea h LEU 128 CO -0.57 0.57 -1.25 1.88 -0.34 0.00 0.00 178.44 178.73 1xea h TYR 129 N 0.20 0.93 0.00 1.25 0.05 -1.53 -3.26 116.97 114.61 1xea h TYR 129 Ca 0.02 -0.63 -0.02 0.00 0.05 0.00 0.00 58.73 58.16 1xea h TYR 129 Cb 0.71 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1xea h TYR 129 CO 0.01 1.48 -0.08 -0.91 -1.05 0.00 0.00 178.16 177.60 1xea h ASN 130 N 0.12 0.00 -0.03 3.88 2.35 -1.06 0.99 115.58 121.83 1xea h ASN 130 Ca -0.21 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.39 1xea h ASN 130 Cb 1.96 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.32 1xea h ASN 130 CO 0.24 0.08 -0.49 -0.61 -1.65 0.00 0.00 177.43 175.00 1xea h GLN 131 N 0.00 0.59 0.04 0.81 4.15 -1.47 -3.35 115.11 115.89 1xea h GLN 131 Ca -0.00 -0.34 -0.38 0.00 0.77 0.00 0.00 58.65 58.70 1xea h GLN 131 Cb 0.67 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.34 1xea h GLN 131 CO 0.01 0.95 -2.25 0.72 -1.93 0.00 0.00 178.83 176.33 1xea n HIS 132 N -3.99 0.50 -3.48 3.99 8.25 -1.14 -4.80 115.22 114.56 1xea n HIS 132 Ca -0.03 0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 57.13 1xea n HIS 132 Cb 0.57 -1.06 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 1xea n HIS 132 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xea s LEU 133 N -6.86 5.94 0.43 2.41 1.43 0.33 -4.94 118.68 117.43 1xea s LEU 133 Ca -0.31 -2.12 0.09 0.00 -1.03 0.00 0.00 54.13 50.76 1xea s LEU 133 Cb 0.08 -2.07 0.93 0.00 0.03 0.00 0.00 46.19 45.16 1xea s LEU 133 CO 0.65 -0.68 2.06 0.77 0.23 0.00 0.00 176.35 179.39 1xea h SER 134 N 8.28 0.37 -0.72 2.29 4.64 -1.83 -1.64 113.55 124.93 1xea h SER 134 Ca -0.16 -0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1xea h SER 134 Cb 1.06 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 1xea h SER 134 CO 0.87 0.28 0.49 -0.33 -0.87 0.00 0.00 176.83 177.27 1xea h GLU 135 N 0.43 0.32 0.06 4.77 3.07 -1.92 0.19 114.58 121.50 1xea h GLU 135 Ca 0.11 -0.02 -0.28 0.00 -0.50 0.00 0.00 59.36 58.67 1xea h GLU 135 Cb -0.01 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1xea h GLU 135 CO -0.02 0.21 -1.15 -0.07 -1.40 0.00 0.00 179.01 176.58 1xea h LEU 136 N 0.33 0.90 0.12 1.33 3.38 -1.53 -0.07 115.31 119.76 1xea h LEU 136 Ca 0.35 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1xea h LEU 136 Cb 0.92 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xea h LEU 136 CO -0.10 1.58 -0.06 0.00 0.09 0.00 0.00 178.44 179.95 1xea h ALA 137 N 0.35 -0.16 0.00 1.53 0.00 -1.09 -2.75 119.26 117.14 1xea h ALA 137 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xea h ALA 137 Cb 1.81 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1xea h ALA 137 CO 0.22 -0.55 0.00 1.04 0.00 0.00 0.00 179.25 179.96 1xea n GLN 138 N -5.12 0.06 -3.07 0.00 6.02 0.52 -4.94 117.38 110.84 1xea n GLN 138 Ca -0.08 0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 1xea n GLN 138 Cb 0.12 -1.58 0.07 0.00 1.02 0.00 0.00 30.24 29.87 1xea n GLN 138 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xea n GLN 139 N -1.68 -4.98 -3.81 -1.09 6.02 -0.22 -5.04 117.38 106.57 1xea n GLN 139 Ca 0.06 0.64 -0.18 0.00 -0.01 0.00 0.00 57.00 57.50 1xea n GLN 139 Cb 0.32 -5.02 -0.06 0.00 1.02 0.00 0.00 30.24 26.50 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 -3.35 0.54 -0.09 -1.09 1.02 -0.21 -4.93 120.64 112.52 1xea n GLU 140 Ca -0.21 -2.64 -0.11 0.00 -0.02 0.00 0.00 57.16 54.18 1xea n GLU 140 Cb 0.63 1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 33.57 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 1.77 2.66 0.52 0.00 0.00 -1.26 -0.64 105.19 108.24 1xea n GLY 142 Ca -0.32 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 10.44 2.74 -1.66 4.61 0.00 -1.26 -4.94 120.51 130.44 1xea n ALA 143 Ca 0.00 -0.50 -0.48 0.00 0.00 0.00 0.00 53.44 52.46 1xea n ALA 143 Cb 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 0.21 3.36 0.06 0.00 4.77 0.18 -4.57 117.00 121.01 1xea n LEU 144 Ca 0.16 0.89 0.12 0.00 -0.03 0.00 0.00 56.01 57.15 1xea n LEU 144 Cb 0.41 -1.37 0.12 0.00 -2.33 0.00 0.00 43.42 40.24 1xea n LEU 144 CO 0.19 -0.13 0.22 0.54 -1.33 0.00 0.00 177.39 176.89 1xea n ARG 145 N 6.91 0.32 -3.61 3.23 5.12 0.14 -4.15 116.66 124.62 1xea n ARG 145 Ca 0.24 0.06 -0.06 0.00 -1.93 0.00 0.00 57.85 56.17 1xea n ARG 145 Cb 0.30 -1.67 -0.04 0.00 -1.16 0.00 0.00 32.46 29.89 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 -4.25 -0.18 -0.20 0.55 1.04 -1.01 -2.53 113.70 107.12 1xea s SER 146 Ca 0.05 0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 1xea s SER 146 Cb 0.13 0.16 0.09 0.00 0.10 0.00 0.00 66.02 66.50 1xea s SER 146 CO 0.75 -0.20 0.42 -0.22 0.98 0.00 0.00 173.24 174.97 1xea s LEU 147 N -1.35 -0.65 -0.16 2.42 2.96 -0.37 -0.77 118.68 120.76 1xea s LEU 147 Ca 0.05 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 1xea s LEU 147 Cb -0.01 1.35 0.02 0.00 0.50 0.00 0.00 46.19 48.05 1xea s LEU 147 CO -0.04 -0.23 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.95 1xea s ARG 148 N 2.61 2.97 -0.28 1.98 3.52 0.14 -1.70 118.95 128.19 1xea s ARG 148 Ca -0.01 -0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 54.72 1xea s ARG 148 Cb -0.12 -2.47 0.02 0.00 -1.56 0.00 0.00 34.95 30.81 1xea s ARG 148 CO -0.13 -0.11 0.02 -0.46 -0.81 0.00 0.00 175.30 173.81 1xea s TRP 149 N 1.05 3.13 -0.13 5.12 -0.11 0.03 -0.80 118.94 127.25 1xea s TRP 149 Ca -0.01 -1.30 -0.02 0.00 1.22 0.00 0.00 56.10 55.98 1xea s TRP 149 Cb -0.14 -2.17 -0.03 0.00 -1.50 0.00 0.00 33.47 29.63 1xea s TRP 149 CO -0.07 -0.66 -0.04 -1.21 -4.62 0.00 0.00 176.95 170.34 1xea s GLU 150 N 1.41 3.37 -0.25 5.86 2.02 0.53 -1.19 118.70 130.45 1xea s GLU 150 Ca 0.01 -0.52 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 1xea s GLU 150 Cb -0.17 -2.82 0.10 0.00 0.10 0.00 0.00 34.13 31.34 1xea s GLU 150 CO -0.00 0.39 0.17 0.21 0.02 0.00 0.00 175.26 176.05 1xea s LYS 151 N -0.06 0.19 0.23 1.61 2.20 -0.33 -0.67 119.74 122.91 1xea s LYS 151 Ca 0.01 -0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.45 1xea s LYS 151 Cb -0.13 -1.