#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xie s ASN 2 N 0.00 -0.07 -0.62 3.17 0.01 -1.26 -5.16 114.94 111.01 1xie s ASN 2 Ca 0.00 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.17 1xie s ASN 2 Cb 0.00 0.28 0.39 0.00 0.41 0.00 0.00 41.25 42.32 1xie s ASN 2 CO 0.00 -0.30 1.45 -1.22 -1.51 0.00 0.00 177.10 175.51 1xie n TYR 3 N 1.82 3.29 -2.38 2.20 4.01 -1.26 -5.11 117.16 119.73 1xie n TYR 3 Ca -0.20 -2.88 -0.43 0.00 -0.16 0.00 0.00 57.90 54.23 1xie n TYR 3 Cb 0.56 -0.54 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1xie n TYR 3 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1xie s GLN 4 N -3.76 3.81 0.56 -0.72 -0.44 -1.26 -4.70 119.66 113.15 1xie s GLN 4 Ca 0.49 1.20 -0.17 0.00 -2.50 0.00 0.00 55.36 54.38 1xie s GLN 4 Cb 0.40 -3.93 -0.05 0.00 -1.64 0.00 0.00 33.01 27.78 1xie s GLN 4 CO -0.26 -1.26 1.05 -1.25 0.50 0.00 0.00 175.29 174.07 1xie s PRO 5 N 4.42 3.47 0.27 1.67 0.04 -1.26 -5.06 135.00 138.55 1xie s PRO 5 Ca 0.59 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.93 1xie s PRO 5 Cb -0.17 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1xie s PRO 5 CO 0.26 -0.70 0.02 0.95 0.04 0.00 0.00 177.00 177.58 1xie s THR 6 N -2.29 1.10 0.51 1.26 -4.23 -1.26 -4.62 115.64 106.11 1xie s THR 6 Ca 0.65 -2.03 0.41 0.00 -1.18 0.00 0.00 61.69 59.54 1xie s THR 6 Cb -0.16 -2.55 0.43 0.00 1.34 0.00 0.00 72.50 71.55 1xie s THR 6 CO 0.31 -0.17 2.27 -0.65 -0.54 0.00 0.00 174.62 175.84 1xie h PRO 7 N 2.31 0.00 -0.02 3.99 0.11 -1.80 0.76 132.00 137.36 1xie h PRO 7 Ca -0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 1xie h PRO 7 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1xie h PRO 7 CO 0.66 0.00 -0.42 0.93 -0.21 0.00 0.00 178.00 178.97 1xie h GLU 8 N 0.00 0.04 0.00 1.05 3.07 -1.95 -1.60 114.58 115.19 1xie h GLU 8 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xie h GLU 8 Cb 0.14 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1xie h GLU 8 CO 0.00 0.45 0.00 -0.25 -1.40 0.00 0.00 179.01 177.81 1xie n ASP 9 N -4.04 0.00 -1.78 1.42 8.00 0.26 -4.92 116.55 115.49 1xie n ASP 9 Ca -0.02 0.33 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 1xie n ASP 9 Cb 0.45 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1xie n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xie n ARG 10 N -1.39 -2.78 -2.88 -1.24 5.12 -0.60 -4.63 116.66 108.25 1xie n ARG 10 Ca 0.03 0.50 -0.41 0.00 -1.93 0.00 0.00 57.85 56.03 1xie n ARG 10 Cb 0.07 -4.49 -0.04 0.00 -1.16 0.00 0.00 32.46 26.84 1xie n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1xie s PHE 11 N -2.90 3.46 0.11 -1.55 0.08 -1.26 -0.93 117.98 115.00 1xie s PHE 11 Ca 0.17 1.31 0.05 0.00 0.12 0.00 0.00 56.93 58.59 1xie s PHE 11 Cb -0.08 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1xie s PHE 11 CO 0.22 -0.18 -0.13 0.95 -0.10 0.00 0.00 175.22 175.98 1xie s THR 12 N 1.88 1.20 0.07 0.64 -4.23 -0.45 0.14 115.64 114.90 1xie s THR 12 Ca 0.40 -1.68 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1xie s THR 12 Cb -0.17 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1xie s THR 12 CO 0.15 -0.46 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.27 1xie s PHE 13 N -2.22 1.22 0.39 3.99 0.40 -0.92 0.08 117.98 120.92 1xie s PHE 13 Ca 0.07 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 55.80 1xie s PHE 13 Cb -0.04 -0.68 -0.08 0.00 0.51 0.00 0.00 43.02 42.73 1xie s PHE 13 CO 0.02 0.06 0.79 0.20 0.70 0.00 0.00 175.22 176.99 1xie s GLY 14 N -1.78 2.12 0.33 4.36 0.00 -1.20 -2.08 107.32 109.07 1xie s GLY 14 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.73 1xie s GLY 14 CO 0.02 0.17 1.86 1.41 0.00 0.00 0.00 173.10 176.56 1xie h LEU 15 N 1.61 0.75 -0.41 0.66 3.38 -1.51 -2.37 115.31 117.41 1xie h LEU 15 Ca -0.47 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xie h LEU 15 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xie h LEU 15 CO 0.64 0.39 0.00 -2.67 0.09 0.00 0.00 178.44 176.89 1xie n TRP 16 N -4.58 0.32 0.00 1.13 2.14 -1.26 -1.91 117.44 113.29 1xie n TRP 16 Ca 0.17 0.14 0.00 0.00 2.07 0.00 0.00 57.50 59.89 1xie n TRP 16 Cb 0.42 -0.73 0.00 0.00 -0.81 0.00 0.00 31.31 30.19 1xie n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xie n THR 17 N -1.81 0.00 0.28 -1.67 -2.24 -0.89 -2.88 114.28 105.07 1xie n THR 17 Ca 0.02 0.15 0.17 0.00 -2.27 0.00 0.00 64.05 62.12 1xie n THR 17 Cb 0.12 -0.66 0.89 0.00 -2.10 0.00 0.00 70.33 68.58 1xie n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xie h VAL 18 N 0.00 0.00 -0.00 2.28 -1.51 -1.73 -2.10 116.25 113.19 1xie h VAL 18 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1xie h VAL 18 Cb 0.00 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1xie h VAL 18 CO 0.00 0.00 -0.11 0.61 -1.23 0.00 0.00 177.57 176.84 1xie n GLY 19 N -0.93 -1.17 3.69 5.19 0.00 -0.80 -4.90 105.19 106.27 1xie n GLY 19 Ca -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1xie n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xie s TRP 20 N -2.67 3.02 -2.02 1.61 -0.00 -0.79 -4.65 118.94 113.44 1xie s TRP 20 Ca 0.23 0.99 0.11 0.00 -0.00 0.00 0.00 56.10 57.44 1xie s TRP 20 Cb 0.20 -3.56 0.33 0.00 -0.00 0.00 0.00 33.47 30.44 1xie s TRP 20 CO 0.51 -1.96 1.27 1.04 -0.00 0.00 0.00 176.95 177.81 1xie n GLN 21 N 5.21 1.75 -1.23 5.86 6.02 -1.26 -4.89 117.38 128.83 1xie n GLN 21 Ca 0.12 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 1xie n GLN 21 Cb 0.45 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1xie n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xie n GLY 22 N 1.03 0.39 3.61 1.08 0.00 -1.26 -1.20 105.19 108.84 1xie n GLY 22 Ca 0.11 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1xie n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xie s ARG 23 N -2.46 3.91 0.48 1.61 3.52 -1.26 -4.48 118.95 120.26 1xie s ARG 23 Ca 0.00 0.69 0.06 0.00 -0.13 0.00 0.00 55.73 56.35 1xie s ARG 23 Cb 0.00 -3.78 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1xie s ARG 23 CO 0.00 -0.91 0.28 0.16 -0.81 0.00 0.00 175.30 174.01 1xie s ASP 24 N 1.81 4.56 0.00 -2.12 1.47 -0.98 -4.98 116.67 116.43 1xie s ASP 24 Ca 0.39 -1.17 0.12 0.00 1.18 0.00 0.00 52.55 53.07 1xie s ASP 24 Cb -0.12 -0.02 0.66 0.00 -0.34 0.00 0.00 42.92 43.09 1xie s ASP 24 CO 0.17 -0.82 1.17 -0.81 0.68 0.00 0.00 175.17 175.56 1xie n PRO 25 N -1.50 0.30 -0.15 2.11 -0.04 -1.26 -3.19 135.00 131.27 1xie n PRO 25 Ca -0.03 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1xie n PRO 25 Cb 0.64 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.71 1xie n PRO 25 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xie n PHE 26 N -1.09 0.00 -3.55 0.54 3.72 -1.26 -5.06 117.46 110.76 1xie n PHE 26 Ca 0.08 -0.77 -0.17 0.00 -0.05 0.00 0.00 57.45 56.53 1xie n PHE 26 Cb 0.06 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 1xie n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xie s GLY 27 N -2.42 -0.56 0.94 1.37 0.00 -1.19 -5.16 107.32 100.30 1xie s GLY 27 Ca 0.24 1.53 -0.13 0.00 0.00 0.00 0.00 44.72 46.36 1xie s GLY 27 CO 0.02 1.18 1.15 0.99 0.00 0.00 0.00 173.10 176.44 1xie s ASP 28 N -0.75 3.23 0.57 1.64 1.01 -1.26 -2.32 116.67 118.79 1xie s ASP 28 Ca -0.08 0.90 -0.20 0.00 0.71 0.00 0.00 52.55 53.89 1xie s ASP 28 Cb -0.01 -1.42 -0.04 0.00 1.01 0.00 0.00 42.92 42.45 1xie s ASP 28 CO 0.07 -2.72 1.22 0.00 0.21 0.00 0.00 175.17 173.96 1xie s ALA 29 N -3.28 2.64 -0.26 5.23 0.00 -1.26 -4.35 121.76 120.46 1xie s ALA 29 Ca 0.65 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.68 1xie s ALA 29 Cb -0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1xie s ALA 29 CO 0.54 -1.12 0.31 0.25 0.00 0.00 0.00 175.76 175.74 1xie n THR 30 N -1.37 0.00 -4.18 0.00 -2.24 -0.34 -4.91 114.28 101.24 1xie n THR 30 Ca 0.12 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 1xie n THR 30 Cb 0.49 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 1xie n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xie s ARG 31 N -0.96 0.59 0.88 -0.78 0.52 -0.92 -4.99 118.95 113.29 1xie s ARG 31 Ca 0.02 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 1xie s ARG 31 Cb 0.03 -0.50 0.12 0.00 0.52 0.00 0.00 34.95 35.12 1xie s ARG 31 CO 0.10 0.12 1.10 -0.98 0.02 0.00 0.00 175.30 175.66 1xie s ARG 32 N -0.89 1.37 -0.09 3.54 1.70 -1.26 -4.70 118.95 118.62 1xie s ARG 32 Ca -0.03 0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 55.64 1xie s ARG 32 Cb -0.06 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.47 1xie s ARG 32 CO 0.00 -2.13 1.02 0.00 -1.08 0.00 0.00 175.30 173.11 1xie s ALA 33 N -3.02 3.39 0.13 7.88 0.00 -1.26 -4.87 121.76 124.02 1xie s ALA 33 Ca 0.63 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1xie s ALA 33 Cb -0.17 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1xie s ALA 33 CO 0.56 -0.58 0.57 -0.51 0.00 0.00 0.00 175.76 175.80 1xie s LEU 34 N 1.94 4.39 0.09 0.00 1.43 -1.26 -5.09 118.68 120.18 1xie s LEU 34 Ca 0.49 1.16 -0.31 0.00 -1.03 0.00 0.00 54.13 54.44 1xie s LEU 34 Cb -0.19 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.76 1xie s LEU 34 CO 0.19 0.14 1.36 -0.62 0.23 0.00 0.00 176.35 177.65 1xie s ASP 35 N -1.55 6.87 0.39 2.29 -1.08 -1.26 -4.94 116.67 117.40 1xie s ASP 35 Ca 0.36 2.24 0.24 0.00 -0.52 0.00 0.00 52.55 54.87 1xie s ASP 35 Cb -0.16 -2.58 1.34 0.00 -1.46 0.00 0.00 42.92 40.06 1xie s ASP 35 CO 0.19 -0.63 1.61 -0.65 0.52 0.00 0.00 175.17 176.21 1xie h PRO 36 N 6.97 0.08 -0.25 4.34 0.11 -1.97 0.15 132.00 141.43 1xie h PRO 36 Ca -0.41 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.75 1xie h PRO 36 Cb 1.21 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1xie h PRO 36 CO 0.86 0.05 -0.18 -0.24 -0.21 0.00 0.00 178.00 178.28 1xie h VAL 37 N 0.08 0.50 -0.83 3.15 3.04 -1.92 -0.61 116.25 119.66 1xie h VAL 37 Ca 0.83 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 66.63 1xie h VAL 37 Cb 2.31 0.50 -0.13 0.00 -2.01 0.00 0.00 31.29 31.96 1xie h VAL 37 CO -0.61 0.00 -0.47 -0.08 -1.01 0.00 0.00 177.57 175.41 1xie h GLU 38 N -0.17 -0.09 -0.26 4.17 4.81 -1.11 -2.14 114.58 119.79 1xie h GLU 38 Ca 0.14 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1xie h GLU 38 Cb 0.38 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1xie h GLU 38 CO -0.35 -0.06 -0.19 0.77 -0.73 0.00 0.00 179.01 178.45 1xie h SER 39 N -0.09 0.46 -0.24 1.04 0.02 -0.90 0.23 113.55 114.07 1xie h SER 39 Ca 0.23 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xie h SER 39 Cb 0.53 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1xie h SER 39 CO -0.86 0.67 0.14 0.58 -1.14 0.00 0.00 176.83 176.22 1xie h VAL 40 N 0.42 1.10 -0.10 2.27 2.07 -0.81 -0.84 116.25 120.36 1xie h VAL 40 Ca 0.07 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1xie h VAL 40 Cb 0.58 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1xie h VAL 40 CO 0.04 0.10 -0.11 1.56 0.02 0.00 0.00 177.57 179.18 1xie h GLN 41 N 0.28 -0.13 -0.38 1.57 4.20 -1.19 -1.32 115.11 118.14 1xie h GLN 41 Ca 0.08 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1xie h GLN 41 Cb 0.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1xie h GLN 41 CO -0.01 -0.09 -0.21 0.00 -0.67 0.00 0.00 178.83 177.84 1xie h ARG 42 N -0.14 0.74 -0.22 1.46 2.47 -0.68 -1.54 114.38 116.48 1xie h ARG 42 Ca 0.08 -0.29 -0.15 0.00 -1.26 0.00 0.00 59.98 58.36 1xie h ARG 42 Cb 0.25 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1xie h ARG 42 CO -0.19 0.89 -0.47 -0.07 0.56 0.00 0.00 179.97 180.70 1xie h LEU 43 N 0.65 0.61 -0.89 3.04 4.07 -1.15 -1.99 115.31 119.65 1xie h LEU 43 Ca 0.09 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 1xie h LEU 43 Cb 0.71 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1xie h LEU 43 CO 0.05 0.98 -0.09 0.00 -1.08 0.00 0.00 178.44 178.31 1xie h ALA 44 N 1.04 1.07 0.00 1.53 0.00 -1.00 -0.89 119.26 121.00 1xie h ALA 44 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xie h ALA 44 Cb 0.99 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xie h ALA 44 CO 0.09 0.57 -0.06 0.93 0.00 0.00 0.00 179.25 180.78 1xie h GLU 45 N 0.66 0.00 -0.00 0.00 5.08 -0.56 -1.99 114.58 117.78 1xie h GLU 45 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xie h GLU 45 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1xie h GLU 45 CO 0.03 0.06 -0.11 1.28 -1.00 0.00 0.00 179.01 179.27 1xie n LEU 46 N -4.24 0.24 0.00 1.33 4.77 -0.38 -4.93 117.00 113.78 1xie n LEU 46 Ca -0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1xie n LEU 46 Cb 0.14 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1xie n LEU 46 CO 0.33 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1xie n GLY 47 N 1.37 0.70 3.66 -0.72 0.00 -0.75 -4.70 105.19 104.76 1xie n GLY 47 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1xie n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xie s ALA 48 N -2.00 1.23 -0.10 4.61 0.00 -0.98 -3.51 121.76 121.01 1xie s ALA 48 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 51.96 52.33 1xie s ALA 48 Cb 0.00 -3.32 -0.20 0.00 0.00 0.00 0.00 23.12 19.61 1xie s ALA 48 CO 0.00 -2.72 0.15 1.58 0.00 0.00 0.00 175.76 174.77 1xie n HIS 49 N -4.17 0.00 -4.00 0.00 -0.00 0.12 -4.57 115.22 102.60 1xie n HIS 49 Ca 0.08 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.83 1xie n HIS 49 Cb 0.53 -0.57 0.01 0.00 -0.00 0.00 0.00 29.99 29.96 1xie n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xie n GLY 50 N 1.96 0.23 3.50 1.57 0.00 -1.14 -1.14 105.19 110.18 1xie n GLY 50 Ca -0.16 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 1xie