#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ron n SER 2 N 0.00 2.39 -4.30 6.12 2.88 -1.21 -3.96 113.62 115.54 2ron n SER 2 Ca 0.00 0.38 -0.28 0.00 -1.33 0.00 0.00 58.87 57.65 2ron n SER 2 Cb 0.00 -1.32 0.16 0.00 -0.75 0.00 0.00 64.21 62.30 2ron n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2ron s GLN 3 N 6.18 0.96 -0.29 -1.46 -0.21 -0.94 -3.71 119.66 120.19 2ron s GLN 3 Ca 1.07 -0.66 -0.17 0.00 0.02 0.00 0.00 55.36 55.62 2ron s GLN 3 Cb -0.75 -2.01 0.13 0.00 1.00 0.00 0.00 33.01 31.39 2ron s GLN 3 CO 0.46 -2.11 0.95 -0.48 -2.12 0.00 0.00 175.29 171.99 2ron s LEU 4 N -5.65 -0.55 0.05 2.90 2.34 -1.26 -0.03 118.68 116.48 2ron s LEU 4 Ca 0.72 0.90 -0.15 0.00 0.06 0.00 0.00 54.13 55.65 2ron s LEU 4 Cb -0.04 1.83 -0.06 0.00 -0.56 0.00 0.00 46.19 47.36 2ron s LEU 4 CO 0.50 -0.14 0.47 0.12 -1.06 0.00 0.00 176.35 176.24 2ron s PHE 5 N 1.21 3.71 0.07 3.48 5.36 -0.10 -4.89 117.98 126.83 2ron s PHE 5 Ca -0.07 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 2ron s PHE 5 Cb -0.04 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 2ron s PHE 5 CO -0.14 0.59 -0.05 0.15 -1.46 0.00 0.00 175.22 174.31 2ron s LYS 6 N -1.31 0.69 -0.38 10.12 3.01 -1.26 -0.57 119.74 130.04 2ron s LYS 6 Ca 0.28 -1.24 0.02 0.00 -1.01 0.00 0.00 55.97 54.02 2ron s LYS 6 Cb -0.17 0.02 0.18 0.00 -1.01 0.00 0.00 37.83 36.85 2ron s LYS 6 CO 0.16 -0.06 0.79 0.45 0.51 0.00 0.00 175.35 177.19 2ron s SER 7 N -2.89 -1.08 0.40 2.83 0.15 0.99 -4.94 113.70 109.15 2ron s SER 7 Ca 0.08 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.08 2ron s SER 7 Cb 0.06 1.39 -0.06 0.00 -1.71 0.00 0.00 66.02 65.70 2ron s SER 7 CO -0.07 -0.12 0.75 0.72 1.20 0.00 0.00 173.24 175.72 2ron s PHE 8 N 1.89 3.48 -0.30 3.44 -0.71 -1.26 -1.29 117.98 123.22 2ron s PHE 8 Ca 0.16 0.97 0.01 0.00 -1.04 0.00 0.00 56.93 57.03 2ron s PHE 8 Cb -0.01 -2.39 0.15 0.00 -1.21 0.00 0.00 43.02 39.56 2ron s PHE 8 CO -0.10 -0.10 0.36 -0.51 -1.34 0.00 0.00 175.22 173.53 2ron s ASP 9 N -3.27 1.04 -1.75 1.98 1.11 -1.26 -4.87 116.67 109.64 2ron s ASP 9 Ca 0.50 -0.68 0.00 0.00 0.18 0.00 0.00 52.55 52.54 2ron s ASP 9 Cb -0.10 0.79 0.00 0.00 1.07 0.00 0.00 42.92 44.67 2ron s ASP 9 CO 0.33 -0.36 0.00 0.00 1.18 0.00 0.00 175.17 176.32 2ron n ALA 10 N 5.21 -0.25 -3.80 5.23 0.00 -1.26 -3.15 120.51 122.49 2ron n ALA 10 Ca 0.01 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 2ron n ALA 10 Cb 0.48 -1.75 0.04 0.00 0.00 0.00 0.00 19.45 18.22 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.72 -5.00 -0.00 0.00 3.41 -1.26 -4.94 113.62 105.11 2ron n SER 11 Ca -0.16 -1.10 -0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2ron n SER 11 Cb 0.55 -2.87 -0.00 0.00 -0.26 0.00 0.00 64.21 61.63 2ron n SER 11 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ron h GLU 12 N -2.12 0.00 -3.07 4.33 4.39 -1.83 -3.48 114.58 112.80 2ron h GLU 12 Ca -0.68 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 58.84 2ron h GLU 12 Cb 1.37 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.75 2ron h GLU 12 CO 0.49 0.00 -0.45 0.15 -1.16 0.00 0.00 179.01 178.04 2ron s LYS 13 N -1.00 0.25 -0.08 2.33 1.02 -1.26 -4.79 119.74 116.21 2ron s LYS 13 Ca -0.00 0.44 -0.14 0.00 0.02 0.00 0.00 55.97 56.29 2ron s LYS 13 Cb 0.00 0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 2ron s LYS 13 CO 0.00 -0.10 0.34 0.99 -0.92 0.00 0.00 175.35 175.67 2ron s THR 14 N 0.68 5.20 -0.20 2.17 2.01 -1.23 -0.20 115.64 124.07 2ron s THR 14 Ca -0.05 0.68 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 2ron s THR 14 Cb -0.06 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.86 2ron s THR 14 CO -0.04 0.50 0.09 0.00 -0.69 0.00 0.00 174.62 174.48 2ron s GLN 15 N -0.41 0.20 -0.81 4.92 -2.07 -1.06 -1.58 119.66 118.85 2ron s GLN 15 Ca 0.21 -0.25 -0.15 0.00 -1.82 0.00 0.00 55.36 53.34 2ron s GLN 15 Cb -0.15 -1.75 0.20 0.00 -1.09 0.00 0.00 33.01 30.23 2ron s GLN 15 CO 0.09 -0.74 0.78 -1.17 -1.32 0.00 0.00 175.29 172.93 2ron s LEU 16 N 2.07 6.53 0.52 2.60 0.20 0.10 -2.65 118.68 128.06 2ron s LEU 16 Ca 0.03 -2.54 0.04 0.00 0.69 0.00 0.00 54.13 52.35 2ron s LEU 16 Cb -0.16 -2.23 0.01 0.00 -0.43 0.00 0.00 46.19 43.38 2ron s LEU 16 CO -0.15 -0.65 0.25 0.27 -0.29 0.00 0.00 176.35 175.78 2ron s ILE 17 N 0.55 1.54 -0.26 6.68 -0.00 -1.01 -1.99 121.20 126.71 2ron s ILE 17 Ca 0.18 -1.68 -0.02 0.00 -0.00 0.00 0.00 60.65 59.12 2ron s ILE 17 Cb -0.11 -2.22 0.15 0.00 -0.00 0.00 0.00 42.46 40.28 2ron s ILE 17 CO -0.08 0.00 0.45 0.00 -0.00 0.00 0.00 174.94 175.31 2ron n PHE 19 N 5.39 -1.96 -2.05 0.00 3.72 -1.26 -4.81 117.46 116.48 2ron n PHE 19 Ca -0.03 0.54 -0.28 0.00 -0.05 0.00 0.00 57.45 57.64 2ron n PHE 19 Cb 0.50 -3.61 -0.05 0.00 -0.94 0.00 0.00 39.48 35.39 2ron n PHE 19 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ron s PRO 20 N -5.82 2.56 0.28 -1.08 0.04 -1.26 -4.94 135.00 124.78 2ron s PRO 20 Ca 0.41 -0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 2ron s PRO 20 Cb -0.13 -5.01 -0.13 0.00 0.04 0.00 0.00 34.50 29.27 2ron s PRO 20 CO 0.84 -3.32 1.45 1.97 0.04 0.00 0.00 177.00 177.99 2ron n PHE 21 N 13.86 2.43 0.01 0.56 -1.74 -1.26 -4.92 117.46 126.40 2ron n PHE 21 Ca 0.38 0.39 -0.03 0.00 -0.56 0.00 0.00 57.45 57.64 2ron n PHE 21 Cb 0.47 -2.50 -0.02 0.00 1.52 0.00 0.00 39.48 38.96 2ron n PHE 21 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ron h ALA 22 N 4.11 -0.60 -0.45 1.98 0.00 -1.95 -3.40 119.26 118.94 2ron h ALA 22 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ron h ALA 22 Cb 1.26 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2ron h ALA 22 CO 0.74 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2ron n GLY 23 N -1.08 3.14 0.00 0.00 0.00 -1.26 -2.32 105.19 103.66 2ron n GLY 23 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2ron n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 24 N 0.00 0.00 0.22 -0.02 0.00 -1.26 -4.52 105.19 99.61 2ron n GLY 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ron h TYR 25 N 0.00 0.09 0.00 1.61 -0.00 -1.90 -1.39 116.97 115.38 2ron h TYR 25 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.73 58.66 2ron h TYR 25 Cb 0.70 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.40 2ron h TYR 25 CO 0.00 0.32 -0.65 1.03 -0.00 0.00 0.00 178.16 178.86 2ron h SER 26 N 0.08 0.00 0.55 0.10 0.87 -1.68 -2.03 113.55 111.43 2ron h SER 26 Ca 0.01 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 2ron h SER 26 Cb 0.47 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2ron h SER 26 CO 0.03 0.24 -1.24 0.00 -0.53 0.00 0.00 176.83 175.33 2ron h ALA 27 N 1.76 0.09 0.10 6.23 0.00 -1.47 -2.48 119.26 123.49 2ron h ALA 27 Ca -0.03 -0.86 -0.31 0.00 0.00 0.00 0.00 54.91 53.71 2ron h ALA 27 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2ron h ALA 27 CO 0.03 0.92 -1.63 0.66 0.00 0.00 0.00 179.25 179.22 2ron h SER 28 N 0.10 0.32 1.10 0.00 4.64 -1.37 -3.33 113.55 115.01 2ron h SER 28 Ca -0.15 -0.50 -0.06 0.00 -0.47 0.00 0.00 61.79 60.61 2ron h SER 28 Cb 1.96 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 2ron h SER 28 CO 0.21 1.43 -0.27 0.15 -0.87 0.00 0.00 176.83 177.48 2ron h PHE 29 N 0.06 0.00 0.73 4.77 3.57 -1.49 -2.71 116.94 121.86 2ron h PHE 29 Ca -0.28 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 2ron h PHE 29 Cb 2.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 2ron h PHE 29 CO 0.05 0.27 -0.49 0.00 -2.23 0.00 0.00 178.31 175.91 2ron h ARG 30 N 0.00 -1.11 -0.37 1.11 3.08 -1.55 -1.61 114.38 113.92 2ron h ARG 30 Ca -0.00 0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 2ron h ARG 30 Cb 0.89 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2ron h ARG 30 CO 0.03 -0.74 -0.36 -1.00 -1.07 0.00 0.00 179.97 176.83 2ron h PRO 31 N -1.16 0.90 -0.82 0.04 0.13 -1.72 0.06 132.00 129.42 2ron h PRO 31 Ca -0.10 -0.47 0.12 0.00 -0.87 0.00 0.00 66.00 64.69 2ron h PRO 31 Cb 0.94 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.00 2ron h PRO 31 CO 0.07 1.12 0.43 1.25 -0.23 0.00 0.00 178.00 180.64 2ron h LEU 32 N 0.71 0.56 0.00 1.56 7.12 -1.47 0.15 115.31 123.94 2ron h LEU 32 Ca 0.06 0.08 -0.17 0.00 0.13 0.00 0.00 57.88 57.97 2ron h LEU 32 Cb 0.95 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.03 2ron h LEU 32 CO 0.09 0.27 -1.16 -0.74 -0.13 0.00 0.00 178.44 176.77 2ron h HIS 33 N 0.67 0.00 0.00 1.25 2.76 -1.26 -2.91 115.15 115.65 2ron h HIS 33 Ca 0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2ron h HIS 33 Cb 0.