#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3l s GLU 3 N 0.00 4.10 0.70 0.00 2.02 -1.26 -4.96 118.70 119.30 1i3l s GLU 3 Ca 0.00 0.50 -0.03 0.00 0.02 0.00 0.00 54.97 55.46 1i3l s GLU 3 Cb 0.00 -3.28 0.10 0.00 0.10 0.00 0.00 34.13 31.05 1i3l s GLU 3 CO 0.00 0.54 0.98 0.15 0.02 0.00 0.00 175.26 176.94 1i3l s LYS 4 N -0.63 1.87 -0.12 1.61 -0.14 -0.91 -4.67 119.74 116.74 1i3l s LYS 4 Ca 0.25 -0.82 0.02 0.00 -1.36 0.00 0.00 55.97 54.06 1i3l s LYS 4 Cb -0.17 -2.29 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 1i3l s LYS 4 CO 0.14 -1.33 -0.18 0.08 -0.76 0.00 0.00 175.35 173.30 1i3l s VAL 5 N -3.14 1.71 -0.00 3.17 1.01 -0.63 0.20 120.40 122.72 1i3l s VAL 5 Ca 0.64 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1i3l s VAL 5 Cb -0.07 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1i3l s VAL 5 CO 0.44 0.48 0.75 -0.22 0.00 0.00 0.00 175.10 176.55 1i3l s LEU 6 N 0.98 4.40 -0.28 3.92 2.96 -0.50 -1.36 118.68 128.80 1i3l s LEU 6 Ca -0.05 1.36 0.03 0.00 -0.22 0.00 0.00 54.13 55.24 1i3l s LEU 6 Cb -0.15 -3.19 0.07 0.00 0.50 0.00 0.00 46.19 43.42 1i3l s LEU 6 CO -0.03 -0.05 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.20 1i3l s VAL 7 N 0.31 2.27 0.26 1.68 1.01 0.56 -0.30 120.40 126.19 1i3l s VAL 7 Ca 0.39 -1.76 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 1i3l s VAL 7 Cb -0.19 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1i3l s VAL 7 CO 0.21 -0.15 0.71 0.42 0.00 0.00 0.00 175.10 176.29 1i3l s THR 8 N 1.08 4.66 -1.77 3.92 -4.23 -0.44 -1.53 115.64 117.32 1i3l s THR 8 Ca -0.05 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1i3l s THR 8 Cb -0.20 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1i3l s THR 8 CO -0.05 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1i3l n GLY 9 N 0.25 0.58 0.02 3.99 0.00 0.26 -1.86 105.19 108.43 1i3l n GLY 9 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1i3l n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3l n GLY 10 N -0.87 -0.85 0.01 -0.02 0.00 -1.11 -2.81 105.19 99.54 1i3l n GLY 10 Ca -0.21 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1i3l n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3l n ALA 11 N -1.53 3.46 -1.00 4.61 0.00 -1.26 -2.04 120.51 122.74 1i3l n ALA 11 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1i3l n ALA 11 Cb 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1i3l n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3l n GLY 12 N 1.49 -1.79 0.24 0.00 0.00 -1.12 -4.59 105.19 99.42 1i3l n GLY 12 Ca 0.06 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 1i3l n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i3l h TYR 13 N -1.18 -0.60 -0.34 1.61 3.20 -1.88 0.14 116.97 117.91 1i3l h TYR 13 Ca 0.00 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1i3l h TYR 13 Cb 0.00 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1i3l h TYR 13 CO 0.00 -0.33 -0.44 0.82 -1.64 0.00 0.00 178.16 176.56 1i3l h ILE 14 N -0.55 1.27 -0.63 1.81 2.04 -1.95 -3.08 117.51 116.43 1i3l h ILE 14 Ca -0.05 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1i3l h ILE 14 Cb 0.44 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1i3l h ILE 14 CO 0.05 0.54 0.40 1.23 0.00 0.00 0.00 178.15 180.36 1i3l h GLY 15 N 0.77 0.89 1.02 5.37 0.00 -1.77 0.05 103.07 109.40 1i3l h GLY 15 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1i3l h GLY 15 CO 0.10 0.34 0.26 1.48 0.00 0.00 0.00 176.54 178.72 1i3l h SER 16 N 0.85 0.95 -0.56 0.19 4.64 -0.36 0.22 113.55 119.48 1i3l h SER 16 Ca 0.23 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1i3l h SER 16 Cb -0.07 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.75 1i3l h SER 16 CO -0.05 0.87 0.14 0.45 -0.87 0.00 0.00 176.83 177.37 1i3l h HIS 17 N 0.97 0.97 -0.37 4.77 -0.00 -1.40 -1.77 115.15 118.31 1i3l h HIS 17 Ca 0.22 -0.10 -0.16 0.00 -0.00 0.00 0.00 60.37 60.33 1i3l h HIS 17 Cb 0.23 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1i3l h HIS 17 CO 0.02 0.81 -0.41 1.15 -0.00 0.00 0.00 177.93 179.50 1i3l h THR 18 N 0.89 1.27 -0.79 2.45 2.02 -0.33 -1.98 112.91 116.45 1i3l h THR 18 Ca 0.19 -1.58 0.05 0.00 0.77 0.00 0.00 66.41 65.84 1i3l h THR 18 Cb 0.33 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1i3l h THR 18 CO 0.00 0.53 0.49 0.58 0.37 0.00 0.00 175.52 177.49 1i3l h VAL 19 N 0.75 1.07 -0.18 3.16 2.07 -0.29 0.13 116.25 122.95 1i3l h VAL 19 Ca 0.06 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1i3l h VAL 19 Cb 1.00 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1i3l h VAL 19 CO 0.10 0.17 0.06 0.25 0.02 0.00 0.00 177.57 178.17 1i3l h LEU 20 N 0.92 0.07 -1.02 2.57 6.46 -1.09 0.10 115.31 123.31 1i3l h LEU 20 Ca 0.33 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.09 1i3l h LEU 20 Cb 0.10 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1i3l h LEU 20 CO -0.14 0.07 0.42 -0.33 -0.62 0.00 0.00 178.44 177.84 1i3l h GLU 21 N 0.15 1.11 -0.16 1.25 4.39 -0.74 -1.31 114.58 119.27 1i3l h GLU 21 Ca 0.08 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1i3l h GLU 21 Cb 0.05 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1i3l h GLU 21 CO -0.08 0.82 0.08 -0.07 -1.16 0.00 0.00 179.01 178.60 1i3l h LEU 22 N 1.11 0.20 -0.80 1.33 3.38 -0.32 0.73 115.31 120.95 1i3l h LEU 22 Ca 0.28 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1i3l h LEU 22 Cb 0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1i3l h LEU 22 CO -0.04 0.26 0.51 -0.07 0.09 0.00 0.00 178.44 179.19 1i3l h LEU 23 N 0.13 0.85 -0.92 1.67 3.38 -0.51 -1.67 115.31 118.25 1i3l h LEU 23 Ca 0.05 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1i3l h LEU 23 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1i3l h LEU 23 CO -0.01 0.59 -0.42 -0.33 0.09 0.00 0.00 178.44 178.36 1i3l h GLU 24 N 1.00 0.25 -0.13 1.13 5.08 -1.02 -2.74 114.58 118.15 1i3l h GLU 24 Ca 0.32 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1i3l h GLU 24 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i3l h GLU 24 CO -0.11 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.53 1i3l n ALA 25 N -2.47 2.51 -0.28 3.43 0.00 0.23 -4.91 120.51 119.02 1i3l n ALA 25 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1i3l n ALA 25 Cb 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1i3l n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3l n GLY 26 N 0.85 0.66 3.88 0.00 0.00 -1.00 -5.05 105.19 104.53 1i3l n GLY 26 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1i3l n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3l s TYR 27 N -2.57 3.16 -0.39 1.61 2.02 -0.70 -5.02 117.35 115.46 1i3l s TYR 27 Ca 0.00 0.96 0.03 0.00 -0.37 0.00 0.00 57.07 57.69 1i3l s TYR 27 Cb 0.00 -3.21 0.11 0.00 -0.40 0.00 0.00 41.96 38.46 1i3l s TYR 27 CO 0.00 -1.42 0.13 -0.51 -1.57 0.00 0.00 175.55 172.18 1i3l s LEU 28 N -5.47 4.04 0.39 -1.29 1.43 -1.26 -4.49 118.68 112.03 1i3l s LEU 28 Ca 0.60 -2.35 -0.07 0.00 -1.03 0.00 0.00 54.13 51.28 1i3l s LEU 28 Cb -0.11 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 1i3l s LEU 28 CO 0.51 -0.34 0.70 -2.16 0.23 0.00 0.00 176.35 175.29 1i3l s PRO 29 N 0.65 3.65 -0.13 1.29 0.05 -1.26 -1.61 135.00 137.64 1i3l s PRO 29 Ca 0.13 0.21 0.00 0.00 0.05 0.00 0.00 61.00 61.39 1i3l s PRO 29 Cb -0.21 -2.48 0.02 0.00 0.05 0.00 0.00 34.50 31.88 1i3l s PRO 29 CO -0.08 -0.00 -0.12 0.08 0.05 0.00 0.00 177.00 176.93 1i3l s VAL 30 N -2.39 1.40 -0.07 -0.36 1.01 -0.46 -4.02 120.40 115.50 1i3l s VAL 30 Ca 0.47 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1i3l s VAL 30 Cb -0.10 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1i3l s VAL 30 CO 0.35 0.43 -0.13 -0.69 0.00 0.00 0.00 175.10 175.06 1i3l s VAL 31 N 1.45 3.15 0.08 2.92 1.01 0.58 -0.32 120.40 129.27 1i3l s VAL 31 Ca 0.03 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1i3l s VAL 31 Cb -0.13 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1i3l s VAL 31 CO -0.08 0.57 -0.20 0.27 0.00 0.00 0.00 175.10 175.66 1i3l s ILE 32 N -0.44 1.63 -0.12 2.22 -4.36 -0.58 -1.27 121.20 118.27 1i3l s ILE 32 Ca 0.06 -1.40 -0.30 0.00 -0.26 0.00 0.00 60.65 58.74 1i3l s ILE 32 Cb -0.12 -1.47 0.10 0.00 1.25 0.00 0.00 42.46 42.23 1i3l s ILE 32 CO 0.02 0.01 0.86 -0.62 0.24 0.00 0.00 174.94 175.45 1i3l s ASP 33 N -1.65 -0.50 0.00 4.36 2.15 -1.17 -0.57 116.67 119.29 1i3l s ASP 33 Ca 0.06 0.57 0.13 0.00 0.43 0.00 0.00 52.55 53.74 1i3l s ASP 33 Cb -0.10 0.45 0.32 0.00 -0.30 0.00 0.00 42.92 43.29 1i3l s ASP 33 CO 0.03 -0.44 1.24 -0.46 -0.17 0.00 0.00 175.17 175.37 1i3l n ASN 34 N 0.90 2.93 -0.58 -0.34 6.94 -1.13 -1.35 115.26 122.62 1i3l n ASN 34 Ca -0.14 -1.92 -0.08 0.00 -0.02 0.00 0.00 54.58 52.43 1i3l n ASN 34 Cb 0.57 -0.23 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 1i3l n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1i3l n PHE 35 N 0.73 0.00 -0.31 -2.53 3.01 -1.26 -4.87 117.46 112.23 1i3l n PHE 35 Ca 0.13 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.61 1i3l n PHE 35 Cb 0.44 -1.86 0.22 0.00 -0.01 0.00 0.00 39.48 38.27 1i3l n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1i3l h HIS 36 N 0.00 1.08 -0.57 1.38 2.76 -1.99 -3.26 115.15 114.56 1i3l h HIS 36 Ca -0.16 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.77 1i3l h HIS 36 Cb 0.73 -0.36 -0.38 0.00 1.55 0.00 0.00 27.41 28.95 1i3l h HIS 36 CO 0.36 0.60 -1.07 -1.71 -1.30 0.00 0.00 177.93 174.80 1i3l n ASN 37 N -4.47 1.25 -3.83 3.26 5.15 -1.26 -5.07 115.26 110.29 1i3l n ASN 37 Ca 0.13 -2.25 -0.12 0.00 -0.60 0.00 0.00 54.58 51.74 1i3l n ASN 37 Cb 0.15 -0.38 -0.12 0.00 -0.53 0.00 0.00 39.78 38.90 1i3l n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i3l s ALA 38 N -3.26 -0.34 -0.01 5.20 0.00 -1.23 -4.77 121.76 117.35 1i3l s ALA 38 Ca 0.26 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.25 1i3l s ALA 38 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1i3l s ALA 38 CO -0.02 -0.10 0.79 0.12 0.00 0.00 0.00 175.76 176.55 1i3l s PHE 39 N -0.22 3.65 0.14 0.00 5.36 -1.26 -4.69 117.98 120.96 1i3l s PHE 39 Ca -0.03 1.43 -0.30 0.00 -0.96 0.00 0.00 56.93 57.07 1i3l s PHE 39 Cb -0.02 -2.88 -0.07 0.00 -0.34 0.00 0.00 43.02 39.71 1i3l s PHE 39 CO 0.00 0.13 1.04 1.03 -1.46 0.00 0.00 175.22 175.97 1i3l s ARG 40 N 0.53 4.63 1.01 10.12 0.52 -1.26 -1.97 118.95 132.53 1i3l s ARG 40 Ca 0.41 1.59 -0.17 0.00 -0.52 0.00 0.00 55.73 57.04 1i3l s ARG 40 Cb -0.19 -3.33 0.24 0.00 0.52 0.00 0.00 34.95 32.18 1i3l s ARG 40 CO 0.22 0.12 1.25 0.41 0.02 0.00 0.00 175.30 177.32 1i3l n GLY 41 N 2.22 -1.77 0.19 -3.53 0.00 -1.05 -4.57 105.19 96.69 1i3l n GLY 41 Ca 0.03 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.44 1i3l n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3l h GLY 42 N -1.91 0.00 0.00 -0.02 0.00 -1.92 -3.45 103.07 95.77 1i3l h GLY 42 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1i3l h GLY 42 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1i3l n GLY 43 N 0.03 2.85 0.23 4.60 0.00 -1.26 -5.03 105.19 106.61 1i3l n GLY 43 Ca -0.01 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1i3l n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i3l h SER 44 N 0.00 0.76 -3.96 1.61 4.64 -2.02 -3.45 113.55 111.13 1i3l h SER 44 Ca 0.00 -0.38 -0.51 0.00 -0.47 0.00 0.00 61.79 60.43 1i3l h SER 44 Cb 0.00 -0.22 0.05 0.00 -0.31 0.00 0.00 62.40 61.93 1i3l h SER 44 CO 0.00 1.12 0.50 -0.76 -0.87 0.00 0.00 176.83 176.82 1i3l s LEU 45 N -8.56 4.13 0.57 5.97 1.43 -1.26 -4.85 118.68 116.10 1i3l s LEU 45 Ca -0.09 2.32 -0.20 0.00 -1.03 0.00 0.00 54.13 55.14 1i3l s LEU 45 Cb 0.11 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 1i3l s LEU 45 CO 0.86 -0.75 1.23 -2.84 0.23 0.00 0.00 176.35 175.08 1i3l s PRO 46 N -2.44 3.09 0.23 1.29 0.02 -1.26 -2.54 135.00 133.38 1i3l s PRO 46 Ca 0.59 1.90 -0.07 0.00 0.02 0.00 0.00 61.00 63.45 1i3l s PRO 46 Cb -0.30 -2.05 0.36 0.00 0.02 0.00 0.00 34.50 32.54 1i3l s