n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xie s VAL 51 N -2.02 0.90 0.19 1.61 -7.23 0.92 -2.16 120.40 112.60 1xie s VAL 51 Ca 0.28 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1xie s VAL 51 Cb -0.01 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1xie s VAL 51 CO -0.01 0.00 0.10 0.42 -0.31 0.00 0.00 175.10 175.31 1xie s THR 52 N -3.23 0.10 -0.05 5.32 -4.23 -0.88 -3.83 115.64 108.84 1xie s THR 52 Ca 0.28 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.56 1xie s THR 52 Cb 0.05 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.57 1xie s THR 52 CO 0.14 -0.14 0.58 0.72 -0.54 0.00 0.00 174.62 175.38 1xie s PHE 53 N -4.07 -0.53 0.40 3.99 -0.71 -1.24 -1.13 117.98 114.68 1xie s PHE 53 Ca 0.35 0.93 -0.16 0.00 -1.04 0.00 0.00 56.93 57.01 1xie s PHE 53 Cb 0.07 0.31 -0.09 0.00 -1.21 0.00 0.00 43.02 42.11 1xie s PHE 53 CO 0.09 -0.53 0.83 -1.01 -1.34 0.00 0.00 175.22 173.26 1xie s HIS 54 N -1.13 3.39 0.29 3.49 3.76 -1.26 -1.27 115.29 122.56 1xie s HIS 54 Ca -0.11 1.32 0.01 0.00 -0.15 0.00 0.00 55.06 56.13 1xie s HIS 54 Cb -0.02 -2.63 0.71 0.00 1.11 0.00 0.00 32.58 31.75 1xie s HIS 54 CO 0.08 -0.07 1.60 0.38 -0.85 0.00 0.00 174.74 175.88 1xie h ASP 55 N 1.75 -0.33 0.26 1.40 2.03 -1.74 0.49 116.42 120.28 1xie h ASP 55 Ca -0.48 0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1xie h ASP 55 Cb 1.18 0.41 0.00 0.00 -0.83 0.00 0.00 39.33 40.09 1xie h ASP 55 CO 0.63 -0.28 -0.12 0.47 -1.03 0.00 0.00 179.24 178.91 1xie n ASP 56 N -5.40 0.67 0.16 4.15 8.00 -1.26 -1.71 116.55 121.17 1xie n ASP 56 Ca 0.22 -0.78 0.04 0.00 0.71 0.00 0.00 54.79 54.97 1xie n ASP 56 Cb 0.71 -0.02 0.16 0.00 -0.02 0.00 0.00 41.12 41.95 1xie n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xie h ASP 57 N 0.87 0.00 0.00 -2.24 3.32 -0.41 -3.38 116.42 114.59 1xie h ASP 57 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1xie h ASP 57 Cb 0.38 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 1xie h ASP 57 CO 0.00 0.46 -2.27 -0.11 -1.72 0.00 0.00 179.24 175.59 1xie n LEU 58 N -3.35 1.95 -4.21 1.55 7.94 -0.93 -4.86 117.00 115.10 1xie n LEU 58 Ca 0.01 0.35 -0.35 0.00 -1.11 0.00 0.00 56.01 54.92 1xie n LEU 58 Cb 0.64 -0.83 -0.14 0.00 0.53 0.00 0.00 43.42 43.62 1xie n LEU 58 CO 0.39 0.47 -0.40 -0.63 -1.11 0.00 0.00 177.39 176.12 1xie s ILE 59 N -2.52 2.95 0.08 1.96 1.01 -0.69 -4.86 121.20 119.13 1xie s ILE 59 Ca -0.37 -1.03 -0.36 0.00 0.00 0.00 0.00 60.65 58.89 1xie s ILE 59 Cb 0.13 -2.51 -0.16 0.00 0.01 0.00 0.00 42.46 39.93 1xie s ILE 59 CO 0.49 0.17 1.43 -2.65 0.00 0.00 0.00 174.94 174.38 1xie n PRO 60 N 4.68 1.42 -1.58 2.79 -0.02 -1.26 -4.20 135.00 136.83 1xie n PRO 60 Ca -0.16 0.51 -0.51 0.00 -2.02 0.00 0.00 63.50 61.32 1xie n PRO 60 Cb 0.47 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1xie n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xie n PHE 61 N 2.95 1.34 0.00 6.00 7.35 -1.26 -0.56 117.46 133.28 1xie n PHE 61 Ca 0.18 0.69 0.00 0.00 -0.76 0.00 0.00 57.45 57.56 1xie n PHE 61 Cb 0.21 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 37.75 1xie n PHE 61 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xie n GLY 62 N 2.27 2.59 1.34 7.13 0.00 -1.26 -5.03 105.19 112.23 1xie n GLY 62 Ca 0.17 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1xie n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xie n SER 63 N 0.18 -0.20 -2.88 1.61 7.64 0.27 -4.99 113.62 115.26 1xie n SER 63 Ca 0.00 0.44 -0.11 0.00 1.01 0.00 0.00 58.87 60.22 1xie n SER 63 Cb 0.00 -0.36 0.09 0.00 -1.01 0.00 0.00 64.21 62.93 1xie n SER 63 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xie n SER 64 N 0.66 -1.35 -0.07 6.43 3.41 -1.26 -4.81 113.62 116.64 1xie n SER 64 Ca 0.07 -0.76 0.14 0.00 -0.26 0.00 0.00 58.87 58.07 1xie n SER 64 Cb 0.06 -0.37 0.62 0.00 -0.26 0.00 0.00 64.21 64.26 1xie n SER 64 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xie n ASP 65 N -3.67 0.31 -0.10 4.04 9.92 -1.26 -1.14 116.55 124.65 1xie n ASP 65 Ca 0.06 -0.32 -0.10 0.00 -0.53 0.00 0.00 54.79 53.90 1xie n ASP 65 Cb 0.21 -0.15 -0.16 0.00 -0.64 0.00 0.00 41.12 40.39 1xie n ASP 65 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xie n SER 66 N -1.14 0.01 0.12 -2.24 3.41 -1.26 -1.83 113.62 110.68 1xie n SER 66 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1xie n SER 66 Cb 0.28 1.01 -0.08 0.00 -0.26 0.00 0.00 64.21 65.16 1xie n SER 66 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xie h GLU 67 N 0.00 -0.32 -0.79 4.33 5.08 -1.91 -2.90 114.58 118.08 1xie h GLU 67 Ca -0.55 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1xie h GLU 67 Cb 2.24 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 31.46 1xie h GLU 67 CO 0.03 0.03 -0.41 -2.13 -1.00 0.00 0.00 179.01 175.53 1xie n ARG 68 N -5.07 -0.29 -0.12 2.33 0.63 -0.29 -1.56 116.66 112.29 1xie n ARG 68 Ca -0.09 1.19 -0.09 0.00 -0.92 0.00 0.00 57.85 57.94 1xie n ARG 68 Cb 0.26 -1.76 -0.01 0.00 0.45 0.00 0.00 32.46 31.39 1xie n ARG 68 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1xie h GLU 69 N 0.00 0.53 -0.92 -0.14 4.81 -1.23 -0.38 114.58 117.25 1xie h GLU 69 Ca 0.17 -0.10 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1xie h GLU 69 Cb 0.37 -0.09 -0.14 0.00 0.63 0.00 0.00 28.75 29.52 1xie h GLU 69 CO -0.75 0.52 -0.44 0.93 -0.73 0.00 0.00 179.01 178.54 1xie h GLU 70 N 0.43 -0.04 -0.08 1.92 5.08 -1.37 -1.55 114.58 118.97 1xie h GLU 70 Ca 0.12 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1xie h GLU 70 Cb 0.19 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1xie h GLU 70 CO -0.01 -0.03 -0.22 0.45 -1.00 0.00 0.00 179.01 178.21 1xie h HIS 71 N -0.04 -0.57 -0.07 4.33 3.86 -0.71 -1.76 115.15 120.19 1xie h HIS 71 Ca 0.28 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1xie h HIS 71 Cb 0.55 0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 1xie h HIS 71 CO -0.88 -0.30 0.04 0.28 0.86 0.00 0.00 177.93 177.93 1xie h VAL 72 N -0.30 1.06 -0.58 2.45 2.07 -1.09 -1.94 116.25 117.92 1xie h VAL 72 Ca 0.08 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1xie h VAL 72 Cb 0.42 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1xie h VAL 72 CO -0.25 0.05 0.26 0.50 0.02 0.00 0.00 177.57 178.15 1xie h LYS 73 N 0.05 0.48 -0.88 1.57 3.64 -1.25 0.18 116.57 120.34 1xie h LYS 73 Ca 0.02 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1xie h LYS 73 Cb 0.04 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.68 1xie h LYS 73 CO -0.00 0.32 0.52 0.00 -2.27 0.00 0.00 179.45 178.01 1xie h ARG 74 N 0.49 0.82 0.20 1.90 3.08 -1.30 -0.88 114.38 118.69 1xie h ARG 74 Ca 0.27 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1xie h ARG 74 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1xie h ARG 74 CO -0.23 0.54 -0.10 0.35 -1.07 0.00 0.00 179.97 179.47 1xie h PHE 75 N 0.84 -0.25 -0.62 3.04 3.57 0.08 -2.05 116.94 121.55 1xie h PHE 75 Ca 0.43 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.04 1xie h PHE 75 Cb 0.42 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 1xie h PHE 75 CO -0.05 -0.09 0.19 -0.09 -2.23 0.00 0.00 178.31 176.04 1xie h ARG 76 N -0.36 0.33 -0.54 1.11 9.65 -0.95 -1.12 114.38 122.50 1xie h ARG 76 Ca -0.03 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 58.92 1xie h ARG 76 Cb 0.28 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.71 1xie h ARG 76 CO 0.05 0.22 0.13 0.37 2.80 0.00 0.00 179.97 183.53 1xie h GLN 77 N 0.34 0.27 -0.64 0.20 5.75 -0.94 -1.26 115.11 118.82 1xie h GLN 77 Ca 0.32 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.78 1xie h GLN 77 Cb 0.45 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1xie h GLN 77 CO -0.36 0.18 0.29 0.00 -2.65 0.00 0.00 178.83 176.29 1xie h ALA 78 N 1.41 1.31 -0.57 3.38 0.00 -0.56 0.31 119.26 124.53 1xie h ALA 78 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xie h ALA 78 Cb 0.37 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xie h ALA 78 CO -0.34 0.53 0.33 -0.07 0.00 0.00 0.00 179.25 179.70 1xie h LEU 79 N 0.91 0.69 -1.18 0.00 3.38 -1.12 -2.36 115.31 115.63 1xie h LEU 79 Ca 0.22 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1xie h LEU 79 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xie h LEU 79 CO -0.03 0.57 0.09 0.44 0.09 0.00 0.00 178.44 179.60 1xie h ASP 80 N 0.76 0.61 0.74 -0.43 3.32 -0.90 0.63 116.42 121.15 1xie h ASP 80 Ca 0.20 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1xie h ASP 80 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1xie h ASP 80 CO -0.04 0.62 -0.21 0.44 -1.72 0.00 0.00 179.24 178.34 1xie h ASP 81 N 0.64 0.00 0.00 6.45 3.32 -0.87 -3.33 116.42 122.64 1xie h ASP 81 Ca 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1xie h ASP 81 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xie h ASP 81 CO -0.00 0.21 -1.30 0.35 -1.72 0.00 0.00 179.24 176.78 1xie n THR 82 N -3.48 0.06 -0.78 0.35 -2.24 -0.90 -4.98 114.28 102.31 1xie n THR 82 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1xie n THR 82 Cb 0.38 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1xie n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xie n GLY 83 N 2.23 0.66 3.78 3.38 0.00 0.22 -5.03 105.19 110.43 1xie n GLY 83 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1xie n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xie s MET 84 N -0.22 3.91 0.47 1.61 -1.94 -1.06 -4.97 119.30 117.09 1xie s MET 84 Ca 0.00 1.58 0.08 0.00 -1.71 0.00 0.00 55.69 55.64 1xie s MET 84 Cb 0.00 -2.38 0.02 0.00 2.01 0.00 0.00 34.83 34.47 1xie s MET 84 CO 0.00 -0.38 0.50 0.15 -0.01 0.00 0.00 175.02 175.28 1xie s LYS 85 N -2.74 2.50 -0.51 2.03 -0.14 -0.29 -4.77 119.74 115.81 1xie s LYS 85 Ca 0.62 -1.59 0.03 0.00 -1.36 0.00 0.00 55.97 53.68 1xie s LYS 85 Cb -0.23 -2.45 0.15 0.00 -1.68 0.00 0.00 37.83 33.61 1xie s LYS 85 CO 0.29 -0.41 0.32 0.08 -0.76 0.00 0.00 175.35 174.86 1xie s VAL 86 N -2.54 1.83 0.00 3.17 1.01 -1.26 -0.05 120.40 122.56 1xie s VAL 86 Ca 0.50 -3.11 0.18 0.00 0.00 0.00 0.00 61.98 59.54 1xie s VAL 86 Cb -0.05 -2.26 0.12 0.00 0.00 0.00 0.00 36.38 34.19 1xie s VAL 86 CO 0.30 -0.95 1.61 -0.65 0.00 0.00 0.00 175.10 175.41 1xie h PRO 87 N 6.24 0.00 -3.30 2.72 0.11 -1.86 -3.11 132.00 132.79 1xie h PRO 87 Ca 0.05 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.99 1xie h PRO 87 Cb 0.88 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.74 1xie h PRO 87 CO 0.56 0.41 -0.48 1.41 -0.21 0.00 0.00 178.00 179.69 1xie s MET 88 N -3.29 0.30 0.20 1.05 -2.45 -1.26 -1.24 119.30 112.60 1xie s MET 88 Ca 0.02 0.12 -0.03 0.00 -1.25 0.00 0.00 55.69 54.54 1xie s MET 88 Cb 0.09 0.14 -0.03 0.00 1.25 0.00 0.00 34.83 36.28 1xie s MET 88 CO 0.71 -0.05 0.19 0.00 1.05 0.00 0.00 175.02 176.91 1xie s ALA 89 N -0.26 0.85 0.19 4.11 0.00 -0.83 -3.61 121.76 122.21 1xie s ALA 89 Ca -0.04 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.20 1xie s ALA 89 Cb -0.03 1.26 0.06 0.00 0.00 0.00 0.00 23.12 24.41 1xie s ALA 89 CO 0.01 -0.63 0.63 -0.08 0.00 0.00 0.00 175.76 175.70 1xie s THR 90 N -4.12 0.00 -0.13 0.00 -1.32 -0.40 -1.42 115.64 108.25 1xie s THR 90 Ca 0.34 -0.29 -0.07 0.00 -1.21 0.00 0.00 61.69 60.45 1xie s THR 90 Cb 0.06 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 1xie s THR 90 CO 0.10 -0.00 0.13 -0.89 -2.21 0.00 0.00 174.62 171.75 1xie s THR 91 N -3.80 5.44 -0.57 5.08 2.01 -1.26 -2.02 115.64 120.52 1xie s THR 91 Ca 0.04 0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 1xie s THR 91 Cb -0.02 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 69.14 1xie s THR 91 CO -0.07 0.59 1.01 0.21 -0.69 0.00 0.00 174.62 175.67 1xie s ASN 92 N -0.81 6.35 -0.31 3.53 3.84 -1.26 -4.84 114.94 121.43 1xie s ASN 92 Ca 0.14 -0.30 0.07 0.00 0.21 0.00 0.00 52.86 52.98 1xie s ASN 92 Cb -0.12 -2.46 0.46 0.00 -0.55 0.00 0.00 41.25 38.57 1xie s ASN 92 CO 0.03 -1.31 1.27 0.18 -2.79 0.00 0.00 177.10 174.48 1xie n LEU 93 N 7.75 4.86 0.00 3.21 4.77 -1.26 -4.74 117.00 131.59 1xie n LEU 93 Ca 0.03 -4.57 0.00 0.00 -0.03 0.00 0.00 56.01 51.43 1xie n LEU 93 Cb 0.48 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xie n LEU 93 CO 0.66 1.94 -0.33 2.22 -1.33 0.00 0.00 177.39 180.54 1xie n PHE 94 N -0.79 0.00 0.09 -1.77 1.16 -1.26 -4.52 117.46 110.36 1xie n PHE 94 Ca 0.42 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.93 1xie n PHE 94 Cb 0.92 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.74 1xie n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xie h THR 95 N 0.00 0.33 -3.57 1.97 2.02 -1.93 -3.46 112.91 108.26 1xie h THR 95 Ca 0.00 -0.92 -0.53 0.00 0.77 0.00 0.00 66.41 65.73 1xie h THR 95 Cb 0.67 0.56 0.09 0.00 -1.74 0.00 0.00 68.15 67.73 1xie h THR 95 CO 0.00 0.09 0.85 -2.28 0.37 0.00 0.00 175.52 174.55 1xie s HIS 96 N -2.92 2.67 0.51 3.16 2.46 -1.26 -4.88 115.29 115.03 1xie s HIS 96 Ca -0.08 0.92 0.26 0.00 0.47 0.00 0.00 55.06 56.63 1xie s HIS 96 Cb 0.00 -4.06 1.56 0.00 -0.13 0.00 0.00 32.58 29.95 1xie s HIS 96 CO 0.28 -3.40 2.16 -1.35 -2.47 0.00 0.00 174.74 169.96 1xie h PRO 97 N 4.12 0.00 -0.63 2.88 0.11 -2.03 -0.20 132.00 136.26 1xie h PRO 97 Ca -0.49 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.81 1xie h PRO 97 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1xie h PRO 97 CO 0.73 0.06 0.47 -0.24 -0.21 0.00 0.00 178.00 178.81 1xie h VAL 98 N 0.00 0.65 -0.11 3.15 3.04 -1.96 -1.26 116.25 119.75 1xie h VAL 98 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1xie h VAL 98 Cb 0.14 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1xie h VAL 98 CO 0.01 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.06 