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2ron h HIS 33 CO -0.09 0.66 0.00 0.00 -1.30 0.00 0.00 177.93 177.20 2ron n ALA 34 N -2.36 2.14 -0.07 5.26 0.00 0.00 -0.04 120.51 125.44 2ron n ALA 34 Ca -0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 2ron n ALA 34 Cb 0.85 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 2ron n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ron n PHE 35 N -1.43 0.00 0.06 0.00 -0.00 0.43 -4.56 117.46 111.95 2ron n PHE 35 Ca 0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.63 2ron n PHE 35 Cb 0.25 -0.62 -0.07 0.00 -0.00 0.00 0.00 39.48 39.04 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2ron n LEU 36 N -2.59 0.51 -4.15 -2.13 7.94 -1.10 -4.99 117.00 110.48 2ron n LEU 36 Ca -0.23 0.20 -0.16 0.00 -1.11 0.00 0.00 56.01 54.72 2ron n LEU 36 Cb 0.88 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.74 2ron n LEU 36 CO 0.24 -0.10 0.03 -1.10 -1.11 0.00 0.00 177.39 175.35 2ron s GLN 37 N -3.41 1.78 -0.26 1.96 1.11 0.95 -5.06 119.66 116.72 2ron s GLN 37 Ca -0.04 -1.80 -0.29 0.00 0.01 0.00 0.00 55.36 53.24 2ron s GLN 37 Cb 0.11 0.39 0.18 0.00 -1.01 0.00 0.00 33.01 32.69 2ron s GLN 37 CO 0.84 -0.71 1.29 0.20 0.01 0.00 0.00 175.29 176.92 2ron s GLY 38 N -3.26 0.02 -1.18 3.09 0.00 -1.26 -4.04 107.32 100.69 2ron s GLY 38 Ca 0.34 2.69 -0.12 0.00 0.00 0.00 0.00 44.72 47.63 2ron s GLY 38 CO 0.21 1.10 0.77 1.18 0.00 0.00 0.00 173.10 176.36 2ron n GLU 39 N 0.57 -2.46 -4.01 2.90 1.02 -1.26 -4.99 120.64 112.41 2ron n GLU 39 Ca -0.02 0.57 -0.26 0.00 -0.02 0.00 0.00 57.16 57.43 2ron n GLU 39 Cb 0.59 -4.72 -0.04 0.00 -0.02 0.00 0.00 31.44 27.24 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ron n GLU 41 N -0.56 1.90 -4.40 0.00 2.13 0.72 -4.73 120.64 115.69 2ron n GLU 41 Ca -0.08 0.54 -0.34 0.00 0.66 0.00 0.00 57.16 57.94 2ron n GLU 41 Cb 0.55 -3.10 -0.11 0.00 0.27 0.00 0.00 31.44 29.05 2ron n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ron s MET 42 N 6.17 3.24 -0.23 5.31 0.23 -0.41 -2.56 119.30 131.04 2ron s MET 42 Ca 1.01 -0.47 -0.22 0.00 -1.03 0.00 0.00 55.69 54.98 2ron s MET 42 Cb -0.43 -2.83 0.06 0.00 -1.53 0.00 0.00 34.83 30.11 2ron s MET 42 CO 0.38 0.51 0.63 -0.48 -2.03 0.00 0.00 175.02 174.04 2ron s LEU 43 N -0.37 -0.43 0.07 0.18 0.05 -1.08 -0.01 118.68 117.09 2ron s LEU 43 Ca 0.07 1.26 0.02 0.00 0.05 0.00 0.00 54.13 55.53 2ron s LEU 43 Cb -0.12 2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 46.17 2ron s LEU 43 CO 0.02 -0.23 -0.07 0.00 -0.55 0.00 0.00 176.35 175.52 2ron s ALA 44 N 0.30 0.76 -0.10 1.48 0.00 0.26 -2.42 121.76 122.06 2ron s ALA 44 Ca -0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 2ron s ALA 44 Cb -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2ron s ALA 44 CO 0.01 -0.12 0.71 0.00 0.00 0.00 0.00 175.76 176.36 2ron s ALA 45 N -2.44 3.39 0.28 0.00 0.00 -0.87 -0.92 121.76 121.19 2ron s ALA 45 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.12 2ron s ALA 45 Cb -0.03 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2ron s ALA 45 CO -0.02 -0.23 0.08 -1.21 0.00 0.00 0.00 175.76 174.37 2ron s GLU 46 N 1.12 2.47 0.83 0.00 0.41 0.96 -4.74 118.70 119.76 2ron s GLU 46 Ca 0.37 -1.35 -0.11 0.00 -0.41 0.00 0.00 54.97 53.47 2ron s GLU 46 Cb -0.17 -2.27 0.09 0.00 -1.78 0.00 0.00 34.13 30.00 2ron s GLU 46 CO 0.16 0.32 1.09 -1.25 -0.49 0.00 0.00 175.26 175.10 2ron s PRO 47 N -3.75 1.76 0.91 0.39 0.04 -1.26 -2.21 135.00 130.88 2ron s PRO 47 Ca 0.33 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2ron s PRO 47 Cb -0.06 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.76 2ron s PRO 47 CO 0.22 -1.94 1.09 -1.25 0.04 0.00 0.00 177.00 175.16 2ron s PRO 48 N -4.92 1.17 0.00 0.56 0.04 -1.26 -3.31 135.00 127.28 2ron s PRO 48 Ca 0.62 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2ron s PRO 48 Cb -0.18 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2ron s PRO 48 CO 0.56 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.72 2ron n GLY 49 N -1.13 0.00 3.06 0.56 0.00 -1.25 -4.92 105.19 101.51 2ron n GLY 49 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2ron n GLY 49 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ron s HIS 50 N -1.29 -1.53 0.00 1.61 2.46 -1.26 -5.07 115.29 110.20 2ron s HIS 50 Ca 0.00 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.30 2ron s HIS 50 Cb 0.00 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.58 2ron s HIS 50 CO 0.00 -1.05 0.00 0.41 -2.47 0.00 0.00 174.74 171.63 2ron n GLY 51 N 5.37 4.17 0.42 1.59 0.00 -1.26 -4.59 105.19 110.89 2ron n GLY 51 Ca 0.03 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2ron n GLY 51 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ron n THR 52 N -1.60 1.18 0.00 2.61 5.66 -1.26 -0.10 114.28 120.77 2ron n THR 52 Ca 0.00 -1.60 0.00 0.00 -3.05 0.00 0.00 64.05 59.40 2ron n THR 52 Cb 0.00 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 2ron n THR 52 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ron n ASN 53 N -0.76 2.45 -4.78 1.09 5.03 -1.26 -4.83 115.26 112.19 2ron n ASN 53 Ca 0.11 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.15 2ron n ASN 53 Cb 0.72 0.02 -0.00 0.00 -1.02 0.00 0.00 39.78 39.50 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2ron s GLN 54 N -1.60 4.11 -0.23 3.52 -0.21 -1.26 -4.86 119.66 119.12 2ron s GLN 54 Ca 0.00 2.54 -0.08 0.00 0.02 0.00 0.00 55.36 57.83 2ron s GLN 54 Cb 0.00 -2.96 0.10 0.00 1.00 0.00 0.00 33.01 31.15 2ron s GLN 54 CO 0.00 -0.52 0.50 0.99 -2.12 0.00 0.00 175.29 174.14 2ron s THR 55 N -1.13 -0.67 0.25 -0.19 2.01 -1.26 -2.70 115.64 111.95 2ron s THR 55 Ca 0.53 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2ron s THR 55 Cb -0.46 -0.78 0.23 0.00 0.01 0.00 0.00 72.50 71.50 2ron s THR 55 CO 0.62 0.04 1.75 -1.28 -0.69 0.00 0.00 174.62 175.06 2ron h SER 56 N 7.98 0.39 -2.95 3.53 0.87 -1.94 -3.46 113.55 117.98 2ron h SER 56 Ca -0.19 0.10 -0.38 0.00 -1.23 0.00 0.00 61.79 60.10 2ron h SER 56 Cb 1.12 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2ron h SER 56 CO 0.13 0.16 -0.50 0.00 -0.53 0.00 0.00 176.83 176.09 2ron n ALA 57 N -2.47 -0.62 -3.47 6.23 0.00 -1.26 -2.95 120.51 115.98 2ron n ALA 57 Ca 0.15 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 2ron n ALA 57 Cb 0.42 -2.32 0.06 0.00 0.00 0.00 0.00 19.45 17.60 2ron n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ron n ILE 58 N -4.09 -7.51 -0.05 0.00 -0.00 -1.26 -4.92 119.36 101.52 2ron n ILE 58 Ca -0.20 -1.16 0.04 0.00 -0.00 0.00 0.00 62.75 61.43 2ron n ILE 58 Cb 0.66 -5.43 0.09 0.00 -0.00 0.00 0.00 39.64 34.96 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2ron n GLU 59 N -3.72 2.48 -0.31 0.38 1.02 -1.15 -4.65 120.64 114.69 2ron n GLU 59 Ca -0.08 -1.74 0.14 0.00 -0.02 0.00 0.00 57.16 55.46 2ron n GLU 59 Cb 0.61 -1.18 0.38 0.00 -0.02 0.00 0.00 31.44 31.23 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ron h ASP 60 N 1.41 0.67 0.03 1.62 3.04 -1.91 0.21 116.42 121.49 2ron h ASP 60 Ca 0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 2ron h ASP 60 Cb 0.61 -0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 38.83 2ron h ASP 60 CO 0.00 0.27 -0.17 0.25 -2.04 0.00 0.00 179.24 177.55 2ron h LEU 61 N 0.67 -0.52 -1.66 0.15 7.12 -2.00 -0.45 115.31 118.62 2ron h LEU 61 Ca 0.53 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.59 2ron h LEU 61 Cb 0.94 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2ron h LEU 61 CO -0.29 -0.18 0.00 -0.08 -0.13 0.00 0.00 178.44 177.76 2ron h GLU 62 N -0.24 0.00 0.51 1.25 4.57 -1.84 -1.20 114.58 117.63 2ron h GLU 62 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2ron h GLU 62 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2ron h GLU 62 CO -0.10 0.00 -0.24 1.49 -1.18 0.00 0.00 179.01 178.98 2ron h GLU 63 N 0.00 -0.66 -0.08 1.92 4.57 0.34 -2.14 114.58 118.55 2ron h GLU 63 Ca 0.00 0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 2ron h GLU 63 Cb 0.42 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2ron h GLU 63 CO 0.00 -0.44 -0.29 -0.07 -1.18 0.00 0.00 179.01 177.04 2ron h LEU 64 N -0.78 0.38 -1.83 1.64 3.38 -1.14 0.25 115.31 117.21 2ron h LEU 64 Ca -0.07 -0.63 0.28 0.00 0.09 0.00 0.00 57.88 57.55 2ron h LEU 64 Cb 0.52 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2ron h LEU 64 CO 0.11 0.95 0.70 0.74 0.09 0.00 0.00 178.44 181.03 2ron h THR 65 N -0.16 0.52 0.05 0.22 2.02 -1.34 0.25 112.91 114.47 2ron h THR 65 Ca -0.01 -0.04 -0.38 0.00 0.77 0.00 0.00 66.41 66.75 2ron h THR 65 Cb 0.92 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2ron h THR 65 CO 0.06 0.02 -2.29 -0.67 0.37 0.00 0.00 175.52 173.01 2ron n ASP 66 N -4.34 1.95 0.13 4.18 2.03 -0.80 -1.85 116.55 117.85 2ron n ASP 66 Ca 0.22 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.63 2ron n ASP 66 Cb 0.99 -0.53 0.50 0.00 -0.72 0.00 0.00 41.12 41.37 2ron n ASP 66 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ron n LEU 67 N -3.32 0.55 -0.03 -2.67 4.77 0.87 0.04 117.00 117.21 2ron n LEU 67 Ca -0.40 0.70 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 2ron n LEU 67 Cb 1.02 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2ron n LEU 67 CO 0.33 -0.74 -0.72 -1.22 -1.33 0.00 0.00 177.39 173.71 2ron n TYR 68 N -2.18 0.00 -0.51 -1.77 4.01 0.79 -4.67 117.16 112.83 2ron n TYR 68 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2ron n TYR 68 Cb 0.12 -0.24 0.21 0.00 -0.31 0.00 0.00 39.34 39.12 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ron n LYS 69 N -3.16 2.79 -0.36 -0.72 4.76 -0.77 -4.57 118.16 116.12 2ron n LYS 69 Ca -0.13 -2.24 0.30 0.00 -2.87 0.00 0.00 58.31 53.38 2ron n LYS 69 Cb 0.60 -1.95 0.56 0.00 -1.84 0.00 0.00 35.03 32.40 2ron n LYS 69 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 2ron h GLN 70 N 1.72 0.16 -5.19 1.97 3.07 -0.55 -0.05 115.11 116.24 2ron h GLN 70 Ca 0.25 -0.01 -0.67 0.00 0.09 0.00 0.00 58.65 58.32 2ron h GLN 70 Cb 2.01 -0.04 -0.17 0.00 0.08 0.00 0.00 27.48 29.37 2ron h GLN 70 CO 0.60 0.11 0.15 -1.21 0.09 0.00 0.00 178.83 178.57 2ron s GLU 71 N -5.51 3.18 -1.06 0.06 0.41 -1.26 -4.25 118.70 110.27 2ron s GLU 71 Ca -0.09 -0.69 -0.02 0.00 -0.41 0.00 0.00 54.97 53.76 2ron s GLU 71 Cb 0.31 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.60 2ron s GLU 71 CO 0.80 -1.23 0.90 1.28 -0.49 0.00 0.00 175.26 176.52 2ron n LEU 72 N 6.41 -3.64 -4.38 1.80 4.77 -1.24 -4.96 117.00 115.75 2ron n LEU 72 Ca -0.04 -0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 55.09 2ron n LEU 72 Cb 0.46 -2.75 0.13 0.00 -2.33 0.00 0.00 43.42 38.93 2ron n LEU 72 CO 0.55 0.38 -0.19 -0.46 -1.33 0.00 0.00 177.39 176.34 2ron n ASN 73 N -2.74 -2.18 -3.68 -1.43 6.94 -0.03 -5.03 115.26 107.10 2ron n ASN 73 Ca -0.20 0.24 -0.21 0.00 -0.02 0.00 0.00 54.58 54.39 2ron n ASN 73 Cb 0.63 -1.15 -0.05 0.00 -2.36 0.00 0.00 39.78 36.85 2ron n ASN 73 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2ron n LEU 74 N -1.36 0.00 -4.71 -4.53 4.77 -1.26 -5.09 117.00 104.82 2ron n LEU 74 Ca 0.05 -2.17 -0.31 0.00 -0.03 0.00 0.00 56.01 53.55 2ron n LEU 74 Cb 0.55 0.34 0.13 0.00 -2.33 0.00 0.00 43.42 42.12 2ron n LEU 74 CO 0.51 -0.31 0.70 -0.13 -1.33 0.00 0.00 177.39 176.82 2ron s ARG 75 N -3.21 1.56 0.00 3.23 3.00 -1.26 -5.03 118.95 117.23 2ron s ARG 75 Ca 0.03 1.43 0.00 0.00 0.00 0.00 0.00 55.73 57.19 2ron s ARG 75 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 34.95 33.15 2ron s ARG 75 CO 0.02 -2.21 0.00 -0.35 0.00 0.00 0.00 175.30 172.76 2ron n PRO 76 N -3.84 -0.51 -3.27 3.54 -0.04 -1.26 -5.01 135.00 124.62 2ron n PRO 76 Ca 0.11 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 2ron n PRO 76 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 6.90 0.02 3.54 1.11 -1.26 -5.01 116.67 120.46 2ron s ASP 77 Ca 0.00 1.08 -0.27 0.00 0.18 0.00 0.00 52.55 53.54 2ron s ASP 77 Cb 0.00 -2.34 -0.15 0.00 1.07 0.00 0.00 42.92 41.51 2ron s ASP 77 CO 0.00 0.12 1.13 0.03 1.18 0.00 0.00 175.17 177.63 2ron h ARG 78 N 5.67 -0.93 -7.13 8.23 3.08 -1.92 -3.45 114.38 117.92 2ron h ARG 78 Ca -0.45 0.06 -0.50 0.00 0.07 0.00 0.00 59.98 59.16 2ron h ARG 78 Cb 1.20 0.21 0.08 0.00 0.08 0.00 0.00 29.97 31.54 2ron h ARG 78 CO 0.69 -0.62 0.41 -1.25 -1.07 0.00 0.00 179.97 178.13 2ron s PRO 79 N -4.71 3.14 -0.28 0.04 0.04 -1.26 -4.41 135.00 127.57 2ron s PRO 79 Ca -0.14 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 2ron s PRO 79 Cb 0.01 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.66 2ron s PRO 79 CO 0.42 -1.00 0.79 0.12 0.04 0.00 0.00 177.00 177.37 2ron s PHE 80 N -1.99 -0.86 -0.06 0.56 5.36 -0.70 -3.54 117.98 116.75 2ron s PHE 80 Ca 0.70 1.81 0.01 0.00 -0.96 0.00 0.00 56.93 58.49 2ron s PHE 80 Cb -0.22 0.48 0.02 0.00 -0.34 0.00 0.00 43.02 42.96 2ron s PHE 80 CO 0.33 -0.42 -0.05 0.14 -1.46 0.00 0.00 175.22 173.75 2ron s VAL 81 N 1.22 0.67 -0.12 3.12 -7.23 -0.61 -3.81 120.40 113.64 2ron s VAL 81 Ca -0.07 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 2ron s VAL 81 Cb -0.05 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 2ron s VAL 81 CO -0.14 0.27 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.55 2ron s LEU 82 N 1.11 2.64 -0.41 1.32 0.20 -1.23 0.00 118.68 122.31 2ron s LEU 82 Ca -0.08 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.44 2ron s LEU 82 Cb -0.14 -1.58 0.11 0.00 -0.43 0.00 0.00 46.19 44.16 2ron s LEU 82 CO -0.01 0.19 0.15 -0.36 -0.29 0.00 0.00 176.35 176.02 2ron s PHE 83 N 0.21 3.09 0.00 5.38 0.08 -0.84 -4.13 117.98 121.77 2ron s PHE 83 Ca -0.09 -2.83 0.00 0.00 0.12 0.00 0.00 56.93 54.13 2ron s PHE 83 Cb -0.15 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2ron s PHE 83 CO 0.05 -0.85 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 2ron n GLY 84 N 3.88 1.20 3.47 4.36 0.00 -1.26 -2.59 105.19 114.24 2ron n GLY 84 Ca 0.04 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 2ron n GLY 84 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ron s HIS 85 N 2.79 -0.15 0.63 1.61 -3.43 -1.26 -4.84 115.29 110.64 2ron s HIS 85 Ca 0.00 -0.18 0.33 0.00 -0.80 0.00 0.00 55.06 54.41 2ron s HIS 85 Cb 0.00 0.37 1.81 0.00 -1.43 0.00 0.00 32.58 33.33 2ron s HIS 85 CO 0.00 -0.87 2.09 0.77 -2.00 0.00 0.00 174.74 174.73 2ron h SER 86 N 2.22 0.00 0.01 7.38 0.02 -1.98 -2.96 113.55 118.24 2ron h SER 86 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2ron h SER 86 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2ron h SER 86 CO 0.39 0.00 -0.04 0.24 -1.14 0.00 0.00 176.83 176.28 2ron h MET 87 N 0.00 -0.06 0.00 3.45 2.86 -1.99 -3.50 114.93 115.70 2ron h MET 87 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2ron h MET 87 Cb 0.49 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2ron h MET 87 CO -0.00 -0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.34 2ron n GLY 88 N -1.04 -0.10 0.00 8.32 0.00 -1.12 -5.08 105.19 106.17 2ron n GLY 88 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2ron n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 89 N 0.00 0.55 0.33 -0.02 0.00 -1.26 -4.62 105.19 100.17 2ron n GLY 89 Ca 0.00 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 45.99 2ron n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ron h MET 90 N 0.00 0.00 0.10 1.61 -0.00 -1.94 -0.59 114.93 114.11 2ron h MET 90 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.42 2ron h MET 90 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.62 2ron h MET 90 CO 0.00 0.00 -1.18 0.82 -0.00 0.00 0.00 176.91 176.55 2ron h ILE 91 N 0.00 1.38 -0.40 -0.10 2.04 -1.96 -1.33 117.51 117.14 2ron h ILE 91 Ca 0.04 -2.65 -0.07 0.00 1.00 0.00 0.00 64.86 63.18 2ron h ILE 91 Cb 0.32 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2ron h ILE 91 CO -0.00 0.79 -0.04 0.74 0.00 0.00 0.00 178.15 179.64 2ron h THR 92 N 0.20 1.27 -0.03 -0.27 2.02 -1.51 -2.50 112.91 112.09 2ron h THR 92 Ca -0.15 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 2ron h THR 92 Cb 1.86 1.17 0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2ron h THR 92 CO 0.21 0.36 -0.34 0.15 0.37 0.00 0.00 175.52 176.27 2ron h PHE 93 N 0.54 0.40 -0.76 3.16 3.04 -1.52 -2.12 116.94 119.68 2ron h PHE 93 Ca 0.11 -0.20 0.15 0.00 3.98 0.00 0.00 57.97 62.01 2ron h PHE 93 Cb 0.53 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 38.89 2ron h PHE 93 CO 0.04 0.97 0.27 -0.09 -2.02 0.00 0.00 178.31 177.49 2ron h ARG 94 N -0.28 0.38 -0.15 1.11 2.43 -1.27 0.26 114.38 116.86 2ron h ARG 94 Ca -0.03 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.95 2ron h ARG 94 Cb 1.04 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2ron h ARG 94 CO 0.07 0.25 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.15 2ron h LEU 95 N 0.39 0.74 0.68 3.80 3.38 -1.50 -2.13 115.31 120.66 2ron h LEU 95 Ca 0.43 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2ron h LEU 95 Cb 0.