PRO 46 CO 0.37 -1.13 1.74 1.49 -0.33 0.00 0.00 177.00 179.14 1i3l h GLU 47 N 1.13 0.43 -0.72 5.54 4.57 -1.64 -0.54 114.58 123.35 1i3l h GLU 47 Ca -0.50 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 57.76 1i3l h GLU 47 Cb 1.29 -0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 1i3l h GLU 47 CO 0.56 0.28 0.33 0.66 -1.18 0.00 0.00 179.01 179.66 1i3l h SER 48 N 0.44 0.39 1.10 1.04 4.64 -1.86 -1.30 113.55 118.00 1i3l h SER 48 Ca 0.36 0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.63 1i3l h SER 48 Cb 0.48 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1i3l h SER 48 CO -0.35 0.20 -0.58 -0.07 -0.87 0.00 0.00 176.83 175.16 1i3l h LEU 49 N 0.54 0.00 -0.61 5.97 3.38 -1.62 -1.62 115.31 121.36 1i3l h LEU 49 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 1i3l h LEU 49 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1i3l h LEU 49 CO -0.32 0.58 0.23 -0.09 0.09 0.00 0.00 178.44 178.93 1i3l h ARG 50 N 0.00 0.92 -0.45 1.13 2.43 -0.15 0.43 114.38 118.69 1i3l h ARG 50 Ca -0.01 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.88 1i3l h ARG 50 Cb 1.29 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1i3l h ARG 50 CO 0.08 0.79 -0.14 0.00 -1.51 0.00 0.00 179.97 179.18 1i3l h ARG 51 N 0.85 0.84 -0.62 0.20 3.08 -1.14 -2.25 114.38 115.35 1i3l h ARG 51 Ca 0.20 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1i3l h ARG 51 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1i3l h ARG 51 CO -0.01 0.93 0.20 0.28 -1.07 0.00 0.00 179.97 180.30 1i3l h VAL 52 N 0.75 1.23 -0.54 2.04 2.07 -0.81 0.14 116.25 121.14 1i3l h VAL 52 Ca 0.12 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1i3l h VAL 52 Cb 0.66 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1i3l h VAL 52 CO 0.05 0.30 0.30 -0.61 0.02 0.00 0.00 177.57 177.63 1i3l h GLN 53 N 0.91 0.75 -0.15 1.57 4.15 -0.48 -1.46 115.11 120.38 1i3l h GLN 53 Ca 0.21 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1i3l h GLN 53 Cb 0.24 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1i3l h GLN 53 CO -0.01 0.57 0.01 0.93 -1.93 0.00 0.00 178.83 178.40 1i3l h GLU 54 N 0.72 0.26 -0.59 1.69 5.08 -0.83 0.31 114.58 121.22 1i3l h GLU 54 Ca 0.19 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1i3l h GLU 54 Cb 0.04 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1i3l h GLU 54 CO -0.03 0.46 0.25 -0.07 -1.00 0.00 0.00 179.01 178.62 1i3l h LEU 55 N 0.03 0.29 0.00 1.33 3.38 -0.58 -3.04 115.31 116.72 1i3l h LEU 55 Ca 0.05 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1i3l h LEU 55 Cb 0.33 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1i3l h LEU 55 CO 0.01 0.18 -1.05 0.71 0.09 0.00 0.00 178.44 178.37 1i3l h THR 56 N 0.45 0.27 -0.27 0.22 1.35 -1.24 -3.48 112.91 110.22 1i3l h THR 56 Ca 0.29 -1.50 -0.12 0.00 -0.55 0.00 0.00 66.41 64.53 1i3l h THR 56 Cb 0.31 1.83 -0.05 0.00 -1.73 0.00 0.00 68.15 68.51 1i3l h THR 56 CO -0.26 0.16 -0.10 0.61 -0.25 0.00 0.00 175.52 175.67 1i3l n GLY 57 N 1.26 0.80 3.39 5.82 0.00 0.11 -5.01 105.19 111.57 1i3l n GLY 57 Ca -0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1i3l n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i3l s ARG 58 N -2.18 1.86 0.40 1.61 0.52 -1.18 -5.05 118.95 114.94 1i3l s ARG 58 Ca 0.00 -1.09 -0.24 0.00 -0.52 0.00 0.00 55.73 53.88 1i3l s ARG 58 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 1i3l s ARG 58 CO 0.00 0.52 1.05 -1.54 0.02 0.00 0.00 175.30 175.34 1i3l s SER 59 N -1.40 6.77 -0.24 0.23 1.04 -1.26 -4.41 113.70 114.43 1i3l s SER 59 Ca 0.13 2.03 -0.05 0.00 0.48 0.00 0.00 55.95 58.54 1i3l s SER 59 Cb -0.10 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 1i3l s SER 59 CO 0.04 -0.49 0.01 -0.69 0.98 0.00 0.00 173.24 173.09 1i3l s VAL 60 N -1.67 3.75 -0.29 5.02 1.01 -1.26 -4.95 120.40 122.01 1i3l s VAL 60 Ca 0.58 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 1i3l s VAL 60 Cb -0.22 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 1i3l s VAL 60 CO 0.27 0.37 0.81 -0.70 0.00 0.00 0.00 175.10 175.86 1i3l s GLU 61 N 1.53 4.03 0.03 2.72 2.12 -1.26 -5.02 118.70 122.85 1i3l s GLU 61 Ca 0.06 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.11 1i3l s GLU 61 Cb -0.15 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 1i3l s GLU 61 CO -0.00 -0.65 -0.07 0.12 -0.54 0.00 0.00 175.26 174.12 1i3l s PHE 62 N 2.96 0.59 -0.03 5.30 5.36 -1.26 -0.31 117.98 130.59 1i3l s PHE 62 Ca 0.34 -0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1i3l s PHE 62 Cb -0.14 -0.36 0.03 0.00 -0.34 0.00 0.00 43.02 42.20 1i3l s PHE 62 CO 0.11 -0.07 0.02 -1.21 -1.46 0.00 0.00 175.22 172.60 1i3l s GLU 63 N -1.26 0.20 -0.11 10.12 0.41 -0.39 -4.95 118.70 122.71 1i3l s GLU 63 Ca -0.08 0.15 -0.30 0.00 -0.41 0.00 0.00 54.97 54.33 1i3l s GLU 63 Cb -0.08 -0.48 -0.02 0.00 -1.78 0.00 0.00 34.13 31.77 1i3l s GLU 63 CO 0.00 -0.19 1.13 -2.00 -0.49 0.00 0.00 175.26 173.72 1i3l s GLU 64 N 1.28 4.34 -0.12 1.61 2.12 -1.26 -3.04 118.70 123.63 1i3l s GLU 64 Ca -0.06 1.55 -0.30 0.00 0.36 0.00 0.00 54.97 56.51 1i3l s GLU 64 Cb -0.13 -3.60 0.12 0.00 0.26 0.00 0.00 34.13 30.77 1i3l s GLU 64 CO -0.02 -0.49 0.94 1.41 -0.54 0.00 0.00 175.26 176.56 1i3l s MET 65 N 2.54 0.69 -0.13 4.30 1.75 -0.46 -4.91 119.30 123.07 1i3l s MET 65 Ca 0.52 0.08 -0.06 0.00 -1.25 0.00 0.00 55.69 54.98 1i3l s MET 65 Cb -0.21 0.32 -0.04 0.00 2.84 0.00 0.00 34.83 37.74 1i3l s MET 65 CO 0.17 -0.23 0.09 0.34 -0.65 0.00 0.00 175.02 174.74 1i3l s ASP 66 N -1.36 5.95 0.46 1.11 -1.08 -1.26 -2.84 116.67 117.64 1i3l s ASP 66 Ca -0.02 0.29 0.31 0.00 -0.52 0.00 0.00 52.55 52.62 1i3l s ASP 66 Cb -0.00 -1.91 1.48 0.00 -1.46 0.00 0.00 42.92 41.03 1i3l s ASP 66 CO 0.01 0.34 1.94 0.16 0.52 0.00 0.00 175.17 178.14 1i3l h ILE 67 N 4.26 0.00 -0.00 4.11 3.07 -1.97 -1.05 117.51 125.92 1i3l h ILE 67 Ca -0.49 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.70 1i3l h ILE 67 Cb 1.20 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1i3l h ILE 67 CO 0.61 0.00 -0.02 0.18 -1.05 0.00 0.00 178.15 177.87 1i3l n LEU 68 N -2.70 0.03 -4.49 0.16 4.77 -1.26 -4.61 117.00 108.90 1i3l n LEU 68 Ca -0.00 0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 1i3l n LEU 68 Cb 0.18 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1i3l n LEU 68 CO 0.20 0.01 1.13 -0.62 -1.33 0.00 0.00 177.39 176.77 1i3l s ASP 69 N -2.86 6.53 0.14 -1.43 -1.08 -0.40 -4.91 116.67 112.66 1i3l s ASP 69 Ca 0.19 -1.69 -0.20 0.00 -0.52 0.00 0.00 52.55 50.33 1i3l s ASP 69 Cb 0.19 -2.46 0.02 0.00 -1.46 0.00 0.00 42.92 39.21 1i3l s ASP 69 CO 0.51 -1.27 1.68 -0.61 0.52 0.00 0.00 175.17 176.00 1i3l h GLN 70 N 9.26 -0.06 -0.54 4.34 4.15 -1.85 -1.80 115.11 128.61 1i3l h GLN 70 Ca 0.11 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.60 1i3l h GLN 70 Cb 1.03 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 1i3l h GLN 70 CO 1.22 -0.04 0.23 0.78 -1.93 0.00 0.00 178.83 179.10 1i3l h GLY 71 N -0.06 0.75 1.01 2.39 0.00 -1.97 0.78 103.07 105.96 1i3l h GLY 71 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1i3l h GLY 71 CO -0.29 0.04 0.05 0.00 0.00 0.00 0.00 176.54 176.34 1i3l h ALA 72 N 1.34 0.69 -0.35 3.60 0.00 -1.87 -1.69 119.26 120.98 1i3l h ALA 72 Ca 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i3l h ALA 72 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i3l h ALA 72 CO -0.23 0.46 0.13 -0.07 0.00 0.00 0.00 179.25 179.54 1i3l h LEU 73 N 0.76 0.50 -0.24 0.00 3.38 -1.05 -0.65 115.31 118.01 1i3l h LEU 73 Ca 0.15 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1i3l h LEU 73 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1i3l h LEU 73 CO 0.02 0.55 0.14 1.56 0.09 0.00 0.00 178.44 180.79 1i3l h GLN 74 N 0.42 0.28 -0.96 1.13 4.20 -0.72 -1.36 115.11 118.11 1i3l h GLN 74 Ca 0.12 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.88 1i3l h GLN 74 Cb 0.21 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1i3l h GLN 74 CO -0.01 0.18 0.62 0.00 -0.67 0.00 0.00 178.83 178.96 1i3l h ARG 75 N 0.29 1.08 -0.28 1.46 3.08 -1.16 -0.83 114.38 118.01 1i3l h ARG 75 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1i3l h ARG 75 Cb -0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1i3l h ARG 75 CO -0.05 0.71 0.14 1.25 -1.07 0.00 0.00 179.97 180.95 1i3l h LEU 76 N 1.11 0.36 -1.50 3.04 5.85 -0.39 0.52 115.31 124.30 1i3l h LEU 76 Ca 0.42 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 1i3l h LEU 76 Cb 0.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1i3l h LEU 76 CO -0.16 0.37 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.79 1i3l h PHE 77 N 0.32 0.00 -0.22 1.25 -1.00 -0.94 -1.79 116.94 114.56 1i3l h PHE 77 Ca 0.10 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.69 1i3l h PHE 77 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1i3l h PHE 77 CO -0.02 0.26 -0.58 -0.22 -1.61 0.00 0.00 178.31 176.13 1i3l h LYS 78 N 0.00 0.78 -0.28 1.51 3.64 -0.74 -3.33 116.57 118.15 1i3l h LYS 78 Ca -0.00 -0.55 -0.16 0.00 -1.27 0.00 0.00 60.65 58.67 1i3l h LYS 78 Cb 0.47 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1i3l h LYS 78 CO 0.03 1.17 -0.48 -0.22 -2.27 0.00 0.00 179.45 177.68 1i3l h LYS 79 N 0.51 0.77 -5.97 1.90 3.64 -0.48 -3.46 116.57 113.48 1i3l h LYS 79 Ca -0.01 -0.45 -0.55 0.00 -1.27 0.00 0.00 60.65 58.37 1i3l h LYS 79 Cb 1.20 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 1i3l h LYS 79 CO 0.13 1.07 -0.50 0.71 -2.27 0.00 0.00 179.45 178.59 1i3l s TYR 80 N -4.19 2.63 -0.51 1.91 2.02 -0.71 -5.07 117.35 113.44 1i3l s TYR 80 Ca -0.09 -0.53 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1i3l s TYR 80 Cb 0.11 -1.90 0.13 0.00 -0.40 0.00 0.00 41.96 39.90 1i3l s TYR 80 CO 0.87 0.20 0.30 0.45 -1.57 0.00 0.00 175.55 175.79 1i3l s SER 81 N -3.91 5.07 0.21 2.29 0.15 -1.26 -4.74 113.70 111.51 1i3l s SER 81 Ca 0.41 -2.53 -0.24 0.00 0.70 0.00 0.00 55.95 54.29 1i3l s SER 81 Cb 0.02 -1.79 -0.08 0.00 -1.71 0.00 0.00 66.02 62.45 1i3l s SER 81 CO 0.23 -0.41 0.79 -0.36 1.20 0.00 0.00 173.24 174.69 1i3l s PHE 82 N 0.41 3.80 -0.32 3.44 2.99 -1.26 -2.15 117.98 124.89 1i3l s PHE 82 Ca 0.13 1.60 0.22 0.00 0.00 0.00 0.00 56.93 58.88 1i3l s PHE 82 Cb -0.22 -2.76 -0.22 0.00 0.00 0.00 0.00 43.02 39.82 1i3l s PHE 82 CO -0.04 0.42 0.70 0.00 -0.00 0.00 0.00 175.22 176.30 1i3l n MET 83 N 1.18 0.47 -3.59 0.44 0.00 0.13 -4.85 117.12 110.90 1i3l n MET 83 Ca -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 57.70 57.51 1i3l n MET 83 Cb 0.49 -1.56 -0.02 0.00 0.00 0.00 0.00 33.22 32.14 1i3l n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i3l s ALA 84 N -3.36 -1.81 -0.06 3.17 0.00 -1.24 -4.60 121.76 113.87 1i3l s ALA 84 Ca -0.02 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1i3l s ALA 84 Cb 0.14 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1i3l s ALA 84 CO 0.87 -0.81 -0.13 0.08 0.00 0.00 0.00 175.76 175.77 1i3l s VAL 85 N -3.08 1.14 -0.31 0.00 1.01 -0.71 -1.41 120.40 117.04 1i3l s VAL 85 Ca 0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1i3l s VAL 85 Cb -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1i3l s VAL 85 CO -0.05 0.35 0.06 -0.63 0.00 0.00 0.00 175.10 174.83 1i3l s ILE 86 N 0.49 3.63 -0.64 2.22 1.01 0.59 -0.51 121.20 127.98 1i3l s ILE 86 Ca -0.11 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.39 1i3l s ILE 86 Cb -0.14 -2.96 0.16 0.00 0.01 0.00 0.00 42.46 39.53 1i3l s ILE 86 CO 0.03 -0.03 0.60 -2.28 0.00 0.00 0.00 174.94 173.26 1i3l s HIS 87 N 1.41 3.44 -0.10 3.97 2.46 0.38 -1.33 115.29 125.51 1i3l s HIS 87 Ca -0.00 -1.54 0.20 0.00 0.47 0.00 0.00 55.06 54.19 1i3l s HIS 87 Cb -0.18 -3.81 -0.25 0.00 -0.13 0.00 0.00 32.58 28.21 1i3l s HIS 87 CO 0.01 -1.01 0.50 1.19 -2.47 0.00 0.00 174.74 172.96 1i3l n PHE 88 N 4.79 0.24 -1.69 3.88 3.72 -0.77 -2.74 117.46 124.88 1i3l n PHE 88 Ca -0.04 0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 57.00 1i3l n PHE 88 Cb 0.43 