1xie n PHE 99 N -4.28 0.15 0.26 3.17 3.72 -0.09 -4.55 117.46 115.84 1xie n PHE 99 Ca 0.12 -0.08 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 1xie n PHE 99 Cb 0.71 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.95 1xie n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xie h LYS 100 N 0.77 0.00 -0.33 -1.08 2.10 -1.40 0.64 116.57 117.27 1xie h LYS 100 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1xie h LYS 100 Cb 0.17 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.44 1xie h LYS 100 CO 0.00 0.07 -0.01 -3.47 -2.00 0.00 0.00 179.45 174.04 1xie n ASP 101 N -4.17 3.17 0.00 7.07 2.03 -1.26 -5.04 116.55 118.35 1xie n ASP 101 Ca -0.03 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1xie n ASP 101 Cb 0.15 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1xie n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xie n GLY 102 N -0.86 1.42 1.16 0.27 0.00 0.22 -3.85 105.19 103.55 1xie n GLY 102 Ca 0.29 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1xie n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xie n GLY 103 N -0.35 -0.06 0.17 -0.02 0.00 -1.26 -4.31 105.19 99.36 1xie n GLY 103 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xie n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xie h PHE 104 N 0.00 0.00 -0.18 1.61 0.04 -1.90 -3.21 116.94 113.30 1xie h PHE 104 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1xie h PHE 104 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1xie h PHE 104 CO 0.00 0.06 -0.05 0.25 -0.60 0.00 0.00 178.31 177.98 1xie n THR 105 N -2.95 2.21 -2.09 -1.55 -2.24 -1.26 -4.42 114.28 101.98 1xie n THR 105 Ca 0.02 -2.25 -0.39 0.00 -2.27 0.00 0.00 64.05 59.16 1xie n THR 105 Cb 0.57 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1xie n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xie s ALA 106 N -2.95 3.26 0.31 6.98 0.00 -1.21 -4.87 121.76 123.28 1xie s ALA 106 Ca 0.39 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1xie s ALA 106 Cb 0.34 -3.47 0.51 0.00 0.00 0.00 0.00 23.12 20.49 1xie s ALA 106 CO 0.04 -0.77 1.92 -0.91 0.00 0.00 0.00 175.76 176.04 1xie h ASN 107 N 2.72 0.77 -2.95 0.00 2.35 -1.92 -3.42 115.58 113.12 1xie h ASN 107 Ca -0.49 -0.07 -0.54 0.00 -0.55 0.00 0.00 56.30 54.65 1xie h ASN 107 Cb 1.24 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 39.43 1xie h ASN 107 CO 0.63 0.65 0.78 -1.81 -1.65 0.00 0.00 177.43 176.02 1xie s ASP 108 N -6.51 6.84 0.28 5.81 1.01 -1.26 -4.91 116.67 117.92 1xie s ASP 108 Ca -0.10 2.23 0.07 0.00 0.71 0.00 0.00 52.55 55.47 1xie s ASP 108 Cb 0.17 -2.57 0.39 0.00 1.01 0.00 0.00 42.92 41.91 1xie s ASP 108 CO 0.78 -0.68 1.64 -0.09 0.21 0.00 0.00 175.17 177.03 1xie h ARG 109 N 7.31 0.16 -0.09 8.23 2.43 -2.00 -2.60 114.38 127.82 1xie h ARG 109 Ca -0.40 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 1xie h ARG 109 Cb 1.20 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1xie h ARG 109 CO 0.88 0.64 -0.21 0.38 -1.51 0.00 0.00 179.97 180.16 1xie h ASP 110 N 0.13 0.15 -0.39 -3.80 2.03 -1.95 -1.98 116.42 110.60 1xie h ASP 110 Ca 0.00 -0.03 -0.07 0.00 -0.73 0.00 0.00 57.03 56.20 1xie h ASP 110 Cb 0.96 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.41 1xie h ASP 110 CO 0.08 0.37 -0.03 0.58 -1.03 0.00 0.00 179.24 179.21 1xie h VAL 111 N 0.14 1.27 -0.54 4.15 2.07 -1.84 -1.73 116.25 119.76 1xie h VAL 111 Ca 0.03 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1xie h VAL 111 Cb 0.45 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1xie h VAL 111 CO 0.03 0.35 0.09 0.03 0.02 0.00 0.00 177.57 178.10 1xie h ARG 112 N 0.52 0.85 -0.74 1.57 3.08 -1.08 0.35 114.38 118.93 1xie h ARG 112 Ca 0.11 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1xie h ARG 112 Cb 0.51 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1xie h ARG 112 CO 0.02 0.80 0.23 0.00 -1.07 0.00 0.00 179.97 179.95 1xie h ARG 113 N 0.81 1.16 -0.37 0.04 3.08 -1.14 -2.47 114.38 115.50 1xie h ARG 113 Ca 0.17 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1xie h ARG 113 Cb 0.36 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1xie h ARG 113 CO 0.01 0.98 -0.27 -0.92 -1.07 0.00 0.00 179.97 178.70 1xie h TYR 114 N 1.11 0.87 -0.77 3.04 3.20 -0.90 -1.30 116.97 122.23 1xie h TYR 114 Ca 0.24 -0.21 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1xie h TYR 114 Cb 0.31 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1xie h TYR 114 CO 0.03 0.94 0.48 0.00 -1.64 0.00 0.00 178.16 177.97 1xie h ALA 115 N 1.05 1.01 -0.48 1.82 0.00 0.02 0.20 119.26 122.89 1xie h ALA 115 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1xie h ALA 115 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xie h ALA 115 CO 0.06 0.27 -0.19 -0.07 0.00 0.00 0.00 179.25 179.33 1xie h LEU 116 N 0.93 0.96 -0.62 0.00 3.38 -0.98 -2.09 115.31 116.89 1xie h LEU 116 Ca 0.31 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1xie h LEU 116 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xie h LEU 116 CO -0.12 1.12 -0.13 0.03 0.09 0.00 0.00 178.44 179.42 1xie h ARG 117 N 0.83 0.95 -0.35 1.13 2.47 -0.77 -0.20 114.38 118.43 1xie h ARG 117 Ca 0.12 -0.35 0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1xie h ARG 117 Cb 0.74 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 1xie h ARG 117 CO 0.06 1.02 0.19 -0.22 0.56 0.00 0.00 179.97 181.57 1xie h LYS 118 N 0.84 0.37 0.08 0.04 3.64 -0.91 -2.46 116.57 118.18 1xie h LYS 118 Ca 0.13 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1xie h LYS 118 Cb 0.68 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1xie h LYS 118 CO 0.05 0.25 -0.13 1.15 -2.27 0.00 0.00 179.45 178.49 1xie h THR 119 N 0.38 0.69 -0.59 1.00 2.02 -0.94 -2.99 112.91 112.48 1xie h THR 119 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1xie h THR 119 Cb 0.04 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1xie h THR 119 CO -0.09 0.00 0.15 0.40 0.37 0.00 0.00 175.52 176.35 1xie h ILE 120 N -0.27 1.24 -0.88 3.11 2.04 -1.00 -0.19 117.51 121.57 1xie h ILE 120 Ca 0.02 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1xie h ILE 120 Cb 0.28 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1xie h ILE 120 CO -0.07 0.33 0.58 -0.09 0.00 0.00 0.00 178.15 178.89 1xie h ARG 121 N 0.88 1.08 0.00 2.37 2.43 -1.48 -1.41 114.38 118.25 1xie h ARG 121 Ca 0.19 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1xie h ARG 121 Cb 0.32 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1xie h ARG 121 CO -0.00 0.72 -0.53 -0.97 -1.51 0.00 0.00 179.97 177.68 1xie h ASN 122 N 1.12 0.00 -0.44 -3.80 -1.24 -0.94 -2.76 115.58 107.50 1xie h ASN 122 Ca 0.34 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 1xie h ASN 122 Cb -0.01 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1xie h ASN 122 CO -0.10 0.53 0.17 0.40 -1.29 0.00 0.00 177.43 177.14 1xie h ILE 123 N 0.00 1.20 -0.53 2.57 2.04 -0.07 0.15 117.51 122.86 1xie h ILE 123 Ca -0.01 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 1xie h ILE 123 Cb 1.33 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1xie h ILE 123 CO 0.07 0.25 0.11 0.44 0.00 0.00 0.00 178.15 179.01 1xie h ASP 124 N 0.72 0.83 0.32 1.72 3.32 -1.13 -0.06 116.42 122.13 1xie h ASP 124 Ca 0.17 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xie h ASP 124 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1xie h ASP 124 CO -0.01 0.86 -0.37 0.25 -1.72 0.00 0.00 179.24 178.25 1xie h LEU 125 N 0.76 -1.02 -0.66 1.55 5.85 -1.21 -1.18 115.31 119.39 1xie h LEU 125 Ca 0.16 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.11 1xie h LEU 125 Cb 0.37 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 41.63 1xie h LEU 125 CO 0.01 -0.50 -0.20 0.00 -0.34 0.00 0.00 178.44 177.40 1xie h ALA 126 N -0.27 0.36 -0.58 1.25 0.00 -0.35 -0.64 119.26 119.02 1xie h ALA 126 Ca -0.02 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1xie h ALA 126 Cb 0.68 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1xie h ALA 126 CO -0.10 -0.47 0.10 0.28 0.00 0.00 0.00 179.25 179.07 1xie h VAL 127 N -0.03 0.63 -0.67 0.00 2.07 -0.67 0.95 116.25 118.53 1xie h VAL 127 Ca 0.31 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.89 1xie h VAL 127 Cb 0.51 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 1xie h VAL 127 CO -0.70 0.04 0.05 -0.08 0.02 0.00 0.00 177.57 176.91 1xie h GLU 128 N 0.23 0.16 -0.00 1.57 4.81 -0.39 -2.09 114.58 118.86 1xie h GLU 128 Ca 0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1xie h GLU 128 Cb 0.45 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xie h GLU 128 CO -0.41 0.10 -0.16 1.28 -0.73 0.00 0.00 179.01 179.09 1xie n LEU 129 N -5.25 0.39 0.00 1.64 4.77 -0.33 -4.92 117.00 113.31 1xie n LEU 129 Ca 0.11 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1xie n LEU 129 Cb 0.40 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1xie n LEU 129 CO 0.11 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1xie n GLY 130 N 1.37 0.99 3.80 -0.72 0.00 -0.18 -4.44 105.19 106.02 1xie n GLY 130 Ca 0.11 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1xie n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xie s ALA 131 N -2.00 2.78 -0.16 4.61 0.00 0.15 -4.76 121.76 122.39 1xie s ALA 131 Ca 0.00 0.43 0.18 0.00 0.00 0.00 0.00 51.96 52.58 1xie s ALA 131 Cb 0.00 -3.23 -0.26 0.00 0.00 0.00 0.00 23.12 19.62 1xie s ALA 131 CO 0.00 -0.68 0.15 0.39 0.00 0.00 0.00 175.76 175.63 1xie n GLU 132 N -1.78 0.74 -4.72 0.00 4.71 -0.38 -4.64 120.64 114.57 1xie n GLU 132 Ca 0.09 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.16 56.94 1xie n GLU 132 Cb 0.53 -1.51 -0.16 0.00 -1.01 0.00 0.00 31.44 29.29 1xie n GLU 132 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1xie s THR 133 N -2.69 1.26 -0.24 2.62 2.01 -1.00 -2.35 115.64 115.25 1xie s THR 133 Ca -0.09 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1xie s THR 133 Cb 0.08 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1xie s THR 133 CO 0.83 0.37 -0.11 -0.47 -0.69 0.00 0.00 174.62 174.55 1xie s TYR 134 N -0.02 3.06 0.22 4.92 5.04 0.26 -1.97 117.35 128.85 1xie s TYR 134 Ca -0.01 -1.80 -0.16 0.00 -2.44 0.00 0.00 57.07 52.65 1xie s TYR 134 Cb -0.10 -1.99 -0.08 0.00 0.35 0.00 0.00 41.96 40.14 1xie s TYR 134 CO 0.01 -0.79 0.66 0.08 -1.34 0.00 0.00 175.55 174.17 1xie s VAL 135 N 1.25 4.71 -0.24 3.14 1.01 -0.51 -1.43 120.40 128.34 1xie s VAL 135 Ca -0.01 1.02 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1xie s VAL 135 Cb -0.17 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.52 1xie s VAL 135 CO -0.07 0.13 -0.06 0.00 0.00 0.00 0.00 175.10 175.10 1xie s ALA 136 N -1.61 2.05 -0.40 5.51 0.00 -0.17 -4.23 121.76 122.92 1xie s ALA 136 Ca 0.44 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1xie s ALA 136 Cb -0.15 -1.45 0.05 0.00 0.00 0.00 0.00 23.12 21.58 1xie s ALA 136 CO 0.20 -1.18 0.25 -0.46 0.00 0.00 0.00 175.76 174.57 1xie s TRP 137 N 1.35 3.28 -1.15 0.00 -0.00 -1.26 -0.76 118.94 120.39 1xie s TRP 137 Ca -0.06 -1.17 -0.14 0.00 -0.00 0.00 0.00 56.10 54.73 1xie s TRP 137 Cb -0.19 -2.71 0.18 0.00 -0.00 0.00 0.00 33.47 30.75 1xie s TRP 137 CO -0.06 -0.74 1.35 0.20 -0.00 0.00 0.00 176.95 177.69 1xie s GLY 138 N 1.88 2.45 0.11 5.86 0.00 -1.26 -4.75 107.32 111.61 1xie s GLY 138 Ca 0.02 -3.34 0.27 0.00 0.00 0.00 0.00 44.72 41.67 1xie s GLY 138 CO 0.05 1.95 1.83 0.61 0.00 0.00 0.00 173.10 177.53 1xie n GLY 139 N 4.11 -1.55 0.50 0.20 0.00 -1.26 -2.56 105.19 104.63 1xie n GLY 139 Ca 0.33 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1xie n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xie n ARG 140 N -1.87 2.88 -3.04 1.61 5.12 -1.26 -4.00 116.66 116.10 1xie n ARG 140 Ca 0.06 -1.98 -0.43 0.00 -1.93 0.00 0.00 57.85 53.57 1xie n ARG 140 Cb 0.36 -1.24 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 1xie n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xie s GLU 141 N -1.13 3.24 0.00 5.56 0.41 -1.06 -2.93 118.70 122.78 1xie s GLU 141 Ca 0.19 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1xie s GLU 141 Cb 0.11 -4.04 0.00 0.00 -1.78 0.00 0.00 34.13 28.42 1xie s GLU 141 CO 0.12 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.06 1xie n GLY 142 N 5.11 -0.25 3.46 -1.39 0.00 -1.26 -0.81 105.19 110.04 1xie n GLY 142 Ca -0.02 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1xie n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xie s ALA 143 N -1.00 -1.68 -0.71 4.61 0.00 -0.62 -4.89 121.76 117.47 1xie s ALA 143 Ca 0.00 0.74 0.18 0.00 0.00 0.00 0.00 51.96 52.88 1xie s ALA 143 Cb 0.00 0.63 -0.21 0.00 0.00 0.00 0.00 23.12 23.53 1xie s ALA 143 CO 0.00 -0.69 0.71 0.39 0.00 0.00 0.00 175.76 176.17 1xie n GLU 144 N -0.15 0.94 -3.83 0.00 4.71 -1.26 -1.21 120.64 119.83 1xie n GLU 144 Ca -0.15 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.16 56.85 1xie n GLU 144 Cb 0.63 -1.37 -0.09 0.00 -1.01 0.00 0.00 31.44 29.60 1xie n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xie s SER 145 N -2.96 -0.04 0.37 1.62 1.04 -1.26 -4.94 113.70 107.53 1xie s SER 145 Ca 0.04 -0.13 0.26 0.00 0.48 0.00 0.00 55.95 56.60 1xie s SER 145 Cb 0.13 0.25 0.68 0.00 0.10 0.00 0.00 66.02 67.18 1xie s SER 145 CO 0.75 -0.42 1.72 1.23 0.98 0.00 0.00 173.24 177.50 1xie h GLY 146 N 4.04 0.00 -0.09 7.32 0.00 -1.95 -3.21 103.07 109.18 1xie h GLY 146 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1xie h GLY 146 CO 0.41 0.00 -0.63 0.61 0.00 0.00 0.00 176.54 176.94 1xie n GLY 147 N 0.92 -0.66 0.13 4.60 0.00 -1.26 -4.07 105.19 