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.95 1xea s LYS 151 CO 0.03 -0.90 -0.01 -1.01 -0.36 0.00 0.00 175.35 173.09 1xea s HIS 152 N 2.19 2.73 0.12 4.03 3.76 0.07 -3.68 115.29 124.51 1xea s HIS 152 Ca 0.07 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1xea s HIS 152 Cb -0.16 -1.26 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1xea s HIS 152 CO -0.27 0.58 -0.12 1.03 -0.85 0.00 0.00 174.74 175.10 1xea s ARG 153 N -3.38 0.99 -0.22 1.40 1.81 -0.76 -2.32 118.95 116.47 1xea s ARG 153 Ca 0.29 -1.25 -0.12 0.00 -1.72 0.00 0.00 55.73 52.93 1xea s ARG 153 Cb -0.07 -0.77 -0.05 0.00 -0.45 0.00 0.00 34.95 33.61 1xea s ARG 153 CO 0.19 0.13 0.23 -1.58 -0.68 0.00 0.00 175.30 173.60 1xea s HIS 154 N -2.40 3.34 -0.97 -0.53 5.65 -1.26 -0.20 115.29 118.92 1xea s HIS 154 Ca 0.09 0.35 -0.13 0.00 0.25 0.00 0.00 55.06 55.63 1xea s HIS 154 Cb -0.03 -2.34 0.02 0.00 -1.18 0.00 0.00 32.58 29.04 1xea s HIS 154 CO 0.02 0.06 0.64 0.00 -0.65 0.00 0.00 174.74 174.81 1xea n ALA 155 N 4.29 -2.72 -2.94 1.58 0.00 -1.22 -4.91 120.51 114.59 1xea n ALA 155 Ca -0.13 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1xea n ALA 155 Cb 0.52 -1.54 0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.52 -0.75 -4.72 0.00 7.94 0.78 -5.02 117.00 111.71 1xea n LEU 156 Ca -0.23 -4.30 -0.29 0.00 -1.11 0.00 0.00 56.01 50.09 1xea n LEU 156 Cb 0.64 0.79 0.17 0.00 0.53 0.00 0.00 43.42 45.55 1xea n LEU 156 CO 0.67 2.15 0.67 -2.16 -1.11 0.00 0.00 177.39 177.62 1xea s PRO 157 N -1.08 0.54 0.13 1.96 0.04 -1.24 -4.82 135.00 130.52 1xea s PRO 157 Ca 0.30 0.33 -0.18 0.00 0.04 0.00 0.00 61.00 61.49 1xea s PRO 157 Cb 0.33 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 33.17 1xea s PRO 157 CO -0.06 -2.62 0.87 0.41 0.04 0.00 0.00 177.00 175.64 1xea n GLY 158 N -1.61 0.66 3.77 0.56 0.00 -1.04 -4.93 105.19 102.61 1xea n GLY 158 Ca 0.07 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.04 7.10 0.14 1.61 -4.77 -1.26 0.67 116.67 117.11 1xea s ASP 159 Ca 0.20 2.08 -0.23 0.00 -3.30 0.00 0.00 52.55 51.30 1xea s ASP 159 Cb -0.02 -2.60 -0.01 0.00 -1.09 0.00 0.00 42.92 39.19 1xea s ASP 159 CO 0.04 -0.25 1.25 -0.38 0.70 0.00 0.00 175.17 176.53 1xea n ILE 160 N 0.61 -0.53 0.00 2.11 5.41 -1.26 -1.38 119.36 124.31 1xea n ILE 160 Ca 0.02 1.95 -0.01 0.00 1.00 0.00 0.00 62.75 65.71 1xea n ILE 160 Cb 0.48 -2.44 -0.00 0.00 -0.71 0.00 0.00 39.64 36.96 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 -0.03 -0.41 0.38 2.47 -1.93 -0.42 114.38 114.43 1xea h ARG 161 Ca 0.16 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.96 1xea h ARG 161 Cb 0.36 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.60 1xea h ARG 161 CO -0.77 -0.02 -0.21 1.15 0.56 0.00 0.00 179.97 180.69 1xea h THR 162 N -0.03 0.40 -0.69 2.04 2.02 -1.86 0.89 112.91 115.67 1xea h THR 162 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1xea h THR 162 Cb 0.03 0.40 -0.11 0.00 -1.74 0.00 0.00 68.15 66.73 1xea h THR 162 CO -0.02 0.00 0.08 0.15 0.37 0.00 0.00 175.52 176.10 1xea h PHE 163 N -0.13 0.10 0.03 3.16 3.57 -1.05 0.19 116.94 122.81 1xea h PHE 163 Ca 0.20 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1xea h PHE 163 Cb 0.44 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1xea h PHE 163 CO -0.45 -0.15 -0.01 0.28 -2.23 0.00 0.00 178.31 175.75 1xea h VAL 164 N 0.18 0.51 -0.06 1.41 2.07 0.04 0.07 116.25 120.47 1xea h VAL 164 Ca 0.38 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1xea h VAL 164 Cb 0.64 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1xea h VAL 164 CO -0.55 0.17 -0.42 -0.26 0.02 0.00 0.00 177.57 176.53 1xea h PHE 165 N -1.00 0.16 -0.03 1.57 -1.00 -0.85 -1.42 116.94 114.37 1xea h PHE 165 Ca -0.00 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1xea h PHE 165 Cb 0.31 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1xea h PHE 165 CO 0.08 0.54 0.00 -0.25 -1.61 0.00 0.00 178.31 177.07 1xea n ASP 166 N -4.02 2.93 0.00 2.17 8.00 0.66 -4.24 116.55 122.05 1xea n ASP 166 Ca -0.02 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1xea n ASP 166 Cb 0.47 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 1.30 0.00 -0.18 -2.24 2.03 -1.11 -4.89 116.55 111.46 1xea n ASP 167 Ca 0.14 0.00 0.30 0.00 0.52 0.00 0.00 54.79 55.74 1xea n ASP 167 Cb 0.58 0.02 0.69 0.00 -0.72 0.00 0.00 41.12 41.69 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 -0.03 -0.67 3.57 -0.94 0.48 116.94 119.35 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 0.03 0.97 -2.23 0.00 0.00 178.31 177.08 1xea h ILE 169 N 0.00 0.48 0.37 1.41 2.10 -1.50 -0.27 117.51 120.10 1xea h ILE 169 Ca 0.45 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.37 1xea h ILE 169 Cb 2.10 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 38.80 1xea h ILE 169 CO -0.00 0.00 -0.18 0.45 -1.08 0.00 0.00 178.15 177.34 1xea h HIS 170 N 0.00 -0.46 -0.60 2.19 3.86 -0.33 -1.21 115.15 118.60 1xea h HIS 170 Ca 0.01 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1xea h HIS 170 Cb 0.08 0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1xea h HIS 170 CO 0.00 -0.28 0.24 -1.00 0.86 0.00 0.00 177.93 177.75 1xea h PRO 171 N -0.57 0.87 0.31 2.45 0.13 -1.66 -1.79 132.00 131.73 1xea h PRO 171 Ca -0.05 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1xea h PRO 171 Cb 0.38 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1xea h PRO 171 CO 0.08 0.71 -0.24 1.25 -0.23 0.00 0.00 178.00 179.56 1xea h LEU 172 N 0.86 -0.64 -0.28 1.56 5.85 -1.09 -2.50 115.31 119.07 1xea h LEU 172 Ca 0.20 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1xea h LEU 172 Cb 0.16 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1xea h LEU 172 CO -0.02 -0.37 0.13 -0.78 -0.34 0.00 0.00 178.44 177.06 1xea h ASP 173 N -0.56 0.37 -0.30 1.25 3.58 -1.13 -1.32 116.42 118.31 1xea h ASP 173 Ca -0.02 -0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.38 1xea h ASP 173 Cb 0.49 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1xea h ASP 173 CO -0.01 0.40 0.40 0.28 -2.88 0.00 0.00 179.24 177.43 1xea