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 1i3l n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3l n ALA 89 N -2.38 1.97 0.00 4.37 0.00 -1.11 -4.78 120.51 118.58 1i3l n ALA 89 Ca -0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1i3l n ALA 89 Cb 0.73 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1i3l n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3l n GLY 90 N 3.39 -0.50 3.86 0.00 0.00 -1.26 -4.93 105.19 105.75 1i3l n GLY 90 Ca 0.15 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1i3l n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3l s LEU 91 N 0.00 4.43 0.53 0.99 1.43 -1.26 -5.03 118.68 119.76 1i3l s LEU 91 Ca 0.00 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1i3l s LEU 91 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1i3l s LEU 91 CO 0.00 0.36 0.03 -1.59 0.23 0.00 0.00 176.35 175.39 1i3l s LYS 92 N -1.10 2.23 0.08 1.70 -2.85 -1.26 -4.96 119.74 113.59 1i3l s LYS 92 Ca 0.20 -2.42 0.09 0.00 -1.00 0.00 0.00 55.97 52.83 1i3l s LYS 92 Cb -0.14 -1.56 -0.03 0.00 -2.06 0.00 0.00 37.83 34.04 1i3l s LYS 92 CO 0.09 -0.43 -0.24 0.00 0.10 0.00 0.00 175.35 174.87 1i3l s ALA 93 N -2.90 2.06 -0.52 0.59 0.00 -1.26 -4.83 121.76 114.90 1i3l s ALA 93 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1i3l s ALA 93 Cb -0.00 -0.36 0.46 0.00 0.00 0.00 0.00 23.12 23.22 1i3l s ALA 93 CO 0.02 0.46 1.95 -0.12 0.00 0.00 0.00 175.76 178.07 1i3l n MET 94 N 1.36 2.34 -1.14 0.00 1.56 -1.26 -4.72 117.12 115.27 1i3l n MET 94 Ca -0.18 -2.79 -0.05 0.00 -0.27 0.00 0.00 57.70 54.41 1i3l n MET 94 Cb 0.53 -2.09 -0.02 0.00 2.15 0.00 0.00 33.22 33.78 1i3l n MET 94 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i3l n GLY 95 N -0.73 0.62 0.14 -5.12 0.00 -1.26 -4.90 105.19 93.93 1i3l n GLY 95 Ca 0.54 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 1i3l n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i3l h GLU 96 N 0.25 0.42 -0.75 1.61 5.08 -1.90 -3.40 114.58 115.88 1i3l h GLU 96 Ca -0.10 -0.58 0.18 0.00 -1.00 0.00 0.00 59.36 57.86 1i3l h GLU 96 Cb 0.70 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 30.00 1i3l h GLU 96 CO 0.14 1.24 -0.08 -1.13 -1.00 0.00 0.00 179.01 178.18 1i3l n SER 97 N -4.06 -0.17 -0.16 1.42 3.41 -1.26 -0.00 113.62 112.79 1i3l n SER 97 Ca -0.13 1.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.90 1i3l n SER 97 Cb 0.83 -0.43 0.47 0.00 -0.26 0.00 0.00 64.21 64.82 1i3l n SER 97 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3l h VAL 98 N 0.00 0.84 0.00 -3.33 2.07 -1.96 -2.37 116.25 111.50 1i3l h VAL 98 Ca 0.41 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.67 1i3l h VAL 98 Cb 0.76 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1i3l h VAL 98 CO -0.74 0.09 -1.12 1.56 0.02 0.00 0.00 177.57 177.38 1i3l h GLN 99 N 0.48 0.00 -2.19 1.57 1.08 -0.71 -3.40 115.11 111.94 1i3l h GLN 99 Ca 0.35 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 57.00 1i3l h GLN 99 Cb 0.72 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.73 1i3l h GLN 99 CO -0.12 0.20 -0.82 0.36 -0.95 0.00 0.00 178.83 177.51 1i3l n LYS 100 N -2.87 2.42 -0.25 1.46 2.85 -0.91 -4.94 118.16 115.92 1i3l n LYS 100 Ca -0.05 -4.35 0.05 0.00 -1.05 0.00 0.00 58.31 52.91 1i3l n LYS 100 Cb 0.72 -2.04 0.18 0.00 -0.65 0.00 0.00 35.03 33.24 1i3l n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1i3l h PRO 101 N 3.13 0.38 0.00 -1.58 0.13 -1.74 -1.57 132.00 130.75 1i3l h PRO 101 Ca 0.12 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1i3l h PRO 101 Cb 0.67 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1i3l h PRO 101 CO 0.71 0.25 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.63 1i3l h LEU 102 N 0.39 0.00 -0.41 1.56 3.38 -1.92 0.87 115.31 119.19 1i3l h LEU 102 Ca 0.41 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.22 1i3l h LEU 102 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1i3l h LEU 102 CO -0.43 0.04 -0.35 0.44 0.09 0.00 0.00 178.44 178.23 1i3l h ASP 103 N 0.00 1.01 -0.27 -0.43 3.45 -1.68 0.41 116.42 118.92 1i3l h ASP 103 Ca -0.00 -0.45 -0.08 0.00 0.43 0.00 0.00 57.03 56.93 1i3l h ASP 103 Cb 0.07 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1i3l h ASP 103 CO 0.00 1.25 -0.14 1.88 -1.57 0.00 0.00 179.24 180.66 1i3l h TYR 104 N 0.78 0.66 -0.81 4.55 -1.99 -1.23 -0.93 116.97 118.00 1i3l h TYR 104 Ca 0.07 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 1i3l h TYR 104 Cb 0.95 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.49 1i3l h TYR 104 CO 0.06 0.82 0.35 1.88 -0.00 0.00 0.00 178.16 181.28 1i3l h TYR 105 N 0.30 1.21 0.37 4.88 0.99 -0.79 0.93 116.97 124.86 1i3l h TYR 105 Ca 0.06 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1i3l h TYR 105 Cb 0.66 -0.37 0.00 0.00 1.00 0.00 0.00 36.73 38.03 1i3l h TYR 105 CO 0.06 0.90 -0.18 -0.09 -0.00 0.00 0.00 178.16 178.85 1i3l h ARG 106 N 1.17 -0.48 -0.03 4.88 2.43 -0.84 -0.49 114.38 121.03 1i3l h ARG 106 Ca 0.27 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1i3l h ARG 106 Cb 0.18 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1i3l h ARG 106 CO -0.03 -0.21 0.01 0.28 -1.51 0.00 0.00 179.97 178.51 1i3l h VAL 107 N -1.04 1.20 0.07 0.20 2.07 -1.19 -0.95 116.25 116.61 1i3l h VAL 107 Ca -0.05 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1i3l h VAL 107 Cb 0.49 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1i3l h VAL 107 CO 0.08 0.16 -0.03 0.78 0.02 0.00 0.00 177.57 178.58 1i3l h ASN 108 N -0.20 -0.08 0.22 0.57 2.35 -0.96 -3.01 115.58 114.47 1i3l h ASN 108 Ca 0.01 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1i3l h ASN 108 Cb 0.25 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1i3l h ASN 108 CO 0.00 0.61 -0.11 0.25 -1.65 0.00 0.00 177.43 176.53 1i3l h LEU 109 N -0.91 -0.26 -1.36 1.61 5.85 -1.39 -2.39 115.31 116.46 1i3l h LEU 109 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i3l h LEU 109 Cb 0.59 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1i3l h LEU 109 CO 0.02 0.04 0.19 0.71 -0.34 0.00 0.00 178.44 179.05 1i3l h THR 110 N -0.74 1.16 -0.71 1.05 1.35 -0.76 -0.87 112.91 113.39 1i3l h THR 110 Ca -0.03 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 1i3l h THR 110 Cb 0.23 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 1i3l h THR 110 CO 0.05 0.19 0.40 1.23 -0.25 0.00 0.00 175.52 177.14 1i3l h GLY 111 N 0.76 1.05 1.54 5.82 0.00 -1.03 -1.40 103.07 109.81 1i3l h GLY 111 Ca 0.15 -0.46 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1i3l h GLY 111 CO -0.02 0.45 -0.76 -0.84 0.00 0.00 0.00 176.54 175.37 1i3l h THR 112 N 0.97 1.37 -0.54 4.70 2.02 -0.87 -1.17 112.91 119.39 1i3l h THR 112 Ca 0.25 -2.16 0.01 0.00 0.77 0.00 0.00 66.41 65.28 1i3l h THR 112 Cb 0.02 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1i3l h THR 112 CO -0.04 0.65 0.35 0.40 0.37 0.00 0.00 175.52 177.25 1i3l h ILE 113 N 0.30 1.12 -0.41 3.11 2.04 -0.94 0.13 117.51 122.85 1i3l h ILE 113 Ca -0.04 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1i3l h ILE 113 Cb 1.35 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1i3l h ILE 113 CO 0.13 0.13 0.24 -0.61 0.00 0.00 0.00 178.15 178.05 1i3l h GLN 114 N 0.70 0.55 -0.50 2.37 4.15 -1.18 0.94 115.11 122.13 1i3l h GLN 114 Ca 0.20 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1i3l h GLN 114 Cb -0.06 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1i3l h GLN 114 CO -0.06 0.41 0.31 1.25 -1.93 0.00 0.00 178.83 178.81 1i3l h LEU 115 N 0.53 0.60 -0.81 -2.39 5.85 -0.75 -0.60 115.31 117.74 1i3l h LEU 115 Ca 0.15 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1i3l h LEU 115 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1i3l h LEU 115 CO -0.03 0.47 0.41 -0.07 -0.34 0.00 0.00 178.44 178.88 1i3l h LEU 116 N 0.67 1.05 -0.39 2.25 3.38 -0.30 0.11 115.31 122.07 1i3l h LEU 116 Ca 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i3l h LEU 116 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1i3l h LEU 116 CO -0.03 0.88 0.22 -0.33 0.09 0.00 0.00 178.44 179.27 1i3l h GLU 117 N 1.14 0.54 -0.55 1.13 5.08 -0.43 -0.12 114.58 121.37 1i3l h GLU 117 Ca 0.28 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1i3l h GLU 117 Cb 0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1i3l h GLU 117 CO -0.04 0.43 0.05 0.82 -1.00 0.00 0.00 179.01 179.28 1i3l h ILE 118 N 0.51 1.25 0.39 3.13 2.04 -0.82 -0.93 117.51 123.08 1i3l h ILE 118 Ca 0.14 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1i3l h ILE 118 Cb 0.04 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1i3l h ILE 118 CO -0.02 0.36 -0.19 0.24 0.00 0.00 0.00 178.15 178.54 1i3l h MET 119 N 0.84 -0.51 -0.20 2.37 2.86 -0.54 -1.66 114.93 118.10 1i3l h MET 119 Ca 0.17 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1i3l h MET 119 Cb 0.42 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 1i3l h MET 119 CO 0.01 -0.31 -0.15 -0.22 1.06 0.00 0.00 176.91 177.31 1i3l h LYS 120 N -0.58 -0.15 -0.46 1.72 3.64 -0.82 0.66 116.57 120.59 1i3l h LYS 120 Ca -0.05 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1i3l h LYS 120 Cb 0.43 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1i3l h LYS 120 CO 0.09 -0.10 0.32 0.00 -2.27 0.00 0.00 179.45 177.49 1i3l h ALA 121 N 0.97 2.30 -0.66 5.00 0.00 -1.08 0.03 119.26 125.81 1i3l h ALA 121 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i3l h ALA 121 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1i3l h ALA 121 CO -0.30 -0.42 0.00 0.72 0.00 0.00 0.00 179.25 179.25 1i3l n HIS 122 N -4.43 1.04 -1.92 0.00 8.25 -0.59 -4.94 115.22 112.63 1i3l n HIS 122 Ca 0.08 -0.48 -0.11 0.00 -0.26 0.00 0.00 57.72 56.95 1i3l n HIS 122 Cb 0.46 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 1i3l n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3l n GLY 123 N 1.45 0.33 3.26 -1.41 0.00 -0.01 -5.00 105.19 103.81 1i3l n GLY 123 Ca 0.23 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1i3l n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3l s VAL 124 N -2.49 3.80 -0.29 1.61 1.01 0.12 -4.98 120.40 119.19 1i3l s VAL 124 Ca 0.00 -1.26 0.11 0.00 0.00 0.00 0.00 61.98 60.83 1i3l s VAL 124 Cb 0.00 -3.22 0.47 0.00 0.00 0.00 0.00 36.38 33.63 1i3l s VAL 124 CO 0.00 -0.28 1.17 0.29 0.00 0.00 0.00 175.10 176.28 1i3l n LYS 125 N 4.81 3.13 -3.93 2.72 5.02 -1.26 -3.93 118.16 124.72 1i3l n LYS 125 Ca -0.11 -4.01 -0.29 0.00 -2.02 0.00 0.00 58.31 51.88 1i3l n LYS 125 Cb 0.44 -2.10 -0.16 0.00 -0.02 0.00 0.00 35.03 33.18 1i3l n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1i3l s ASN 126 N -3.64 2.85 0.03 4.39 0.01 -1.25 -0.96 114.94 116.36 1i3l s ASN 126 Ca 0.45 -0.64 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 1i3l s ASN 126 Cb 0.39 -1.00 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 1i3l s ASN 126 CO 0.01 -0.15 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.13 1i3l s LEU 127 N 1.58 2.15 -0.20 0.60 2.96 -0.17 -1.74 118.68 123.86 1i3l s LEU 127 Ca 0.01 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1i3l s LEU 127 Cb -0.15 -0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.19 1i3l s LEU 127 CO -0.08 -0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.05 1i3l s VAL 128 N -0.82 2.10 -0.10 1.68 1.01 0.33 -0.02 120.40 124.59 1i3l s VAL 128 Ca -0.02 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1i3l s VAL 128 Cb -0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1i3l s VAL 128 CO 0.01 0.41 -0.12 0.12 0.00 0.00 0.00 175.10 175.51 1i3l s PHE 129 N 1.25 2.81 -0.72 5.22 2.19 -0.31 -0.47 117.98 127.95 1i3l s PHE 129 Ca 0.02 -0.42 -0.27 0.00 0.33 0.00 0.00 56.93 56.59 1i3l s PHE 129 Cb -0.15 -1.78 0.03 0.00 -1.31 0.00 0.00 43.02 39.81 1i3l s PHE 129 CO -0.11 -0.04 1.32 -1.12 1.83 0.00 0.00 175.22 177.10 1i3l s SER 130 N -0.06 6.12 0.06 6.13 0.01 -1.11 -1.90 113.70 122.95 1i3l s SER 130 Ca -0.02 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1i3l