104.85 1xie n GLY 147 Ca 0.04 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.65 1xie n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xie h ALA 148 N 3.39 1.00 -2.87 4.61 0.00 -1.99 -3.42 119.26 119.98 1xie h ALA 148 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1xie h ALA 148 Cb 0.58 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.03 1xie h ALA 148 CO 0.00 0.00 -0.57 0.21 0.00 0.00 0.00 179.25 178.89 1xie s LYS 149 N -3.14 0.12 -0.34 0.00 2.47 -1.26 -4.99 119.74 112.61 1xie s LYS 149 Ca 0.10 0.63 -0.28 0.00 -1.56 0.00 0.00 55.97 54.85 1xie s LYS 149 Cb 0.11 -0.25 0.02 0.00 -1.46 0.00 0.00 37.83 36.24 1xie s LYS 149 CO 0.60 -0.34 1.06 0.34 0.16 0.00 0.00 175.35 177.17 1xie s ASP 150 N 2.38 6.87 0.23 1.43 -1.08 -1.26 -4.94 116.67 120.30 1xie s ASP 150 Ca 0.03 0.94 0.03 0.00 -0.52 0.00 0.00 52.55 53.02 1xie s ASP 150 Cb -0.13 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.04 1xie s ASP 150 CO -0.08 -0.90 1.56 0.58 0.52 0.00 0.00 175.17 176.85 1xie h VAL 151 N 5.78 1.36 -0.20 1.11 2.07 -1.99 0.48 116.25 124.86 1xie h VAL 151 Ca -0.21 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.48 1xie h VAL 151 Cb 1.06 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1xie h VAL 151 CO 1.03 0.56 0.05 0.03 0.02 0.00 0.00 177.57 179.26 1xie h ARG 152 N 0.25 0.13 -0.80 1.57 3.08 -1.99 0.48 114.38 117.10 1xie h ARG 152 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xie h ARG 152 Cb 1.06 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1xie h ARG 152 CO 0.09 0.09 0.39 -0.44 -1.07 0.00 0.00 179.97 179.03 1xie h ASP 153 N 0.14 1.03 0.27 7.04 3.32 -1.92 -1.24 116.42 125.06 1xie h ASP 153 Ca 0.09 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1xie h ASP 153 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1xie h ASP 153 CO -0.11 0.86 -0.31 0.00 -1.72 0.00 0.00 179.24 177.96 1xie h ALA 154 N 1.30 1.40 -0.07 3.45 0.00 -0.45 -1.60 119.26 123.28 1xie h ALA 154 Ca 0.28 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1xie h ALA 154 Cb 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xie h ALA 154 CO -0.04 0.44 -0.75 -0.07 0.00 0.00 0.00 179.25 178.83 1xie h LEU 155 N 0.07 0.51 -0.47 0.00 3.38 -0.59 0.20 115.31 118.41 1xie h LEU 155 Ca 0.01 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1xie h LEU 155 Cb 0.59 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1xie h LEU 155 CO 0.04 1.09 0.09 0.44 0.09 0.00 0.00 178.44 180.19 1xie h ASP 156 N 0.28 -0.00 -0.46 -0.43 3.32 -0.80 0.14 116.42 118.46 1xie h ASP 156 Ca -0.04 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1xie h ASP 156 Cb 1.34 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 1xie h ASP 156 CO 0.13 0.03 0.05 0.03 -1.72 0.00 0.00 179.24 177.76 1xie h ARG 157 N 0.22 0.85 -0.41 3.56 2.47 -0.70 -1.13 114.38 119.25 1xie h ARG 157 Ca 0.23 -0.21 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 1xie h ARG 157 Cb 0.30 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1xie h ARG 157 CO -0.30 0.82 -0.31 1.98 0.56 0.00 0.00 179.97 182.71 1xie h MET 158 N 0.80 0.93 -0.65 0.04 4.05 -0.31 -1.87 114.93 117.93 1xie h MET 158 Ca 0.16 -0.46 -0.07 0.00 -0.28 0.00 0.00 59.70 59.06 1xie h MET 158 Cb 0.40 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1xie h MET 158 CO 0.01 1.12 0.14 -0.22 0.23 0.00 0.00 176.91 178.19 1xie h LYS 159 N 0.76 1.05 -0.60 0.39 3.64 -0.56 -2.06 116.57 119.19 1xie h LYS 159 Ca 0.08 -0.26 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1xie h LYS 159 Cb 0.90 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 1xie h LYS 159 CO 0.08 0.95 0.29 1.49 -2.27 0.00 0.00 179.45 180.00 1xie h GLU 160 N 0.97 0.52 -0.20 1.90 4.81 -1.05 0.17 114.58 121.70 1xie h GLU 160 Ca 0.20 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1xie h GLU 160 Cb 0.39 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1xie h GLU 160 CO 0.01 0.34 0.04 0.00 -0.73 0.00 0.00 179.01 178.67 1xie h ALA 161 N 1.35 0.26 -0.51 2.92 0.00 -1.12 -1.08 119.26 121.07 1xie h ALA 161 Ca 0.28 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xie h ALA 161 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xie h ALA 161 CO -0.22 -0.09 -0.14 0.74 0.00 0.00 0.00 179.25 179.55 1xie h PHE 162 N 0.13 1.10 -0.99 0.00 0.04 -1.09 -0.70 116.94 115.44 1xie h PHE 162 Ca 0.06 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.60 1xie h PHE 162 Cb 0.28 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 1xie h PHE 162 CO 0.01 1.04 0.65 -0.44 -0.60 0.00 0.00 178.31 178.97 1xie h ASP 163 N 0.87 1.15 0.41 2.17 3.32 -0.56 -0.61 116.42 123.18 1xie h ASP 163 Ca 0.13 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1xie h ASP 163 Cb 0.70 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1xie h ASP 163 CO 0.05 0.84 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.64 1xie h LEU 164 N 1.35 0.30 -0.64 1.55 3.38 -0.70 0.79 115.31 121.35 1xie h LEU 164 Ca 0.36 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xie h LEU 164 Cb -0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1xie h LEU 164 CO -0.08 0.92 0.40 -0.07 0.09 0.00 0.00 178.44 179.70 1xie h LEU 165 N 0.17 0.75 -0.35 1.67 3.38 -0.92 -0.60 115.31 119.41 1xie h LEU 165 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xie h LEU 165 Cb 1.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1xie h LEU 165 CO 0.11 0.56 0.20 1.23 0.09 0.00 0.00 178.44 180.64 1xie h GLY 166 N 0.86 0.51 0.48 0.83 0.00 -0.78 -2.13 103.07 102.84 1xie h GLY 166 Ca 0.23 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.40 1xie h GLY 166 CO -0.05 0.21 0.06 -2.09 0.00 0.00 0.00 176.54 174.68 1xie h GLU 167 N 0.44 0.18 -0.36 4.80 4.81 -0.39 -2.57 114.58 121.48 1xie h GLU 167 Ca 0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1xie h GLU 167 Cb 0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1xie h GLU 167 CO -0.02 0.12 0.16 -0.92 -0.73 0.00 0.00 179.01 177.61 1xie h TYR 168 N 0.18 0.54 -0.57 0.92 3.20 -0.77 -0.77 116.97 119.70 1xie h TYR 168 Ca 0.19 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1xie h TYR 168 Cb 0.24 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1xie h TYR 168 CO -0.21 0.48 0.19 0.28 -1.64 0.00 0.00 178.16 177.25 1xie h VAL 169 N 0.45 1.22 0.00 1.81 2.07 -1.35 0.19 116.25 120.63 1xie h VAL 169 Ca 0.12 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1xie h VAL 169 Cb 0.15 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1xie h VAL 169 CO -0.01 0.28 -0.67 0.71 0.02 0.00 0.00 177.57 177.90 1xie h THR 170 N 0.82 0.00 0.00 2.57 1.35 -1.40 -1.34 112.91 114.92 1xie h THR 170 Ca 0.19 -0.65 -0.22 0.00 -0.55 0.00 0.00 66.41 65.18 1xie h THR 170 Cb 0.22 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 1xie h THR 170 CO -0.01 0.00 -1.07 0.77 -0.25 0.00 0.00 175.52 174.95 1xie h SER 171 N 0.00 0.01 0.73 5.36 4.64 -0.37 -0.82 113.55 123.11 1xie h SER 171 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xie h SER 171 Cb 0.83 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1xie h SER 171 CO 0.00 1.01 -0.11 0.00 -0.87 0.00 0.00 176.83 176.86 1xie n GLN 172 N -3.32 0.18 -2.21 4.77 1.13 -0.02 -4.93 117.38 112.98 1xie n GLN 172 Ca -0.02 -0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 54.90 1xie n GLN 172 Cb 0.95 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.80 1xie n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xie n GLY 173 N 1.43 -0.05 3.83 1.08 0.00 -0.31 -5.00 105.19 106.16 1xie n GLY 173 Ca 0.09 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1xie n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xie s TYR 174 N -2.53 3.62 -1.20 1.61 2.02 -0.58 -4.95 117.35 115.34 1xie s TYR 174 Ca 0.01 1.22 -0.11 0.00 -0.37 0.00 0.00 57.07 57.82 1xie s TYR 174 Cb -0.00 -2.49 0.20 0.00 -0.40 0.00 0.00 41.96 39.27 1xie s TYR 174 CO 0.01 0.37 1.45 -0.25 -1.57 0.00 0.00 175.55 175.56 1xie n ASP 175 N 0.72 5.35 -3.82 2.29 9.92 -1.26 -4.78 116.55 124.96 1xie n ASP 175 Ca -0.04 -3.04 -0.13 0.00 -0.53 0.00 0.00 54.79 51.05 1xie n ASP 175 Cb 0.51 -1.50 -0.14 0.00 -0.64 0.00 0.00 41.12 39.35 1xie n ASP 175 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1xie s ILE 176 N 0.47 -0.02 0.42 0.53 2.07 -1.26 -4.75 121.20 118.65 1xie s ILE 176 Ca 0.39 0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.78 1xie s ILE 176 Cb -0.02 -0.07 -0.04 0.00 0.13 0.00 0.00 42.46 42.46 1xie s ILE 176 CO -0.01 0.03 0.21 -0.13 -1.91 0.00 0.00 174.94 173.14 1xie s ARG 177 N 0.43 2.27 0.12 3.50 0.52 -0.99 -5.00 118.95 119.80 1xie s ARG 177 Ca -0.03 -1.81 0.08 0.00 -0.52 0.00 0.00 55.73 53.44 1xie s ARG 177 Cb -0.05 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1xie s ARG 177 CO -0.01 -0.14 -0.11 -0.06 0.02 0.00 0.00 175.30 174.99 1xie s PHE 178 N -2.59 2.69 -0.15 -0.53 0.08 0.62 -0.58 117.98 117.52 1xie s PHE 178 Ca 0.42 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 1xie s PHE 178 Cb 0.03 -1.39 0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1xie s PHE 178 CO 0.23 0.44 0.00 0.00 -0.10 0.00 0.00 175.22 175.79 1xie s ALA 179 N -1.30 1.01 0.05 5.36 0.00 -0.51 -0.03 121.76 126.34 1xie s ALA 179 Ca 0.22 -0.53 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1xie s ALA 179 Cb -0.11 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 1xie s ALA 179 CO 0.13 -0.83 0.74 0.42 0.00 0.00 0.00 175.76 176.22 1xie s ILE 180 N 1.85 4.72 -0.33 0.00 1.01 -0.26 -0.99 121.20 127.20 1xie s ILE 180 Ca 0.02 1.57 -0.08 0.00 0.00 0.00 0.00 60.65 62.16 1xie s ILE 180 Cb -0.15 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1xie s ILE 180 CO -0.07 0.39 0.12 -0.70 0.00 0.00 0.00 174.94 174.68 1xie s GLU 181 N -0.22 2.90 0.62 2.79 2.12 0.06 -0.23 118.70 126.75 1xie s GLU 181 Ca 0.37 -0.99 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 1xie s GLU 181 Cb -0.20 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 1xie s GLU 181 CO 0.22 -0.56 1.06 -2.14 -0.54 0.00 0.00 175.26 173.30 1xie s PRO 182 N 1.49 3.19 -0.17 4.30 0.02 -1.26 -4.36 135.00 138.21 1xie s PRO 182 Ca 0.01 1.14 -0.15 0.00 0.02 0.00 0.00 61.00 62.03 1xie s PRO 182 Cb -0.18 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.36 1xie s PRO 182 CO 0.04 -0.91 0.44 0.21 -0.33 0.00 0.00 177.00 176.45 1xie s LYS 183 N -4.33 0.51 0.09 5.54 2.20 -1.25 -4.68 119.74 117.81 1xie s LYS 183 Ca 0.62 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1xie s LYS 183 Cb -0.16 0.23 -0.25 0.00 -1.51 0.00 0.00 37.83 36.14 1xie s LYS 183 CO 0.42 -0.07 1.19 -1.00 -0.36 0.00 0.00 175.35 175.53 1xie h PRO 184 N 5.59 0.16 -2.89 4.03 0.13 -1.70 -3.39 132.00 133.92 1xie h PRO 184 Ca -0.28 -0.27 0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1xie h PRO 184 Cb 1.18 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1xie h PRO 184 CO 0.23 1.12 0.31 0.54 -0.23 0.00 0.00 178.00 179.98 1xie s ASN 185 N -6.96 -0.08 -0.01 1.44 4.22 -1.26 -1.79 114.94 110.49 1xie s ASN 185 Ca -0.02 -0.88 -0.01 0.00 -2.14 0.00 0.00 52.86 49.80 1xie s ASN 185 Cb 0.08 0.75 0.00 0.00 1.28 0.00 0.00 41.25 43.37 1xie s ASN 185 CO 0.86 -1.45 0.03 1.21 -2.04 0.00 0.00 177.10 175.70 1xie n GLU 186 N -0.53 -2.43 0.00 3.55 2.13 -1.26 -4.85 120.64 117.25 1xie n GLU 186 Ca -0.06 2.04 0.11 0.00 0.66 0.00 0.00 57.16 59.91 1xie n GLU 186 Cb 0.60 -2.61 0.11 0.00 0.27 0.00 0.00 31.44 29.80 1xie n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xie n PRO 187 N 0.86 0.31 -2.45 5.31 -0.04 -1.26 -5.01 135.00 132.72 1xie n PRO 187 Ca -0.04 -0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.90 1xie n PRO 187 Cb 0.07 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1xie n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xie s ARG 188 N -2.84 3.60 0.18 0.54 1.81 -1.26 -4.98 118.95 116.00 1xie s ARG 188 Ca 0.13 0.40 -0.13 0.00 -1.72 0.00 0.00 55.73 54.41 1xie s ARG 188 Cb 0.17 -2.29 0.12 0.00 -0.45 0.00 0.00 34.95 32.50 1xie s ARG 188 CO 0.71 -0.28 1.82 0.78 -0.68 0.00 0.00 175.30 177.65 1xie h GLY 189 N 0.22 0.79 -5.28 -3.53 0.00 -1.85 -3.41 103.07 90.01 1xie h GLY 189 Ca -0.46 -0.25 -0.30 0.00 0.00 0.00 0.00 47.33 46.32 1xie h GLY 189 CO 0.62 0.22 -0.74 0.99 0.00 0.00 0.00 176.54 177.62 1xie s ASP 190 N -5.63 0.55 -0.10 0.19 1.01 -0.35 -4.67 116.67 107.68 1xie s ASP 190 Ca -0.13 -0.16 -0.00 0.00 0.71 0.00 0.00 52.55 52.96 1xie s ASP 190 Cb 0.13 -0.04 -0.03 0.00 1.01 0.00 0.00 42.92 44.00 1xie s ASP 190 CO 0.75 0.00 -0.08 -0.63 0.21 0.00 0.00 175.17 175.42 1xie s ILE 191 N -0.34 3.54 0.64 0.77 1.01 -0.74 -1.59 121.20 124.49 1xie s ILE 191 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1xie s ILE 191 Cb -0.03 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1xie s ILE 191 CO -0.00 0.55 1.11 -0.76 0.00 0.00 0.00 174.94 175.85 1xie s LEU 192 N -0.25 3.45 -0.77 2.97 1.43 0.01 -3.64 118.68 121.88 1xie s LEU 192 Ca 0.03 2.02 -0.03 0.00 -1.03 0.00 0.00 54.13 55.12 1xie s LEU 192 Cb -0.13 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1xie s LEU 192 CO 0.03 -1.56 0.64 0.18 0.23 0.00 0.00 176.35 175.86 1xie n LEU 193 N -2.24 -3.56 0.19 1.79 4.77 -1.26 -4.81 117.00 111.87 1xie n LEU 193 Ca 0.11 -0.61 0.08 0.00 -0.03 0.00 0.00 56.01 55.55 1xie n LEU 193 Cb 0.52 -2.18 0.16 0.00 -2.33 0.00 0.00 43.42 39.59 1xie n LEU 193 CO 0.47 -0.17 0.67 1.55 -1.33 0.00 0.00 177.39 178.58 1xie h PRO 194 N 0.16 0.00 -5.33 3.23 0.13 -1.76 -3.35 132.00 125.07 1xie h PRO 194 Ca -0.43 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.22 1xie h PRO 194 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 1xie h PRO 194 CO 0.33 0.25 -0.63 0.95 -0.23 0.00 0.00 178.00 178.68 1xie s THR 195 N -3.17 1.38 0.17 1.56 -4.23 -1.26 -2.35 115.64 107.74 1xie s THR 195 Ca 0.05 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 1xie s THR 195 Cb 0.07 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1xie s THR 195 CO 0.69 -0.09 1.69 0.58 -0.54 0.00 0.00 174.62 176.95 1xie h VAL 196 N 2.14 0.67 -0.66 2.29 2.07 -1.92 -1.60 116.25 119.23 1xie h VAL 196 Ca -0.41 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1xie h VAL 196 Cb 1.24 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1xie h VAL 196 CO 0.70 0.01 0.38 1.23 0.02 0.00 0.00 177.57 179.92 1xie h GLY 197 N 0.08 0.96 1.61 2.17 0.00 -1.96 -1.22 103.07 104.71 1xie h GLY 197 Ca 0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 1xie h GLY 197 CO -0.35 0.39 -0.67 0.45 0.00 0.00 0.00 176.54 176.35 1xie h HIS 198 N 0.91 0.52 -0.50 5.60 -0.00 -1.70 -0.94 115.15 119.04 1xie h HIS 198 Ca 0.24 -0.21 -0.12 0.00 -0.00 0.00 0.00 60.37 60.27 1xie h HIS 198 Cb -0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 1xie h HIS 198 CO 0.00 0.95 -0.16 0.00 -0.00 0.00 0.00 177.93 178.72 1xie h ALA 199 N 1.00 0.77 -0.72 2.45 0.00 -1.18 -1.64 119.26 119.94 1xie h ALA 199 Ca -0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xie h ALA 199 Cb 1.