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ron h LEU 95 CO -0.45 1.23 -0.36 0.00 0.09 0.00 0.00 178.44 178.96 2ron h ALA 96 N 0.53 -1.23 -0.55 1.53 0.00 -0.52 0.48 119.26 119.49 2ron h ALA 96 Ca -0.03 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2ron h ALA 96 Cb 1.18 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2ron h ALA 96 CO 0.12 -1.17 0.20 0.37 0.00 0.00 0.00 179.25 178.76 2ron h GLN 97 N -0.95 0.36 -0.56 0.00 5.75 -0.67 -0.83 115.11 118.22 2ron h GLN 97 Ca -0.09 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.45 2ron h GLN 97 Cb 0.74 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.15 2ron h GLN 97 CO 0.13 0.24 0.27 -0.22 -2.65 0.00 0.00 178.83 176.60 2ron h LYS 98 N 0.37 0.49 -0.14 1.69 3.64 -1.31 0.24 116.57 121.55 2ron h LYS 98 Ca 0.27 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2ron h LYS 98 Cb 0.31 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2ron h LYS 98 CO -0.28 0.33 -0.15 1.25 -2.27 0.00 0.00 179.45 178.33 2ron h LEU 99 N 0.51 0.22 0.12 5.20 5.85 -0.03 -0.24 115.31 126.95 2ron h LEU 99 Ca 0.26 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2ron h LEU 99 Cb 0.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2ron h LEU 99 CO -0.20 0.40 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.91 2ron h GLU 100 N 0.22 -0.15 -1.00 1.25 3.07 0.11 -0.81 114.58 117.27 2ron h GLU 100 Ca 0.04 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.95 2ron h GLU 100 Cb 0.41 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 2ron h GLU 100 CO 0.03 0.31 0.66 0.07 -1.40 0.00 0.00 179.01 178.67 2ron h ARG 101 N -0.89 1.23 -0.02 2.33 0.11 -0.53 0.33 114.38 116.94 2ron h ARG 101 Ca -0.02 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 59.84 2ron h ARG 101 Cb 0.54 -0.28 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 2ron h ARG 101 CO 0.03 0.82 -0.69 1.05 0.10 0.00 0.00 179.97 181.27 2ron h GLU 102 N 1.27 0.10 0.09 0.08 4.11 -1.12 -3.23 114.58 115.87 2ron h GLU 102 Ca 0.40 -0.09 -0.27 0.00 0.07 0.00 0.00 59.36 59.48 2ron h GLU 102 Cb -0.00 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2ron h GLU 102 CO -0.12 0.75 -1.14 0.78 0.07 0.00 0.00 179.01 179.34 2ron h GLY 103 N 1.83 0.48 -5.71 1.06 0.00 -0.22 -3.47 103.07 97.05 2ron h GLY 103 Ca -0.01 -1.01 0.15 0.00 0.00 0.00 0.00 47.33 46.46 2ron h GLY 103 CO 0.10 0.89 0.30 -1.50 0.00 0.00 0.00 176.54 176.33 2ron s ILE 104 N -2.96 -0.29 -0.01 2.60 1.10 0.11 -4.83 121.20 116.91 2ron s ILE 104 Ca -0.06 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 59.86 2ron s ILE 104 Cb 0.07 -1.00 -0.14 0.00 0.15 0.00 0.00 42.46 41.54 2ron s ILE 104 CO 0.89 0.00 0.98 0.15 -2.11 0.00 0.00 174.94 174.85 2ron h PHE 105 N 6.87 -0.52 -0.87 3.50 3.57 -1.77 -3.38 116.94 124.34 2ron h PHE 105 Ca -0.21 -0.01 -0.32 0.00 3.53 0.00 0.00 57.97 60.96 2ron h PHE 105 Cb 1.15 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 2ron h PHE 105 CO 0.17 -0.20 0.81 -1.25 -2.23 0.00 0.00 178.31 175.60 2ron s PRO 106 N -4.09 2.56 0.15 6.41 0.04 -1.26 -4.96 135.00 133.85 2ron s PRO 106 Ca -0.12 -0.18 0.01 0.00 0.04 0.00 0.00 61.00 60.75 2ron s PRO 106 Cb 0.01 -4.98 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 2ron s PRO 106 CO 0.42 -3.30 0.30 -0.65 0.04 0.00 0.00 177.00 173.82 2ron s GLN 107 N 7.01 3.47 0.00 4.56 1.11 -1.26 -4.90 119.66 129.65 2ron s GLN 107 Ca 0.70 -0.47 0.00 0.00 0.01 0.00 0.00 55.36 55.59 2ron s GLN 107 Cb -0.07 -2.94 0.00 0.00 -1.01 0.00 0.00 33.01 28.99 2ron s GLN 107 CO 0.02 0.50 0.00 0.00 0.01 0.00 0.00 175.29 175.82 2ron n ALA 108 N -0.39 0.00 -2.76 6.09 0.00 -1.26 -4.97 120.51 117.22 2ron n ALA 108 Ca -0.06 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 2ron n ALA 108 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2ron n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ron s VAL 109 N -0.45 5.36 -0.16 0.00 -7.23 -1.26 -3.53 120.40 113.14 2ron s VAL 109 Ca 0.00 0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 60.49 2ron s VAL 109 Cb 0.00 -3.51 0.05 0.00 0.56 0.00 0.00 36.38 33.49 2ron s VAL 109 CO 0.00 0.59 0.38 -0.63 -0.31 0.00 0.00 175.10 175.12 2ron s ILE 110 N -0.88 -0.03 -0.06 -0.62 1.01 -0.98 -1.72 121.20 117.93 2ron s ILE 110 Ca 0.17 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.95 2ron s ILE 110 Cb -0.13 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2ron s ILE 110 CO 0.06 0.04 -0.17 -0.51 0.00 0.00 0.00 174.94 174.36 2ron s ILE 111 N 1.24 1.48 -0.16 2.92 -1.16 -1.25 -3.03 121.20 121.24 2ron s ILE 111 Ca -0.08 -0.72 -0.04 0.00 -0.51 0.00 0.00 60.65 59.29 2ron s ILE 111 Cb -0.08 -1.29 -0.03 0.00 0.61 0.00 0.00 42.46 41.67 2ron s ILE 111 CO -0.11 0.43 -0.01 -0.94 -2.81 0.00 0.00 174.94 171.50 2ron s SER 112 N 0.23 5.03 0.30 4.50 1.04 -1.09 -3.58 113.70 120.13 2ron s SER 112 Ca -0.09 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.32 2ron s SER 112 Cb -0.14 -1.80 -0.06 0.00 0.10 0.00 0.00 66.02 64.12 2ron s SER 112 CO 0.04 0.19 0.04 0.00 0.98 0.00 0.00 173.24 174.49 2ron s ALA 113 N 0.26 2.23 -0.93 5.32 0.00 -1.26 -2.36 121.76 125.02 2ron s ALA 113 Ca -0.01 -1.99 -0.02 0.00 0.00 0.00 0.00 51.96 49.94 2ron s ALA 113 Cb -0.13 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2ron s ALA 113 CO 0.02 -0.29 0.79 -0.89 0.00 0.00 0.00 175.76 175.39 2ron n ILE 114 N -0.62 -6.19 -2.77 0.00 5.41 -1.26 -4.72 119.36 109.21 2ron n ILE 114 Ca -0.03 -0.73 -0.43 0.00 1.00 0.00 0.00 62.75 62.57 2ron n ILE 114 Cb 0.66 -5.16 -0.03 0.00 -0.71 0.00 0.00 39.64 34.39 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -4.68 3.78 1.01 0.38 1.11 -1.25 -4.57 119.66 115.43 2ron s GLN 115 Ca 0.17 0.53 -0.12 0.00 0.01 0.00 0.00 55.36 55.95 2ron s GLN 115 Cb -0.02 -3.83 0.19 0.00 -1.01 0.00 0.00 33.01 28.34 2ron s GLN 115 CO 0.60 -1.05 1.09 -1.25 0.01 0.00 0.00 175.29 174.70 2ron s PRO 116 N 3.66 0.37 0.10 2.91 0.04 -1.26 -3.29 135.00 137.53 2ron s PRO 116 Ca 0.40 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 2ron s PRO 116 Cb -0.11 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 2ron s PRO 116 CO 0.21 -2.77 1.43 -1.00 0.04 0.00 0.00 177.00 174.92 2ron h PRO 117 N -1.92 0.72 -6.63 0.56 0.13 -1.91 -3.44 132.00 119.52 2ron h PRO 117 Ca -0.55 -0.37 -0.46 0.00 -0.87 0.00 0.00 66.00 63.75 2ron h PRO 117 Cb 1.33 0.01 0.24 0.00 0.13 0.00 0.00 31.00 32.71 2ron h PRO 117 CO 0.58 0.99 -1.19 -2.39 -0.23 0.00 0.00 178.00 175.76 2ron n HIS 118 N -4.26 -1.41 -3.54 1.56 1.44 -1.26 -4.79 115.22 102.96 2ron n HIS 118 Ca -0.04 0.17 -0.15 0.00 -2.01 0.00 0.00 57.72 55.70 2ron n HIS 118 Cb 0.47 -1.55 -0.05 0.00 0.12 0.00 0.00 29.99 28.97 2ron n HIS 118 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2ron s ILE 119 N -2.22 0.00 0.39 0.61 -5.25 -1.26 -4.71 121.20 108.76 2ron s ILE 119 Ca 0.55 0.00 -0.27 0.00 -0.99 0.00 0.00 60.65 59.94 2ron s ILE 119 Cb -0.10 -1.00 -0.10 0.00 2.95 0.00 0.00 42.46 44.21 2ron s ILE 119 CO 0.66 0.00 1.41 -1.58 -1.79 0.00 0.00 174.94 173.64 2ron s GLN 120 N -1.34 4.02 -0.12 0.37 2.00 -1.26 -4.83 119.66 118.50 2ron s GLN 120 Ca -0.07 2.40 -0.19 0.00 -2.00 0.00 0.00 55.36 55.51 2ron s GLN 120 Cb -0.00 -2.87 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 2ron s GLN 120 CO 0.05 -0.54 0.51 0.50 -0.50 0.00 0.00 175.29 175.32 2ron s ARG 121 N -2.15 4.34 0.27 1.67 3.52 -1.26 -4.92 118.95 120.41 2ron s ARG 121 Ca 0.55 0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 56.53 2ron s ARG 121 Cb -0.43 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2ron s ARG 121 CO 0.57 0.11 0.51 0.15 -0.81 0.00 0.00 175.30 175.83 2ron s LYS 122 N 0.76 1.64 -0.24 5.12 1.02 -1.26 -5.09 119.74 121.69 2ron s LYS 122 Ca 0.27 -1.31 -0.15 0.00 0.02 0.00 0.00 55.97 54.81 2ron s LYS 122 Cb -0.15 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 2ron s LYS 122 CO 0.11 -0.69 0.36 0.21 -0.92 0.00 0.00 175.35 174.42 2ron s LYS 123 N -3.81 4.08 -0.02 1.68 2.20 -1.26 -4.70 119.74 117.92 2ron s LYS 123 Ca 0.22 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 2ron s LYS 123 Cb -0.01 -3.60 0.08 0.00 -1.51 0.00 0.00 37.83 32.79 2ron s LYS 123 CO 0.10 -0.15 0.71 0.54 -0.36 0.00 0.00 175.35 176.20 2ron s VAL 124 N 1.66 0.00 -0.38 4.02 0.11 -1.26 -5.03 120.40 119.52 2ron s VAL 124 Ca 0.16 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.28 2ron s VAL 124 Cb -0.15 -1.00 0.59 0.00 -1.53 0.00 0.00 36.38 34.29 2ron s VAL 124 CO 0.08 0.00 1.60 -0.24 -3.33 0.00 0.00 175.10 173.22 2ron n SER 125 N 0.58 4.16 0.08 3.54 2.88 -1.26 -4.60 113.62 119.01 2ron n SER 125 Ca -0.17 -3.00 -0.04 0.00 -1.33 0.00 0.00 58.87 54.33 2ron n SER 125 Cb 0.59 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2ron h HIS 126 N 1.96 -0.26 -3.36 0.66 6.17 -2.01 -3.46 115.15 114.85 2ron h HIS 126 Ca 0.25 -0.00 -0.35 0.00 0.71 0.00 0.00 60.37 60.98 2ron h HIS 126 Cb 2.08 0.10 -0.15 0.00 2.52 0.00 0.00 27.41 31.95 2ron h HIS 126 CO 1.06 -0.14 -0.72 -0.51 0.71 0.00 0.00 177.93 178.33 2ron s LEU 127 N -5.38 2.52 0.00 0.26 1.43 -1.26 -5.03 118.68 111.22 2ron s LEU 127 Ca -0.04 -0.98 0.14 0.00 -1.03 0.00 0.00 54.13 52.22 2ron s LEU 127 Cb 0.01 -0.40 0.63 0.00 0.03 0.00 0.00 46.19 46.46 2ron s LEU 127 CO 0.12 -0.29 1.44 -0.81 0.23 0.00 0.00 176.35 177.04 2ron n PRO 128 N -0.11 0.04 -0.27 1.29 -0.04 -1.26 -2.25 135.00 132.41 2ron n PRO 128 Ca -0.11 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2ron n PRO 128 Cb 0.60 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.73 2ron n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ron n ASP 129 N -1.45 2.11 0.29 3.54 8.00 -1.26 -4.80 116.55 122.98 2ron n ASP 129 Ca 0.04 -3.39 -0.12 0.00 0.71 0.00 0.00 54.79 52.03 2ron n ASP 129 Cb 0.16 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ron h ASP 130 N 0.37 -0.65 -0.84 -2.24 3.58 -1.81 -2.12 116.42 112.71 2ron h ASP 130 Ca -0.00 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.55 2ron h ASP 130 Cb 1.00 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.16 2ron h ASP 130 CO 0.00 -0.38 0.55 -0.61 -2.88 0.00 0.00 179.24 175.92 2ron h GLN 131 N -0.94 0.84 0.20 0.28 4.15 -1.84 0.25 115.11 118.05 2ron h GLN 131 Ca -0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2ron h GLN 131 Cb 0.59 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2ron h GLN 131 CO 0.13 0.56 -0.14 0.35 -1.93 0.00 0.00 178.83 177.80 2ron h PHE 132 N 0.86 -0.37 0.00 3.99 3.57 -1.87 -2.07 116.94 121.06 2ron h PHE 132 Ca 0.37 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2ron h PHE 132 Cb 0.32 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2ron h PHE 132 CO -0.00 -0.20 -0.04 1.37 -2.23 0.00 0.00 178.31 177.21 2ron h LEU 133 N -0.32 0.00 -0.23 0.59 8.10 -1.26 -1.10 115.31 121.09 2ron h LEU 133 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2ron h LEU 133 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2ron h LEU 133 CO 0.02 0.04 0.13 0.44 -4.11 0.00 0.00 178.44 174.96 2ron h ASP 134 N 0.00 0.28 0.24 0.17 5.19 -0.15 -1.90 116.42 120.25 2ron h ASP 134 Ca -0.00 -0.07 -0.34 0.00 -0.62 0.00 0.00 57.03 55.99 2ron h ASP 134 Cb 0.20 -0.07 0.02 0.00 0.18 0.00 0.00 39.33 39.66 2ron h ASP 134 CO 0.01 0.27 -1.61 -0.74 -3.12 0.00 0.00 179.24 174.04 2ron h HIS 135 N 0.27 0.86 -0.87 4.55 2.76 -1.01 -3.32 115.15 118.39 2ron h HIS 135 Ca 0.08 -0.62 0.18 0.00 -2.20 0.00 0.00 60.37 57.80 2ron h HIS 135 Cb 0.05 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 28.91 2ron h HIS 135 CO -0.04 1.62 0.57 0.82 -1.30 0.00 0.00 177.93 179.60 2ron h ILE 136 N 0.13 0.74 -7.11 6.26 2.04 -1.20 -3.45 117.51 114.93 2ron h ILE 136 Ca -0.30 -0.17 -0.61 0.00 1.00 0.00 0.00 64.86 64.78 2ron h ILE 136 Cb 2.14 0.21 -0.38 0.00 -0.74 0.00 0.00 36.82 38.05 2ron h ILE 136 CO 0.23 0.09 -0.89 2.30 0.00 0.00 0.00 178.15 179.88 2ron n ILE 137 N -4.53 -0.02 -0.00 -0.67 -5.35 -0.72 -4.78 119.36 103.28 2ron n ILE 137 Ca 0.18 -0.01 -0.01 0.00 -0.27 0.00 0.00 62.75 62.64 2ron n ILE 137 Cb 0.60 -0.50 -0.00 0.00 -1.74 0.00 0.00 39.64 37.99 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 138 N -3.99 0.04 -3.63 6.28 7.27 -1.26 -4.41 117.38 117.68 2ron n GLN 138 Ca 0.11 0.02 -0.28 0.00 0.07 0.00 0.00 57.00 56.91 2ron n GLN 138 Cb 0.45 -0.39 0.04 0.00 2.41 0.00 0.00 30.24 32.75 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ron n LEU 139 N -2.72 -3.28 0.00 1.69 7.99 -1.26 -2.42 117.00 117.00 2ron n LEU 139 Ca -0.01 -0.95 0.00 0.00 -0.01 0.00 0.00 56.01 55.04 2ron n LEU 139 Cb 0.04 -2.54 0.00 0.00 -0.11 0.00 0.00 43.42 40.82 2ron n LEU 139 CO 0.02 0.41 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 2ron n GLY 140 N -1.62 2.54 0.00 -0.72 0.00 -1.26 -4.88 105.19 99.26 2ron n GLY 140 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2ron n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 141 N -0.37 2.82 2.97 -0.02 0.00 -1.01 -5.10 105.19 104.48 2ron n GLY 141 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 2ron n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ron s MET 142 N -0.68 0.69 -0.25 1.61 0.00 -1.23 -5.00 119.30 114.43 2ron s MET 142 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 55.69 54.92 2ron s MET 142 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 34.83 34.49 2ron s MET 142 CO 0.00 -1.17 1.63 -1.25 0.00 0.00 0.00 175.02 174.23 2ron s PRO 143 N 1.75 3.70 -0.29 4.11 0.04 -1.26 -4.59 135.00 138.46 2ron s PRO 143 Ca 0.16 1.57 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 2ron s PRO 143 Cb -0.10 -4.06 0.14 0.00 0.04 0.00 0.00 34.50 30.51 2ron s PRO 143 CO -0.08 -1.41 1.07 0.00 0.04 0.00 0.00 177.00 176.62 2ron s ALA 144 N 5.51 -2.12 0.00 8.56 0.00 -1.26 -5.03 121.76 127.42 2ron s ALA 144 Ca 0.72 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.64 2ron s ALA 144 Cb -0.24 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2ron s ALA 144 CO 0.30 -0.26 0.00 0.39 0.00 0.00 0.00 175.76 176.20 2ron n GLU 145 N 2.63 0.00 -0.07 0.00 1.02 -1.26 -4.87 120.64 118.09 2ron n GLU 145 Ca -0.14 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.03 2ron n GLU 145 Cb 0.57 -0.59 0.05 0.00 -0.02 0.00 0.00 31.44 31.44 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2ron n LEU 146 N -1.96 1.69 -0.00 -4.62 -0.00 -1.26 -4.63 117.00 106.21 2ron n LEU 146 Ca 0.00 -2.05 0.08 0.00 -0.00 0.00 0.00 56.01 54.04 2ron n LEU 146 Cb 0.17 -0.15 -0.11 0.00 -0.00 0.00 0.00 43.42 43.33 2ron n LEU 146 CO 0.00 0.49 -0.27 1.33 -0.00 0.00 0.00 177.39 178.94 2ron n VAL 147 N -0.72 0.00 -0.20 1.47 0.24 -1.26 -4.42 118.33 113.44 2ron n VAL 147 Ca 0.06 -0.20 0.29 0.00 -2.04 0.00 0.00 64.34 62.45 2ron n VAL 147 Cb 0.46 0.69 0.72 0.00 -1.47 0.00 0.00 33.84 34.24 2ron n VAL 147 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2ron h GLU 148 N 0.00 0.01 0.56 7.34 4.11 -1.91 -1.25 114.58 123.45 2ron h GLU 148 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2ron h GLU 148 Cb 0.55 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ron h GLU 148 CO 0.00 0.01 -0.27 -0.97 0.07 0.00 0.00 179.01 177.85 2ron h ASN 149 N 0.01 -0.63 0.19 3.06 -1.24 -1.94 0.98 115.58 116.01 2ron h ASN 149 Ca 0.44 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.41 2ron h ASN 149 Cb 1.76 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.97 2ron h ASN 149 CO -0.01 -0.29 0.00 0.07 -1.29 0.00 0.00 177.43 175.91 2ron h LYS 150 N -1.01 0.00 0.00 6.67 2.10 -1.56 -2.48 116.57 120.28 2ron h LYS 150 Ca -0.08 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.46 2ron h LYS 150 Cb 0.64 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2ron h LYS 150 CO 0.13 0.00 -0.63 0.93 -2.00 0.00 0.00 179.45 177.87 2ron h GLU 151 N 0.00 0.00 -0.00 0.07 5.08 -1.00 -1.27 114.58 117.46 2ron h GLU 151 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ron h GLU 151 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2ron h GLU 151 CO 0.00 0.98 0.01 -0.24 -1.00 0.00 0.00 179.01 178.76 2ron h VAL 152 N -1.00 0.15 0.03 3.13 3.04 -0.46 0.55 116.25 121.68 2ron h VAL 152 Ca -0.17 0.00 -0.38 0.00 -1.01 0.00 0.00 66.70 65.13 2ron h VAL 152 Cb 1.13 0.99 -0.05 0.00 -2.01 0.00 0.00 31.29 31.35 