s SER 130 Cb -0.14 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.54 1i3l s SER 130 CO 0.04 -1.85 0.07 -0.24 0.41 0.00 0.00 173.24 171.67 1i3l n SER 131 N 9.56 0.60 -3.66 2.44 2.88 0.14 -4.96 113.62 120.62 1i3l n SER 131 Ca 0.05 -1.19 -0.13 0.00 -1.33 0.00 0.00 58.87 56.27 1i3l n SER 131 Cb 0.49 -0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1i3l n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i3l s SER 132 N -1.39 -0.30 0.24 -3.46 0.15 -1.26 -2.05 113.70 105.64 1i3l s SER 132 Ca 0.06 0.02 0.18 0.00 0.70 0.00 0.00 55.95 56.90 1i3l s SER 132 Cb -0.00 0.43 0.91 0.00 -1.71 0.00 0.00 66.02 65.65 1i3l s SER 132 CO 0.04 -0.67 1.54 0.00 1.20 0.00 0.00 173.24 175.35 1i3l n ALA 133 N 0.50 1.16 0.29 5.45 0.00 -0.36 -1.79 120.51 125.76 1i3l n ALA 133 Ca -0.18 0.14 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1i3l n ALA 133 Cb 0.60 -1.27 0.86 0.00 0.00 0.00 0.00 19.45 19.64 1i3l n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i3l h THR 134 N 0.00 0.26 0.00 0.00 1.35 -1.93 -1.86 112.91 110.74 1i3l h THR 134 Ca 0.00 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1i3l h THR 134 Cb 0.07 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1i3l h THR 134 CO 0.00 0.05 -0.02 -0.37 -0.25 0.00 0.00 175.52 174.93 1i3l h VAL 135 N 0.00 0.41 0.00 6.82 -1.51 -1.63 -0.63 116.25 119.71 1i3l h VAL 135 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1i3l h VAL 135 Cb 0.28 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1i3l h VAL 135 CO 0.01 0.02 0.00 1.88 -1.23 0.00 0.00 177.57 178.25 1i3l h TYR 136 N 0.00 0.00 -0.32 5.19 -1.99 -1.55 0.50 116.97 118.80 1i3l h TYR 136 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i3l h TYR 136 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1i3l h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1i3l n GLY 137 N 0.19 -1.09 3.65 3.88 0.00 -0.25 -4.59 105.19 106.99 1i3l n GLY 137 Ca 0.01 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1i3l n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3l s ASN 138 N -4.00 6.54 0.17 1.61 2.47 -1.26 -4.89 114.94 115.57 1i3l s ASN 138 Ca 0.00 1.91 -0.33 0.00 0.42 0.00 0.00 52.86 54.86 1i3l s ASN 138 Cb 0.00 -2.53 -0.16 0.00 -1.45 0.00 0.00 41.25 37.11 1i3l s ASN 138 CO 0.00 -1.08 1.13 -2.65 -3.72 0.00 0.00 177.10 170.78 1i3l n PRO 139 N 7.35 1.08 0.02 0.43 -0.02 -1.26 -4.86 135.00 137.74 1i3l n PRO 139 Ca 0.18 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1i3l n PRO 139 Cb 0.44 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1i3l n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i3l n GLN 140 N 1.70 0.37 -3.69 -0.52 6.02 -1.26 -4.97 117.38 115.03 1i3l n GLN 140 Ca 0.15 -0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1i3l n GLN 140 Cb 0.24 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 1i3l n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1i3l s TYR 141 N -3.27 -0.22 0.03 1.08 1.13 -1.26 -5.18 117.35 109.66 1i3l s TYR 141 Ca 0.01 -0.07 -0.02 0.00 -1.41 0.00 0.00 57.07 55.58 1i3l s TYR 141 Cb 0.14 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.60 1i3l s TYR 141 CO 0.83 -0.84 0.00 -0.51 -2.51 0.00 0.00 175.55 172.53 1i3l s LEU 142 N -2.83 2.19 0.92 -3.49 1.43 -1.26 -4.32 118.68 111.32 1i3l s LEU 142 Ca 0.10 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1i3l s LEU 142 Cb -0.02 0.26 0.14 0.00 0.03 0.00 0.00 46.19 46.60 1i3l s LEU 142 CO -0.01 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 1i3l s PRO 143 N -2.44 1.08 -0.39 1.29 0.04 -1.26 -5.08 135.00 128.24 1i3l s PRO 143 Ca -0.07 0.72 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 1i3l s PRO 143 Cb -0.03 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1i3l s PRO 143 CO -0.04 -2.34 0.93 -0.51 0.04 0.00 0.00 177.00 175.08 1i3l s LEU 144 N -6.26 3.99 0.41 -3.56 1.43 -0.33 -4.75 118.68 109.61 1i3l s LEU 144 Ca 0.64 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 54.27 1i3l s LEU 144 Cb -0.18 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1i3l s LEU 144 CO 0.57 -0.91 0.57 1.51 0.23 0.00 0.00 176.35 178.31 1i3l s ASP 145 N 1.99 5.71 0.60 2.29 -4.77 -1.26 -1.37 116.67 119.85 1i3l s ASP 145 Ca 0.38 -0.30 0.32 0.00 -3.30 0.00 0.00 52.55 49.65 1i3l s ASP 145 Cb -0.11 -0.85 1.90 0.00 -1.09 0.00 0.00 42.92 42.76 1i3l s ASP 145 CO 0.21 -0.71 2.27 -0.33 0.70 0.00 0.00 175.17 177.30 1i3l h GLU 146 N 0.64 0.00 0.00 2.11 3.07 -1.94 -0.68 114.58 117.78 1i3l h GLU 146 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1i3l h GLU 146 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1i3l h GLU 146 CO 0.48 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.09 1i3l n ALA 147 N -2.29 2.01 -1.76 3.43 0.00 -1.26 -4.84 120.51 115.79 1i3l n ALA 147 Ca -0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1i3l n ALA 147 Cb 0.09 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.13 1i3l n ALA 147 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1i3l n HIS 148 N -1.98 2.82 -1.59 0.00 -0.00 -0.27 -4.88 115.22 109.32 1i3l n HIS 148 Ca 0.04 0.45 -0.40 0.00 -0.00 0.00 0.00 57.72 57.81 1i3l n HIS 148 Cb 0.31 -2.50 0.02 0.00 -0.00 0.00 0.00 29.99 27.83 1i3l n HIS 148 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1i3l n PRO 149 N 0.23 1.16 -4.43 1.57 -0.02 -1.26 -4.98 135.00 127.26 1i3l n PRO 149 Ca 0.03 0.42 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 1i3l n PRO 149 Cb 0.39 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 1i3l n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i3l s THR 150 N -1.37 2.31 0.00 3.45 -4.23 -1.26 -4.47 115.64 110.07 1i3l s THR 150 Ca 0.66 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1i3l s THR 150 Cb -0.52 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1i3l s THR 150 CO 0.55 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1i3l n GLY 151 N -0.24 0.58 1.89 3.99 0.00 0.17 -4.97 105.19 106.60 1i3l n GLY 151 Ca -0.08 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1i3l n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3l n GLY 152 N 0.94 0.42 3.73 -0.02 0.00 -1.26 -4.53 105.19 104.47 1i3l n GLY 152 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1i3l n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3l h THR 154 N -1.15 0.95 -1.42 0.00 1.35 -1.95 -3.46 112.91 107.22 1i3l h THR 154 Ca -0.44 -2.51 -0.63 0.00 -0.55 0.00 0.00 66.41 62.28 1i3l h THR 154 Cb 1.25 2.77 -0.12 0.00 -1.73 0.00 0.00 68.15 70.32 1i3l h THR 154 CO 0.48 0.85 -0.57 0.54 -0.25 0.00 0.00 175.52 176.57 1i3l s ASN 155 N -7.29 4.01 0.52 5.36 4.22 -1.26 -5.00 114.94 115.49 1i3l s ASN 155 Ca -0.16 -1.37 0.16 0.00 -2.14 0.00 0.00 52.86 49.35 1i3l s ASN 155 Cb 0.05 -0.25 1.26 0.00 1.28 0.00 0.00 41.25 43.59 1i3l s ASN 155 CO 0.85 -0.54 2.14 -0.65 -2.04 0.00 0.00 177.10 176.86 1i3l h PRO 156 N 1.64 0.00 -0.03 3.55 0.11 -1.93 0.11 132.00 135.45 1i3l h PRO 156 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i3l h PRO 156 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1i3l h PRO 156 CO 0.78 0.02 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.67 1i3l h TYR 157 N 0.00 0.06 -0.38 0.65 5.03 -1.95 -0.71 116.97 119.68 1i3l h TYR 157 Ca -0.00 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 1i3l h TYR 157 Cb 0.03 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1i3l h TYR 157 CO 0.00 0.35 -0.14 0.78 -1.32 0.00 0.00 178.16 177.83 1i3l h GLY 158 N -0.25 0.73 1.11 1.82 0.00 -1.77 -2.37 103.07 102.35 1i3l h GLY 158 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1i3l h GLY 158 CO 0.00 0.51 0.28 0.50 0.00 0.00 0.00 176.54 177.83 1i3l h LYS 159 N 0.61 1.12 -0.88 4.80 1.57 -0.71 -1.31 116.57 121.78 1i3l h LYS 159 Ca 0.10 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1i3l h LYS 159 Cb 0.59 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1i3l h LYS 159 CO 0.04 0.92 0.51 0.66 -0.57 0.00 0.00 179.45 181.01 1i3l h SER 160 N 1.09 1.07 -0.44 0.86 4.64 -0.74 0.96 113.55 120.99 1i3l h SER 160 Ca 0.25 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1i3l h SER 160 Cb 0.23 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1i3l h SER 160 CO -0.02 0.84 -0.04 0.11 -0.87 0.00 0.00 176.83 176.86 1i3l h LYS 161 N 1.21 0.81 -0.39 4.77 1.79 -0.99 -1.66 116.57 122.11 1i3l h LYS 161 Ca 0.31 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1i3l h LYS 161 Cb -0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 1i3l h LYS 161 CO -0.05 0.89 0.15 0.35 -1.08 0.00 0.00 179.45 179.71 1i3l h PHE 162 N 0.65 0.60 -0.94 -1.35 3.57 -0.69 -0.86 116.94 117.91 1i3l h PHE 162 Ca 0.12 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1i3l h PHE 162 Cb 0.55 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1i3l h PHE 162 CO 0.04 0.53 0.62 0.74 -2.23 0.00 0.00 178.31 178.02 1i3l h PHE 163 N 0.49 1.17 -0.23 0.41 0.04 -0.75 0.04 116.94 118.11 1i3l h PHE 163 Ca 0.13 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1i3l h PHE 163 Cb 0.19 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1i3l h PHE 163 CO -0.00 0.71 0.07 0.82 -0.60 0.00 0.00 178.31 179.31 1i3l h ILE 164 N 1.24 1.20 -0.42 -0.55 2.04 -0.97 -0.87 117.51 119.18 1i3l h ILE 164 Ca 0.36 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1i3l h ILE 164 Cb -0.09 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1i3l h ILE 164 CO -0.09 0.20 0.19 -0.33 0.00 0.00 0.00 178.15 178.12 1i3l h GLU 165 N 0.20 0.37 -0.68 2.37 5.08 -0.47 -1.53 114.58 119.90 1i3l h GLU 165 Ca 0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1i3l h GLU 165 Cb 0.25 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1i3l h GLU 165 CO -0.00 0.24 0.42 0.93 -1.00 0.00 0.00 179.01 179.60 1i3l h GLU 166 N 0.38 0.79 -0.38 2.33 4.39 -0.75 -0.23 114.58 121.10 1i3l h GLU 166 Ca 0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1i3l h GLU 166 Cb 0.12 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1i3l h GLU 166 CO -0.15 0.52 0.24 0.52 -1.16 0.00 0.00 179.01 178.98 1i3l h MET 167 N 0.81 0.51 -0.59 2.33 2.86 -0.63 -1.71 114.93 118.51 1i3l h MET 167 Ca 0.28 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1i3l h MET 167 Cb 0.06 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1i3l h MET 167 CO -0.12 0.35 0.08 0.82 1.06 0.00 0.00 176.91 179.10 1i3l h ILE 168 N 0.51 1.25 -0.53 -1.22 2.04 -0.89 -1.01 117.51 117.65 1i3l h ILE 168 Ca 0.14 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.02 1i3l h ILE 168 Cb -0.03 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1i3l h ILE 168 CO -0.03 0.37 0.33 0.03 0.00 0.00 0.00 178.15 178.85 1i3l h ARG 169 N 0.91 0.64 -0.65 2.37 3.08 -0.72 -0.62 114.38 119.38 1i3l h ARG 169 Ca 0.18 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1i3l h ARG 169 Cb 0.42 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1i3l h ARG 169 CO 0.01 0.42 0.21 -0.44 -1.07 0.00 0.00 179.97 179.11 1i3l h ASP 170 N 0.66 0.94 -0.59 7.04 3.45 -1.01 -1.16 116.42 125.76 1i3l h ASP 170 Ca 0.21 -0.20 0.03 0.00 0.43 0.00 0.00 57.03 57.50 1i3l h ASP 170 Cb -0.00 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.48 1i3l h ASP 170 CO -0.08 0.89 0.35 0.25 -1.57 0.00 0.00 179.24 179.08 1i3l h LEU 171 N 0.94 0.56 -1.01 1.55 5.85 -0.80 -0.13 115.31 122.27 1i3l h LEU 171 Ca 0.21 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1i3l h LEU 171 Cb 0.