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xie h ALA 199 CO 0.11 0.67 0.43 -0.07 0.00 0.00 0.00 179.25 180.39 1xie h LEU 200 N 0.86 0.87 -0.30 0.00 3.38 -0.98 -1.57 115.31 117.56 1xie h LEU 200 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xie h LEU 200 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1xie h LEU 200 CO 0.06 0.68 0.11 0.00 0.09 0.00 0.00 178.44 179.37 1xie h ALA 201 N 1.23 0.39 -0.38 1.53 0.00 -1.05 -2.45 119.26 118.53 1xie h ALA 201 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xie h ALA 201 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xie h ALA 201 CO -0.05 0.00 0.01 0.35 0.00 0.00 0.00 179.25 179.57 1xie h PHE 202 N 0.33 0.61 -0.94 0.00 3.57 -0.75 -2.52 116.94 117.25 1xie h PHE 202 Ca 0.10 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1xie h PHE 202 Cb 0.21 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1xie h PHE 202 CO -0.00 0.58 0.61 0.82 -2.23 0.00 0.00 178.31 178.09 1xie h ILE 203 N 0.56 1.04 0.00 1.41 2.04 -0.82 -1.79 117.51 119.96 1xie h ILE 203 Ca 0.12 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1xie h ILE 203 Cb 0.34 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1xie h ILE 203 CO 0.01 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.73 1xie n GLU 204 N -4.51 0.12 -0.01 2.37 -0.58 -0.95 -1.19 120.64 115.89 1xie n GLU 204 Ca 0.15 0.51 0.12 0.00 -0.42 0.00 0.00 57.16 57.53 1xie n GLU 204 Cb 0.23 -1.82 0.16 0.00 -0.57 0.00 0.00 31.44 29.44 1xie n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xie n ARG 205 N -2.06 2.25 -2.11 3.49 5.12 -0.67 -4.95 116.66 117.73 1xie n ARG 205 Ca 0.00 -1.82 -0.28 0.00 -1.93 0.00 0.00 57.85 53.82 1xie n ARG 205 Cb 0.10 -1.46 0.06 0.00 -1.16 0.00 0.00 32.46 29.99 1xie n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xie s LEU 206 N -1.97 2.90 0.17 0.55 1.43 -0.33 -4.98 118.68 116.44 1xie s LEU 206 Ca 0.30 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 54.06 1xie s LEU 206 Cb 0.20 -3.49 0.06 0.00 0.03 0.00 0.00 46.19 43.00 1xie s LEU 206 CO 0.30 -1.43 1.70 -0.33 0.23 0.00 0.00 176.35 176.82 1xie h GLU 207 N -0.58 0.89 -2.99 1.70 4.39 -1.93 -3.33 114.58 112.72 1xie h GLU 207 Ca -0.45 -0.19 -0.65 0.00 0.34 0.00 0.00 59.36 58.42 1xie h GLU 207 Cb 1.28 -0.13 -0.40 0.00 -0.10 0.00 0.00 28.75 29.41 1xie h GLU 207 CO 0.62 0.79 -0.40 0.54 -1.16 0.00 0.00 179.01 179.40 1xie n ARG 208 N -4.44 2.26 0.33 2.33 1.74 -1.26 -4.96 116.66 112.66 1xie n ARG 208 Ca 0.03 -4.53 0.22 0.00 -0.77 0.00 0.00 57.85 52.80 1xie n ARG 208 Cb 0.20 -2.32 1.16 0.00 -1.02 0.00 0.00 32.46 30.48 1xie n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xie h PRO 209 N 5.33 0.00 0.00 5.56 0.11 -1.79 -2.30 132.00 138.91 1xie h PRO 209 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xie h PRO 209 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1xie h PRO 209 CO 0.80 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1xie n GLU 210 N -3.11 0.49 0.00 1.05 0.00 -1.26 -1.46 120.64 116.34 1xie n GLU 210 Ca -0.03 0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.29 1xie n GLU 210 Cb 0.09 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.34 1xie n GLU 210 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xie n LEU 211 N -1.21 0.43 -4.23 -1.84 4.77 -0.87 -4.91 117.00 109.15 1xie n LEU 211 Ca 0.14 0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 1xie n LEU 211 Cb 0.17 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 1xie n LEU 211 CO 0.18 0.11 -0.52 -0.31 -1.33 0.00 0.00 177.39 175.52 1xie s TYR 212 N -3.00 1.79 0.00 -1.77 1.51 -0.54 -0.28 117.35 115.06 1xie s TYR 212 Ca 0.12 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1xie s TYR 212 Cb 0.18 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1xie s TYR 212 CO 0.67 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.55 1xie n GLY 213 N 2.24 5.44 3.47 0.71 0.00 0.96 -4.97 105.19 113.04 1xie n GLY 213 Ca -0.16 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1xie n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xie s VAL 214 N 1.03 2.42 -0.58 1.61 -7.23 0.06 -1.10 120.40 116.62 1xie s VAL 214 Ca 0.00 -2.38 0.04 0.00 -1.81 0.00 0.00 61.98 57.83 1xie s VAL 214 Cb 0.00 -2.33 0.16 0.00 0.56 0.00 0.00 36.38 34.77 1xie s VAL 214 CO 0.00 -0.38 0.39 0.21 -0.31 0.00 0.00 175.10 175.00 1xie s ASN 215 N -3.51 3.97 0.68 4.85 2.47 0.68 -2.83 114.94 121.24 1xie s ASN 215 Ca 0.30 -3.38 -0.13 0.00 0.42 0.00 0.00 52.86 50.07 1xie s ASN 215 Cb -0.04 -1.33 0.01 0.00 -1.45 0.00 0.00 41.25 38.44 1xie s ASN 215 CO 0.15 -0.15 1.09 -2.84 -3.72 0.00 0.00 177.10 171.63 1xie s PRO 216 N -0.70 2.73 -0.02 0.43 0.02 -1.26 -4.27 135.00 131.93 1xie s PRO 216 Ca 0.24 1.27 0.03 0.00 0.02 0.00 0.00 61.00 62.56 1xie s PRO 216 Cb -0.10 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 1xie s PRO 216 CO -0.12 -1.29 -0.12 -2.00 -0.33 0.00 0.00 177.00 173.15 1xie s GLU 217 N -4.39 1.08 0.11 5.54 2.12 -1.26 -0.88 118.70 121.01 1xie s GLU 217 Ca 0.64 -0.41 -0.22 0.00 0.36 0.00 0.00 54.97 55.34 1xie s GLU 217 Cb -0.18 -1.01 -0.05 0.00 0.26 0.00 0.00 34.13 33.14 1xie s GLU 217 CO 0.46 0.21 1.37 0.28 -0.54 0.00 0.00 175.26 177.04 1xie h VAL 218 N 5.08 0.00 0.00 3.70 2.07 -1.71 -1.75 116.25 123.64 1xie h VAL 218 Ca -0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xie h VAL 218 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xie h VAL 218 CO 0.49 0.00 0.00 1.23 0.02 0.00 0.00 177.57 179.31 1xie h GLY 219 N -0.05 0.00 1.65 2.17 0.00 -1.86 -2.84 103.07 102.14 1xie h GLY 219 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.17 1xie h GLY 219 CO -0.61 0.00 -1.24 0.45 0.00 0.00 0.00 176.54 175.15 1xie h HIS 220 N 0.00 0.27 -0.44 5.60 3.86 -1.66 0.25 115.15 123.03 1xie h HIS 220 Ca 0.00 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 1xie h HIS 220 Cb 0.41 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1xie h HIS 220 CO 0.00 1.17 -0.12 0.93 0.86 0.00 0.00 177.93 180.77 1xie h GLU 221 N 0.04 0.80 0.00 2.45 4.39 -1.47 -1.86 114.58 118.93 1xie h GLU 221 Ca -0.12 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 1xie h GLU 221 Cb 1.91 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1xie h GLU 221 CO 0.16 0.88 -0.02 1.96 -1.16 0.00 0.00 179.01 180.84 1xie h GLN 222 N 0.72 0.00 0.00 2.33 4.20 -1.23 -1.28 115.11 119.85 1xie h GLN 222 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1xie h GLN 222 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1xie h GLN 222 CO 0.04 0.02 0.00 0.52 -0.67 0.00 0.00 178.83 178.74 1xie h MET 223 N 0.00 0.00 -0.58 1.46 2.86 -0.08 -0.21 114.93 118.39 1xie h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xie h MET 223 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1xie h MET 223 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1xie n ALA 224 N -1.81 2.41 -1.60 6.32 0.00 -0.56 -4.71 120.51 120.55 1xie n ALA 224 Ca 0.03 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.31 1xie n ALA 224 Cb 0.29 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1xie n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xie n GLY 225 N 1.51 0.63 3.94 0.00 0.00 -0.09 -5.01 105.19 106.17 1xie n GLY 225 Ca 0.21 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1xie n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xie s LEU 226 N -2.07 4.04 -0.53 0.99 1.43 -0.73 -5.00 118.68 116.82 1xie s LEU 226 Ca 0.00 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1xie s LEU 226 Cb 0.00 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1xie s LEU 226 CO 0.00 -0.20 0.87 0.21 0.23 0.00 0.00 176.35 177.46 1xie s ASN 227 N -4.01 6.34 0.21 2.29 3.84 -1.26 -4.29 114.94 118.05 1xie s ASN 227 Ca 0.38 -0.38 -0.09 0.00 0.21 0.00 0.00 52.86 52.98 1xie s ASN 227 Cb -0.09 -2.41 0.15 0.00 -0.55 0.00 0.00 41.25 38.36 1xie s ASN 227 CO 0.29 -1.12 1.82 0.15 -2.79 0.00 0.00 177.10 175.44 1xie h PHE 228 N 9.21 1.06 -0.28 0.43 3.57 -1.91 -2.27 116.94 126.74 1xie h PHE 228 Ca -0.26 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.17 1xie h PHE 228 Cb 1.08 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1xie h PHE 228 CO 0.87 0.75 0.02 -1.35 -2.23 0.00 0.00 178.31 176.37 1xie h PRO 229 N 1.06 0.42 -0.78 6.41 0.11 -1.92 -1.36 132.00 135.93 1xie h PRO 229 Ca 0.27 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1xie h PRO 229 Cb 0.05 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 1xie h PRO 229 CO -0.04 0.43 0.44 0.45 -0.21 0.00 0.00 178.00 179.07 1xie h HIS 230 N 0.41 1.07 -0.35 0.65 3.86 -1.93 -0.65 115.15 118.21 1xie h HIS 230 Ca 0.09 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1xie h HIS 230 Cb 0.24 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 1xie h HIS 230 CO 0.01 0.74 0.02 0.78 0.86 0.00 0.00 177.93 180.34 1xie h GLY 231 N 1.08 0.37 0.94 2.45 0.00 -0.75 -1.76 103.07 105.40 1xie h GLY 231 Ca 0.28 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.50 1xie h GLY 231 CO -0.05 -0.06 -0.34 -2.22 0.00 0.00 0.00 176.54 173.87 1xie h ILE 232 N 0.13 1.32 -0.71 2.60 1.08 -1.07 -0.84 117.51 120.02 1xie h ILE 232 Ca 0.17 -1.55 0.14 0.00 -0.39 0.00 0.00 64.86 63.23 1xie h ILE 232 Cb 0.22 1.76 -0.13 0.00 -3.07 0.00 0.00 36.82 35.60 1xie h ILE 232 CO -0.26 0.48 -0.23 0.00 -0.69 0.00 0.00 178.15 177.45 1xie h ALA 233 N 0.64 0.34 -0.45 1.87 0.00 -0.97 0.32 119.26 121.01 1xie h ALA 233 Ca 0.02 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1xie h ALA 233 Cb 0.93 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1xie h ALA 233 CO 0.08 -0.49 0.01 0.37 0.00 0.00 0.00 179.25 179.22 1xie h GLN 234 N -0.04 0.79 -0.48 0.00 4.15 -1.01 0.22 115.11 118.74 1xie h GLN 234 Ca 0.32 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.54 1xie h GLN 234 Cb 0.54 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 1xie h GLN 234 CO -0.75 0.84 0.24 0.00 -1.93 0.00 0.00 178.83 177.24 1xie h ALA 235 N 0.92 0.61 -0.84 3.38 0.00 -0.46 -1.55 119.26 121.31 1xie h ALA 235 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xie h ALA 235 Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1xie h ALA 235 CO 0.02 -0.11 0.52 -0.07 0.00 0.00 0.00 179.25 179.62 1xie h LEU 236 N 0.48 0.99 -1.86 0.00 3.38 0.02 -1.35 115.31 116.97 1xie h LEU 236 Ca 0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1xie h LEU 236 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xie h LEU 236 CO -0.15 0.75 -0.12 -0.25 0.09 0.00 0.00 178.44 178.76 1xie h TRP 237 N 1.15 0.00 -0.00 1.13 7.01 -0.34 -1.63 115.95 123.26 1xie h TRP 237 Ca 0.30 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1xie h TRP 237 Cb -0.08 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1xie h TRP 237 CO -0.01 0.12 -0.16 0.00 -2.79 0.00 0.00 178.44 175.60 1xie n ALA 238 N -2.43 2.84 -1.79 2.65 0.00 -0.60 -4.92 120.51 116.26 1xie n ALA 238 Ca -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.10 1xie n ALA 238 Cb 0.20 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1xie n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xie n GLY 239 N 1.35 0.36 0.17 0.00 0.00 -0.61 -4.96 105.19 101.49 1xie n GLY 239 Ca 0.12 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.48 1xie n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xie n LYS 240 N -1.95 1.09 -2.75 1.61 4.76 -0.55 -4.90 118.16 115.48 1xie n LYS 240 Ca -0.06 -1.92 -0.43 0.00 -2.87 0.00 0.00 58.31 53.04 1xie n LYS 240 Cb 0.42 -1.12 -0.02 0.00 -1.84 0.00 0.00 35.03 32.48 1xie n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xie s LEU 241 N -1.73 4.34 0.13 -0.35 2.96 -1.24 -0.76 118.68 122.03 1xie s LEU 241 Ca 0.18 -2.17 0.04 0.00 -0.22 0.00 0.00 54.13 51.96 1xie s LEU 241 Cb 0.16 -2.49 -0.16 0.00 0.50 0.00 0.00 46.19 44.20 1xie s LEU 241 CO 0.02 -1.15 1.28 -0.26 -1.32 0.00 0.00 176.35 174.92 1xie h PHE 242 N 8.47 0.16 -2.75 5.38 -1.00 -1.87 -3.48 116.94 121.85 1xie h PHE 242 Ca 0.27 -0.11 0.06 0.00 2.81 0.00 0.00 57.97 61.00 1xie h PHE 242 Cb 0.95 -0.01 -0.10 0.00 3.61 0.00 0.00 35.95 40.40 1xie h PHE 242 CO 1.24 1.04 0.32 -1.58 -1.61 0.00 0.00 178.31 177.72 1xie s HIS 243 N -2.83 -0.34 0.05 -0.55 2.46 -1.22 -4.85 115.29 108.02 1xie s HIS 243 Ca -0.01 0.06 -0.04 0.00 0.47 0.00 0.00 55.06 55.54 1xie s HIS 243 Cb 0.09 0.61 -0.02 0.00 -0.13 0.00 0.00 32.58 33.13 1xie s HIS 243 CO 0.83 -0.89 0.07 -1.50 -2.47 0.00 0.00 174.74 170.78 1xie s ILE 244 N -3.59 0.17 -0.14 0.89 2.07 -1.26 -4.17 121.20 115.16 1xie s ILE 244 Ca 0.06 -1.36 0.02 0.00 -1.41 0.00 0.00 60.65 57.97 1xie s ILE 244 Cb -0.02 -1.20 0.01 0.00 0.13 0.00 0.00 42.46 41.38 1xie s ILE 244 CO -0.04 -0.75 -0.21 -1.81 -1.91 0.00 0.00 174.94 170.21 1xie s ASP 245 N -2.56 3.18 -0.13 4.50 1.11 -0.06 -3.72 116.67 119.00 1xie s ASP 245 Ca 0.01 -0.59 -0.06 0.00 0.18 0.00 0.00 52.55 52.10 1xie s ASP 245 Cb 0.03 -1.46 -0.04 0.00 1.07 0.00 0.00 42.92 42.52 1xie s ASP 245 CO -0.08 0.08 0.08 -0.76 1.18 0.00 0.00 175.17 175.68 1xie s LEU 246 N 0.79 4.00 0.00 1.23 1.43 0.18 -2.03 118.68 124.29 1xie s LEU 246 Ca -0.07 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1xie s LEU 246 Cb -0.16 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1xie s LEU 246 CO -0.01 0.34 0.00 -0.46 0.23 0.00 0.00 176.35 176.45 1xie n ASN 247 N 2.44 0.00 -4.39 2.29 0.23 -1.26 -2.33 115.26 112.24 1xie n ASN 247 Ca -0.19 -0.68 -0.19 0.00 -0.53 0.00 0.00 54.58 52.99 1xie n ASN 247 Cb 0.54 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.13 1xie n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xie s GLY 248 N -2.22 1.75 -0.28 4.83 0.00 -0.45 -4.50 107.32 106.46 1xie s GLY 248 Ca 0.00 -1.87 -0.19 0.00 0.00 0.00 0.00 44.72 42.66 1xie s GLY 248 CO 0.00 -1.76 0.78 1.62 0.00 0.00 0.00 173.10 173.74 1xie s GLN 249 N -3.82 0.66 -1.06 2.90 2.00 -1.26 -1.56 119.66 117.53 1xie s GLN 249 Ca 0.30 1.02 -0.11 0.00 -2.00 0.00 0.00 55.36 54.57 1xie s GLN 249 Cb 0.06 0.20 0.25 0.00 0.80 0.00 0.00 33.01 34.32 1xie s GLN 249 CO 0.11 -0.12 1.08 -0.80 -0.50 0.00 0.00 175.29 175.06 1xie s ASN 250 N 1.16 7.16 0.12 6.67 0.01 -1.26 -3.30 114.94 125.49 1xie s ASN 250 Ca -0.06 -3.29 0.00 0.00 -0.71 0.00 0.00 52.86 48.80 1xie s ASN 250 Cb -0.05 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.37 1xie s ASN 250 CO -0.13 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.64 1xie n GLY 251 N 3.22 -1.46 3.43 0.66 0.00 -1.26 -4.68 105.19 105.10 1xie n GLY 251 Ca 0.23 -1.30 -0.44 0.00 0.00 0.00 0.00 46.02 44.52 1xie n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xie s ILE 252 N 0.00 4.59 0.00 -0.61 1.01 -1.26 -4.46 121.20 120.48 1xie s ILE 252 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1xie s ILE 252 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1xie s ILE 252 CO 0.00 -1.20 0.00 2.29 0.00 0.00 0.00 174.94 176.03 1xie n LYS 253 N 6.95 0.00 -0.96 2.79 2.85 -1.26 -5.10 118.16 123.43 1xie n LYS 253 Ca -0.06 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.87 1xie n LYS 253 Cb 0.45 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.95 1xie n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xie n TYR 254 N 0.00 0.32 -2.33 5.58 4.11 -1.26 -4.85 117.16 118.73 1xie n TYR 254 Ca 0.00 0.36 -0.42 0.00 -0.00 0.00 0.00 57.90 57.84 1xie n TYR 254 Cb 0.00 -1.99 -0.02 0.00 -0.00 0.00 0.00 39.34 37.33 1xie n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xie s ASP 255 N -2.13 6.20 0.06 9.48 2.15 -1.26 -4.90 116.67 126.28 1xie s ASP 255 Ca 0.67 0.67 -0.14 0.00 0.43 0.00 0.00 52.55 54.18 1xie s ASP 255 Cb -0.27 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.55 1xie s ASP 255 CO 0.57 -1.58 1.14 1.56 -0.17 0.00 0.00 175.17 176.70 1xie h GLN 256 N 11.13 0.66 -2.22 4.34 4.20 -1.89 -3.48 115.11 127.85 1xie h GLN 256 Ca -0.28 -0.80 -0.31 0.00 0.06 0.00 0.00 58.65 57.32 1xie h GLN 256 Cb 1.11 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 1xie h GLN 256 CO 1.12 1.36 -0.40 -0.25 -0.67 0.00 0.00 178.83 179.98 1xie n ASP 257 N -3.82 -4.71 -4.71 1.46 8.00 -1.23 -4.65 116.55 106.89 1xie n ASP 257 Ca -0.13 -0.01 -0.31 0.00 0.71 0.00 0.00 54.79 55.06 1xie n ASP 257 Cb 0.94 -3.84 0.14 0.00 -0.02 0.00 0.00 41.12 38.35 1xie n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xie s LEU 258 N -4.51 2.83 0.84 0.64 1.43 -0.60 -0.14 118.68 119.17 1xie s LEU 258 Ca 0.00 1.99 -0.13 0.00 -1.03 0.00 0.00 54.13 54.96 1xie s LEU 258 Cb 0.00 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 41.78 1xie s LEU 258 CO 0.00 -2.70 0.81 -2.11 0.23 0.00 0.00 176.35 172.58 1xie n ARG 259 N -3.96 0.00 -2.01 1.70 1.85 -1.26 -1.34 116.66 111.64 1xie n ARG 259 Ca 0.10 0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.60 1xie n ARG 259 Cb 0.53 -2.12 -0.03 0.00 -1.05 0.00 0.00 32.46 29.79 1xie n ARG 259 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1xie s PHE 260 N -2.21 2.93 0.00 2.89 5.36 -1.26 -1.25 117.98 124.44 1xie s PHE 260 Ca 0.66 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1xie s PHE 260 Cb -0.27 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1xie s PHE 260 CO 0.58 -3.20 0.00 0.41 -1.46 0.00 0.00 175.22 171.55 1xie n GLY 261 N 3.74 2.98 3.73 13.12 0.00 -1.26 -4.44 105.19 123.06 1xie n GLY 261 Ca 0.14 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 1xie n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xie s ALA 262 N -0.44 1.46 0.00 4.61 0.00 -0.38 -4.27 121.76 122.73 1xie s ALA 262 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1xie s ALA 262 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1xie s ALA 262 CO 0.00 -2.46 0.00 0.41 0.00 0.00 0.00 175.76 173.71 1xie n GLY 263 N -1.57 0.83 3.55 0.00 0.00 -1.26 -4.05 105.19 102.70 1xie n GLY 263 Ca 0.06 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1xie n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xie s ASP 264 N -4.00 6.27 0.13 1.61 -1.08 -1.21 -4.88 116.67 113.51 1xie s ASP 264 Ca 0.00 -0.80 -0.13 0.00 -0.52 0.00 0.00 52.55 51.11 1xie s ASP 264 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1xie s ASP 264 CO 0.00 -1.73 1.51 0.25 0.52 0.00 0.00 175.17 175.72 1xie h LEU 265 N 12.99 0.87 -0.90 -1.34 5.85 -1.80 -2.38 115.31 128.60 1xie h LEU 265 Ca -0.11 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1xie h LEU 265 Cb 1.04 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1xie h LEU 265 CO 1.33 1.08 0.12 0.03 -0.34 0.00 0.00 178.44 180.66 1xie h ARG 266 N 0.66 0.93 -0.97 1.25 2.47 -1.94 -2.43 114.38 114.34 1xie h ARG 266 Ca 0.09 -0.21 0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1xie h ARG 266 Cb 0.75 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.88 1xie h ARG 266 CO 0.06 0.85 0.63 0.00 0.56 0.00 0.00 179.97 182.06 1xie h ALA 267 N 1.24 1.33 -0.18 0.04 0.00 -1.94 -0.11 119.26 119.65 1xie h ALA 267 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xie h ALA 267 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xie h ALA 267 CO 0.00 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.73 1xie h ALA 268 N 1.43 1.73 -0.00 0.00 0.00 -1.04 0.13 119.26 121.51 1xie h ALA 268 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xie h ALA 268 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xie h ALA 268 CO -0.16 0.21 -0.00 0.35 0.00 0.00 0.00 179.25 179.65 1xie h PHE 269 N 0.25 0.01 0.00 0.00 3.57 -0.87 -1.76 116.94 118.14 1xie h PHE 269 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xie h PHE 269 Cb 0.12 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1xie h PHE 269 CO 0.00 0.62 0.00 -1.49 -2.23 0.00 0.00 178.31 175.21 1xie h TRP 270 N -0.61 0.00 -0.16 0.41 4.06 -0.71 -0.43 115.95 118.51 1xie h TRP 270 Ca -0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1xie h TRP 270 Cb 0.62 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1xie h TRP 270 CO 0.14 0.00 -0.17 1.25 -3.56 0.00 0.00 178.44 176.10 1xie h LEU 271 N 0.00 0.44 -0.97 -4.49 5.85 -0.38 -1.99 115.31 113.77 1xie h LEU 271 Ca 0.00 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1xie h LEU 271 Cb 0.74 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1xie h LEU 271 CO 0.00 0.83 0.31 0.58 -0.34 0.00 0.00 178.44 179.82 1xie h VAL 272 N 0.05 1.24 -0.56 1.05 2.07 -1.05 0.12 116.25 119.17 1xie h VAL 272 Ca 0.02 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1xie h VAL 272 Cb 0.72 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1xie h VAL 272 CO 0.04 0.30 0.19 -0.78 0.02 0.00 0.00 177.57 177.34 1xie h ASP 273 N 1.03 0.18 -0.04 0.57 3.58 -1.09 0.91 116.42 121.57 1xie h ASP 273 Ca 0.24 0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.59 1xie h ASP 273 Cb 0.16 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.29 1xie h ASP 273 CO -0.03 0.12 -0.67 0.25 -2.88 0.00 0.00 179.24 176.03 1xie h LEU 274 N 0.37 0.65 -0.74 2.28 5.85 -0.73 0.41 115.31 123.40 1xie h LEU 274 Ca 0.28 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1xie h LEU 274 Cb 0.33 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1xie h LEU 274 CO -0.29 1.28 0.37 -0.07 -0.34 0.00 0.00 178.44 179.38 1xie h LEU 275 N 0.09 0.96 -0.42 2.25 3.38 -0.67 -0.57 115.31 120.33 1xie h LEU 275 Ca -0.07 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1xie h LEU 275 Cb 1.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1xie h LEU 275 CO 0.13 0.81 -0.42 -0.33 0.09 0.00 0.00 178.44 178.73 1xie h GLU 276 N 1.03 0.00 0.00 1.13 4.39 -0.77 0.91 114.58 121.28 1xie h GLU 276 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1xie h GLU 276 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1xie h GLU 276 CO -0.03 0.42 -1.01 -1.13 -1.16 0.00 0.00 179.01 176.10 1xie n SER 277 N -3.32 0.68 0.16 1.42 3.41 0.13 -1.33 113.62 114.76 1xie n SER 277 Ca 0.01 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1xie n SER 277 Cb 0.63 0.61 0.21 0.00 -0.26 0.00 0.00 64.21 65.40 1xie n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xie h ALA 278 N 2.27 0.89 -0.48 7.33 0.00 -1.16 -3.47 119.26 124.63 1xie h ALA 278 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xie h ALA 278 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xie h ALA 278 CO 0.00 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.58 1xie n GLY 279 N 1.19 0.27 3.65 0.00 0.00 -0.44 -4.96 105.19 104.90 1xie n GLY 279 Ca 0.04 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 1xie n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xie n TYR 280 N -3.95 2.03 -1.34 1.61 9.36 0.20 -4.88 117.16 120.18 1xie n TYR 280 Ca -0.03 0.44 0.07 0.00 3.32 0.00 0.00 57.90 61.69 1xie n TYR 280 Cb 0.53 -2.45 0.10 0.00 -0.63 0.00 0.00 39.34 36.89 1xie n TYR 280 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1xie n SER 281 N 2.51 1.68 -2.32 2.98 3.41 -1.26 -4.93 113.62 115.70 1xie n SER 281 Ca 0.14 -2.79 -0.04 0.00 -0.26 0.00 0.00 58.87 55.92 1xie n SER 281 Cb 0.29 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1xie n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xie n GLY 282 N -1.03 -0.67 3.76 5.00 0.00 -1.26 -5.02 105.19 105.97 1xie n GLY 282 Ca 0.12 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1xie n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xie s PRO 283 N -3.27 3.68 -0.84 1.61 0.02 -1.26 -4.96 135.00 129.97 1xie s PRO 283 Ca 0.11 2.17 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 1xie s PRO 283 Cb -0.00 -2.56 0.17 0.00 0.02 0.00 0.00 34.50 32.13 1xie s PRO 283 CO 0.08 -0.74 0.89 1.03 -0.33 0.00 0.00 177.00 177.93 1xie s ARG 284 N -2.51 3.54 -0.11 5.54 3.00 -0.10 -4.40 118.95 123.91 1xie s ARG 284 Ca 0.62 -2.09 -0.13 0.00 0.00 0.00 0.00 55.73 54.13 1xie s ARG 284 Cb -0.38 -4.60 -0.05 0.00 0.00 0.00 0.00 34.95 29.92 1xie s ARG 284 CO 0.48 -1.49 0.30 -1.58 0.00 0.00 0.00 175.30 173.01 1xie s HIS 285 N 1.35 3.55 -0.34 -0.53 2.46 -1.24 -1.34 115.29 119.20 1xie s HIS 285 Ca 0.23 0.69 -0.10 0.00 0.47 0.00 0.00 55.06 56.34 1xie s HIS 285 Cb -0.10 -2.27 0.01 0.00 -0.13 0.00 0.00 32.58 30.09 1xie s HIS 285 CO -0.08 0.42 0.18 -0.06 -2.47 0.00 0.00 174.74 172.73 1xie s PHE 286 N -0.16 3.21 -0.91 3.88 0.08 0.11 0.51 117.98 124.70 1xie s PHE 286 Ca 0.18 -0.73 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 1xie s PHE 286 Cb -0.14 -2.40 0.23 0.00 -0.57 0.00 0.00 43.02 40.15 1xie s PHE 286 CO 0.06 -0.54 0.84 0.34 -0.10 0.00 0.00 175.22 175.83 1xie s ASP 287 N 1.59 6.59 0.15 1.36 2.15 -0.98 -3.26 116.67 124.27 1xie s ASP 287 Ca 0.03 -3.23 0.03 0.00 0.43 0.00 0.00 52.55 49.81 1xie s ASP 287 Cb -0.18 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1xie s ASP 287 CO 0.07 -0.37 -0.05 0.72 -0.17 0.00 0.00 175.17 175.37 1xie s PHE 288 N -0.66 1.17 -0.14 -5.34 -0.71 -1.26 -4.62 117.98 106.42 1xie s PHE 288 Ca 0.24 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.24 1xie s PHE 288 Cb -0.11 -0.65 0.02 0.00 -1.21 0.00 0.00 43.02 41.07 1xie s PHE 288 CO -0.09 -0.10 -0.17 0.15 -1.34 0.00 0.00 175.22 173.68 1xie s LYS 289 N -3.84 2.51 0.04 1.99 1.02 0.81 -4.44 119.74 117.84 1xie s LYS 289 Ca 0.19 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 1xie s LYS 289 Cb 0.05 -2.16 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1xie s LYS 289 CO 0.01 -0.13 1.67 -2.14 -0.92 0.00 0.00 175.35 173.84 1xie s PRO 290 N 1.15 4.19 0.84 -1.68 0.02 -1.26 -4.65 135.00 133.62 1xie s PRO 290 Ca -0.01 2.31 -0.15 0.00 0.02 0.00 0.00 61.00 63.17 1xie s PRO 290 Cb -0.14 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 1xie s PRO 290 CO -0.06 -0.76 0.20 -2.30 -0.33 0.00 0.00 177.00 173.75 1xie n PRO 291 N 5.99 0.02 0.00 5.54 -0.02 -1.26 -4.84 135.00 140.42 1xie n PRO 291 Ca 0.16 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1xie n PRO 291 Cb 0.41 -1.64 0.65 0.00 -0.02 0.00 0.00 33.50 32.90 1xie n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xie n ARG 292 N -0.36 0.39 0.31 -0.52 1.85 -1.26 -1.91 116.66 115.17 1xie n ARG 292 Ca 0.07 0.04 0.19 0.00 -1.00 0.00 0.00 57.85 57.15 1xie n ARG 292 Cb 0.52 -1.50 1.03 0.00 -1.05 0.00 0.00 32.46 31.46 1xie n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xie h THR 293 N 0.00 0.16 -3.28 8.89 1.35 -1.98 -3.45 112.91 114.60 1xie h THR 293 Ca 0.00 -0.15 -0.56 0.00 -0.55 0.00 0.00 66.41 65.15 1xie h THR 293 Cb 0.23 1.