2ron h VAL 152 CO -0.11 0.00 -2.22 0.23 -1.01 0.00 0.00 177.57 174.46 2ron n MET 153 N -3.29 0.64 -0.00 4.17 2.81 -0.97 -4.12 117.12 116.37 2ron n MET 153 Ca -0.03 0.27 -0.00 0.00 -1.81 0.00 0.00 57.70 56.13 2ron n MET 153 Cb 0.09 -1.58 -0.00 0.00 -0.71 0.00 0.00 33.22 31.01 2ron n MET 153 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2ron n SER 154 N -3.76 0.06 -0.31 7.83 7.64 -0.48 -4.35 113.62 120.26 2ron n SER 154 Ca -0.44 0.25 0.32 0.00 1.01 0.00 0.00 58.87 60.01 2ron n SER 154 Cb 0.93 -0.51 0.69 0.00 -1.01 0.00 0.00 64.21 64.31 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 155 N -0.03 0.16 -4.89 1.43 0.04 -0.27 -3.43 116.94 109.95 2ron h PHE 155 Ca 0.00 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 2ron h PHE 155 Cb 0.02 -0.04 0.11 0.00 2.20 0.00 0.00 35.95 38.24 2ron h PHE 155 CO -0.01 0.01 -0.49 0.34 -0.60 0.00 0.00 178.31 177.56 2ron n PHE 156 N -4.30 -2.03 -0.96 -0.55 -0.00 0.15 -4.15 117.46 105.62 2ron n PHE 156 Ca 0.25 0.73 -0.34 0.00 -0.00 0.00 0.00 57.45 58.08 2ron n PHE 156 Cb 1.13 -3.70 0.10 0.00 -0.00 0.00 0.00 39.48 37.00 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2ron n LEU 157 N -2.51 -0.55 -1.37 -2.13 -0.00 -1.25 -4.61 117.00 104.57 2ron n LEU 157 Ca -0.04 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 2ron n LEU 157 Cb 0.57 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 2ron n LEU 157 CO 0.45 -3.74 0.36 -0.81 -0.00 0.00 0.00 177.39 173.65 2ron n PRO 158 N -0.94 0.49 -3.84 1.47 -0.04 -1.26 -4.48 135.00 126.40 2ron n PRO 158 Ca 0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 2ron n PRO 158 Cb 0.53 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.59 2ron n PRO 158 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ron s SER 159 N 1.49 4.02 0.03 3.54 0.01 -1.26 -4.98 113.70 116.55 2ron s SER 159 Ca 0.00 -2.78 -0.24 0.00 1.31 0.00 0.00 55.95 54.25 2ron s SER 159 Cb 0.00 -1.35 -0.13 0.00 0.21 0.00 0.00 66.02 64.75 2ron s SER 159 CO 0.00 -0.26 1.22 -0.26 0.41 0.00 0.00 173.24 174.36 2ron h PHE 160 N 6.68 -0.79 -0.80 2.43 -1.00 -1.97 -1.44 116.94 120.05 2ron h PHE 160 Ca -0.05 -0.02 0.23 0.00 2.81 0.00 0.00 57.97 60.95 2ron h PHE 160 Cb 0.91 0.26 -0.15 0.00 3.61 0.00 0.00 35.95 40.58 2ron h PHE 160 CO 0.50 -0.49 0.06 2.89 -1.61 0.00 0.00 178.31 179.66 2ron n ARG 161 N -4.53 -0.06 0.06 1.51 1.85 -1.26 0.98 116.66 115.21 2ron n ARG 161 Ca -0.11 1.20 -0.02 0.00 -1.00 0.00 0.00 57.85 57.92 2ron n ARG 161 Cb 0.33 -1.92 -0.01 0.00 -1.05 0.00 0.00 32.46 29.81 2ron n ARG 161 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2ron h SER 162 N 0.00 -0.13 -0.18 2.89 0.87 -1.95 -2.02 113.55 113.03 2ron h SER 162 Ca 0.51 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 61.11 2ron h SER 162 Cb 1.09 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.01 2ron h SER 162 CO -0.74 -0.05 -0.51 -0.78 -0.53 0.00 0.00 176.83 174.22 2ron h ASP 163 N -0.24 -1.63 -0.16 6.23 1.82 -0.06 0.48 116.42 122.86 2ron h ASP 163 Ca -0.02 0.20 0.02 0.00 -0.39 0.00 0.00 57.03 56.85 2ron h ASP 163 Cb 0.12 0.65 -0.04 0.00 0.68 0.00 0.00 39.33 40.73 2ron h ASP 163 CO 0.03 -0.46 -0.34 1.88 -1.61 0.00 0.00 179.24 178.74 2ron h TYR 164 N -0.53 -1.02 -0.01 0.28 -1.99 0.48 0.43 116.97 114.62 2ron h TYR 164 Ca 0.06 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.83 2ron h TYR 164 Cb 0.66 0.46 -0.00 0.00 2.00 0.00 0.00 36.73 39.85 2ron h TYR 164 CO -0.58 -0.32 0.11 -0.09 -0.00 0.00 0.00 178.16 177.29 2ron h ARG 165 N -0.30 0.00 0.00 4.88 2.43 -1.06 0.76 114.38 121.08 2ron h ARG 165 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2ron h ARG 165 Cb 0.39 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2ron h ARG 165 CO -0.31 0.00 -0.49 0.00 -1.51 0.00 0.00 179.97 177.66 2ron h ALA 166 N 1.78 0.76 -0.01 2.80 0.00 0.40 0.22 119.26 125.21 2ron h ALA 166 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ron h ALA 166 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ron h ALA 166 CO -0.00 0.06 -0.04 -0.11 0.00 0.00 0.00 179.25 179.16 2ron n LEU 167 N -2.92 1.44 0.00 0.00 7.94 0.97 -4.71 117.00 119.72 2ron n LEU 167 Ca 0.02 -0.94 0.00 0.00 -1.11 0.00 0.00 56.01 53.98 2ron n LEU 167 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2ron n LEU 167 CO 0.37 0.29 -0.22 -0.62 -1.11 0.00 0.00 177.39 176.10 2ron n GLU 168 N 0.21 0.36 -2.30 1.96 1.02 0.23 -5.03 120.64 117.10 2ron n GLU 168 Ca 0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.99 2ron n GLU 168 Cb 0.17 -0.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.85 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ron n GLN 169 N -1.79 -1.74 0.00 3.49 6.02 0.79 -4.77 117.38 119.38 2ron n GLN 169 Ca 0.00 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.95 2ron n GLN 169 Cb 0.22 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 25.91 2ron n GLN 169 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ron n PHE 170 N -3.68 0.00 -0.72 1.08 7.35 -1.26 -5.07 117.46 115.16 2ron n PHE 170 Ca -0.22 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.14 2ron n PHE 170 Cb 0.67 0.00 0.15 0.00 0.35 0.00 0.00 39.48 40.65 2ron n PHE 170 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2ron n GLU 171 N -1.98 -1.15 -4.22 -4.13 -0.58 -1.26 -5.04 120.64 102.27 2ron n GLU 171 Ca 0.00 -0.31 -0.14 0.00 -0.42 0.00 0.00 57.16 56.29 2ron n GLU 171 Cb 0.27 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 2ron n GLU 171 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ron s LEU 172 N -1.00 1.29 0.64 -4.62 1.02 -1.26 -4.88 118.68 109.87 2ron s LEU 172 Ca 0.56 -1.47 0.37 0.00 0.02 0.00 0.00 54.13 53.61 2ron s LEU 172 Cb -0.15 0.40 2.09 0.00 0.02 0.00 0.00 46.19 48.55 2ron s LEU 172 CO 0.67 -0.88 2.26 1.88 0.02 0.00 0.00 176.35 180.30 2ron h TYR 173 N 2.51 0.00 -2.89 0.29 0.05 -1.96 -3.36 116.97 111.60 2ron h TYR 173 Ca -0.34 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 57.77 2ron h TYR 173 Cb 1.25 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.81 2ron h TYR 173 CO 0.64 0.00 0.24 -0.51 -1.05 0.00 0.00 178.16 177.48 2ron s ASP 174 N -5.45 6.19 -0.07 3.88 1.01 -1.26 -4.80 116.67 116.16 2ron s ASP 174 Ca -0.05 -1.20 0.11 0.00 0.71 0.00 0.00 52.55 52.11 2ron s ASP 174 Cb 0.13 -2.34 0.16 0.00 1.01 0.00 0.00 42.92 41.89 2ron s ASP 174 CO 0.45 -1.18 1.06 0.00 0.21 0.00 0.00 175.17 175.72 2ron n LEU 175 N 6.72 1.44 -4.88 1.23 -0.00 -1.26 -5.07 117.00 115.19 2ron n LEU 175 Ca -0.07 -2.19 -0.30 0.00 -0.00 0.00 0.00 56.01 53.46 2ron n LEU 175 Cb 0.44 -0.24 0.07 0.00 -0.00 0.00 0.00 43.42 43.69 2ron n LEU 175 CO 0.60 0.51 0.76 0.00 -0.00 0.00 0.00 177.39 179.26 2ron s ALA 176 N -1.67 2.68 -0.86 1.47 0.00 -1.26 -4.45 121.76 117.69 2ron s ALA 176 Ca 0.18 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 2ron s ALA 176 Cb 0.16 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 2ron s ALA 176 CO 0.02 -1.45 0.74 1.04 0.00 0.00 0.00 175.76 176.11 2ron n GLN 177 N -3.20 -2.36 -3.74 0.00 6.02 -1.18 -4.99 117.38 107.93 2ron n GLN 177 Ca 0.07 0.69 -0.16 0.00 -0.01 0.00 0.00 57.00 57.59 2ron n GLN 177 Cb 0.59 -5.00 -0.16 0.00 1.02 0.00 0.00 30.24 26.68 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.31 -0.08 -0.30 5.09 1.01 -1.26 -5.07 121.20 117.28 2ron s ILE 178 Ca 0.31 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 2ron s ILE 178 Cb -0.04 -0.13 0.16 0.00 0.01 0.00 0.00 42.46 42.46 2ron s ILE 178 CO 0.59 0.11 0.88 -1.58 0.00 0.00 0.00 174.94 174.94 2ron s GLN 179 N 1.40 0.37 0.00 2.79 0.74 -1.26 -3.00 119.66 120.70 2ron s GLN 179 Ca -0.05 0.88 0.00 0.00 0.05 0.00 0.00 55.36 56.24 2ron s GLN 179 Cb -0.13 0.53 0.00 0.00 1.10 0.00 0.00 33.01 34.51 2ron s GLN 179 CO -0.03 -0.18 0.00 0.43 -0.55 0.00 0.00 175.29 174.95 2ron n SER 180 N 5.18 -0.00 -2.88 6.67 7.64 -1.26 -4.81 113.62 124.15 2ron n SER 180 Ca -0.09 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2ron n SER 180 Cb 0.52 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ron n PRO 181 N -2.76 -0.26 -4.85 1.43 -0.04 -1.26 -4.03 135.00 123.23 2ron n PRO 181 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2ron n PRO 181 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2ron n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ron s VAL 182 N -0.63 1.87 0.02 0.52 1.01 -1.23 -2.38 120.40 119.58 2ron s VAL 182 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2ron s VAL 182 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2ron s VAL 182 CO 0.00 0.52 -0.06 -1.00 0.00 0.00 0.00 175.10 174.56 2ron s HIS 183 N 0.63 0.50 -0.09 5.22 3.76 -0.92 -2.32 115.29 122.07 2ron s HIS 183 Ca -0.13 -0.35 -0.08 0.00 -0.15 0.00 0.00 55.06 54.36 2ron s HIS 183 Cb -0.16 -0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.24 2ron s HIS 183 CO 0.03 -0.07 0.23 0.08 -0.85 0.00 0.00 174.74 174.16 2ron s VAL 184 N -0.93 -0.00 0.01 -0.90 1.01 -1.17 -3.64 120.40 114.78 2ron s VAL 184 Ca -0.07 0.01 0.07 0.00 0.00 0.00 0.00 61.98 61.99 2ron s VAL 184 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2ron s VAL 184 CO -0.00 0.00 -0.21 -0.36 0.00 0.00 0.00 175.10 174.53 2ron s PHE 185 N 0.19 2.49 -0.10 5.22 0.08 -0.16 -2.69 117.98 123.00 2ron s PHE 185 Ca -0.01 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 2ron s PHE 185 Cb -0.02 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 2ron s PHE 185 CO -0.00 0.14 0.33 1.21 -0.10 0.00 0.00 175.22 176.80 2ron s ASN 186 N -1.05 -0.31 0.00 1.36 2.47 -0.99 -2.27 114.94 114.15 2ron s ASN 186 Ca 0.12 0.55 0.00 0.00 0.42 0.00 0.00 52.86 53.95 2ron s ASN 186 Cb -0.10 0.60 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 2ron s ASN 186 CO 0.02 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.83 2ron n GLY 187 N 2.56 0.12 4.51 1.21 0.00 -0.90 -3.91 105.19 108.77 2ron n GLY 187 Ca -0.15 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2ron n GLY 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ron n LEU 188 N 0.00 -0.89 0.33 0.99 -0.00 -1.21 -3.42 117.00 112.80 2ron n LEU 188 Ca 0.00 -1.24 0.21 0.00 -0.00 0.00 0.00 56.01 54.98 2ron n LEU 188 Cb 0.00 -1.63 1.14 0.00 -0.00 0.00 0.00 43.42 42.93 2ron n LEU 188 CO 0.00 0.15 1.17 0.44 -0.00 0.00 0.00 177.39 179.15 2ron h ASP 189 N -0.99 0.00 0.00 1.45 3.32 -1.89 -3.17 116.42 115.14 2ron h ASP 189 Ca -0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2ron h ASP 189 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2ron h ASP 189 CO 0.88 0.00 -0.01 -2.24 -1.72 0.00 0.00 179.24 176.15 2ron h ASP 190 N 0.00 0.00 -3.03 6.45 3.04 -1.90 0.50 116.42 121.48 2ron h ASP 190 Ca 0.00 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.19 2ron h ASP 190 Cb 0.10 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.35 2ron h ASP 190 CO -0.00 0.01 -0.30 -0.75 -2.04 0.00 0.00 179.24 176.16 2ron s LYS 191 N -1.02 3.69 0.00 4.15 2.20 -1.20 -3.26 119.74 124.31 2ron s LYS 191 Ca -0.00 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 2ron s LYS 191 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 2ron s LYS 191 CO 0.00 0.59 0.00 1.17 -0.36 0.00 0.00 175.35 176.76 2ron n LYS 192 N 0.98 0.00 0.25 4.03 4.81 -1.26 -4.70 118.16 122.27 2ron n LYS 192 Ca -0.09 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.42 2ron n LYS 192 Cb 0.52 -0.83 0.59 0.00 0.02 0.00 0.00 35.03 35.34 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ron h ILE 194 N 0.00 1.04 0.14 0.00 -0.00 -1.98 0.25 117.51 116.96 2ron h ILE 194 Ca -0.00 -0.71 -0.01 0.00 -0.00 0.00 0.00 64.86 64.14 2ron h ILE 194 Cb 0.17 1.40 0.00 0.00 -0.00 0.00 0.00 36.82 38.38 2ron h ILE 194 CO 0.01 0.20 -0.07 -0.09 -0.00 0.00 0.00 178.15 178.20 2ron h ARG 195 N 0.00 -0.19 0.00 2.19 9.65 -1.56 -1.74 114.38 122.73 2ron h ARG 195 Ca -0.00 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2ron h ARG 195 Cb 0.38 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2ron h ARG 195 CO 0.03 0.21 -0.06 0.22 2.80 0.00 0.00 179.97 183.17 2ron h ASP 196 N -0.94 0.00 0.03 -3.80 3.58 -1.47 0.39 116.42 114.21 2ron h ASP 196 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2ron h ASP 196 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2ron h ASP 196 CO 0.03 0.06 -0.01 0.00 -2.88 0.00 0.00 179.24 176.44 2ron h ALA 197 N 1.94 -0.06 0.00 -0.78 0.00 -0.98 -2.01 119.26 117.37 2ron h ALA 197 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ron h ALA 197 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ron h ALA 197 CO 0.01 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.59 2ron n GLU 198 N -3.66 0.10 -0.08 0.00 -0.58 -0.65 -1.61 120.64 114.15 2ron n GLU 198 Ca -0.00 0.16 -0.23 0.00 -0.42 0.00 0.00 57.16 56.67 2ron n GLU 198 Cb 0.02 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.27 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ron n GLY 199 N 0.31 -0.59 0.07 0.62 0.00 0.14 -4.30 105.19 101.43 2ron n GLY 199 Ca 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2ron n GLY 199 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2ron n TRP 200 N -3.90 0.59 -0.04 1.61 -0.00 -0.75 -3.63 117.44 111.33 2ron n TRP 200 Ca -0.39 0.17 0.17 0.00 -0.00 0.00 0.00 57.50 57.45 2ron n TRP 200 Cb 0.89 -0.75 0.62 0.00 -0.00 0.00 0.00 31.31 32.06 2ron n TRP 200 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2ron h LYS 201 N 0.00 0.16 0.00 5.87 5.09 -1.49 0.27 116.57 126.47 2ron h LYS 201 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.73 2ron h LYS 201 Cb 0.66 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.96 2ron h LYS 201 CO 0.00 0.10 -0.69 0.36 -2.09 0.00 0.00 179.45 177.13 2ron n LYS 202 N -4.42 0.16 -1.86 0.07 2.85 -1.24 -4.91 118.16 108.81 2ron n LYS 202 Ca 0.10 0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 2ron n LYS 202 Cb 0.52 -1.58 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -1.81 -0.75 -3.54 5.58 7.02 0.94 -3.09 117.44 121.80 2ron n TRP 203 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.15 2ron n TRP 203 Cb 0.39 -2.88 -0.08 0.00 -2.42 0.00 0.00 31.31 26.32 2ron n TRP 203 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2ron s ALA 204 N -2.45 3.59 -0.43 6.99 0.00 -1.26 -4.63 121.76 123.58 2ron s ALA 204 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2ron s ALA 204 Cb 0.00 -2.43 0.12 0.00 0.00 0.00 0.00 23.12 20.81 2ron s ALA 204 CO 0.00 -0.14 0.19 0.15 0.00 0.00 0.00 175.76 175.96 2ron s LYS 205 N 0.96 1.43 1.02 0.00 3.01 -1.16 -4.96 119.74 120.05 2ron s LYS 205 Ca 0.14 -2.02 -0.16 0.00 -1.01 0.00 0.00 55.97 52.92 2ron s LYS 205 Cb -0.14 -2.72 0.06 0.00 -1.01 0.00 0.00 37.83 34.02 2ron s LYS 205 CO 0.05 -1.08 0.17 -0.25 0.51 0.00 0.00 175.35 174.75 2ron n ASP 206 N 3.74 -2.34 0.12 2.83 9.92 -1.26 -4.67 116.55 124.88 2ron n ASP 206 Ca 0.05 0.13 0.20 0.00 -0.53 0.00 0.00 54.79 54.64 2ron n ASP 206 Cb 0.36 -1.08 0.74 0.00 -0.64 0.00 0.00 41.12 40.50 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2ron h ILE 207 N -1.75 0.31 -2.26 0.53 6.09 -1.61 -3.31 117.51 115.51 2ron h ILE 207 Ca -0.48 0.00 -0.42 0.00 -1.37 0.00 0.00 64.86 62.60 2ron h ILE 207 Cb 1.32 0.63 -0.35 0.00 0.47 0.00 0.00 36.82 38.89 2ron h ILE 207 CO 0.35 0.00 -0.71 -0.89 -3.07 0.00 0.00 178.15 173.83 2ron s THR 208 N -4.53 -0.24 -0.07 2.19 2.01 -1.25 -5.06 115.64 108.69 2ron s THR 208 Ca -0.04 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.11 2ron s THR 208 Cb 0.14 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 2ron s THR 208 CO 0.50 -0.64 -0.20 0.72 -0.69 0.00 0.00 174.62 174.31 2ron s PHE 209 N 1.81 2.57 -0.20 4.92 -0.71 -1.25 -2.17 117.98 122.96 2ron s PHE 209 Ca 0.13 -0.59 -0.10 0.00 -1.04 0.00 0.00 56.93 55.33 2ron s PHE 209 Cb -0.16 -1.66 0.07 0.00 -1.21 0.00 0.00 43.02 40.06 2ron s PHE 209 CO -0.19 -0.13 0.46 -1.58 -1.34 0.00 0.00 175.22 172.44 2ron s HIS 210 N -0.18 -0.74 0.07 3.49 2.46 -1.24 -5.04 115.29 114.11 2ron s HIS 210 Ca -0.02 1.50 0.09 0.00 0.47 0.00 0.00 55.06 57.09 2ron s HIS 210 Cb -0.14 0.34 -0.03 0.00 -0.13 0.00 0.00 32.58 32.62 2ron s HIS 210 CO 0.04 -0.41 -0.23 1.14 -2.47 0.00 0.00 174.74 172.80 2ron s GLN 211 N 1.80 1.79 -0.24 2.88 1.03 -1.26 -0.99 119.66 124.66 2ron s GLN 211 Ca -0.07 -1.14 -0.03 0.00 0.04 0.00 0.00 55.36 54.16 2ron s GLN 211 Cb -0.09 -2.04 0.08 0.00 0.03 0.00 0.00 33.01 30.99 2ron s GLN 211 CO -0.14 0.50 0.08 0.12 -2.54 0.00 0.00 175.29 173.31 2ron s PHE 212 N -0.94 0.91 -0.13 9.60 5.36 -0.96 -5.00 117.98 126.82 2ron s PHE 212 Ca 0.14 -1.00 -0.04 0.00 -0.96 0.00 0.00 56.93 55.07 2ron s PHE 212 Cb -0.10 -1.11 -0.03 0.00 -0.34 0.00 0.00 43.02 41.43 2ron