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1i3l h LEU 171 CO -0.01 0.39 -0.19 0.00 -0.34 0.00 0.00 178.44 178.29 1i3l h GLN 173 N 0.44 0.82 -0.09 0.00 5.75 -0.71 -3.15 115.11 118.17 1i3l h GLN 173 Ca 0.07 -0.31 -0.21 0.00 -0.15 0.00 0.00 58.65 58.05 1i3l h GLN 173 Cb 0.59 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1i3l h GLN 173 CO 0.04 0.94 -0.79 0.00 -2.65 0.00 0.00 178.83 176.37 1i3l h ALA 174 N 0.86 0.44 -3.49 3.38 0.00 -0.75 -3.41 119.26 116.30 1i3l h ALA 174 Ca 0.11 -0.62 -0.61 0.00 0.00 0.00 0.00 54.91 53.79 1i3l h ALA 174 Cb 0.63 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.00 1i3l h ALA 174 CO 0.04 0.74 -0.76 0.34 0.00 0.00 0.00 179.25 179.61 1i3l s ASP 175 N -7.05 4.06 0.00 0.00 3.68 0.02 -4.97 116.67 112.40 1i3l s ASP 175 Ca -0.07 -1.51 0.07 0.00 2.13 0.00 0.00 52.55 53.17 1i3l s ASP 175 Cb 0.09 -1.15 0.33 0.00 -1.45 0.00 0.00 42.92 40.74 1i3l s ASP 175 CO 0.87 -0.32 1.22 0.29 0.13 0.00 0.00 175.17 177.36 1i3l n LYS 176 N 4.65 0.02 0.11 4.34 4.76 -1.23 -2.17 118.16 128.63 1i3l n LYS 176 Ca -0.05 0.35 0.13 0.00 -2.87 0.00 0.00 58.31 55.86 1i3l n LYS 176 Cb 0.43 -1.50 0.35 0.00 -1.84 0.00 0.00 35.03 32.47 1i3l n LYS 176 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1i3l h THR 177 N 0.00 0.00 -4.01 -0.18 1.35 -1.93 -3.46 112.91 104.68 1i3l h THR 177 Ca 0.00 -0.53 -0.46 0.00 -0.55 0.00 0.00 66.41 64.86 1i3l h THR 177 Cb 0.12 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1i3l h THR 177 CO 0.00 0.00 0.37 0.26 -0.25 0.00 0.00 175.52 175.90 1i3l s TRP 178 N -3.12 3.27 -0.06 4.73 0.52 -0.92 -4.93 118.94 118.43 1i3l s TRP 178 Ca 0.10 1.64 0.02 0.00 0.02 0.00 0.00 56.10 57.88 1i3l s TRP 178 Cb 0.12 -3.00 0.01 0.00 -1.15 0.00 0.00 33.47 29.45 1i3l s TRP 178 CO 0.62 -0.41 -0.11 -0.80 0.02 0.00 0.00 176.95 176.27 1i3l s ASN 179 N -1.85 1.65 -0.15 2.95 0.01 -0.14 -3.99 114.94 113.42 1i3l s ASN 179 Ca 0.60 -0.27 -0.08 0.00 -0.71 0.00 0.00 52.86 52.40 1i3l s ASN 179 Cb -0.16 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.82 1i3l s ASN 179 CO 0.21 0.03 0.36 0.68 -1.51 0.00 0.00 177.10 176.87 1i3l s VAL 180 N 0.62 -0.05 -0.27 1.60 -7.23 -0.17 -1.00 120.40 113.90 1i3l s VAL 180 Ca -0.13 0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.11 1i3l s VAL 180 Cb -0.15 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.27 1i3l s VAL 180 CO 0.03 0.05 0.02 -0.69 -0.31 0.00 0.00 175.10 174.20 1i3l s VAL 181 N 1.40 3.58 -0.28 1.32 1.01 0.97 -0.88 120.40 127.50 1i3l s VAL 181 Ca -0.09 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1i3l s VAL 181 Cb -0.09 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1i3l s VAL 181 CO -0.11 0.18 0.28 -0.76 0.00 0.00 0.00 175.10 174.68 1i3l s LEU 182 N 1.45 4.07 -0.24 3.92 1.43 0.03 -1.17 118.68 128.18 1i3l s LEU 182 Ca 0.03 0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1i3l s LEU 182 Cb -0.16 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1i3l s LEU 182 CO -0.00 -0.13 0.01 -0.76 0.23 0.00 0.00 176.35 175.69 1i3l s LEU 183 N 1.91 3.20 -0.69 1.79 1.43 -0.80 -0.88 118.68 124.64 1i3l s LEU 183 Ca 0.11 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 1i3l s LEU 183 Cb -0.16 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.36 1i3l s LEU 183 CO 0.11 -0.06 0.86 -0.13 0.23 0.00 0.00 176.35 177.36 1i3l s ARG 184 N 1.51 3.19 0.54 1.70 0.52 0.48 0.28 118.95 127.17 1i3l s ARG 184 Ca 0.05 -1.32 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 1i3l s ARG 184 Cb -0.15 -4.38 -0.06 0.00 0.52 0.00 0.00 34.95 30.88 1i3l s ARG 184 CO -0.01 -1.65 1.06 0.71 0.02 0.00 0.00 175.30 175.43 1i3l s TYR 185 N 2.95 2.93 0.00 -0.53 2.02 -0.87 -0.81 117.35 123.05 1i3l s TYR 185 Ca 0.19 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.44 1i3l s TYR 185 Cb -0.18 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 1i3l s TYR 185 CO 0.04 -1.07 0.00 1.19 -1.57 0.00 0.00 175.55 174.14 1i3l n PHE 186 N -1.45 0.00 -3.70 2.71 3.72 -0.78 -1.22 117.46 116.75 1i3l n PHE 186 Ca 0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.13 1i3l n PHE 186 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.97 1i3l n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i3l s ASN 187 N -1.00 5.37 0.29 4.37 -0.87 -0.59 -4.79 114.94 117.72 1i3l s ASN 187 Ca 0.00 -2.98 -0.30 0.00 -1.57 0.00 0.00 52.86 48.02 1i3l s ASN 187 Cb 0.00 -1.87 -0.11 0.00 -0.02 0.00 0.00 41.25 39.25 1i3l s ASN 187 CO 0.00 -0.35 1.49 -2.84 -2.57 0.00 0.00 177.10 172.83 1i3l s PRO 188 N -0.25 4.20 0.30 -0.60 0.02 -1.26 -1.24 135.00 136.17 1i3l s PRO 188 Ca 0.18 2.43 -0.07 0.00 0.02 0.00 0.00 61.00 63.56 1i3l s PRO 188 Cb -0.18 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 1i3l s PRO 188 CO -0.05 -0.49 0.46 -0.08 -0.33 0.00 0.00 177.00 176.52 1i3l s THR 189 N -0.25 0.00 0.00 0.99 -1.32 0.48 -4.86 115.64 110.68 1i3l s THR 189 Ca 0.59 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1i3l s THR 189 Cb -0.44 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1i3l s THR 189 CO 0.48 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 1i3l n GLY 190 N -0.46 -2.07 3.67 6.08 0.00 -1.26 0.08 105.19 111.22 1i3l n GLY 190 Ca -0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 1i3l n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3l s ALA 191 N -1.38 -1.11 0.45 4.61 0.00 -1.26 -4.57 121.76 118.50 1i3l s ALA 191 Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 1i3l s ALA 191 Cb 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 1i3l s ALA 191 CO 0.00 -0.91 1.19 1.58 0.00 0.00 0.00 175.76 177.61 1i3l n HIS 192 N -0.41 1.79 0.27 0.00 -0.00 -1.25 -4.78 115.22 110.84 1i3l n HIS 192 Ca -0.08 0.50 0.16 0.00 0.46 0.00 0.00 57.72 58.76 1i3l n HIS 192 Cb 0.61 -2.32 0.79 0.00 -0.12 0.00 0.00 29.99 28.96 1i3l n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3l h ALA 193 N 1.72 1.00 0.00 1.57 0.00 -1.93 -2.27 119.26 119.35 1i3l h ALA 193 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1i3l h ALA 193 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1i3l h ALA 193 CO 0.58 0.00 -0.25 0.66 0.00 0.00 0.00 179.25 180.23 1i3l h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.46 113.55 112.79 1i3l h SER 194 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i3l h SER 194 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1i3l h SER 194 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1i3l n GLY 195 N -0.31 0.89 0.14 -0.77 0.00 -0.86 -4.92 105.19 99.37 1i3l n GLY 195 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1i3l n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3l s ILE 197 N -3.08 0.91 0.00 0.00 -4.36 -1.26 -5.03 121.20 108.37 1i3l s ILE 197 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1i3l s ILE 197 Cb 0.09 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.98 1i3l s ILE 197 CO 0.74 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1i3l n GLY 198 N -0.14 0.46 3.71 6.27 0.00 -1.26 -3.83 105.19 110.41 1i3l n GLY 198 Ca -0.11 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1i3l n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3l s GLU 199 N -1.57 4.41 -0.61 1.61 2.12 -1.26 -4.83 118.70 118.57 1i3l s GLU 199 Ca 0.00 1.79 0.06 0.00 0.36 0.00 0.00 54.97 57.18 1i3l s GLU 199 Cb 0.00 -3.37 0.24 0.00 0.26 0.00 0.00 34.13 31.26 1i3l s GLU 199 CO 0.00 -0.29 0.69 -3.47 -0.54 0.00 0.00 175.26 171.65 1i3l n ASP 200 N 4.08 3.18 -4.76 -1.70 2.03 -1.26 -5.00 116.55 113.12 1i3l n ASP 200 Ca 0.09 -3.31 -0.37 0.00 0.52 0.00 0.00 54.79 51.72 1i3l n ASP 200 Cb 0.46 -0.67 0.01 0.00 -0.72 0.00 0.00 41.12 40.19 1i3l n ASP 200 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1i3l s PRO 201 N -2.19 3.58 -0.26 -0.67 0.04 -1.26 -4.96 135.00 129.28 1i3l s PRO 201 Ca 0.38 1.92 -0.09 0.00 0.04 0.00 0.00 61.00 63.24 1i3l s PRO 201 Cb 0.13 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1i3l s PRO 201 CO -0.04 -0.74 0.13 -1.14 0.04 0.00 0.00 177.00 175.25 1i3l s GLN 202 N -2.75 3.85 1.28 4.56 0.74 -1.26 -4.97 119.66 121.11 1i3l s GLN 202 Ca 0.66 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1i3l s GLN 202 Cb -0.32 -3.48 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1i3l s GLN 202 CO 0.39 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 1i3l n GLY 203 N 4.79 -1.67 3.66 2.59 0.00 -1.26 -4.78 105.19 108.51 1i3l n GLY 203 Ca -0.15 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1i3l n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3l s ILE 204 N 0.00 4.10 0.33 -0.61 1.01 -1.26 -4.95 121.20 119.81 1i3l s ILE 204 Ca 0.00 1.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 1i3l s ILE 204 Cb 0.00 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 1i3l s ILE 204 CO 0.00 -0.12 1.56 -2.65 0.00 0.00 0.00 174.94 173.73 1i3l n PRO 205 N 6.73 2.70 0.10 2.79 -0.02 -1.26 -4.90 135.00 141.13 1i3l n PRO 205 Ca 0.15 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.70 1i3l n PRO 205 Cb 0.44 -2.72 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 1i3l n PRO 205 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i3l n ASN 206 N 1.52 0.82 -4.93 2.55 3.02 -1.26 -4.85 115.26 112.13 1i3l n ASN 206 Ca 0.06 0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 54.67 1i3l n ASN 206 Cb 0.38 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 1i3l n ASN 206 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i3l s ASN 207 N -5.33 6.36 0.04 6.41 0.01 -1.26 -5.02 114.94 116.15 1i3l s ASN 207 Ca -0.01 0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 52.36 1i3l s ASN 207 Cb 0.10 -2.00 -0.08 0.00 0.41 0.00 0.00 41.25 39.67 1i3l s ASN 207 CO 0.80 -0.11 1.26 0.25 -1.51 0.00 0.00 177.10 177.79 1i3l h LEU 208 N 1.60 -0.68 -0.39 0.60 5.85 -2.00 -3.23 115.31 117.06 1i3l h LEU 208 Ca -0.49 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.37 1i3l h LEU 208 Cb 1.20 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 1i3l h LEU 208 CO 0.65 -0.31 -0.07 0.24 -0.34 0.00 0.00 178.44 178.61 1i3l h MET 209 N -0.47 0.02 -0.36 1.25 0.00 -1.97 0.47 114.93 113.89 1i3l h MET 209 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.65 1i3l h MET 209 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 31.60 31.99 1i3l h MET 209 CO -0.04 0.02 0.12 -1.35 0.00 0.00 0.00 176.91 175.65 1i3l h PRO 210 N 0.02 0.51 -0.18 -0.22 0.11 -1.99 0.40 132.00 130.65 1i3l h PRO 210 Ca 0.19 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1i3l h PRO 210 Cb 0.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1i3l h PRO 210 CO -0.38 0.45 -0.03 -0.92 -0.21 0.00 0.00 178.00 176.90 1i3l h TYR 211 N 0.51 0.38 -0.37 0.65 5.03 -1.31 -0.31 116.97 121.54 1i3l h TYR 211 Ca 0.12 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1i3l h TYR 211 Cb 0.15 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 1i3l h TYR 211 CO 0.01 0.59 0.24 0.28 -1.32 0.00 0.00 178.16 177.96 1i3l h VAL 212 N 0.06 1.10 -0.22 1.81 2.07 -0.29 -1.41 116.25 119.37 1i3l h VAL 212 Ca 0.05 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1i3l h VAL 212 Cb 0.46 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1i3l h VAL 212 CO 0.02 0.10 0.01 0.77 0.02 0.00 0.00 177.57 178.48 1i3l h SER 213 N 0.50 0.29 0.33 0.57 4.64 -0.83 0.15 113.55 119.20 1i3l h SER 213 Ca 0.14 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 1i3l h SER 213 Cb -0.05 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1i3l h SER 213 CO -0.03 0.34 -0.41 1.56 -0.87 0.00 0.00 176.83 177.41 1i3l h GLN 214 N 0.31 0.12 -0.01 4.77 4.20 -0.18 0.20 115.11 124.52 1i3l h GLN 214 Ca 0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1i3l h GLN 214 Cb 0.20 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1i3l h GLN 214 CO 0.00 0.52 -0.02 0.28 -0.67 0.00 0.00 178.83 178.94 1i3l h VAL 215 N 0.10 1.50 -0.78 -0.54 2.07 -0.42 0.09 116.25 118.27 1i3l h VAL 215 Ca 0.01 -1.48 0.08 0.00 0.82 0.00 0.00 66.70 66.13 1i3l h VAL 215 Cb 0.78 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 1i3l h VAL 215 CO 0.06 0.39 0.51 0.00 0.02 0.00 0.00 177.57 178.55 1i3l h ALA 216 N 0.38 1.71 0.00 1.67 0.00 -0.72 0.25 119.26 122.56 1i3l h ALA 216 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i3l h ALA 216 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i3l h ALA 216 CO 0.00 0.14 0.00 1.51 0.00 0.00 0.00 179.25 180.91 