h SER 174 N 0.32 0.00 0.00 2.28 0.02 -1.19 0.40 113.55 115.38 1xea h SER 174 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1xea h SER 174 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xea h SER 174 CO -0.01 0.00 -1.82 0.52 -1.14 0.00 0.00 176.83 174.38 1xea n VAL 175 N -3.53 0.00 -0.78 2.27 0.31 -0.95 -4.75 118.33 110.89 1xea n VAL 175 Ca 0.05 -0.42 -0.29 0.00 -0.01 0.00 0.00 64.34 63.67 1xea n VAL 175 Cb 0.55 0.13 -0.04 0.00 -0.91 0.00 0.00 33.84 33.57 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 -2.13 3.24 -0.34 4.52 2.85 0.13 -4.57 115.26 118.97 1xea n ASN 176 Ca -0.03 -2.42 0.14 0.00 -0.11 0.00 0.00 54.58 52.16 1xea n ASN 176 Cb 0.50 -0.99 0.64 0.00 1.24 0.00 0.00 39.78 41.17 1xea n ASN 176 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1xea n LEU 177 N 5.78 1.05 -0.27 1.20 4.77 -1.26 -3.59 117.00 124.67 1xea n LEU 177 Ca 0.41 -0.35 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1xea n LEU 177 Cb 0.23 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1xea n LEU 177 CO 0.83 0.18 0.50 -1.54 -1.33 0.00 0.00 177.39 176.03 1xea n SER 178 N -0.18 2.18 -3.32 -1.43 3.41 -1.26 -4.27 113.62 108.75 1xea n SER 178 Ca 0.20 -1.81 -0.13 0.00 -0.26 0.00 0.00 58.87 56.87 1xea n SER 178 Cb 0.28 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.04 -1.54 -3.03 4.33 1.74 -1.24 -4.94 116.66 112.03 1xea n ARG 179 Ca 0.05 1.05 -0.41 0.00 -0.77 0.00 0.00 57.85 57.77 1xea n ARG 179 Cb 0.28 -4.99 -0.05 0.00 -1.02 0.00 0.00 32.46 26.68 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 -4.17 4.23 -0.12 5.56 2.00 -1.26 -4.94 119.66 120.96 1xea s GLN 180 Ca 0.20 0.76 0.18 0.00 -2.00 0.00 0.00 55.36 54.49 1xea s GLN 180 Cb -0.05 -3.59 0.27 0.00 0.80 0.00 0.00 33.01 30.45 1xea s GLN 180 CO 0.79 -0.30 1.14 0.00 -0.50 0.00 0.00 175.29 176.42 1xea n ASN 182 N -1.34 0.00 -0.81 0.00 2.04 -1.26 -4.29 115.26 109.60 1xea n ASN 182 Ca 0.15 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.36 1xea n ASN 182 Cb 0.64 0.00 0.21 0.00 -2.53 0.00 0.00 39.78 38.11 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 3.47 -4.70 -4.53 4.77 -1.26 -4.92 117.00 109.83 1xea n LEU 183 Ca 0.00 -2.49 -0.43 0.00 -0.03 0.00 0.00 56.01 53.06 1xea n LEU 183 Cb 0.00 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1xea n LEU 183 CO 0.00 0.71 1.39 0.47 -1.33 0.00 0.00 177.39 178.63 1xea n ASP 184 N 0.07 3.89 -3.35 -1.43 9.92 -1.26 -1.95 116.55 122.44 1xea n ASP 184 Ca 0.17 1.04 -0.22 0.00 -0.53 0.00 0.00 54.79 55.25 1xea n ASP 184 Cb 0.67 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.59 1xea n ASP 184 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xea n ASP 185 N 4.54 -2.95 -4.41 -2.24 8.00 -1.26 -4.92 116.55 113.31 1xea n ASP 185 Ca 0.17 -0.34 -0.32 0.00 0.71 0.00 0.00 54.79 55.01 1xea n ASP 185 Cb 0.35 -2.49 -0.14 0.00 -0.02 0.00 0.00 41.12 38.81 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 -6.30 2.46 -0.36 0.64 0.20 -0.82 -4.09 118.68 110.40 1xea s LEU 186 Ca 0.38 -0.35 -0.08 0.00 0.69 0.00 0.00 54.13 54.77 1xea s LEU 186 Cb -0.21 -1.46 0.04 0.00 -0.43 0.00 0.00 46.19 44.13 1xea s LEU 186 CO 0.46 0.32 0.16 -2.28 -0.29 0.00 0.00 176.35 174.72 1xea s HIS 187 N -0.73 3.27 -0.16 5.38 5.65 0.13 -4.99 115.29 123.84 1xea s HIS 187 Ca 0.12 -1.33 -0.08 0.00 0.25 0.00 0.00 55.06 54.02 1xea s HIS 187 Cb -0.10 -2.44 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 1xea s HIS 187 CO 0.01 -0.73 0.13 -1.17 -0.65 0.00 0.00 174.74 172.33 1xea s LEU 188 N 1.44 4.26 0.01 8.88 0.20 -1.26 -1.90 118.68 130.31 1xea s LEU 188 Ca 0.00 0.33 -0.00 0.00 0.69 0.00 0.00 54.13 55.15 1xea s LEU 188 Cb -0.20 -2.07 -0.01 0.00 -0.43 0.00 0.00 46.19 43.48 1xea s LEU 188 CO 0.04 0.29 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.49 1xea s THR 189 N -0.28 0.06 0.33 3.68 2.01 -0.10 -5.01 115.64 116.32 1xea s THR 189 Ca 0.11 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 1xea s THR 189 Cb -0.12 -0.15 0.05 0.00 0.01 0.00 0.00 72.50 72.29 1xea s THR 189 CO 0.01 -0.25 0.80 -0.72 -0.69 0.00 0.00 174.62 173.77 1xea s TYR 190 N -0.74 0.02 0.00 4.92 -0.85 -1.26 0.36 117.35 119.80 1xea s TYR 190 Ca -0.08 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 55.87 1xea s TYR 190 Cb -0.05 0.78 0.00 0.00 0.38 0.00 0.00 41.96 43.07 1xea s TYR 190 CO -0.00 -1.39 0.00 1.58 -1.52 0.00 0.00 175.55 174.22 1xea n HIS 191 N -0.52 -0.00 -3.64 -3.49 -0.00 -0.40 -4.98 115.22 102.18 1xea n HIS 191 Ca -0.07 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.07 1xea n HIS 191 Cb 0.60 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.40 1xea n HIS 191 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1xea s SER 193 N 1.30 -0.71 1.48 0.26 0.15 -0.06 -1.18 113.70 114.94 1xea s SER 193 Ca 0.00 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1xea s SER 193 Cb 0.00 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1xea s SER 193 CO 0.00 -0.18 0.00 1.21 1.20 0.00 0.00 173.24 175.47 1xea n GLU 194 N 3.99 0.00 -0.21 5.44 4.07 -1.26 -0.51 120.64 132.17 1xea n GLU 194 Ca -0.19 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 56.97 1xea n GLU 194 Cb 0.58 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 32.11 1xea n GLU 194 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xea n GLY 195 N 0.00 3.47 3.71 8.31 0.00 -1.26 -5.03 105.19 114.39 1xea n GLY 195 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.79 2.63 -0.21 0.99 1.43 0.33 -4.91 118.68 117.15 1xea s LEU 196 Ca 0.25 -1.47 -0.20 0.00 -1.03 0.00 0.00 54.13 51.69 1xea s LEU 196 Cb 0.18 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 1xea s LEU 196 CO 0.09 -0.67 0.61 -0.22 0.23 0.00 0.00 176.35 176.38 1xea s LEU 197 N -3.83 4.13 -0.19 1.79 0.20 0.21 -0.88 118.68 120.12 1xea s LEU 197 Ca 0.22 0.78 -0.15 0.00 0.69 0.00 0.00 54.13 55.68 1xea s LEU 197 Cb 0.05 -2.85 -0.08 0.00 -0.43 0.00 0.00 46.19 42.88 1xea s LEU 197 CO 0.12 -0.27 -0.18 0.00 -0.29 0.00 0.00 176.35 175.73 1xea n ALA 198 N 5.08 0.75 -2.86 5.97 0.00 -0.32 -2.49 