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.73 1xie h THR 293 CO 0.00 0.02 -0.15 -1.61 -0.25 0.00 0.00 175.52 173.52 1xie s GLU 294 N -4.17 3.85 0.00 4.72 0.41 -0.80 -5.10 118.70 117.61 1xie s GLU 294 Ca -0.04 0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.83 1xie s GLU 294 Cb 0.13 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1xie s GLU 294 CO 0.48 0.46 0.00 -0.40 -0.49 0.00 0.00 175.26 175.30 1xie n ASP 295 N 0.52 0.00 0.22 -0.19 5.68 -1.26 -4.87 116.55 116.66 1xie n ASP 295 Ca -0.04 -0.90 0.07 0.00 -0.50 0.00 0.00 54.79 53.42 1xie n ASP 295 Cb 0.52 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.02 1xie n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1xie h PHE 296 N -0.43 0.00 -0.91 2.11 0.04 -1.99 -1.69 116.94 114.07 1xie h PHE 296 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1xie h PHE 296 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1xie h PHE 296 CO 0.00 0.23 0.53 -0.44 -0.60 0.00 0.00 178.31 178.03 1xie h ASP 297 N 0.00 1.10 -0.83 2.17 3.32 -2.00 -1.90 116.42 118.28 1xie h ASP 297 Ca -0.00 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1xie h ASP 297 Cb 0.47 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1xie h ASP 297 CO 0.03 0.86 0.54 1.23 -1.72 0.00 0.00 179.24 180.18 1xie h GLY 298 N 1.25 1.18 0.40 2.75 0.00 -1.68 -1.76 103.07 105.22 1xie h GLY 298 Ca 0.32 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1xie h GLY 298 CO -0.06 0.38 -0.44 -2.08 0.00 0.00 0.00 176.54 174.35 1xie h VAL 299 N 1.08 0.13 0.00 4.60 2.07 -0.61 -1.65 116.25 121.87 1xie h VAL 299 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 1xie h VAL 299 Cb -0.06 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1xie h VAL 299 CO -0.09 0.00 -0.10 -0.50 0.02 0.00 0.00 177.57 176.90 1xie h TRP 300 N -0.78 0.00 -0.01 1.57 4.06 -1.16 -1.89 115.95 117.75 1xie h TRP 300 Ca -0.01 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 1xie h TRP 300 Cb 0.74 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1xie h TRP 300 CO -0.31 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 174.68 1xie h ALA 301 N 1.90 0.01 -0.25 1.49 0.00 -1.27 -0.73 119.26 120.40 1xie h ALA 301 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xie h ALA 301 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xie h ALA 301 CO 0.01 -0.44 0.15 1.03 0.00 0.00 0.00 179.25 180.00 1xie h SER 302 N -0.09 0.31 -0.56 0.00 0.87 -1.07 0.19 113.55 113.21 1xie h SER 302 Ca 0.00 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1xie h SER 302 Cb 0.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1xie h SER 302 CO -0.00 0.27 -0.05 0.00 -0.53 0.00 0.00 176.83 176.52 1xie h ALA 303 N 1.05 0.76 -0.17 6.23 0.00 -1.29 -1.59 119.26 124.24 1xie h ALA 303 Ca 0.09 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xie h ALA 303 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xie h ALA 303 CO -0.02 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1xie h ALA 304 N 0.95 0.15 0.00 0.00 0.00 -1.07 -2.51 119.26 116.77 1xie h ALA 304 Ca 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xie h ALA 304 Cb 0.61 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xie h ALA 304 CO 0.04 -0.44 -0.04 0.78 0.00 0.00 0.00 179.25 179.59 1xie h GLY 305 N 0.06 0.00 0.32 0.00 0.00 0.32 -1.45 103.07 102.31 1xie h GLY 305 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1xie h GLY 305 CO -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.13 1xie h MET 307 N -0.38 1.14 -0.42 0.00 2.86 -1.49 -2.79 114.93 113.86 1xie h MET 307 Ca 0.08 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1xie h MET 307 Cb 0.50 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1xie h MET 307 CO -0.28 0.80 0.19 -0.09 1.06 0.00 0.00 176.91 178.60 1xie h ARG 308 N 1.16 0.38 -0.36 1.72 2.43 -0.97 -1.62 114.38 117.13 1xie h ARG 308 Ca 0.30 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 1xie h ARG 308 Cb -0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1xie h ARG 308 CO -0.06 0.25 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.50 1xie h ASN 309 N 0.39 0.74 -0.18 -3.80 2.35 -0.81 0.12 115.58 114.39 1xie h ASN 309 Ca 0.18 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1xie h ASN 309 Cb 0.11 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1xie h ASN 309 CO -0.15 0.96 -0.03 0.22 -1.65 0.00 0.00 177.43 176.78 1xie h TYR 310 N 0.63 -0.08 -0.57 1.19 5.03 -1.22 -0.77 116.97 121.19 1xie h TYR 310 Ca 0.09 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.32 1xie h TYR 310 Cb 0.74 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 1xie h TYR 310 CO 0.04 -0.07 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.72 1xie h LEU 311 N 0.01 0.98 0.04 2.82 3.38 -0.50 -0.64 115.31 121.41 1xie h LEU 311 Ca 0.09 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xie h LEU 311 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xie h LEU 311 CO -0.18 1.05 -0.02 0.40 0.09 0.00 0.00 178.44 179.78 1xie h ILE 312 N 0.91 0.97 0.00 1.22 2.04 -0.68 -1.56 117.51 120.41 1xie h ILE 312 Ca 0.16 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 1xie h ILE 312 Cb 0.56 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1xie h ILE 312 CO 0.03 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.78 1xie h LEU 313 N -0.06 0.00 0.16 1.44 4.07 -0.88 -1.66 115.31 118.38 1xie h LEU 313 Ca -0.01 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.96 1xie h LEU 313 Cb 0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1xie h LEU 313 CO 0.01 0.34 -0.17 0.50 -1.08 0.00 0.00 178.44 178.04 1xie h LYS 314 N 0.00 -0.35 -0.19 1.13 3.64 -1.01 -0.01 116.57 119.78 1xie h LYS 314 Ca -0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1xie h LYS 314 Cb 0.60 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1xie h LYS 314 CO 0.04 -0.23 -0.06 1.49 -2.27 0.00 0.00 179.45 178.42 1xie h GLU 315 N -0.36 -0.02 -0.25 1.90 4.81 -0.54 -2.19 114.58 117.91 1xie h GLU 315 Ca 0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1xie h GLU 315 Cb 0.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1xie h GLU 315 CO -0.05 -0.02 -0.12 0.00 -0.73 0.00 0.00 179.01 178.09 1xie h ARG 316 N -0.03 0.42 -0.18 1.92 2.47 -1.05 -1.62 114.38 116.31 1xie h ARG 316 Ca 0.10 -0.11 -0.21 0.00 -1.26 0.00 0.00 59.98 58.49 1xie h ARG 316 Cb 0.17 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1xie h ARG 316 CO -0.21 0.54 -0.73 0.00 0.56 0.00 0.00 179.97 180.14 1xie h ALA 317 N 1.49 0.36 -0.73 0.04 0.00 -0.92 -1.49 119.26 118.00 1xie h ALA 317 Ca 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1xie h ALA 317 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xie h ALA 317 CO 0.03 0.69 0.28 0.00 0.00 0.00 0.00 179.25 180.24 1xie h ALA 318 N 0.60 0.96 -0.09 0.00 0.00 -1.33 -1.58 119.26 117.83 1xie h ALA 318 Ca -0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1xie h ALA 318 Cb 1.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xie h ALA 318 CO 0.15 0.60 -0.63 0.00 0.00 0.00 0.00 179.25 179.36 1xie h ALA 319 N 1.14 0.75 -0.32 0.00 0.00 -1.08 -0.10 119.26 119.65 1xie h ALA 319 Ca 0.24 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xie h ALA 319 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xie h ALA 319 CO -0.02 0.74 0.14 0.35 0.00 0.00 0.00 179.25 180.46 1xie h PHE 320 N 0.24 0.47 0.00 0.00 3.57 -0.93 -2.35 116.94 117.93 1xie h PHE 320 Ca -0.01 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1xie h PHE 320 Cb 1.17 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1xie h PHE 320 CO 0.03 0.42 -0.16 0.00 -2.23 0.00 0.00 178.31 176.38 1xie h ARG 321 N 0.37 0.00 -0.00 1.11 2.47 -1.00 -2.57 114.38 114.76 1xie h ARG 321 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1xie h ARG 321 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1xie h ARG 321 CO -0.01 0.16 -0.10 0.00 0.56 0.00 0.00 179.97 180.57 1xie n ALA 322 N -2.16 2.60 -2.68 0.04 0.00 -0.08 -4.72 120.51 113.52 1xie n ALA 322 Ca 0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1xie n ALA 322 Cb 0.49 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1xie n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xie s ASP 323 N -2.96 7.08 0.30 0.00 -1.08 -0.91 -4.91 116.67 114.18 1xie s ASP 323 Ca 0.14 1.33 0.04 0.00 -0.52 0.00 0.00 52.55 53.54 1xie s ASP 323 Cb 0.19 -2.50 0.64 0.00 -1.46 0.00 0.00 42.92 39.79 1xie s ASP 323 CO 0.56 -0.41 1.84 -0.65 0.52 0.00 0.00 175.17 177.02 1xie h PRO 324 N 7.21 0.87 -0.17 4.34 0.11 -1.89 0.77 132.00 143.23 1xie h PRO 324 Ca -0.30 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1xie h PRO 324 Cb 1.14 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1xie h PRO 324 CO 0.84 0.58 -0.27 1.49 -0.21 0.00 0.00 178.00 180.43 1xie h GLU 325 N 0.90 0.32 -0.12 1.05 4.81 -1.94 -1.20 114.58 118.40 1xie h GLU 325 Ca 0.50 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1xie h GLU 325 Cb 0.60 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1xie h GLU 325 CO -0.27 0.58 -0.17 0.28 -0.73 0.00 0.00 179.01 178.70 1xie h VAL 326 N 0.29 1.37 -0.44 0.32 2.07 -1.19 -0.86 116.25 117.80 1xie h VAL 326 Ca 0.04 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1xie h VAL 326 Cb 0.64 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1xie h VAL 326 CO 0.05 0.40 0.18 1.56 0.02 0.00 0.00 177.57 179.78 1xie h GLN 327 N -0.07 0.63 -0.01 1.57 4.20 -1.00 -0.06 115.11 120.37 1xie h GLN 327 Ca 0.01 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1xie h GLN 327 Cb 0.72 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1xie h GLN 327 CO 0.04 0.52 -0.10 1.49 -0.67 0.00 0.00 178.83 180.11 1xie h GLU 328 N 0.63 -0.17 -0.72 1.46 4.81 -1.19 -2.66 114.58 116.73 1xie h GLU 328 Ca 0.15 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.50 1xie h GLU 328 Cb 0.12 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1xie h GLU 328 CO -0.02 -0.11 0.35 0.00 -0.73 0.00 0.00 179.01 178.51 1xie h ALA 329 N 0.81 1.01 -0.12 2.92 0.00 -0.40 0.11 119.26 123.58 1xie h ALA 329 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xie h ALA 329 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xie h ALA 329 CO -0.11 -0.07 -0.14 -0.07 0.00 0.00 0.00 179.25 178.86 1xie h LEU 330 N 0.58 0.18 -0.69 0.00 3.38 -0.90 -0.80 115.31 117.07 1xie h LEU 330 Ca 0.36 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 1xie h LEU 330 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xie h LEU 330 CO -0.29 0.35 -0.56 0.03 0.09 0.00 0.00 178.44 178.06 1xie h ARG 331 N 0.19 0.29 0.00 1.13 3.08 -1.05 -0.88 114.38 117.13 1xie h ARG 331 Ca 0.04 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1xie h ARG 331 Cb 0.37 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1xie h ARG 331 CO 0.02 0.77 -0.31 0.00 -1.07 0.00 0.00 179.97 179.38 1xie h ALA 332 N 1.20 1.47 -0.17 0.04 0.00 -0.06 0.21 119.26 121.95 1xie h ALA 332 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xie h ALA 332 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xie h ALA 332 CO 0.09 0.39 0.00 0.43 0.00 0.00 0.00 179.25 180.16 1xie n SER 333 N -4.15 2.16 -1.94 0.00 7.64 -0.40 -4.75 113.62 112.19 1xie n SER 333 Ca -0.02 -1.77 -0.16 0.00 1.01 0.00 0.00 58.87 57.93 1xie n SER 333 Cb 0.36 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1xie n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xie n ARG 334 N 0.65 -1.68 0.21 1.43 3.00 0.06 -4.91 116.66 115.43 1xie n ARG 334 Ca 0.17 0.78 0.06 0.00 -0.01 0.00 0.00 57.85 58.85 1xie n ARG 334 Cb 0.42 -5.19 0.46 0.00 0.00 0.00 0.00 32.46 28.15 1xie n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xie h LEU 335 N -0.16 0.00 -1.02 0.55 -0.00 -1.41 -1.10 115.31 112.17 1xie h LEU 335 Ca -0.39 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.58 1xie h LEU 335 Cb 1.29 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.87 1xie h LEU 335 CO 0.45 0.30 0.64 -2.24 -0.00 0.00 0.00 178.44 177.59 1xie h ASP 336 N 0.00 0.99 1.01 -0.43 2.03 -1.89 -2.67 116.42 115.46 1xie h ASP 336 Ca -0.00 0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 56.19 1xie h ASP 336 Cb 0.62 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.92 1xie h ASP 336 CO 0.04 0.59 -0.62 -0.33 -1.03 0.00 0.00 179.24 177.89 1xie h GLU 337 N 1.10 0.00 0.00 4.15 5.08 -1.61 -2.72 114.58 120.57 1xie h GLU 337 Ca 0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1xie h GLU 337 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xie h GLU 337 CO -0.21 0.62 -0.30 1.25 -1.00 0.00 0.00 179.01 179.38 1xie h LEU 338 N 0.00 0.00 0.00 1.33 5.85 -0.99 -2.28 115.31 119.23 1xie h LEU 338 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xie h LEU 338 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1xie h LEU 338 CO 0.08 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 1xie n ALA 339 N -2.47 2.45 -2.59 1.25 0.00 -1.03 -4.81 120.51 113.30 1xie n ALA 339 Ca -0.02 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 