1i3l n ILE 217 N -4.49 0.64 -0.04 0.00 0.13 0.03 -4.91 119.36 110.72 1i3l n ILE 217 Ca 0.12 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.68 1i3l n ILE 217 Cb 0.28 -0.78 0.00 0.00 -0.84 0.00 0.00 39.64 38.30 1i3l n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1i3l n GLY 218 N 0.87 0.96 0.12 4.50 0.00 0.08 -4.99 105.19 106.72 1i3l n GLY 218 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1i3l n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1i3l h ARG 219 N 3.93 0.38 -6.43 1.61 2.43 -1.18 -3.46 114.38 111.66 1i3l h ARG 219 Ca 0.00 -0.65 -0.68 0.00 -0.81 0.00 0.00 59.98 57.84 1i3l h ARG 219 Cb 0.00 0.24 -0.19 0.00 -0.42 0.00 0.00 29.97 29.60 1i3l h ARG 219 CO 0.00 1.31 -0.75 1.03 -1.51 0.00 0.00 179.97 180.05 1i3l s ARG 220 N -2.63 2.32 0.02 0.20 0.52 -1.03 -4.99 118.95 113.36 1i3l s ARG 220 Ca -0.06 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 1i3l s ARG 220 Cb 0.06 -2.35 -0.16 0.00 0.52 0.00 0.00 34.95 33.01 1i3l s ARG 220 CO 0.91 0.57 1.21 1.49 0.02 0.00 0.00 175.30 179.50 1i3l h GLU 221 N 4.46 -0.94 -3.35 3.54 4.81 -1.90 -3.39 114.58 117.80 1i3l h GLU 221 Ca -0.48 0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 1i3l h GLU 221 Cb 1.16 0.21 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 1i3l h GLU 221 CO 0.51 -0.61 -0.18 0.00 -0.73 0.00 0.00 179.01 177.99 1i3l s ALA 222 N -5.17 -0.75 0.19 2.92 0.00 -1.26 -4.65 121.76 113.03 1i3l s ALA 222 Ca -0.15 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1i3l s ALA 222 Cb 0.02 0.46 -0.08 0.00 0.00 0.00 0.00 23.12 23.52 1i3l s ALA 222 CO 0.47 -0.51 0.96 -1.17 0.00 0.00 0.00 175.76 175.51 1i3l s LEU 223 N -2.40 4.58 -0.33 0.00 2.96 0.11 -4.84 118.68 118.76 1i3l s LEU 223 Ca -0.01 1.90 -0.15 0.00 -0.22 0.00 0.00 54.13 55.65 1i3l s LEU 223 Cb 0.01 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1i3l s LEU 223 CO -0.07 0.05 0.38 0.20 -1.32 0.00 0.00 176.35 175.59 1i3l s ASN 224 N -0.67 6.20 -0.29 3.68 0.02 -1.26 0.53 114.94 123.15 1i3l s ASN 224 Ca 0.44 -0.14 -0.20 0.00 -1.02 0.00 0.00 52.86 51.94 1i3l s ASN 224 Cb -0.25 -2.21 -0.01 0.00 0.02 0.00 0.00 41.25 38.80 1i3l s ASN 224 CO 0.32 -0.33 0.63 -0.69 0.02 0.00 0.00 177.10 177.04 1i3l s VAL 225 N 2.07 4.95 -1.14 1.60 1.01 0.15 -4.92 120.40 124.12 1i3l s VAL 225 Ca 0.13 0.95 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 1i3l s VAL 225 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1i3l s VAL 225 CO 0.12 -0.09 1.99 0.49 0.00 0.00 0.00 175.10 177.61 1i3l n PHE 226 N 5.83 2.99 0.00 5.22 0.99 -1.26 -0.65 117.46 130.58 1i3l n PHE 226 Ca -0.01 -2.29 0.00 0.00 -0.00 0.00 0.00 57.45 55.15 1i3l n PHE 226 Cb 0.49 -2.27 0.00 0.00 -1.00 0.00 0.00 39.48 36.69 1i3l n PHE 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i3l n GLY 227 N 4.74 0.14 0.41 1.37 0.00 -0.11 -4.25 105.19 107.49 1i3l n GLY 227 Ca 0.50 -1.43 0.01 0.00 0.00 0.00 0.00 46.02 45.09 1i3l n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i3l n ASN 228 N -0.41 0.17 -1.12 1.61 6.94 -1.25 -4.55 115.26 116.65 1i3l n ASN 228 Ca 0.00 -1.97 -0.02 0.00 -0.02 0.00 0.00 54.58 52.57 1i3l n ASN 228 Cb 0.00 -0.19 0.21 0.00 -2.36 0.00 0.00 39.78 37.44 1i3l n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i3l n ASP 229 N -0.10 2.80 -4.90 0.53 3.85 -1.04 -4.29 116.55 113.39 1i3l n ASP 229 Ca 0.01 -3.60 -0.29 0.00 -0.71 0.00 0.00 54.79 50.20 1i3l n ASP 229 Cb 0.67 -0.62 0.04 0.00 -1.35 0.00 0.00 41.12 39.86 1i3l n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1i3l s TYR 230 N -3.16 3.27 -1.31 2.11 2.02 0.73 -4.93 117.35 116.09 1i3l s TYR 230 Ca 0.44 0.87 -0.13 0.00 -0.37 0.00 0.00 57.07 57.88 1i3l s TYR 230 Cb 0.39 -2.96 0.12 0.00 -0.40 0.00 0.00 41.96 39.11 1i3l s TYR 230 CO 0.02 -1.07 1.82 -3.47 -1.57 0.00 0.00 175.55 171.28 1i3l n ASP 231 N -2.86 4.80 -4.11 2.29 2.03 -1.26 -4.11 116.55 113.34 1i3l n ASP 231 Ca 0.06 -2.97 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 1i3l n ASP 231 Cb 0.58 -1.60 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 1i3l n ASP 231 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1i3l s THR 232 N 2.18 0.08 0.19 5.18 -4.23 -1.26 -4.91 115.64 112.86 1i3l s THR 232 Ca 0.45 -1.79 -0.23 0.00 -1.18 0.00 0.00 61.69 58.94 1i3l s THR 232 Cb 0.06 -2.05 0.10 0.00 1.34 0.00 0.00 72.50 71.95 1i3l s THR 232 CO -0.00 -0.37 1.57 -0.08 -0.54 0.00 0.00 174.62 175.20 1i3l h GLU 233 N 2.75 -0.15 -0.26 3.99 4.81 -1.89 -2.20 114.58 121.64 1i3l h GLU 233 Ca -0.34 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1i3l h GLU 233 Cb 1.21 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1i3l h GLU 233 CO 0.55 -0.10 0.00 -0.40 -0.73 0.00 0.00 179.01 178.34 1i3l n ASP 234 N -5.42 3.22 0.00 1.04 5.68 -1.26 -4.95 116.55 114.86 1i3l n ASP 234 Ca 0.04 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1i3l n ASP 234 Cb 0.36 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1i3l n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i3l n GLY 235 N 1.37 1.99 3.94 6.12 0.00 -0.83 -4.89 105.19 112.89 1i3l n GLY 235 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1i3l n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i3l s THR 236 N -2.37 5.14 0.56 2.61 -4.23 -1.26 -0.19 115.64 115.90 1i3l s THR 236 Ca 0.00 -0.52 -0.21 0.00 -1.18 0.00 0.00 61.69 59.78 1i3l s THR 236 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1i3l s THR 236 CO 0.00 -0.45 1.33 0.61 -0.54 0.00 0.00 174.62 175.57 1i3l n GLY 237 N -1.50 0.69 3.40 3.99 0.00 -1.26 -4.61 105.19 105.90 1i3l n GLY 237 Ca -0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1i3l n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3l s VAL 238 N -1.31 3.04 0.05 1.61 1.01 -0.18 -1.84 120.40 122.78 1i3l s VAL 238 Ca 0.73 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1i3l s VAL 238 Cb -0.41 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1i3l s VAL 238 CO 0.48 0.55 0.06 -0.13 0.00 0.00 0.00 175.10 176.05 1i3l s ARG 239 N -0.01 0.61 -0.62 2.72 1.81 -0.64 -1.20 118.95 121.61 1i3l s ARG 239 Ca -0.04 -0.94 -0.19 0.00 -1.72 0.00 0.00 55.73 52.84 1i3l s ARG 239 Cb -0.14 0.23 0.10 0.00 -0.45 0.00 0.00 34.95 34.69 1i3l s ARG 239 CO 0.04 -0.15 0.76 0.34 -0.68 0.00 0.00 175.30 175.62 1i3l s ASP 240 N -2.46 6.22 -0.01 0.23 3.68 -0.98 -1.13 116.67 122.22 1i3l s ASP 240 Ca -0.00 -1.44 -0.27 0.00 2.13 0.00 0.00 52.55 52.97 1i3l s ASP 240 Cb 0.02 -2.32 -0.04 0.00 -1.45 0.00 0.00 42.92 39.13 1i3l s ASP 240 CO -0.07 -1.15 0.84 -0.31 0.13 0.00 0.00 175.17 174.61 1i3l s TYR 241 N 2.81 3.66 -0.04 -5.34 2.02 -1.26 -1.54 117.35 117.66 1i3l s TYR 241 Ca 0.14 1.50 0.04 0.00 -0.37 0.00 0.00 57.07 58.38 1i3l s TYR 241 Cb -0.22 -2.94 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 1i3l s TYR 241 CO 0.06 0.10 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.49 1i3l s ILE 242 N 0.65 1.22 0.13 2.71 2.07 -0.37 -4.62 121.20 122.99 1i3l s ILE 242 Ca 0.44 -0.59 -0.31 0.00 -1.41 0.00 0.00 60.65 58.77 1i3l s ILE 242 Cb -0.20 -1.07 -0.10 0.00 0.13 0.00 0.00 42.46 41.22 1i3l s ILE 242 CO 0.24 0.36 1.79 -2.28 -1.91 0.00 0.00 174.94 173.14 1i3l s HIS 243 N 0.17 2.31 0.49 3.50 5.65 -1.26 -0.39 115.29 125.76 1i3l s HIS 243 Ca -0.05 0.07 0.22 0.00 0.25 0.00 0.00 55.06 55.55 1i3l s HIS 243 Cb -0.11 -4.15 1.27 0.00 -1.18 0.00 0.00 32.58 28.40 1i3l s HIS 243 CO 0.02 -4.68 1.97 -0.24 -0.65 0.00 0.00 174.74 171.16 1i3l h VAL 244 N 4.54 0.75 -0.52 0.89 3.04 -0.64 0.09 116.25 124.41 1i3l h VAL 244 Ca -0.45 -0.05 -0.12 0.00 -1.01 0.00 0.00 66.70 65.07 1i3l h VAL 244 Cb 1.21 0.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 1i3l h VAL 244 CO 0.95 0.03 -0.13 0.58 -1.01 0.00 0.00 177.57 177.99 1i3l h VAL 245 N 0.16 1.27 -0.43 1.51 2.07 -1.87 0.14 116.25 119.09 1i3l h VAL 245 Ca 0.30 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1i3l h VAL 245 Cb 0.96 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1i3l h VAL 245 CO -0.05 0.45 0.02 0.44 0.02 0.00 0.00 177.57 178.46 1i3l h ASP 246 N 0.87 0.73 -0.40 0.57 3.32 -1.43 -1.26 116.42 118.82 1i3l h ASP 246 Ca 0.13 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1i3l h ASP 246 Cb 0.70 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1i3l h ASP 246 CO 0.05 0.85 0.24 0.25 -1.72 0.00 0.00 179.24 178.91 1i3l h LEU 247 N 0.60 0.40 -0.67 1.55 5.85 -0.94 -0.54 115.31 121.55 1i3l h LEU 247 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1i3l h LEU 247 Cb 0.46 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1i3l h LEU 247 CO 0.02 0.28 0.39 0.00 -0.34 0.00 0.00 178.44 178.79 1i3l h ALA 248 N 1.17 0.85 0.00 1.25 0.00 -0.53 -1.55 119.26 120.45 1i3l h ALA 248 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1i3l h ALA 248 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1i3l h ALA 248 CO -0.07 0.35 -0.18 0.87 0.00 0.00 0.00 179.25 180.22 1i3l h LYS 249 N 0.91 0.00 0.00 0.00 1.57 -0.82 -1.52 116.57 116.72 1i3l h LYS 249 Ca 0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1i3l h LYS 249 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1i3l h LYS 249 CO -0.04 0.18 -0.06 0.78 -0.57 0.00 0.00 179.45 179.74 1i3l h GLY 250 N 0.65 0.00 1.78 3.86 0.00 -0.04 -1.74 103.07 107.57 1i3l h GLY 250 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1i3l h GLY 250 CO 0.02 0.00 -0.71 0.45 0.00 0.00 0.00 176.54 176.30 1i3l h HIS 251 N 0.00 0.29 -0.49 5.60 3.86 -1.20 -1.58 115.15 121.64 1i3l h HIS 251 Ca -0.00 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 58.95 1i3l h HIS 251 Cb 0.21 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1i3l h HIS 251 CO 0.00 0.86 -0.18 0.82 0.86 0.00 0.00 177.93 180.28 1i3l h ILE 252 N 0.15 1.27 -0.77 2.45 5.03 -1.38 -1.33 117.51 122.92 1i3l h ILE 252 Ca -0.02 -1.35 -0.05 0.00 -0.12 0.00 0.00 64.86 63.32 1i3l h ILE 252 Cb 1.27 1.11 -0.03 0.00 -3.03 0.00 0.00 36.82 36.13 1i3l h ILE 252 CO 0.11 0.47 0.28 0.00 -0.68 0.00 0.00 178.15 178.33 1i3l h ALA 253 N 0.87 1.00 -0.70 1.87 0.00 -1.33 -1.90 119.26 119.06 1i3l h ALA 253 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1i3l h ALA 253 Cb 0.76 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1i3l h ALA 253 CO 0.06 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.29 1i3l h ALA 254 N 1.15 0.91 -0.53 0.00 0.00 -0.86 -1.15 119.26 118.78 1i3l h ALA 254 Ca 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1i3l h ALA 254 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1i3l h ALA 254 CO -0.02 0.48 0.19 -0.07 0.00 0.00 0.00 179.25 179.84 1i3l h LEU 255 N 0.99 0.70 -0.89 0.00 3.38 -0.78 -1.29 115.31 117.42 1i3l h LEU 255 Ca 0.24 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1i3l h LEU 255 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1i3l h LEU 255 CO -0.03 0.65 0.07 0.03 0.09 0.00 0.00 178.44 179.25 1i3l h ARG 256 N 0.76 0.89 -0.83 1.13 3.08 -0.68 -2.63 114.38 116.11 1i3l h ARG 256 Ca 0.18 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1i3l h ARG 256 Cb 0.18 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1i3l h ARG 256 CO -0.01 0.85 0.41 -0.22 -1.07 0.00 0.00 179.97 179.92 1i3l h LYS 257 N 0.84 1.19 -0.92 0.04 1.63 -0.17 -2.50 116.57 116.68 1i3l h LYS 257 Ca 0.17 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1i3l h LYS 257 Cb 0.40 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1i3l h LYS 257 CO 0.01 0.91 0.55 -0.07 -3.45 0.00 0.00 179.45 177.39 1i3l h LEU 258 N 1.17 1.12 -0.77 5.20 3.38 -0.94 -1.28 115.31 123.19 1i3l h LEU 258 Ca 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1i3l h LEU 258 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1i3l h LEU 258 CO -0.04 0.87 0.00 0.29 0.09 0.00 0.00 178.44 179.65 1i3l n LYS 259 N -4.35 0.09 -0.16 1.13 4.01 -0.94 -0.68 118.16 117.26 1i3l n LYS 259 Ca 0.10 0.54 0.09 0.00 -0.51 0.00 0.00 58.31 58.53 1i3l n LYS 259 Cb 0.07 -1.76 0.26 0.00 -0.51 0.00 