s PHE 212 CO 0.05 -0.71 0.01 0.16 -1.46 0.00 0.00 175.22 173.27 2ron s ASP 213 N 1.90 5.29 0.00 6.13 1.47 -1.26 -2.13 116.67 128.07 2ron s ASP 213 Ca 0.04 0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.85 2ron s ASP 213 Cb -0.17 -1.71 0.00 0.00 -0.34 0.00 0.00 42.92 40.71 2ron s ASP 213 CO -0.19 0.28 0.29 0.61 0.68 0.00 0.00 175.17 176.84 2ron n GLY 214 N 2.83 -0.85 0.00 2.12 0.00 -1.22 -4.77 105.19 103.30 2ron n GLY 214 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 1.13 0.75 0.00 -0.02 0.00 0.93 -4.88 105.19 103.10 2ron n GLY 215 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2ron n GLY 215 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2ron n HIS 216 N 0.00 0.00 -0.80 1.61 1.44 0.14 -4.19 115.22 113.42 2ron n HIS 216 Ca 0.00 -0.14 -0.34 0.00 -2.01 0.00 0.00 57.72 55.23 2ron n HIS 216 Cb 0.00 -0.01 0.12 0.00 0.12 0.00 0.00 29.99 30.21 2ron n HIS 216 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 2ron n MET 217 N -0.14 -0.71 -0.26 -1.40 0.00 -1.20 -4.08 117.12 109.32 2ron n MET 217 Ca 0.00 -0.19 0.31 0.00 0.00 0.00 0.00 57.70 57.83 2ron n MET 217 Cb 0.36 -1.58 0.72 0.00 0.00 0.00 0.00 33.22 32.71 2ron n MET 217 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2ron h PHE 218 N -1.61 0.06 0.00 1.12 -0.00 -1.93 0.25 116.94 114.82 2ron h PHE 218 Ca -0.47 0.00 -0.31 0.00 -0.00 0.00 0.00 57.97 57.19 2ron h PHE 218 Cb 1.33 -0.02 -0.05 0.00 -0.00 0.00 0.00 35.95 37.21 2ron h PHE 218 CO 0.23 0.01 -2.10 -0.11 -0.00 0.00 0.00 178.31 176.34 2ron n LEU 219 N -4.25 2.27 0.19 2.10 0.00 -1.26 -3.99 117.00 112.05 2ron n LEU 219 Ca 0.22 0.06 0.18 0.00 0.00 0.00 0.00 56.01 56.47 2ron n LEU 219 Cb 1.09 -0.63 0.81 0.00 0.00 0.00 0.00 43.42 44.70 2ron n LEU 219 CO 0.39 0.64 1.15 -0.07 0.00 0.00 0.00 177.39 179.50 2ron h LEU 220 N -0.33 0.00 0.12 -1.96 3.38 -1.77 -0.59 115.31 114.16 2ron h LEU 220 Ca -0.46 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.18 2ron h LEU 220 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2ron h LEU 220 CO -0.18 0.00 -1.67 -1.28 0.09 0.00 0.00 178.44 175.40 2ron h SER 221 N 0.00 0.41 -0.36 -0.43 0.87 -0.65 -3.36 113.55 110.03 2ron h SER 221 Ca 0.11 -0.65 0.04 0.00 -1.23 0.00 0.00 61.79 60.06 2ron h SER 221 Cb 0.61 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 2ron h SER 221 CO -0.00 1.55 0.14 -0.61 -0.53 0.00 0.00 176.83 177.38 2ron h GLN 222 N 0.07 0.30 -4.69 2.24 5.75 -1.25 -3.33 115.11 114.19 2ron h GLN 222 Ca -0.30 -0.02 -0.71 0.00 -0.15 0.00 0.00 58.65 57.47 2ron h GLN 222 Cb 2.04 -0.07 -0.20 0.00 1.07 0.00 0.00 27.48 30.32 2ron h GLN 222 CO 0.15 0.20 0.48 0.95 -2.65 0.00 0.00 178.83 177.95 2ron s THR 223 N -6.16 4.93 0.45 2.39 -4.23 -0.94 -4.86 115.64 107.23 2ron s THR 223 Ca -0.13 -1.58 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 2ron s THR 223 Cb 0.12 -4.63 0.29 0.00 1.34 0.00 0.00 72.50 69.62 2ron s THR 223 CO 0.71 -1.30 2.10 -0.33 -0.54 0.00 0.00 174.62 175.26 2ron h GLU 224 N 8.71 0.00 0.55 3.99 4.39 -1.81 -3.08 114.58 127.33 2ron h GLU 224 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2ron h GLU 224 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2ron h GLU 224 CO 1.03 0.10 -0.44 0.93 -1.16 0.00 0.00 179.01 179.47 2ron h GLU 225 N 0.00 -0.92 -0.81 2.33 5.08 -1.93 -1.79 114.58 116.54 2ron h GLU 225 Ca -0.00 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.53 2ron h GLU 225 Cb 0.26 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 2ron h GLU 225 CO 0.01 -0.61 0.45 0.28 -1.00 0.00 0.00 179.01 178.14 2ron h VAL 226 N -0.96 0.86 0.02 3.13 2.07 -1.90 -0.58 116.25 118.90 2ron h VAL 226 Ca -0.07 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2ron h VAL 226 Cb 0.80 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2ron h VAL 226 CO 0.01 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 177.67 2ron h ALA 227 N 1.47 -0.66 -0.30 1.67 0.00 -1.43 0.51 119.26 120.53 2ron h ALA 227 Ca 0.40 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.39 2ron h ALA 227 Cb 0.43 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2ron h ALA 227 CO -0.28 -0.67 0.29 1.49 0.00 0.00 0.00 179.25 180.09 2ron h GLU 228 N -0.09 0.00 0.08 0.00 4.81 -1.20 -1.54 114.58 116.64 2ron h GLU 228 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ron h GLU 228 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2ron h GLU 228 CO -0.03 0.00 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.13 2ron h ARG 229 N 0.00 -0.10 -0.10 1.92 2.43 -0.13 -0.88 114.38 117.52 2ron h ARG 229 Ca 0.14 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2ron h ARG 229 Cb 0.72 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2ron h ARG 229 CO -0.00 0.20 0.04 0.82 -1.51 0.00 0.00 179.97 179.51 2ron h ILE 230 N -0.40 1.16 -0.45 1.20 1.08 0.04 -1.71 117.51 118.43 2ron h ILE 230 Ca -0.01 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.04 2ron h ILE 230 Cb 0.34 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 2ron h ILE 230 CO 0.02 0.14 0.18 0.15 -0.69 0.00 0.00 178.15 177.95 2ron h PHE 231 N -0.01 0.33 0.56 1.37 3.04 -1.42 0.21 116.94 121.02 2ron h PHE 231 Ca 0.03 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 2ron h PHE 231 Cb 0.19 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2ron h PHE 231 CO -0.01 0.14 -0.28 0.00 -2.02 0.00 0.00 178.31 176.13 2ron h ALA 232 N 1.27 -1.19 -0.63 2.41 0.00 -1.05 0.58 119.26 120.66 2ron h ALA 232 Ca 0.20 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.13 2ron h ALA 232 Cb 0.17 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2ron h ALA 232 CO -0.19 -1.14 0.45 0.97 0.00 0.00 0.00 179.25 179.35 2ron h ILE 233 N -0.77 0.69 0.00 0.00 6.09 -1.25 0.31 117.51 122.59 2ron h ILE 233 Ca -0.08 -0.01 -0.15 0.00 -1.37 0.00 0.00 64.86 63.26 2ron h ILE 233 Cb 0.60 0.67 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 2ron h ILE 233 CO 0.11 0.00 -0.70 0.25 -3.07 0.00 0.00 178.15 174.75 2ron h LEU 234 N 0.03 0.00 0.00 2.19 7.12 -0.26 0.43 115.31 124.81 2ron h LEU 234 Ca 0.30 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.31 2ron h LEU 234 Cb 1.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2ron h LEU 234 CO -0.01 0.70 -0.59 -1.13 -0.13 0.00 0.00 178.44 177.27 2ron h ASN 235 N 0.00 0.00 -0.07 1.25 -1.24 0.19 -3.31 115.58 112.40 2ron h ASN 235 Ca -0.01 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.84 2ron h ASN 235 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 2ron h ASN 235 CO 0.09 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.31 2ron n GLN 236 N -2.22 0.94 0.06 6.67 6.02 0.11 -4.68 117.38 124.28 2ron n GLN 236 Ca 0.03 -1.19 -0.14 0.00 -0.01 0.00 0.00 57.00 55.69 2ron n GLN 236 Cb 0.45 -1.12 -0.08 0.00 1.02 0.00 0.00 30.24 30.52 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2ron h HIS 237 N 1.11 -1.30 -0.02 1.08 -0.00 -0.23 -3.08 115.15 112.71 2ron h HIS 237 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2ron h HIS 237 Cb 0.38 0.57 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2ron h HIS 237 CO 0.04 -0.52 -0.02 -1.00 -0.00 0.00 0.00 177.93 176.44 2ron h PRO 238 N -0.60 0.04 -7.08 5.26 0.13 -1.85 -3.45 132.00 124.46 2ron h PRO 238 Ca 0.04 -0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.61 2ron h PRO 238 Cb 0.68 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.93 2ron h PRO 238 CO -0.33 0.51 0.53 -1.50 -0.23 0.00 0.00 178.00 176.98 2ron s ILE 239 N -4.26 2.33 0.95 -3.56 1.10 -1.17 -5.01 121.20 111.58 2ron s ILE 239 Ca -0.16 0.23 -0.14 0.00 -0.51 0.00 0.00 60.65 60.07 2ron s ILE 239 Cb 0.02 -3.10 0.16 0.00 0.15 0.00 0.00 42.46 39.69 2ron s ILE 239 CO 0.68 -0.03 1.17 0.27 -2.11 0.00 0.00 174.94 174.92 2ron s ILE 240 N -1.44 1.95 -0.36 2.00 -4.36 -1.26 -4.86 121.20 112.87 2ron s ILE 240 Ca 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 61.15 2ron s ILE 240 Cb -0.35 -2.78 0.18 0.00 1.25 0.00 0.00 42.46 40.76 2ron s ILE 240 CO 0.40 0.00 0.80 -1.58 0.24 0.00 0.00 174.94 174.80 2ron s GLN 241 N -5.41 0.52 0.00 0.37 2.00 -1.26 -5.06 119.66 110.82 2ron s GLN 241 Ca 0.66 -0.09 0.16 0.00 -2.00 0.00 0.00 55.36 54.08 2ron s GLN 241 Cb -0.12 0.08 0.93 0.00 0.80 0.00 0.00 33.01 34.70 2ron s GLN 241 CO 0.53 -0.78 1.34 -0.35 -0.50 0.00 0.00 175.29 175.53