120.51 126.65 1xea n ALA 198 Ca -0.02 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 1xea n ALA 198 Cb 0.50 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.50 0.37 -0.03 0.00 1.70 -1.19 -0.43 118.95 116.86 1xea s ARG 199 Ca -0.25 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 54.60 1xea s ARG 199 Cb 0.05 -0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1xea s ARG 199 CO 0.39 0.04 -0.11 -1.17 -1.08 0.00 0.00 175.30 173.37 1xea s LEU 200 N -0.88 1.78 -0.22 -1.89 2.96 -1.26 -1.27 118.68 117.90 1xea s LEU 200 Ca -0.06 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1xea s LEU 200 Cb -0.06 -0.64 0.07 0.00 0.50 0.00 0.00 46.19 46.06 1xea s LEU 200 CO -0.00 0.07 0.07 -1.81 -1.32 0.00 0.00 176.35 173.36 1xea s ASP 201 N 0.23 3.08 -0.19 3.68 1.01 0.16 -4.42 116.67 120.22 1xea s ASP 201 Ca -0.04 -0.98 -0.04 0.00 0.71 0.00 0.00 52.55 52.20 1xea s ASP 201 Cb -0.10 -0.54 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 1xea s ASP 201 CO 0.01 -0.35 -0.03 -0.69 0.21 0.00 0.00 175.17 174.33 1xea s VAL 202 N 1.90 3.77 -0.06 -1.27 1.01 -0.21 -0.92 120.40 124.63 1xea s VAL 202 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1xea s VAL 202 Cb -0.17 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1xea s VAL 202 CO -0.15 0.45 0.14 -1.58 0.00 0.00 0.00 175.10 173.96 1xea s GLN 203 N 0.87 0.12 0.19 2.72 0.74 -0.80 -0.24 119.66 123.26 1xea s GLN 203 Ca -0.00 0.27 -0.12 0.00 0.05 0.00 0.00 55.36 55.56 1xea s GLN 203 Cb -0.14 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 33.92 1xea s GLN 203 CO 0.02 -0.09 0.38 1.67 -0.55 0.00 0.00 175.29 176.72 1xea s TRP 204 N 0.59 0.27 -0.12 1.67 -2.14 -0.81 0.21 118.94 118.61 1xea s TRP 204 Ca -0.04 -0.63 0.03 0.00 2.66 0.00 0.00 56.10 58.12 1xea s TRP 204 Cb -0.06 0.10 0.01 0.00 -3.10 0.00 0.00 33.47 30.42 1xea s TRP 204 CO -0.03 -0.83 -0.21 -1.14 -2.66 0.00 0.00 176.95 172.08 1xea s GLN 205 N -3.96 2.88 -0.36 3.25 0.74 -1.26 -1.09 119.66 119.86 1xea s GLN 205 Ca 0.17 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1xea s GLN 205 Cb 0.01 -2.29 0.10 0.00 1.10 0.00 0.00 33.01 31.93 1xea s GLN 205 CO 0.02 0.03 0.10 0.99 -0.55 0.00 0.00 175.29 175.88 1xea s THR 206 N 0.71 2.75 0.00 -0.34 2.01 -0.16 -4.97 115.64 115.64 1xea s THR 206 Ca -0.10 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 59.77 1xea s THR 206 Cb -0.16 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1xea s THR 206 CO 0.01 -0.58 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 1xea n GLY 207 N 4.43 2.84 1.63 4.40 0.00 -1.26 -2.19 105.19 115.05 1xea n GLY 207 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 8.52 5.10 -4.18 1.61 8.00 -1.26 -4.92 116.55 129.42 1xea n ASP 208 Ca 0.00 -3.01 -0.30 0.00 0.71 0.00 0.00 54.79 52.18 1xea n ASP 208 Cb 0.00 -0.66 -0.17 0.00 -0.02 0.00 0.00 41.12 40.27 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 -2.83 1.84 -0.27 -3.53 2.01 -0.93 -4.35 115.64 107.58 1xea s THR 209 Ca 0.51 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1xea s THR 209 Cb 0.40 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1xea s THR 209 CO 0.13 0.51 0.10 -0.22 -0.69 0.00 0.00 174.62 174.45 1xea s LEU 210 N 0.40 3.70 -0.04 4.42 2.96 -1.05 -0.99 118.68 128.07 1xea s LEU 210 Ca -0.17 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 1xea s LEU 210 Cb -0.17 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1xea s LEU 210 CO 0.08 -0.10 0.18 -0.76 -1.32 0.00 0.00 176.35 174.43 1xea s LEU 211 N 1.61 4.38 -0.20 -0.68 1.43 -0.25 -1.23 118.68 123.74 1xea s LEU 211 Ca 0.05 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.49 1xea s LEU 211 Cb -0.16 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.70 1xea s LEU 211 CO 0.04 0.31 0.44 -2.28 0.23 0.00 0.00 176.35 175.09 1xea s HIS 212 N -1.22 -0.76 -0.16 0.29 2.46 -0.69 -1.92 115.29 113.28 1xea s HIS 212 Ca 0.23 1.50 -0.01 0.00 0.47 0.00 0.00 55.06 57.25 1xea s HIS 212 Cb -0.13 0.32 -0.00 0.00 -0.13 0.00 0.00 32.58 32.64 1xea s HIS 212 CO 0.13 -0.44 -0.13 0.00 -2.47 0.00 0.00 174.74 171.83 1xea s ALA 213 N 2.15 2.57 0.33 1.58 0.00 0.66 -0.79 121.76 128.27 1xea s ALA 213 Ca -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1xea s ALA 213 Cb -0.10 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1xea s ALA 213 CO -0.13 -0.08 0.10 0.45 0.00 0.00 0.00 175.76 176.10 1xea s SER 214 N 0.88 2.13 -0.30 0.00 0.15 -0.33 -1.04 113.70 115.18 1xea s SER 214 Ca -0.03 -1.49 -0.15 0.00 0.70 0.00 0.00 55.95 54.98 1xea s SER 214 Cb -0.15 0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.55 1xea s SER 214 CO -0.01 -0.77 1.16 0.21 1.20 0.00 0.00 173.24 175.03 1xea s ASN 216 N -3.47 -0.07 -0.01 5.45 3.84 -1.24 -1.19 114.94 118.25 1xea s ASN 216 Ca 0.33 -0.01 0.01 0.00 0.21 0.00 0.00 52.86 53.40 1xea s ASN 216 Cb 0.06 0.67 0.03 0.00 -0.55 0.00 0.00 41.25 41.46 1xea s ASN 216 CO 0.15 -0.01 0.71 0.54 -2.79 0.00 0.00 177.10 175.70 1xea n ARG 217 N 4.44 1.14 -2.61 0.43 1.74 0.42 -1.83 116.66 120.39 1xea n ARG 217 Ca 0.08 -0.13 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1xea n ARG 217 Cb 0.61 -1.36 0.04 0.00 -1.02 0.00 0.00 32.46 30.72 1xea n ARG 217 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xea n GLN 218 N -0.12 2.15 -2.71 5.56 6.02 -1.07 -0.16 117.38 127.05 1xea n GLN 218 Ca 0.01 -3.67 -0.26 0.00 -0.01 0.00 0.00 57.00 53.07 1xea n GLN 218 Cb 0.20 -1.73 0.01 0.00 1.02 0.00 0.00 30.24 29.74 1xea n GLN 218 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1xea s PHE 219 N -3.63 3.35 0.03 1.08 5.36 0.72 -4.73 117.98 120.16 1xea s PHE 219 Ca 0.34 0.55 0.31 0.00 -0.96 0.00 0.00 56.93 57.17 1xea s PHE 219 Cb 0.37 -2.42 1.50 0.00 -0.34 0.00 0.00 43.02 42.13 1xea s PHE 219 CO -0.02 -0.46 1.94 0.78 -1.46 0.00 0.00 175.22 176.00 1xea h GLY 220 N 0.18 0.00 -3.08 13.12 0.00 -1.91 -3.35 103.07 108.03 1xea h GLY 220 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1xea h GLY 220 CO 0.60 0.00 0.15 -1.50 0.00 0.00 0.00 176.54 175.79 1xea s ILE 221 N -3.68 0.02 -0.33 2.60 2.07 -1.26 -4.92 121.20 115.69 1xea s ILE 221 Ca -0.01 -0.13 -0.18 0.00 -1.41 0.00 0.00 60.65 58.93 1xea s ILE 221 Cb 0.09 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 1xea s ILE 221 CO 0.38 -0.07 0.53 -0.89 -1.91 0.00 0.00 174.94 172.98 1xea s THR 222 N -3.62 5.01 0.28 4.00 2.01 -1.26 -4.15 115.64 117.92 1xea s THR 222 Ca 0.01 0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.33 1xea s THR 222 Cb -0.00 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1xea s THR 222 CO -0.12 -0.16 0.65 0.42 -0.69 0.00 0.00 174.62 174.73 1xea s THR 223 N 2.41 0.00 -0.09 -0.82 -4.23 -0.98 -4.98 115.64 106.96 1xea s THR 223 Ca 0.20 -1.14 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1xea s THR 223 Cb -0.15 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1xea s THR 223 CO 0.13 0.00 0.14 -0.70 -0.54 0.00 0.00 174.62 173.64 1xea s GLU 224 N -3.78 0.02 -0.09 3.99 2.12 -1.26 -0.75 118.70 118.95 1xea s GLU 224 Ca 0.15 0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.99 1xea s GLU 224 Cb -0.04 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 1xea s GLU 224 CO 0.08 -0.35 -0.23 -1.01 -0.54 0.00 0.00 175.26 173.21 1xea s HIS 225 N 2.26 2.56 -0.12 5.30 3.76 0.16 -3.91 115.29 125.30 1xea s HIS 225 Ca 0.04 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.08 1xea s HIS 225 Cb -0.12 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 1xea s HIS 225 CO -0.06 -0.32 -0.17 0.08 -0.85 0.00 0.00 174.74 173.42 1xea s VAL 226 N 0.16 2.67 -0.10 -0.90 1.01 -0.34 -0.34 120.40 122.56 1xea s VAL 226 Ca -0.13 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1xea s VAL 226 Cb -0.16 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1xea s VAL 226 CO 0.07 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1xea s THR 227 N 0.34 1.48 0.01 3.92 2.01 0.02 0.00 115.64 123.43 1xea s THR 227 Ca -0.14 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1xea s THR 227 Cb -0.17 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1xea s THR 227 CO 0.07 0.44 -0.18 0.00 -0.69 0.00 0.00 174.62 174.26 1xea s ALA 228 N 0.92 1.50 0.02 7.40 0.00 -0.49 0.28 121.76 131.38 1xea s ALA 228 Ca -0.08 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1xea s ALA 228 Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1xea s ALA 228 CO -0.00 0.35 -0.05 -1.54 0.00 0.00 0.00 175.76 174.52 1xea s SER 229 N -0.74 0.49 0.00 0.00 1.04 0.05 -1.14 113.70 113.40 1xea s SER 229 Ca 0.06 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1xea s SER 229 Cb -0.07 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1xea s SER 229 CO 0.00 -0.12 0.00 -1.22 0.98 0.00 0.00 173.24 172.89 1xea n TYR 230 N 2.20 0.00 -2.77 5.02 4.02 0.96 0.28 117.16 126.86 1xea n TYR 230 Ca -0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.28 1xea n TYR 230 Cb 0.57 0.00 -0.03 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 0.52 6.92 -2.14 7.72 1.01 -1.26 -3.63 116.67 125.82 1xea s ASP 231 Ca 0.00 1.11 0.00 0.00 0.71 0.00 0.00 52.55 54.37 1xea s ASP 231 Cb 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1xea s ASP 231 CO 0.00 -0.65 0.00 0.59 0.21 0.00 0.00 175.17 175.32 1xea n ASN 232 N 6.29 -5.40 -3.83 0.27 3.02 -1.26 -4.94 115.26 109.41 1xea n ASN 232 Ca 0.09 0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 55.01 1xea n ASN 232 Cb 0.47 -4.75 -0.13 0.00 -0.61 0.00 0.00 39.78 34.76 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 -2.71 -0.00 0.13 2.41 1.01 -1.24 -4.27 120.40 115.74 1xea s VAL 233 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1xea s VAL 233 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1xea s VAL 233 CO 0.00 0.00 0.28 0.00 0.00 0.00 0.00 175.10 175.38 1xea s ALA 234 N 0.06 -0.28 -0.00 5.51 0.00 -0.74 -0.03 121.76 126.28 1xea s ALA 234 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 1xea s ALA 234 Cb -0.01 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1xea s ALA 234 CO 0.00 -0.61 0.12 0.71 0.00 0.00 0.00 175.76 175.98 1xea s TYR 235 N -3.90 0.04 -0.23 0.00 1.51 -0.29 -1.40 117.35 113.09 1xea s TYR 235 Ca 0.10 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1xea s TYR 235 Cb 0.03 -0.05 0.11 0.00 -0.11 0.00 0.00 41.96 41.94 1xea s TYR 235 CO -0.06 -0.25 0.24 -1.17 -1.11 0.00 0.00 175.55 173.20 1xea s LEU 236 N -1.20 -0.11 -0.23 -1.29 0.20 -0.55 -1.40 118.68 114.10 1xea s LEU 236 Ca -0.13 -0.43 -0.12 0.00 0.69 0.00 0.00 54.13 54.14 1xea s LEU 236 Cb -0.07 0.38 -0.05 0.00 -0.43 0.00 0.00 46.19 46.02 1xea s LEU 236 CO 0.01 -0.35 0.24 -0.36 -0.29 0.00 0.00 176.35 175.60 1xea s PHE 237 N 2.32 3.32 -2.61 5.38 0.40 0.10 -1.72 117.98 125.18 1xea s PHE 237 Ca 0.08 0.34 0.27 0.00 -0.60 0.00 0.00 56.93 57.02 1xea s PHE 237 Cb -0.15 -2.37 0.86 0.00 0.51 0.00 0.00 43.02 41.87 1xea s PHE 237 CO -0.19 0.01 1.64 -0.40 0.70 0.00 0.00 175.22 176.97 1xea n ASP 238 N 4.47 1.83 -1.01 1.36 5.75 -1.17 -1.19 116.55 126.59 1xea n ASP 238 Ca -0.13 -1.61 -0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1xea n ASP 238 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.43 -0.01 -0.24 -1.12 3.41 -1.22 -4.55 113.62 110.31 1xea n SER 239 Ca 0.18 -1.00 0.13 0.00 -0.26 0.00 0.00 58.87 57.91 1xea n SER 239 Cb 0.41 0.01 0.36 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.01 7.33 0.99 -1.26 -4.28 117.46 120.22 1xea n PHE 240 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 1xea n PHE 240 Cb 0.00 -0.12 -0.05 0.00 -1.00 0.00 0.00 39.48 38.31 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 -0.67 0.17 -4.28 4.37 -2.24 -1.26 -4.54 114.28 105.83 1xea n THR 241 Ca 0.12 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1xea n THR 241 Cb 0.35 -0.17 -0.12 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 -2.29 1.11 0.03 -0.78 -0.21 -1.26 -0.29 119.66 115.96 1xea s GLN 242 Ca -0.02 -1.20 -0.28 0.00 0.02 0.00 0.00 55.36 53.87 1xea s GLN 242 Cb 0.03 -1.25 0.09 0.00 1.00 0.00 0.00 33.01 32.88 1xea s GLN 242 CO 0.24 0.28 0.98 0.20 -2.12 0.00 0.00 175.29 174.87 1xea s GLY 