1xie n ALA 339 Cb 0.35 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1xie n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xie s ARG 340 N -2.63 3.69 0.52 0.00 0.52 -0.86 -5.05 118.95 115.13 1xie s ARG 340 Ca 0.26 0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.29 1xie s ARG 340 Cb 0.20 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 1xie s ARG 340 CO 0.47 0.45 1.39 -2.30 0.02 0.00 0.00 175.30 175.32 1xie n PRO 341 N 0.16 1.90 -0.09 3.54 -0.02 -1.26 -4.90 135.00 134.33 1xie n PRO 341 Ca -0.03 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1xie n PRO 341 Cb 0.52 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1xie n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xie h THR 342 N 1.73 1.30 -1.53 3.45 2.02 -1.94 -3.40 112.91 114.54 1xie h THR 342 Ca -0.51 -1.52 -0.42 0.00 0.77 0.00 0.00 66.41 64.73 1xie h THR 342 Cb 1.29 1.63 -0.29 0.00 -1.74 0.00 0.00 68.15 69.04 1xie h THR 342 CO 0.58 0.49 -0.83 0.00 0.37 0.00 0.00 175.52 176.13 1xie n ALA 343 N -2.51 0.97 1.51 6.16 0.00 -1.26 -4.90 120.51 120.47 1xie n ALA 343 Ca -0.04 -2.45 0.15 0.00 0.00 0.00 0.00 53.44 51.09 1xie n ALA 343 Cb 0.50 -1.03 0.71 0.00 0.00 0.00 0.00 19.45 19.63 1xie n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xie n ALA 344 N 2.20 2.66 0.42 0.00 0.00 -1.26 -1.66 120.51 122.87 1xie n ALA 344 Ca 0.21 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1xie n ALA 344 Cb 0.54 -1.41 0.44 0.00 0.00 0.00 0.00 19.45 19.03 1xie n ALA 344 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1xie h ASP 345 N 0.37 0.00 -4.87 0.00 2.03 -1.96 -3.49 116.42 108.50 1xie h ASP 345 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xie h ASP 345 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1xie h ASP 345 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1xie n GLY 346 N 0.63 0.92 0.13 7.15 0.00 -0.67 -4.35 105.19 109.01 1xie n GLY 346 Ca 0.03 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 1xie n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xie h LEU 347 N 0.00 0.35 -0.81 0.99 6.46 -1.94 -0.88 115.31 119.47 1xie h LEU 347 Ca 0.00 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1xie h LEU 347 Cb 0.00 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.79 1xie h LEU 347 CO 0.00 0.57 0.52 -0.61 -0.62 0.00 0.00 178.44 178.30 1xie h GLN 348 N 0.11 0.99 -0.44 1.25 5.75 -1.99 0.33 115.11 121.12 1xie h GLN 348 Ca 0.06 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1xie h GLN 348 Cb 0.39 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1xie h GLN 348 CO 0.01 0.65 0.24 0.00 -2.65 0.00 0.00 178.83 177.08 1xie h ALA 349 N 1.34 0.56 -0.81 3.38 0.00 -1.70 -1.44 119.26 120.59 1xie h ALA 349 Ca 0.32 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1xie h ALA 349 Cb -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 1xie h ALA 349 CO -0.11 0.09 0.42 1.25 0.00 0.00 0.00 179.25 180.90 1xie h LEU 350 N 0.57 0.52 -0.83 0.00 5.85 -0.63 -1.16 115.31 119.65 1xie h LEU 350 Ca 0.15 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1xie h LEU 350 Cb 0.06 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xie h LEU 350 CO -0.02 0.25 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.17 1xie h LEU 351 N 0.64 0.00 -1.32 2.25 3.38 -0.23 -2.36 115.31 117.67 1xie h LEU 351 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1xie h LEU 351 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xie h LEU 351 CO -0.33 0.08 -0.24 0.47 0.09 0.00 0.00 178.44 178.52 1xie n ASP 352 N -3.16 2.29 -4.51 -0.43 8.00 -0.61 -4.78 116.55 113.35 1xie n ASP 352 Ca 0.02 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 1xie n ASP 352 Cb 0.43 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 1xie n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xie s ASP 353 N -2.26 6.19 0.55 -2.24 -1.08 -0.47 -4.87 116.67 112.49 1xie s ASP 353 Ca 0.24 -0.76 0.25 0.00 -0.52 0.00 0.00 52.55 51.77 1xie s ASP 353 Cb 0.19 -2.50 1.48 0.00 -1.46 0.00 0.00 42.92 40.63 1xie s ASP 353 CO 0.45 -1.64 2.05 0.03 0.52 0.00 0.00 175.17 176.57 1xie h ARG 354 N 9.80 0.00 0.00 4.34 3.08 -1.86 -1.40 114.38 128.34 1xie h ARG 354 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1xie h ARG 354 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xie h ARG 354 CO 1.24 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 179.01 1xie n SER 355 N -4.15 0.00 0.02 7.04 3.41 -1.26 0.34 113.62 119.03 1xie n SER 355 Ca 0.05 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1xie n SER 355 Cb 0.43 -0.50 0.13 0.00 -0.26 0.00 0.00 64.21 64.01 1xie n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xie n ALA 356 N -1.50 3.46 0.00 7.33 0.00 -0.53 -3.73 120.51 125.55 1xie n ALA 356 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xie n ALA 356 Cb 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1xie n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xie n PHE 357 N -1.78 -1.59 -0.21 0.00 7.35 -0.87 -4.80 117.46 115.57 1xie n PHE 357 Ca 0.04 0.02 0.12 0.00 -0.76 0.00 0.00 57.45 56.87 1xie n PHE 357 Cb 0.39 0.54 0.43 0.00 0.35 0.00 0.00 39.48 41.19 1xie n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1xie h GLU 358 N 0.00 0.57 0.00 -4.13 3.07 -1.77 -1.76 114.58 110.56 1xie h GLU 358 Ca 0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1xie h GLU 358 Cb 0.00 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 27.72 1xie h GLU 358 CO 0.00 0.38 -0.40 0.39 -1.40 0.00 0.00 179.01 177.98 1xie n GLU 359 N -4.51 0.83 -2.99 2.33 1.02 0.15 -4.97 120.64 112.51 1xie n GLU 359 Ca 0.15 -2.26 -0.41 0.00 -0.02 0.00 0.00 57.16 54.62 1xie n GLU 359 Cb 0.45 -1.05 -0.05 0.00 -0.02 0.00 0.00 31.44 30.77 1xie n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1xie s PHE 360 N -1.80 3.28 -0.86 -0.32 5.36 -0.66 -4.84 117.98 118.14 1xie s PHE 360 Ca 0.26 0.96 -0.25 0.00 -0.96 0.00 0.00 56.93 56.93 1xie s PHE 360 Cb 0.25 -2.99 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 1xie s PHE 360 CO -0.03 -0.40 1.35 0.34 -1.46 0.00 0.00 175.22 175.02 1xie s ASP 361 N 1.44 6.31 0.19 6.13 -1.08 -1.26 -4.89 116.67 123.50 1xie s ASP 361 Ca 0.31 -0.90 -0.06 0.00 -0.52 0.00 0.00 52.55 51.38 1xie s ASP 361 Cb -0.15 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 38.85 1xie s ASP 361 CO 0.09 -1.68 1.54 -0.37 0.52 0.00 0.00 175.17 175.26 1xie h VAL 362 N 6.36 1.29 -0.86 1.11 -1.51 -1.95 -2.92 116.25 117.76 1xie h VAL 362 Ca -0.07 -1.56 0.06 0.00 -1.23 0.00 0.00 66.70 63.90 1xie h VAL 362 Cb 1.03 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 31.60 1xie h VAL 362 CO 1.34 0.51 0.53 0.44 -1.23 0.00 0.00 177.57 179.16 1xie h ASP 363 N 0.60 0.83 -0.41 4.19 3.32 -1.98 0.57 116.42 123.55 1xie h ASP 363 Ca 0.05 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1xie h ASP 363 Cb 0.94 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1xie h ASP 363 CO 0.09 0.53 -0.05 0.00 -1.72 0.00 0.00 179.24 178.08 1xie h ALA 364 N 1.41 0.56 -0.55 3.45 0.00 -1.95 -1.60 119.26 120.58 1xie h ALA 364 Ca 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xie h ALA 364 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xie h ALA 364 CO -0.18 0.39 0.18 0.00 0.00 0.00 0.00 179.25 179.64 1xie h ALA 365 N 0.87 0.72 -0.08 0.00 0.00 -1.44 -2.84 119.26 116.48 1xie h ALA 365 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xie h ALA 365 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xie h ALA 365 CO 0.03 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.56 1xie h ALA 366 N 1.04 1.68 0.00 0.00 0.00 -0.75 -2.16 119.26 119.06 1xie h ALA 366 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xie h ALA 366 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xie h ALA 366 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1xie h ALA 367 N 1.78 1.00 -2.63 0.00 0.00 -1.04 -3.44 119.26 114.92 1xie h ALA 367 Ca 0.03 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.41 1xie h ALA 367 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xie h ALA 367 CO 0.01 0.00 0.57 1.03 0.00 0.00 0.00 179.25 180.86 1xie s ARG 368 N -3.36 4.48 0.50 0.00 0.52 -0.82 -5.00 118.95 115.27 1xie s ARG 368 Ca 0.05 1.87 -0.20 0.00 -0.52 0.00 0.00 55.73 56.93 1xie s ARG 368 Cb 0.09 -3.25 -0.08 0.00 0.52 0.00 0.00 34.95 32.23 1xie s ARG 368 CO 0.48 -0.13 1.06 0.20 0.02 0.00 0.00 175.30 176.94 1xie s GLY 369 N 0.29 2.55 0.01 -3.53 0.00 -1.26 -4.95 107.32 100.43 1xie s GLY 369 Ca 0.54 0.66 0.26 0.00 0.00 0.00 0.00 44.72 46.18 1xie s GLY 369 CO 0.35 0.99 1.56 1.03 0.00 0.00 0.00 173.10 177.04 1xie n MET 370 N -1.02 0.01 -2.36 2.90 0.00 -1.26 -4.95 117.12 110.45 1xie n MET 370 Ca 0.10 0.01 -0.19 0.00 0.00 0.00 0.00 57.70 57.61 1xie n MET 370 Cb 0.52 -1.51 -0.01 0.00 0.00 0.00 0.00 33.22 32.22 1xie n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xie n ALA 371 N -1.52 -0.63 -0.02 3.04 0.00 -1.26 -4.23 120.51 115.89 1xie n ALA 371 Ca 0.06 0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 1xie n ALA 371 Cb 0.34 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1xie n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xie h PHE 372 N 0.00 0.94 -0.46 0.00 0.04 -1.96 -3.12 116.94 112.39 1xie h PHE 372 Ca -0.46 -0.38 -0.03 0.00 2.80 0.00 0.00 57.97 59.90 1xie h PHE 372 Cb 1.34 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 1xie h PHE 372 CO 0.58 1.19 0.14 0.93 -0.60 0.00 0.00 178.31 180.56 1xie h GLU 373 N 0.52 0.67 -0.37 1.51 4.39 -1.98 0.82 114.58 120.14 1xie h GLU 373 Ca -0.02 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 1xie h GLU 373 Cb 1.28 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1xie h GLU 373 CO 0.14 0.59 -0.41 -0.09 -1.16 0.00 0.00 179.01 178.07 1xie h ARG 374 N 0.66 0.93 -0.86 2.33 2.43 -1.97 -0.43 114.38 117.47 1xie h ARG 374 Ca 0.15 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1xie h ARG 374 Cb 0.20 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1xie h ARG 374 CO -0.01 1.16 0.51 1.25 -1.51 0.00 0.00 179.97 181.36 1xie h LEU 375 N 0.75 1.04 0.01 3.80 5.85 -1.46 -1.40 115.31 123.90 1xie h LEU 375 Ca 0.05 -0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.48 1xie h LEU 375 Cb 1.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1xie h LEU 375 CO 0.10 0.81 -1.06 -0.78 -0.34 0.00 0.00 178.44 177.16 1xie h ASP 376 N 1.19 0.14 0.14 1.25 3.58 -0.47 -1.45 116.42 120.80 1xie h ASP 376 Ca 0.31 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1xie h ASP 376 Cb -0.03 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1xie h ASP 376 CO -0.06 1.10 -0.38 -0.61 -2.88 0.00 0.00 179.24 176.42 1xie h GLN 377 N 0.03 0.33 -0.94 0.28 5.75 -0.71 -0.51 115.11 119.33 1xie h GLN 377 Ca -0.05 -0.15 0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1xie h GLN 377 Cb 1.81 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 30.28 1xie h GLN 377 CO 0.15 0.67 0.60 -0.07 -2.65 0.00 0.00 178.83 177.53 1xie h LEU 378 N 0.28 0.85 -0.82 -2.39 3.38 -0.79 0.15 115.31 115.97 1xie h LEU 378 Ca 0.03 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1xie h LEU 378 Cb 0.80 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1xie h LEU 378 CO 0.06 0.48 -0.14 0.00 0.09 0.00 0.00 178.44 178.93 1xie h ALA 379 N 1.55 1.00 -0.09 1.53 0.00 -0.85 -1.43 119.26 120.97 1xie h ALA 379 Ca 0.45 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xie h ALA 379 Cb 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xie h ALA 379 CO -0.21 0.59 0.05 1.98 0.00 0.00 0.00 179.25 181.66 1xie h MET 380 N 0.65 0.13 -0.07 0.00 1.85 -0.56 -1.27 114.93 115.65 1xie h MET 380 Ca 0.11 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 1xie h MET 380 Cb 0.61 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 1xie h MET 380 CO 0.04 0.16 -0.21 -0.44 -0.40 0.00 0.00 176.91 176.06 1xie h ASP 381 N 0.06 0.11 -0.00 1.39 3.32 -0.64 -1.84 116.42 118.81 1xie h ASP 381 Ca 0.03 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xie h ASP 381 Cb 0.07 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1xie h ASP 381 CO -0.01 0.34 -0.00 0.45 -1.72 0.00 0.00 179.24 178.30 1xie h HIS 382 N 0.11 0.01 -0.32 4.55 3.86 -1.16 0.38 115.15 122.58 1xie h HIS 382 Ca 0.02 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1xie h HIS 382 Cb 0.45 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1xie h HIS 382 CO 0.00 0.44 0.21 1.25 0.86 0.00 0.00 177.93 180.70 1xie h LEU 383 N -0.43 0.28 -0.85 2.43 5.85 -0.95 -2.65 115.31 118.99 1xie h LEU 383 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xie h LEU 383 Cb 0.44 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xie h LEU 383 CO 0.00 0.20 -0.16 0.18 -0.34 0.00 0.00 178.44 178.31 1xie n LEU 384 N -4.49 1.49 -0.50 2.25 4.77 -0.72 -4.90 117.00 114.90 1xie n LEU 384 Ca 0.03 -0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 55.49 1xie n LEU 384 Cb 0.15 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xie n LEU 384 CO 0.35 0.26 -0.06 0.61 -1.33 0.00 0.00 177.39 177.22 1xie n GLY 385 N 1.29 0.23 2.90 -0.72 0.00 -0.59 -4.99 105.19 103.31 1xie n GLY 385 Ca 0.15 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1xie n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xie n ALA 386 N -1.02 4.68 -0.59 4.61 0.00 0.12 -5.03 120.51 123.29 1xie n ALA 386 Ca -0.05 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.72 1xie n ALA 386 Cb 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1xie n ALA 386 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04