#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 2.26 -4.89 6.12 2.88 -1.12 -3.35 113.62 115.52 2ron n SER 2 Ca 0.00 0.43 -0.22 0.00 -1.33 0.00 0.00 58.87 57.76 2ron n SER 2 Cb 0.00 -1.28 0.06 0.00 -0.75 0.00 0.00 64.21 62.23 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 6.08 2.29 -0.29 -1.46 -1.52 -1.17 -3.34 119.66 120.25 2ron s GLN 3 Ca 1.08 -0.89 -0.19 0.00 -1.95 0.00 0.00 55.36 53.41 2ron s GLN 3 Cb -0.82 -2.44 0.13 0.00 -0.22 0.00 0.00 33.01 29.66 2ron s GLN 3 CO 0.49 -0.93 0.97 -0.48 -0.25 0.00 0.00 175.29 175.08 2ron s LEU 4 N -4.87 -0.53 -0.05 2.90 2.34 -1.26 -0.04 118.68 117.17 2ron s LEU 4 Ca 0.60 0.90 -0.10 0.00 0.06 0.00 0.00 54.13 55.59 2ron s LEU 4 Cb -0.09 1.85 -0.05 0.00 -0.56 0.00 0.00 46.19 47.34 2ron s LEU 4 CO 0.40 -0.15 0.26 0.12 -1.06 0.00 0.00 176.35 175.93 2ron s PHE 5 N 1.01 3.64 0.12 3.48 5.36 -0.76 -4.88 117.98 125.95 2ron s PHE 5 Ca -0.05 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2ron s PHE 5 Cb -0.04 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 2ron s PHE 5 CO -0.13 0.68 -0.02 0.15 -1.46 0.00 0.00 175.22 174.45 2ron s LYS 6 N -1.17 0.89 -0.37 10.12 3.01 -1.26 -1.27 119.74 129.69 2ron s LYS 6 Ca 0.20 -1.39 -0.01 0.00 -1.01 0.00 0.00 55.97 53.77 2ron s LYS 6 Cb -0.14 -0.06 0.18 0.00 -1.01 0.00 0.00 37.83 36.80 2ron s LYS 6 CO 0.09 -0.11 0.84 0.45 0.51 0.00 0.00 175.35 177.13 2ron s SER 7 N -3.06 -0.93 0.36 2.83 0.15 0.09 -4.96 113.70 108.19 2ron s SER 7 Ca 0.17 -0.47 0.06 0.00 0.70 0.00 0.00 55.95 56.41 2ron s SER 7 Cb 0.06 1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 65.55 2ron s SER 7 CO -0.02 -0.10 0.50 0.72 1.20 0.00 0.00 173.24 175.54 2ron s PHE 8 N 1.91 3.09 -0.28 3.44 -0.71 -1.26 -1.87 117.98 122.29 2ron s PHE 8 Ca 0.15 -0.20 0.01 0.00 -1.04 0.00 0.00 56.93 55.86 2ron s PHE 8 Cb -0.00 -2.08 0.17 0.00 -1.21 0.00 0.00 43.02 39.90 2ron s PHE 8 CO -0.11 -0.10 0.49 -0.51 -1.34 0.00 0.00 175.22 173.64 2ron s ASP 9 N -4.20 -0.52 -1.73 1.98 1.01 -1.26 -4.89 116.67 107.05 2ron s ASP 9 Ca 0.47 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.88 2ron s ASP 9 Cb -0.10 1.56 0.00 0.00 1.01 0.00 0.00 42.92 45.40 2ron s ASP 9 CO 0.32 -0.31 0.00 0.00 0.21 0.00 0.00 175.17 175.39 2ron n ALA 10 N 5.39 -0.28 -3.84 5.23 0.00 -1.26 -3.18 120.51 122.57 2ron n ALA 10 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 2ron n ALA 10 Cb 0.51 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.75 -4.87 -0.01 0.00 3.41 -1.26 -4.93 113.62 105.21 2ron n SER 11 Ca -0.17 -1.13 -0.00 0.00 -0.26 0.00 0.00 58.87 57.30 2ron n SER 11 Cb 0.56 -2.68 -0.00 0.00 -0.26 0.00 0.00 64.21 61.83 2ron n SER 11 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2ron h GLU 12 N -2.19 -0.02 -2.88 4.33 4.57 -1.89 -3.46 114.58 113.04 2ron h GLU 12 Ca -0.68 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.28 2ron h GLU 12 Cb 1.38 0.00 -0.32 0.00 -0.16 0.00 0.00 28.75 29.65 2ron h GLU 12 CO 0.49 -0.01 -0.52 0.21 -1.18 0.00 0.00 179.01 178.00 2ron s LYS 13 N -1.27 0.16 0.12 1.92 