243 N -2.13 -0.37 0.00 3.09 0.00 -0.11 -3.02 107.32 104.79 1xea s GLY 243 Ca 0.08 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.55 1xea s GLY 243 CO 0.04 0.23 0.00 0.58 0.00 0.00 0.00 173.10 173.95 1xea n LYS 244 N -0.33 3.30 -3.25 2.90 2.85 -0.70 -0.18 118.16 122.77 1xea n LYS 244 Ca -0.07 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.23 1xea n LYS 244 Cb 0.61 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.97 1xea n LYS 244 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1xea s TRP 246 N 0.38 -0.81 -0.11 5.58 0.51 -0.49 -1.48 118.94 122.52 1xea s TRP 246 Ca 0.00 1.03 -0.10 0.00 -2.12 0.00 0.00 56.10 54.91 1xea s TRP 246 Cb 0.00 0.35 0.03 0.00 -0.81 0.00 0.00 33.47 33.04 1xea s TRP 246 CO 0.00 -0.43 0.29 0.50 -0.51 0.00 0.00 176.95 176.81 1xea s ARG 247 N 2.76 0.33 -1.46 4.98 3.52 -0.29 -1.80 118.95 127.00 1xea s ARG 247 Ca 0.03 0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 55.96 1xea s ARG 247 Cb -0.10 0.14 0.04 0.00 -1.56 0.00 0.00 34.95 33.47 1xea s ARG 247 CO -0.15 -0.05 0.78 -0.25 -0.81 0.00 0.00 175.30 174.81 1xea n ASP 248 N 3.07 -5.26 -3.17 -2.12 8.00 -1.26 -0.95 116.55 114.85 1xea n ASP 248 Ca -0.14 -0.49 -0.23 0.00 0.71 0.00 0.00 54.79 54.64 1xea n ASP 248 Cb 0.57 -4.23 0.03 0.00 -0.02 0.00 0.00 41.12 37.48 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 -2.63 -5.60 -4.18 -2.24 5.15 -1.26 -4.97 115.26 99.52 1xea n ASN 249 Ca -0.03 -0.35 -0.16 0.00 -0.60 0.00 0.00 54.58 53.45 1xea n ASN 249 Cb 0.57 -4.53 -0.11 0.00 -0.53 0.00 0.00 39.78 35.17 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 -5.85 0.84 -0.14 1.20 -0.21 -0.13 -5.13 119.66 110.24 1xea s GLN 250 Ca 0.36 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1xea s GLN 250 Cb -0.17 -0.65 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 1xea s GLN 250 CO 0.45 0.12 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.59 1xea s GLU 251 N -2.41 3.28 0.14 2.91 2.12 -1.26 -1.14 118.70 122.34 1xea s GLU 251 Ca 0.03 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1xea s GLU 251 Cb -0.06 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1xea s GLU 251 CO 0.01 0.12 -0.11 -1.54 -0.54 0.00 0.00 175.26 173.20 1xea s SER 252 N 0.58 1.79 -0.04 -1.70 1.04 -1.26 -5.01 113.70 109.09 1xea s SER 252 Ca -0.09 -0.95 -0.16 0.00 0.48 0.00 0.00 55.95 55.23 1xea s SER 252 Cb -0.16 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1xea s SER 252 CO 0.03 -0.29 0.43 -0.60 0.98 0.00 0.00 173.24 173.80 1xea s ARG 253 N -3.44 4.09 -0.12 4.02 3.52 -1.26 -4.41 118.95 121.35 1xea s ARG 253 Ca 0.14 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 56.18 1xea s ARG 253 Cb 0.01 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1xea s ARG 253 CO 0.01 0.50 -0.16 0.14 -0.81 0.00 0.00 175.30 174.98 1xea s VAL 254 N -0.47 1.60 0.16 7.11 -7.23 0.75 -4.98 120.40 117.33 1xea s VAL 254 Ca 0.24 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1xea s VAL 254 Cb -0.16 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1xea s VAL 254 CO 0.12 0.46 0.03 0.00 -0.31 0.00 0.00 175.10 175.41 1xea s ALA 255 N 1.08 1.14 0.30 1.32 0.00 -1.26 -0.94 121.76 123.40 1xea s ALA 255 Ca -0.04 -1.55 -0.28 0.00 0.00 0.00 0.00 51.96 50.09 1xea s ALA 255 Cb -0.14 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.61 1xea s ALA 255 CO -0.04 -0.41 1.01 -1.17 0.00 0.00 0.00 175.76 175.16 1xea s LEU 256 N -3.12 4.46 0.57 0.00 2.96 0.60 -4.99 118.68 119.16 1xea s LEU 256 Ca 0.25 2.05 -0.19 0.00 -0.22 0.00 0.00 54.13 56.02 1xea s LEU 256 Cb 0.07 -3.81 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1xea s LEU 256 CO 0.03 -0.11 0.88 1.17 -1.32 0.00 0.00 176.35 177.00 1xea n LYS 257 N 0.90 0.87 -1.65 1.98 4.81 -1.26 -4.94 118.16 118.87 1xea n LYS 257 Ca 0.00 0.33 -0.32 0.00 -0.87 0.00 0.00 58.31 57.46 1xea n LYS 257 Cb 0.47 -2.06 0.05 0.00 0.02 0.00 0.00 35.03 33.51 1xea n LYS 257 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xea s ASP 258 N -1.17 5.21 -1.40 3.14 2.15 -1.26 -3.61 116.67 119.72 1xea s ASP 258 Ca 0.73 1.79 0.00 0.00 0.43 0.00 0.00 52.55 55.50 1xea s ASP 258 Cb -0.44 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.66 1xea s ASP 258 CO 0.50 -1.56 0.00 0.79 -0.17 0.00 0.00 175.17 174.73 1xea n TRP 259 N -2.82 -0.31 -3.03 -5.34 7.02 -1.26 -4.99 117.44 106.71 1xea n TRP 259 Ca 0.09 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.17 1xea n TRP 259 Cb 0.53 -2.79 -0.05 0.00 -2.42 0.00 0.00 31.31 26.58 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 -2.62 5.00 0.00 -0.99 2.01 -1.24 -5.18 115.64 112.62 1xea s THR 260 Ca 0.00 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.41 1xea s THR 260 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1xea s THR 260 CO 0.00 0.15 0.00 -0.81 -0.69 0.00 0.00 174.62 173.27 1xea n PRO 261 N 4.52 2.68 0.00 4.92 -0.04 -1.26 -4.80 135.00 141.01 1xea n PRO 261 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xea n PRO 261 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.28 1.53 4.77 -1.26 -1.44 117.00 120.32 1xea n LEU 263 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1xea n LEU 263 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1xea n LEU 263 CO 0.00 0.00 1.13 0.00 -1.33 0.00 0.00 177.39 177.19 1xea h ALA 264 N 0.00 0.98 -0.07 -1.18 0.00 -1.94 -0.97 119.26 116.08 1xea h ALA 264 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xea h ALA 264 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xea h ALA 264 CO 0.00 0.48 -0.11 0.66 0.00 0.00 0.00 179.25 180.28 1xea h SER 265 N 1.06 0.09 -0.11 0.00 4.64 -1.56 0.70 113.55 118.37 1xea h SER 265 Ca 0.27 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1xea h SER 265 Cb 0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xea h SER 265 CO -0.04 0.23 0.00 0.29 -0.87 0.00 0.00 176.83 176.43 1xea n LYS 266 N -4.35 1.62 -0.92 4.77 5.02 -0.41 -4.41 118.16 119.48 1xea n LYS 266 Ca -0.02 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1xea n LYS 266 Cb 0.22 