0.00 35.03 33.09 1i3l n LYS 259 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1i3l n GLU 260 N -1.95 1.94 -3.62 1.97 1.02 -0.48 -4.92 120.64 114.60 1i3l n GLU 260 Ca -0.00 -1.44 -0.21 0.00 -0.02 0.00 0.00 57.16 55.48 1i3l n GLU 260 Cb 0.05 -1.37 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1i3l n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i3l n GLN 261 N 0.66 -4.30 0.02 3.49 1.13 0.15 -4.89 117.38 113.63 1i3l n GLN 261 Ca 0.15 0.65 0.12 0.00 -1.94 0.00 0.00 57.00 55.98 1i3l n GLN 261 Cb 0.37 -5.18 0.50 0.00 0.11 0.00 0.00 30.24 26.04 1i3l n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i3l n GLY 263 N 0.96 -0.17 3.71 0.00 0.00 -1.26 -4.61 105.19 103.82 1i3l n GLY 263 Ca 0.06 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1i3l n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3l s ARG 265 N 0.81 0.55 -0.07 0.00 1.81 -0.06 -4.95 118.95 117.03 1i3l s ARG 265 Ca 0.27 -0.61 0.01 0.00 -1.72 0.00 0.00 55.73 53.68 1i3l s ARG 265 Cb -0.15 -0.40 0.02 0.00 -0.45 0.00 0.00 34.95 33.96 1i3l s ARG 265 CO 0.11 0.09 -0.08 0.42 -0.68 0.00 0.00 175.30 175.16 1i3l s ILE 266 N -0.98 0.89 -0.01 1.52 1.01 -1.26 -0.79 121.20 121.58 1i3l s ILE 266 Ca -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1i3l s ILE 266 Cb -0.08 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 1i3l s ILE 266 CO 0.00 0.31 -0.05 -0.31 0.00 0.00 0.00 174.94 174.90 1i3l s TYR 267 N 1.05 0.46 0.35 3.97 1.51 -0.06 -4.97 117.35 119.66 1i3l s TYR 267 Ca -0.08 -0.09 -0.26 0.00 -1.01 0.00 0.00 57.07 55.64 1i3l s TYR 267 Cb -0.14 -0.32 -0.09 0.00 -0.11 0.00 0.00 41.96 41.29 1i3l s TYR 267 CO -0.01 -0.02 1.01 -0.80 -1.11 0.00 0.00 175.55 174.62 1i3l s ASN 268 N -0.01 7.08 -0.40 2.29 0.01 -1.26 -0.39 114.94 122.26 1i3l s ASN 268 Ca 0.01 1.97 0.03 0.00 -0.71 0.00 0.00 52.86 54.16 1i3l s ASN 268 Cb -0.03 -2.59 0.11 0.00 0.41 0.00 0.00 41.25 39.15 1i3l s ASN 268 CO -0.00 -0.26 0.15 -0.76 -1.51 0.00 0.00 177.10 174.72 1i3l s LEU 269 N -2.23 3.93 0.34 0.60 1.43 0.01 -4.68 118.68 118.08 1i3l s LEU 269 Ca 0.53 -2.41 -0.07 0.00 -1.03 0.00 0.00 54.13 51.15 1i3l s LEU 269 Cb -0.22 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1i3l s LEU 269 CO 0.27 -0.32 0.54 -0.83 0.23 0.00 0.00 176.35 176.24 1i3l s GLY 270 N 0.57 1.09 0.03 -3.19 0.00 -1.26 -1.87 107.32 102.69 1i3l s GLY 270 Ca 0.14 -1.24 0.22 0.00 0.00 0.00 0.00 44.72 43.83 1i3l s GLY 270 CO -0.07 -0.79 0.63 -1.30 0.00 0.00 0.00 173.10 171.57 1i3l n THR 271 N -0.53 0.17 -0.35 0.90 -2.24 -1.26 -4.63 114.28 106.34 1i3l n THR 271 Ca -0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1i3l n THR 271 Cb 0.61 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1i3l n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3l n GLY 272 N 1.24 0.84 3.33 3.38 0.00 -1.26 -4.85 105.19 107.87 1i3l n GLY 272 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1i3l n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3l s THR 273 N -2.79 2.94 -0.10 2.61 2.01 -1.26 -4.75 115.64 114.30 1i3l s THR 273 Ca 0.00 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1i3l s THR 273 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1i3l s THR 273 CO 0.00 0.51 0.19 -0.83 -0.69 0.00 0.00 174.62 173.80 1i3l s GLY 274 N 0.61 2.22 0.01 4.40 0.00 -1.26 -4.11 107.32 109.18 1i3l s GLY 274 Ca -0.08 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.14 1i3l s GLY 274 CO 0.03 -0.25 -0.16 -0.19 0.00 0.00 0.00 173.10 172.52 1i3l s TYR 275 N -0.97 1.45 0.71 1.90 2.02 -0.28 -4.86 117.35 117.31 1i3l s TYR 275 Ca 0.16 -0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1i3l s TYR 275 Cb -0.13 -0.90 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 1i3l s TYR 275 CO 0.06 0.01 1.04 -1.54 -1.57 0.00 0.00 175.55 173.55 1i3l s SER 276 N -0.72 4.87 0.13 2.29 1.04 -1.26 -1.62 113.70 118.43 1i3l s SER 276 Ca 0.05 0.59 -0.22 0.00 0.48 0.00 0.00 55.95 56.86 1i3l s SER 276 Cb -0.07 -1.25 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 1i3l s SER 276 CO 0.00 -1.59 1.67 0.58 0.98 0.00 0.00 173.24 174.88 1i3l h VAL 277 N -0.65 0.61 -0.54 5.02 2.07 -1.62 -1.05 116.25 120.09 1i3l h VAL 277 Ca -0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1i3l h VAL 277 Cb 1.31 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1i3l h VAL 277 CO 0.62 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 178.39 1i3l h LEU 278 N -0.16 0.68 -1.00 2.57 3.38 -1.94 -1.04 115.31 117.80 1i3l h LEU 278 Ca 0.10 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1i3l h LEU 278 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1i3l h LEU 278 CO -0.25 0.59 -0.19 1.56 0.09 0.00 0.00 178.44 180.23 1i3l h GLN 279 N 0.76 0.49 -0.43 1.13 4.20 -1.72 -1.13 115.11 118.41 1i3l h GLN 279 Ca 0.19 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1i3l h GLN 279 Cb 0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1i3l h GLN 279 CO -0.02 0.67 -0.18 0.52 -0.67 0.00 0.00 178.83 179.14 1i3l h MET 280 N 0.45 0.88 -0.35 1.46 2.86 -0.10 -1.21 114.93 118.90 1i3l h MET 280 Ca 0.07 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1i3l h MET 280 Cb 0.59 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1i3l h MET 280 CO 0.04 1.02 0.17 0.28 1.06 0.00 0.00 176.91 179.48 1i3l h VAL 281 N 0.70 0.97 -0.80 -2.22 2.07 -0.99 -0.06 116.25 115.93 1i3l h VAL 281 Ca 0.10 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1i3l h VAL 281 Cb 0.74 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1i3l h VAL 281 CO 0.06 0.06 0.51 -0.61 0.02 0.00 0.00 177.57 177.62 1i3l h GLN 282 N 0.35 1.06 -0.21 1.57 4.15 -1.12 0.17 115.11 121.09 1i3l h GLN 282 Ca 0.15 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 1i3l h GLN 282 Cb 0.07 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1i3l h GLN 282 CO -0.11 0.72 -0.08 0.00 -1.93 0.00 0.00 178.83 177.43 1i3l h ALA 283 N 1.28 1.48 -0.06 3.38 0.00 -0.59 -1.15 119.26 123.60 1i3l h ALA 283 Ca 0.29 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1i3l h ALA 283 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1i3l h ALA 283 CO -0.06 0.37 -0.70 0.52 0.00 0.00 0.00 179.25 179.37 1i3l h MET 284 N 0.31 0.29 -0.35 0.00 2.86 0.07 -0.21 114.93 117.90 1i3l h MET 284 Ca 0.07 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1i3l h MET 284 Cb 0.34 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1i3l h MET 284 CO 0.02 0.88 0.13 0.93 1.06 0.00 0.00 176.91 179.93 1i3l h GLU 285 N 0.20 0.54 -0.76 1.72 5.08 -0.15 -0.54 114.58 120.65 1i3l h GLU 285 Ca -0.02 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1i3l h GLU 285 Cb 1.26 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1i3l h GLU 285 CO 0.11 0.54 0.38 -0.22 -1.00 0.00 0.00 179.01 178.82 1i3l h LYS 286 N 0.42 1.09 -0.25 2.33 3.64 -1.05 0.70 116.57 123.46 1i3l h LYS 286 Ca 0.12 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1i3l h LYS 286 Cb 0.21 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1i3l h LYS 286 CO -0.01 0.84 -0.60 0.00 -2.27 0.00 0.00 179.45 177.42 1i3l h ALA 287 N 1.19 0.40 0.00 5.00 0.00 -0.76 -3.31 119.26 121.79 1i3l h ALA 287 Ca 0.26 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1i3l h ALA 287 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1i3l h ALA 287 CO -0.04 0.66 -0.76 0.66 0.00 0.00 0.00 179.25 179.77 1i3l h SER 288 N 0.61 0.00 -0.73 0.00 4.64 -1.07 -3.47 113.55 113.52 1i3l h SER 288 Ca -0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1i3l h SER 288 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1i3l h SER 288 CO 0.13 0.64 -0.16 0.61 -0.87 0.00 0.00 176.83 177.18 1i3l n GLY 289 N 1.28 0.43 3.16 -0.77 0.00 0.23 -5.02 105.19 104.50 1i3l n GLY 289 Ca -0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1i3l n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3l s LYS 290 N -3.63 0.84 0.32 1.61 -0.14 -1.18 -5.06 119.74 112.50 1i3l s LYS 290 Ca 0.00 -0.88 -0.28 0.00 -1.36 0.00 0.00 55.97 53.45 1i3l s LYS 290 Cb 0.00 -0.85 -0.09 0.00 -1.68 0.00 0.00 37.83 35.21 1i3l s LYS 290 CO 0.00 0.19 1.05 0.15 -0.76 0.00 0.00 175.35 175.99 1i3l s LYS 291 N -1.53 4.51 -0.40 1.68 -0.14 -1.26 -4.38 119.74 118.22 1i3l s LYS 291 Ca -0.01 1.65 0.03 0.00 -1.36 0.00 0.00 55.97 56.28 1i3l s LYS 291 Cb -0.09 -2.97 0.11 0.00 -1.68 0.00 0.00 37.83 33.20 1i3l s LYS 291 CO 0.02 0.14 0.15 0.42 -0.76 0.00 0.00 175.35 175.32 1i3l s ILE 292 N -1.35 2.05 0.76 2.17 1.01 -1.26 -4.85 121.20 119.74 1i3l s ILE 292 Ca 0.49 -2.54 -0.11 0.00 0.00 0.00 0.00 60.65 58.49 1i3l s ILE 292 Cb -0.27 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.77 1i3l s ILE 292 CO 0.35 -0.71 1.08 -2.16 0.00 0.00 0.00 174.94 173.50 1i3l s PRO 293 N 0.56 2.36 0.14 2.79 0.04 -1.26 -4.86 135.00 134.77 1i3l s PRO 293 Ca 0.14 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 61.97 1i3l s PRO 293 Cb -0.22 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1i3l s PRO 293 CO -0.07 -1.53 0.69 1.52 0.04 0.00 0.00 177.00 177.65 1i3l s TYR 294 N -2.97 -0.44 -0.02 0.56 1.13 -1.26 0.08 117.35 114.43 1i3l s TYR 294 Ca 0.60 0.21 0.03 0.00 -1.41 0.00 0.00 57.07 56.50 1i3l s TYR 294 Cb -0.16 0.58 -0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1i3l s TYR 294 CO 0.56 -0.84 -0.11 0.21 -2.51 0.00 0.00 175.55 172.86 1i3l s LYS 295 N -3.63 1.01 -0.12 -3.49 2.20 0.19 -4.83 119.74 111.06 1i3l s LYS 295 Ca 0.04 -0.39 -0.25 0.00 -0.36 0.00 0.00 55.97 55.00 1i3l s LYS 295 Cb -0.02 -0.95 -0.02 0.00 -1.51 0.00 0.00 37.83 35.33 1i3l s LYS 295 CO -0.09 0.20 0.80 0.08 -0.36 0.00 0.00 175.35 175.98 1i3l s VAL 296 N -0.10 4.94 0.29 4.02 1.01 -1.26 0.34 120.40 129.64 1i3l s VAL 296 Ca 0.01 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1i3l s VAL 296 Cb -0.06 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1i3l s VAL 296 CO 0.00 0.12 0.04 1.33 0.00 0.00 0.00 175.10 176.59 1i3l n VAL 297 N 4.34 0.00 -0.80 2.92 0.24 0.17 -4.89 118.33 120.32 1i3l n VAL 297 Ca 0.03 -1.50 -0.32 0.00 -2.04 0.00 0.00 64.34 60.50 1i3l n VAL 297 Cb 0.50 0.41 0.15 0.00 -1.47 0.00 0.00 33.84 33.44 1i3l n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i3l n ALA 298 N -1.89 -0.77 -1.75 2.33 0.00 -1.26 -0.93 120.51 116.24 1i3l n ALA 298 Ca -0.12 -0.50 -0.36 0.00 0.00 0.00 0.00 53.44 52.46 1i3l n ALA 298 Cb 0.40 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.70 1i3l n ALA 298 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i3l s ARG 299 N -4.40 3.01 -0.19 0.00 0.52 -1.26 -3.47 118.95 113.15 1i3l s ARG 299 Ca 0.68 1.91 -0.16 0.00 -0.52 0.00 0.00 55.73 57.64 1i3l s ARG 299 Cb -0.25 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1i3l s ARG 299 CO 0.57 -1.19 0.39 0.50 0.02 0.00 0.00 175.30 175.58 1i3l s ARG 300 N -3.22 4.19 0.08 3.54 3.52 -1.26 -4.93 118.95 120.87 1i3l s ARG 300 Ca 0.76 0.20 -0.37 0.00 -0.13 0.00 0.00 55.73 56.19 1i3l s ARG 300 Cb -0.32 -3.52 -0.17 0.00 -1.56 0.00 0.00 34.95 29.37 1i3l s ARG 300 CO 0.36 -0.00 1.32 -1.91 -0.81 0.00 0.00 175.30 174.26 1i3l n GLU 301 N 4.35 1.08 0.00 5.12 2.13 -1.26 -1.66 120.64 130.40 1i3l n GLU 301 Ca -0.09 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1i3l n GLU 301 Cb 0.51 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1i3l n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i3l n GLY 302 N 2.45 2.13 3.76 8.31 0.00 -1.26 -5.03 105.19 115.55 1i3l n GLY 302 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1i3l n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3l s ASP 303 N -3.16 6.51 0.34 1.61 1.11 -0.66 -5.02 116.67 117.40 1i3l s ASP 303 Ca 0.00 2.87 -0.05 0.00 0.18 0.00 0.00 52.55 55.56 1i3l s ASP 303 Cb 0.00 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 1i3l s ASP 303 CO 0.00 -0.77 0.61 0.68 1.18 0.00 0.00 175.17 176.87 1i3l s VAL 304 N -0.66 4.99 0.02 -1.27 -7.23 -1.26 -5.01 120.40 109.98 1i3l s VAL 304 Ca 0.55 