2.20 -1.26 -4.78 119.74 116.83 2ron s LYS 13 Ca -0.00 0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 2ron s LYS 13 Cb 0.00 -0.04 -0.06 0.00 -1.51 0.00 0.00 37.83 36.22 2ron s LYS 13 CO 0.01 -0.27 0.91 0.99 -0.36 0.00 0.00 175.35 176.63 2ron s THR 14 N 2.27 4.47 -0.20 3.43 2.01 -1.22 -0.39 115.64 126.01 2ron s THR 14 Ca -0.00 1.97 -0.04 0.00 0.31 0.00 0.00 61.69 63.93 2ron s THR 14 Cb -0.12 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.19 2ron s THR 14 CO -0.09 0.37 0.14 -1.10 -0.69 0.00 0.00 174.62 173.25 2ron s GLN 15 N -0.25 0.12 -0.72 4.92 -0.21 -0.83 -1.39 119.66 121.30 2ron s GLN 15 Ca 0.44 -0.03 -0.09 0.00 0.02 0.00 0.00 55.36 55.70 2ron s GLN 15 Cb -0.23 -1.53 0.19 0.00 1.00 0.00 0.00 33.01 32.44 2ron s GLN 15 CO 0.29 -0.71 0.61 -1.17 -2.12 0.00 0.00 175.29 172.19 2ron s LEU 16 N 2.21 6.07 0.57 2.90 0.20 0.13 -1.90 118.68 128.85 2ron s LEU 16 Ca 0.04 -2.71 0.07 0.00 0.69 0.00 0.00 54.13 52.22 2ron s LEU 16 Cb -0.16 -2.05 0.06 0.00 -0.43 0.00 0.00 46.19 43.61 2ron s LEU 16 CO -0.13 -0.50 0.55 0.27 -0.29 0.00 0.00 176.35 176.25 2ron s ILE 17 N 0.15 1.73 -0.37 6.68 -4.36 -0.74 -2.02 121.20 122.26 2ron s ILE 17 Ca 0.17 -1.32 0.04 0.00 -0.26 0.00 0.00 60.65 59.27 2ron s ILE 17 Cb -0.15 -2.05 0.16 0.00 1.25 0.00 0.00 42.46 41.66 2ron s ILE 17 CO -0.06 0.00 0.41 0.00 0.24 0.00 0.00 174.94 175.53 2ron n PHE 19 N 4.28 -1.70 -2.04 0.00 3.72 -1.26 -4.79 117.46 115.67 2ron n PHE 19 Ca 0.11 0.37 -0.30 0.00 -0.05 0.00 0.00 57.45 57.58 2ron n PHE 19 Cb 0.47 -3.25 -0.05 0.00 -0.94 0.00 0.00 39.48 35.71 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 -6.54 2.57 0.16 -1.08 0.04 -1.26 -4.93 135.00 123.96 2ron s PRO 20 Ca 0.41 -0.05 -0.33 0.00 0.04 0.00 0.00 61.00 61.07 2ron s PRO 20 Cb -0.18 -4.88 -0.16 0.00 0.04 0.00 0.00 34.50 29.32 2ron s PRO 20 CO 0.90 -3.21 1.12 1.97 0.04 0.00 0.00 177.00 177.82 2ron n PHE 21 N 13.66 1.14 0.03 0.56 -1.74 -1.26 -4.89 117.46 124.96 2ron n PHE 21 Ca 0.35 0.73 -0.06 0.00 -0.56 0.00 0.00 57.45 57.90 2ron n PHE 21 Cb 0.48 -2.25 -0.04 0.00 1.52 0.00 0.00 39.48 39.20 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 3.18 -0.69 -0.69 1.98 0.00 -1.95 -3.42 119.26 117.67 2ron h ALA 22 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ron h ALA 22 Cb 1.36 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2ron h ALA 22 CO 0.69 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2ron n GLY 23 N -1.18 3.38 0.00 0.00 0.00 -1.26 -2.31 105.19 103.82 2ron n GLY 23 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.20 -0.02 0.00 -1.26 -4.56 105.19 99.55 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 0.02 0.00 1.61 -0.00 -1.84 -1.60 116.97 115.16 2ron h TYR 25 Ca 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.64 2ron h TYR 25 Cb 0.60 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.31 2ron h TYR 25 CO 0.00 0.31 -0.70 1.03 -0.00 0.00 0.00 178.16 178.81 2ron h SER 26 N 0.02 0.00 0.19 0.10 0.87 -1.71 -2.14 113.55 110.87 2ron h SER 26 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2ron h SER 26 Cb 0.53 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.52 2ron h SER 26 CO 0.04 0.36 -1.25 0.00 -0.53 0.00 0.00 176.83 175.45 2ron h ALA 27 N 1.64 0.01 0.09 6.23 0.00 -1.51 -1.24 119.26 124.48 2ron h ALA 27 Ca -0.04 -0.78 -0.27 0.00 0.00 0.00 0.00 54.91 53.81 2ron h ALA 27 Cb 1.