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.25 0.21 0.06 0.72 0.00 0.24 -4.67 105.19 102.00 1xea n GLY 267 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.04 -0.72 1.61 -1.00 -1.59 -3.09 116.94 112.12 1xea h PHE 268 Ca 0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1xea h PHE 268 Cb 0.50 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.01 1xea h PHE 268 CO 0.31 0.25 0.38 -0.44 -1.61 0.00 0.00 178.31 177.21 1xea h ASP 269 N -0.33 0.54 0.00 2.17 3.45 -1.81 0.08 116.42 120.51 1xea h ASP 269 Ca -0.00 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1xea h ASP 269 Cb 0.31 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1xea h ASP 269 CO 0.01 0.33 0.00 0.00 -1.57 0.00 0.00 179.24 178.00 1xea n ALA 270 N -2.38 1.34 0.00 3.45 0.00 -1.17 -1.82 120.51 119.93 1xea n ALA 270 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xea n ALA 270 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.55 0.00 0.39 0.00 0.31 0.01 -2.30 118.33 117.29 1xea n VAL 272 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1xea n VAL 272 Cb 0.05 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.89 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 -1.00 -0.59 5.55 5.75 -1.60 0.70 115.11 123.92 1xea h GLN 273 Ca 0.00 0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 1xea h GLN 273 Cb 0.00 0.23 -0.07 0.00 1.07 0.00 0.00 27.48 28.71 1xea h GLN 273 CO 0.00 -0.67 0.24 0.22 -2.65 0.00 0.00 178.83 175.97 1xea h ASP 274 N -1.04 0.27 -0.04 -0.69 3.58 -1.75 -1.58 116.42 115.17 1xea h ASP 274 Ca -0.09 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.46 1xea h ASP 274 Cb 0.83 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 1xea h ASP 274 CO 0.11 0.17 -0.19 -0.25 -2.88 0.00 0.00 179.24 176.20 1xea h TRP 275 N 0.44 -0.49 -0.74 0.28 -0.00 -1.79 -1.09 115.95 112.55 1xea h TRP 275 Ca 0.29 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.21 1xea h TRP 275 Cb 0.32 0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.67 1xea h TRP 275 CO -0.15 -0.27 0.49 -0.07 -0.00 0.00 0.00 178.44 178.44 1xea h LEU 276 N -0.28 0.84 -0.16 0.65 3.38 -0.29 0.11 115.31 119.57 1xea h LEU 276 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xea h LEU 276 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1xea h LEU 276 CO -0.21 0.61 0.04 1.56 0.09 0.00 0.00 178.44 180.53 1xea h GLN 277 N 0.99 0.11 0.01 1.13 4.20 -0.96 0.21 115.11 120.80 1xea h GLN 277 Ca 0.28 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1xea h GLN 277 Cb -0.10 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1xea h GLN 277 CO -0.07 0.07 -0.16 0.28 -0.67 0.00 0.00 178.83 178.28 1xea h VAL 278 N 0.11 0.61 -0.51 -0.54 2.07 -0.69 -0.76 116.25 116.55 1xea h VAL 278 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1xea h VAL 278 Cb 0.05 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1xea h VAL 278 CO -0.08 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.73 1xea h ALA 279 N 0.66 0.64 0.00 1.67 0.00 -0.37 0.87 119.26 122.73 1xea h ALA 279 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xea h ALA 279 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xea h ALA 279 CO -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1xea n ALA 280 N -2.38 1.85 0.54 0.00 0.00 0.69 -2.45 120.51 118.76 1xea n ALA 280 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1xea n ALA 280 Cb 0.17 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1xea n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xea n ALA 281 N -1.49 2.85 -1.88 0.00 0.00 -0.31 -4.97 120.51 114.71 1xea n ALA 281 Ca 0.05 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1xea n ALA 281 Cb 0.21 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 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 0.93 0.30 2.95 0.00 0.00 0.15 -4.91 105.19 104.61 1xea n GLY 282 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.99 0.21 -0.16 1.61 1.02 -1.14 -4.42 119.74 112.87 1xea s LYS 283 Ca 0.00 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.63 1xea s LYS 283 Cb 0.00 0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1xea s LYS 283 CO 0.00 -0.04 0.04 -1.17 -0.92 0.00 0.00 175.35 173.27 1xea s LEU 284 N -0.85 0.86 0.22 3.17 2.96 -1.26 -4.58 118.68 119.19 1xea s LEU 284 Ca -0.09 -0.62 -0.27 0.00 -0.22 0.00 0.00 54.13 52.93 1xea s LEU 284 Cb -0.06 -0.48 -0.17 0.00 0.50 0.00 0.00 46.19 45.99 1xea s LEU 284 CO -0.00 -0.29 0.47 -0.81 -1.32 0.00 0.00 176.35 174.39 1xea n PRO 285 N 5.13 0.00 -0.07 0.98 -0.04 -1.26 -4.77 135.00 134.96 1xea n PRO 285 Ca -0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 1xea n PRO 285 Cb 0.48 -0.98 -0.01 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 0.92 0.92 -0.07 0.52 2.02 -2.00 -2.49 112.91 112.73 1xea h THR 286 Ca -0.28 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1xea h THR 286 Cb 1.42 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1xea h THR 286 CO 0.55 0.04 0.15 1.12 0.37 0.00 0.00 175.52 177.74 1xea h HIS 287 N 0.20 0.00 0.10 3.16 2.07 -2.00 -1.83 115.15 116.85 1xea h HIS 287 Ca 0.12 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.63 1xea h HIS 287 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 1xea h HIS 287 CO -0.14 0.00 -0.05 0.82 -3.07 0.00 0.00 177.93 175.50 1xea h ILE 288 N 0.00 0.81 -0.49 6.12 2.04 -1.79 -2.88 117.51 121.33 1xea h ILE 288 Ca 0.03 -1.34 0.10 0.00 1.00 0.00 0.00 64.86 64.65 1xea h ILE 288 Cb 0.33 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 1xea h ILE 288 CO -0.00 0.24 -0.14 0.40 0.00 0.00 0.00 178.15 178.65 1xea h ILE 289 N -0.94 0.48 -0.93 -0.67 2.04 -1.32 0.62 117.51 116.78 1xea h ILE 289 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1xea h ILE 289 Cb 0.50 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 1xea h ILE 289 CO 0.02 0.00 0.60 -0.33 0.00 0.00 0.00 178.15 178.44 1xea h GLU 290 N -0.02 0.89 -0.38 2.37 5.08 -1.46 0.73 114.58 121.78 1xea h GLU 290 Ca 0.24 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1xea h GLU 