0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 60.52 1i3l s VAL 304 Cb -0.44 -3.77 -0.17 0.00 0.56 0.00 0.00 36.38 32.55 1i3l s VAL 304 CO 0.54 -0.46 1.32 0.00 -0.31 0.00 0.00 175.10 176.19 1i3l h ALA 305 N 1.26 -0.32 -3.00 1.32 0.00 -1.95 -3.44 119.26 113.13 1i3l h ALA 305 Ca -0.48 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.10 1i3l h ALA 305 Cb 1.20 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.87 1i3l h ALA 305 CO 0.64 -0.52 -0.46 0.00 0.00 0.00 0.00 179.25 178.91 1i3l s ALA 306 N -4.95 -0.49 -0.17 0.00 0.00 -1.26 -1.01 121.76 113.89 1i3l s ALA 306 Ca -0.15 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 1i3l s ALA 306 Cb 0.03 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1i3l s ALA 306 CO 0.58 -0.15 0.40 0.00 0.00 0.00 0.00 175.76 176.60 1i3l s TYR 308 N 1.26 -0.61 0.48 0.00 -0.85 -1.26 -2.32 117.35 114.05 1i3l s TYR 308 Ca -0.08 0.78 -0.01 0.00 -0.52 0.00 0.00 57.07 57.23 1i3l s TYR 308 Cb -0.08 0.48 -0.00 0.00 0.38 0.00 0.00 41.96 42.74 1i3l s TYR 308 CO -0.11 -0.71 0.73 0.00 -1.52 0.00 0.00 175.55 173.93 1i3l s ALA 309 N -2.31 3.66 -0.38 9.51 0.00 -1.26 -1.19 121.76 129.79 1i3l s ALA 309 Ca -0.06 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 1i3l s ALA 309 Cb -0.00 -2.25 0.07 0.00 0.00 0.00 0.00 23.12 20.94 1i3l s ALA 309 CO -0.00 -0.48 0.17 1.21 0.00 0.00 0.00 175.76 176.66 1i3l s ASN 310 N -4.24 5.36 0.00 0.00 3.84 -0.47 -4.02 114.94 115.41 1i3l s ASN 310 Ca 0.50 -1.53 0.12 0.00 0.21 0.00 0.00 52.86 52.16 1i3l s ASN 310 Cb -0.10 -1.88 0.35 0.00 -0.55 0.00 0.00 41.25 39.07 1i3l s ASN 310 CO 0.40 -0.45 1.29 -0.81 -2.79 0.00 0.00 177.10 174.73 1i3l n PRO 311 N 4.77 1.86 -0.15 0.43 -0.04 -1.26 -4.48 135.00 136.13 1i3l n PRO 311 Ca -0.09 -1.34 -0.09 0.00 -0.04 0.00 0.00 63.50 61.94 1i3l n PRO 311 Cb 0.43 -1.30 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1i3l n PRO 311 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1i3l h SER 312 N 2.19 0.64 -0.62 3.54 4.64 -1.95 -2.28 113.55 119.71 1i3l h SER 312 Ca 0.00 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1i3l h SER 312 Cb 0.50 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 1i3l h SER 312 CO 0.00 0.67 0.31 0.25 -0.87 0.00 0.00 176.83 177.19 1i3l h LEU 313 N 0.57 0.42 -0.85 5.97 5.85 -1.96 -0.39 115.31 124.91 1i3l h LEU 313 Ca 0.14 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1i3l h LEU 313 Cb 0.26 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1i3l h LEU 313 CO -0.00 0.27 0.20 0.00 -0.34 0.00 0.00 178.44 178.57 1i3l h ALA 314 N 1.35 1.07 -0.50 1.25 0.00 -1.81 0.75 119.26 121.38 1i3l h ALA 314 Ca 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1i3l h ALA 314 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1i3l h ALA 314 CO -0.21 0.63 0.28 1.96 0.00 0.00 0.00 179.25 181.91 1i3l h GLN 315 N 1.01 0.69 0.27 0.00 4.20 -0.71 -0.95 115.11 119.62 1i3l h GLN 315 Ca 0.22 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1i3l h GLN 315 Cb 0.30 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1i3l h GLN 315 CO -0.01 0.52 -0.13 0.93 -0.67 0.00 0.00 178.83 179.48 1i3l h GLU 316 N 0.66 -0.35 0.12 1.46 5.08 -0.72 -2.38 114.58 118.46 1i3l h GLU 316 Ca 0.18 0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.22 1i3l h GLU 316 Cb 0.03 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1i3l h GLU 316 CO -0.03 -0.00 -1.79 0.93 -1.00 0.00 0.00 179.01 177.12 1i3l h GLU 317 N -0.79 0.26 0.00 2.33 5.08 -0.94 -3.36 114.58 117.15 1i3l h GLU 317 Ca -0.04 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 1i3l h GLU 317 Cb 0.51 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1i3l h GLU 317 CO 0.06 1.13 -0.81 1.25 -1.00 0.00 0.00 179.01 179.64 1i3l h LEU 318 N 0.07 0.00 -0.31 1.33 5.85 -1.32 -3.48 115.31 117.46 1i3l h LEU 318 Ca -0.34 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 1i3l h LEU 318 Cb 2.05 0.00 0.03 0.00 0.37 0.00 0.00 40.66 43.11 1i3l h LEU 318 CO 0.13 0.34 -0.21 0.61 -0.34 0.00 0.00 178.44 178.97 1i3l n GLY 319 N 1.25 0.33 2.99 3.75 0.00 -0.79 -4.87 105.19 107.85 1i3l n GLY 319 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1i3l n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i3l s TRP 320 N -2.86 0.48 0.01 1.61 -0.00 -1.11 -5.02 118.94 112.05 1i3l s TRP 320 Ca 0.13 -0.29 -0.04 0.00 -0.00 0.00 0.00 56.10 55.90 1i3l s TRP 320 Cb -0.06 -0.30 -0.01 0.00 -0.00 0.00 0.00 33.47 33.10 1i3l s TRP 320 CO 0.17 -0.06 0.06 -0.08 -0.00 0.00 0.00 176.95 177.04 1i3l s THR 321 N -0.75 0.10 -0.75 5.86 -1.32 -1.26 -3.16 115.64 114.35 1i3l s THR 321 Ca -0.05 -0.84 -0.24 0.00 -1.21 0.00 0.00 61.69 59.35 1i3l s THR 321 Cb -0.06 -0.42 0.05 0.00 -1.51 0.00 0.00 72.50 70.56 1i3l s THR 321 CO -0.00 -0.46 1.17 0.00 -2.21 0.00 0.00 174.62 173.12 1i3l s ALA 322 N -1.57 2.93 0.20 11.08 0.00 -1.26 -4.88 121.76 128.26 1i3l s ALA 322 Ca -0.14 -1.75 -0.06 0.00 0.00 0.00 0.00 51.96 50.01 1i3l s ALA 322 Cb -0.08 -4.12 0.13 0.00 0.00 0.00 0.00 23.12 19.05 1i3l s ALA 322 CO -0.00 -3.11 1.61 0.00 0.00 0.00 0.00 175.76 174.26 1i3l h ALA 323 N 9.75 0.83 -2.52 0.00 0.00 -1.98 -3.46 119.26 121.88 1i3l h ALA 323 Ca -0.20 -0.37 -0.54 0.00 0.00 0.00 0.00 54.91 53.80 1i3l h ALA 323 Cb 1.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1i3l h ALA 323 CO 1.25 0.65 0.31 -0.51 0.00 0.00 0.00 179.25 180.94 1i3l s LEU 324 N -8.99 4.41 0.00 0.00 1.43 -1.26 -5.05 118.68 109.22 1i3l s LEU 324 Ca -0.10 1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 1i3l s LEU 324 Cb 0.13 -3.48 0.16 0.00 0.03 0.00 0.00 46.19 43.03 1i3l s LEU 324 CO 0.85 -0.16 1.05 0.61 0.23 0.00 0.00 176.35 178.93 1i3l n GLY 325 N 2.68 0.41 0.20 -3.19 0.00 -1.26 -4.67 105.19 99.36 1i3l n GLY 325 Ca 0.03 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 1i3l n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i3l h LEU 326 N 0.00 0.01 -0.72 0.99 5.85 -1.96 -1.59 115.31 117.87 1i3l h LEU 326 Ca -0.35 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1i3l h LEU 326 Cb 1.23 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1i3l h LEU 326 CO 0.35 0.03 0.16 0.44 -0.34 0.00 0.00 178.44 179.09 1i3l h ASP 327 N 0.24 1.08 -0.66 1.25 3.32 -1.95 -1.40 116.42 118.29 1i3l h ASP 327 Ca 0.25 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1i3l h ASP 327 Cb 0.33 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1i3l h ASP 327 CO -0.32 1.03 0.42 0.03 -1.72 0.00 0.00 179.24 178.69 1i3l h ARG 328 N 1.07 0.82 -0.42 3.56 2.47 -1.84 0.31 114.38 120.36 1i3l h ARG 328 Ca 0.22 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.91 1i3l h ARG 328 Cb 0.38 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 1i3l h ARG 328 CO 0.00 0.54 0.26 0.52 0.56 0.00 0.00 179.97 181.85 1i3l h MET 329 N 0.84 0.51 -0.26 0.04 2.86 -0.95 0.15 114.93 118.13 1i3l h MET 329 Ca 0.26 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1i3l h MET 329 Cb -0.03 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1i3l h MET 329 CO -0.08 0.33 -0.21 0.00 1.06 0.00 0.00 176.91 178.01 1i3l h GLU 331 N 0.32 0.87 -0.20 0.00 5.08 -0.14 -0.63 114.58 119.88 1i3l h GLU 331 Ca 0.05 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 1i3l h GLU 331 Cb 0.76 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1i3l h GLU 331 CO 0.06 0.75 -0.59 -0.44 -1.00 0.00 0.00 179.01 177.79 1i3l h ASP 332 N 0.85 0.72 -0.41 1.42 3.32 -0.63 -1.12 116.42 120.56 1i3l h ASP 332 Ca 0.19 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1i3l h ASP 332 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1i3l h ASP 332 CO -0.01 1.14 0.03 0.25 -1.72 0.00 0.00 179.24 178.93 1i3l h LEU 333 N 0.48 0.69 -0.42 1.55 5.85 -1.17 -2.58 115.31 119.71 1i3l h LEU 333 Ca 0.00 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1i3l h LEU 333 Cb 1.16 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1i3l h LEU 333 CO 0.11 0.81 0.12 -0.25 -0.34 0.00 0.00 178.44 178.90 1i3l h TRP 334 N 0.55 0.68 -0.54 1.25 -0.00 -0.99 -0.99 115.95 115.91 1i3l h TRP 334 Ca 0.12 -0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.98 1i3l h TRP 334 Cb 0.44 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.36 1i3l h TRP 334 CO 0.03 0.63 0.30 -0.09 -0.00 0.00 0.00 178.44 179.32 1i3l h ARG 335 N 0.54 0.57 -0.44 2.65 2.43 -1.10 0.15 114.38 119.18 1i3l h ARG 335 Ca 0.13 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1i3l h ARG 335 Cb 0.27 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1i3l h ARG 335 CO -0.00 0.38 0.19 2.35 -1.51 0.00 0.00 179.97 181.38 1i3l h TRP 336 N 0.59 0.66 -0.48 2.20 2.91 -1.24 0.04 115.95 120.63 1i3l h TRP 336 Ca 0.23 -0.04 -0.10 0.00 1.13 0.00 0.00 58.89 60.11 1i3l h TRP 336 Cb 0.09 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 1i3l h TRP 336 CO -0.08 0.55 -0.09 0.37 -1.03 0.00 0.00 178.44 178.16 1i3l h GLN 337 N 0.57 0.87 -0.06 2.65 5.75 -0.78 -0.66 115.11 123.45 1i3l h GLN 337 Ca 0.15 -0.29 -0.09 0.00 -0.15 0.00 0.00 58.65 58.27 1i3l h GLN 337 Cb 0.16 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1i3l h GLN 337 CO -0.01 0.93 -0.30 -0.22 -2.65 0.00 0.00 178.83 176.58 1i3l h LYS 338 N 0.79 0.31 0.00 1.69 3.64 -0.51 -2.46 116.57 120.03 1i3l h LYS 338 Ca 0.13 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1i3l h LYS 338 Cb 0.60 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1i3l h LYS 338 CO 0.04 0.89 0.00 1.96 -2.27 0.00 0.00 179.45 180.07 1i3l h GLN 339 N -0.19 0.00 -2.03 1.90 4.20 -0.96 -3.34 115.11 114.69 1i3l h GLN 339 Ca -0.02 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.13 1i3l h GLN 339 Cb 0.95 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.33 1i3l h GLN 339 CO 0.06 0.00 -1.03 0.09 -0.67 0.00 0.00 178.83 177.28 1i3l n ASN 340 N -3.04 0.81 -0.42 1.46 3.02 -0.26 -4.97 115.26 111.87 1i3l n ASN 340 Ca 0.01 -2.83 0.38 0.00 -0.03 0.00 0.00 54.58 52.10 1i3l n ASN 340 Cb 0.30 -0.64 0.73 0.00 -0.61 0.00 0.00 39.78 39.55 1i3l n ASN 340 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1i3l h PRO 341 N 3.98 0.06 -0.02 3.52 0.10 -1.57 0.90 132.00 138.97 1i3l h PRO 341 Ca 0.09 -0.00 -0.01 0.00 0.10 0.00 0.00 66.00 66.18 1i3l h PRO 341 Cb 0.85 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 31.93 1i3l h PRO 341 CO 0.53 0.04 -0.33 -1.13 0.10 0.00 0.00 178.00 177.20 1i3l n SER 342 N -4.24 1.96 0.00 -2.05 3.41 -1.26 -5.04 113.62 106.39 1i3l n SER 342 Ca 0.31 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1i3l n SER 342 Cb 1.39 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1i3l n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i3l n GLY 343 N -1.20 -0.47 3.81 5.00 0.00 0.31 -4.80 105.19 107.84 1i3l n GLY 343 Ca 0.19 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 1i3l n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i3l s PHE 344 N 0.00 3.25 0.05 1.61 0.08 -1.26 -4.85 117.98 116.86 1i3l s PHE 344 Ca 0.00 1.61 -0.10 0.00 0.12 0.00 0.00 56.93 58.56 1i3l s PHE 344 Cb 0.00 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1i3l s PHE 344 CO 0.00 -0.26 0.22 0.20 -0.10 0.00 0.00 175.22 175.28 1i3l s GLY 345 N -2.11 0.00 0.70 4.36 0.00 -1.26 -5.10 107.32 103.92 1i3l s GLY 345 Ca 0.63 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 1i3l s GLY 345 CO 0.15 -0.44 1.12 -0.51 0.00 0.00 0.00 173.10 173.42 1i3l s THR 346 N -2.73 3.07 0.35 0.90 -4.23 -1.26 -4.92 115.64 106.82 1i3l s THR 346 Ca -0.04 0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 60.67 1i3l s THR 346 Cb -0.00 -2.98 -0.12 0.00 1.34 0.00 0.00 72.50 70.74 1i3l s THR 346 CO -0.05 -0.33 1.33 0.00 -0.54 0.00 0.00 174.62 175.03 1i3l n GLN 347 N -2.69 2.24 0.00 3.99 6.02 -1.26 -4.98 117.38 120.70 1i3l n GLN 347 Ca 0.11 0.79 0.06 0.00 -0.01 0.00 0.00 57.00 57.94 1i3l n GLN 347 Cb 0.52 -2.40 0.36 0.00 1.02 0.00 0.00 30.24 29.74 1i3l n GLN 347 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05