290 Cb 0.38 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xea h GLU 290 CO -0.52 0.59 -0.30 -0.09 -1.00 0.00 0.00 179.01 177.69 1xea h ARG 291 N 0.91 0.88 0.37 2.33 2.43 -0.86 0.11 114.38 120.55 1xea h ARG 291 Ca 0.44 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xea h ARG 291 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1xea h ARG 291 CO -0.21 1.08 -0.23 -0.91 -1.51 0.00 0.00 179.97 178.19 1xea h ASN 292 N 0.69 -0.58 0.19 -3.80 2.35 0.66 0.09 115.58 115.19 1xea h ASN 292 Ca 0.07 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1xea h ASN 292 Cb 0.88 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 1xea h ASN 292 CO 0.08 -0.37 -0.33 -0.07 -1.65 0.00 0.00 177.43 175.09 1xea h LEU 293 N -0.58 -0.93 -0.60 1.61 3.38 -0.89 -2.10 115.31 115.21 1xea h LEU 293 Ca -0.04 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.15 1xea h LEU 293 Cb 0.48 0.34 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 1xea h LEU 293 CO 0.04 -0.43 -0.05 0.00 0.09 0.00 0.00 178.44 178.08 1xea h ALA 294 N -0.01 0.52 -0.68 1.53 0.00 -0.81 0.64 119.26 120.45 1xea h ALA 294 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xea h ALA 294 Cb 0.60 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1xea h ALA 294 CO -0.15 -0.41 0.33 0.77 0.00 0.00 0.00 179.25 179.80 1xea h SER 295 N 0.07 0.87 0.60 0.00 0.02 -0.64 0.42 113.55 114.89 1xea h SER 295 Ca 0.31 -0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.95 1xea h SER 295 Cb 0.49 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1xea h SER 295 CO -0.55 0.73 -0.99 0.45 -1.14 0.00 0.00 176.83 175.34 1xea h HIS 296 N 0.97 0.35 -0.36 3.45 -0.00 -0.55 -1.54 115.15 117.47 1xea h HIS 296 Ca 0.24 -0.22 -0.12 0.00 -0.00 0.00 0.00 60.37 60.27 1xea h HIS 296 Cb 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1xea h HIS 296 CO 0.01 1.07 -0.27 1.96 -0.00 0.00 0.00 177.93 180.70 1xea h GLN 297 N 0.11 0.75 -0.44 2.45 4.20 0.87 -1.52 115.11 121.53 1xea h GLN 297 Ca -0.07 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 1xea h GLN 297 Cb 1.65 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 1xea h GLN 297 CO 0.15 0.94 -0.01 1.25 -0.67 0.00 0.00 178.83 180.50 1xea h LEU 298 N 0.65 0.77 -0.85 1.46 6.46 -0.16 -1.79 115.31 121.84 1xea h LEU 298 Ca 0.08 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1xea h LEU 298 Cb 0.79 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1xea h LEU 298 CO 0.07 0.89 0.55 0.00 -0.62 0.00 0.00 178.44 179.33 1xea h ALA 299 N 0.90 1.11 0.19 1.25 0.00 -1.06 0.44 119.26 122.09 1xea h ALA 299 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xea h ALA 299 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xea h ALA 299 CO 0.02 0.41 -0.18 0.93 0.00 0.00 0.00 179.25 180.44 1xea h GLU 300 N 1.09 -0.38 -0.49 0.00 4.39 -0.98 -1.32 114.58 116.90 1xea h GLU 300 Ca 0.33 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.14 1xea h GLU 300 Cb -0.03 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 1xea h GLU 300 CO -0.10 -0.25 0.10 0.00 -1.16 0.00 0.00 179.01 177.59 1xea h ALA 301 N 0.37 0.55 -0.36 3.43 0.00 -0.77 -1.80 119.26 120.68 1xea h ALA 301 Ca -0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xea h ALA 301 Cb 0.36 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1xea h ALA 301 CO -0.03 -0.31 0.21 0.82 0.00 0.00 0.00 179.25 179.94 1xea h ILE 302 N 0.24 1.03 -0.51 0.00 2.04 -0.63 -2.11 117.51 117.55 1xea h ILE 302 Ca 0.24 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1xea h ILE 302 Cb 0.32 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1xea h ILE 302 CO -0.32 0.08 0.27 0.00 0.00 0.00 0.00 178.15 178.17 1xea h GLN 304 N 0.52 -0.85 -0.95 0.00 4.20 -1.11 -1.02 115.11 115.90 1xea h GLN 304 Ca 0.22 0.06 0.24 0.00 0.06 0.00 0.00 58.65 59.23 1xea h GLN 304 Cb 0.12 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 1xea h GLN 304 CO -0.15 -0.53 0.64 0.37 -0.67 0.00 0.00 178.83 178.49 1xea h GLN 305 N -1.08 0.28 0.30 1.46 4.15 -1.38 -0.10 115.11 118.75 1xea h GLN 305 Ca -0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1xea h GLN 305 Cb 0.72 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1xea h GLN 305 CO 0.15 0.18 -0.14 0.82 -1.93 0.00 0.00 178.83 177.91 1xea h ILE 306 N 0.29 0.00 -0.89 2.39 2.04 -1.37 -1.46 117.51 118.51 1xea h ILE 306 Ca 0.50 -0.71 0.24 0.00 1.00 0.00 0.00 64.86 65.88 1xea h ILE 306 Cb 1.44 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 37.39 1xea h ILE 306 CO -0.16 0.00 0.31 0.74 0.00 0.00 0.00 178.15 179.05 1xea h THR 307 N -1.11 0.37 0.35 -0.27 2.02 -0.75 0.13 112.91 113.64 1xea h THR 307 Ca -0.04 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1xea h THR 307 Cb 0.31 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1xea h THR 307 CO 0.07 0.05 -0.17 -0.61 0.37 0.00 0.00 175.52 175.23 1xea h GLN 308 N 0.28 -0.45 -0.60 6.66 4.15 -1.10 -1.89 115.11 122.16 1xea h GLN 308 Ca 0.57 0.03 0.18 0.00 0.77 0.00 0.00 58.65 60.19 1xea h GLN 308 Cb 1.13 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1xea h GLN 308 CO -0.61 -0.30 0.68 1.96 -1.93 0.00 0.00 178.83 178.63 1xea h GLN 309 N -0.56 0.00 0.00 1.69 4.20 -0.54 0.31 115.11 120.20 1xea h GLN 309 Ca -0.05 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1xea h GLN 309 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1xea h GLN 309 CO 0.08 0.00 -0.35 0.28 -0.67 0.00 0.00 178.83 178.17 1xea h VAL 310 N 0.00 1.40 0.00 -0.54 2.07 -0.72 -3.32 116.25 115.13 1xea h VAL 310 Ca 0.29 -2.18 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 1xea h VAL 310 Cb 1.64 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 34.18 1xea h VAL 310 CO -0.00 0.47 -0.18 0.71 0.02 0.00 0.00 177.57 178.59 1xea h THR 311 N -1.00 1.07 0.00 2.57 1.35 -0.39 -3.51 112.91 112.99 1xea h THR 311 Ca -0.09 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1xea h THR 311 Cb 1.00 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1xea h THR 311 CO -0.06 0.17 0.00 1.17 -0.25 0.00 0.00 175.52 176.56