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2ron h ALA 27 CO 0.04 0.72 -1.34 0.66 0.00 0.00 0.00 179.25 179.33 2ron h SER 28 N 0.25 0.29 1.49 0.00 4.64 -1.41 -3.30 113.55 115.51 2ron h SER 28 Ca -0.18 -0.36 -0.09 0.00 -0.47 0.00 0.00 61.79 60.68 2ron h SER 28 Cb 1.92 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 2ron h SER 28 CO 0.24 1.29 -0.44 0.15 -0.87 0.00 0.00 176.83 177.20 2ron h PHE 29 N 0.05 0.00 0.06 4.77 3.57 -1.49 -3.24 116.94 120.66 2ron h PHE 29 Ca -0.16 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.36 2ron h PHE 29 Cb 1.95 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.64 2ron h PHE 29 CO 0.05 0.44 -0.45 -0.09 -2.23 0.00 0.00 178.31 176.02 2ron h ARG 30 N 0.00 -0.62 0.00 1.11 9.65 -1.30 -1.45 114.38 121.77 2ron h ARG 30 Ca -0.00 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2ron h ARG 30 Cb 1.30 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 30.02 2ron h ARG 30 CO 0.06 -0.42 -0.12 -1.00 2.80 0.00 0.00 179.97 181.30 2ron h PRO 31 N -0.65 0.00 0.28 0.20 0.13 -1.72 -0.65 132.00 129.59 2ron h PRO 31 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2ron h PRO 31 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2ron h PRO 31 CO -0.29 0.12 -0.14 1.25 -0.23 0.00 0.00 178.00 178.71 2ron h LEU 32 N 0.00 -0.32 0.00 1.56 7.12 -1.32 -1.90 115.31 120.45 2ron h LEU 32 Ca -0.00 -0.14 -0.14 0.00 0.13 0.00 0.00 57.88 57.73 2ron h LEU 32 Cb 0.58 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.77 2ron h LEU 32 CO 0.02 -0.04 -0.75 1.12 -0.13 0.00 0.00 178.44 178.66 2ron h HIS 33 N -0.61 0.00 0.00 1.25 2.07 -1.34 -2.86 115.15 113.66 2ron h HIS 33 Ca -0.04 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.42 2ron h HIS 33 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 2ron h HIS 33 CO 0.00 0.61 -0.31 0.00 -3.07 0.00 0.00 177.93 175.17 2ron h ALA 34 N 1.39 1.39 0.00 6.11 0.00 -1.11 0.26 119.26 127.29 2ron h ALA 34 Ca -0.03 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 2ron h ALA 34 Cb 1.50 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2ron h ALA 34 CO 0.07 0.38 -1.70 0.34 0.00 0.00 0.00 179.25 178.35 2ron n PHE 35 N -4.02 0.91 -0.05 0.00 7.35 -0.72 -4.35 117.46 116.57 2ron n PHE 35 Ca -0.02 0.32 -0.15 0.00 -0.76 0.00 0.00 57.45 56.85 2ron n PHE 35 Cb 0.37 -1.14 -0.13 0.00 0.35 0.00 0.00 39.48 38.92 2ron n PHE 35 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2ron h LEU 36 N 0.00 0.06 -9.06 -2.13 5.85 -1.29 -3.49 115.31 105.25 2ron h LEU 36 Ca -0.28 -0.96 -0.49 0.00 0.84 0.00 0.00 57.88 56.99 2ron h LEU 36 Cb 1.92 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.81 2ron h LEU 36 CO 0.07 1.01 -0.50 0.00 -0.34 0.00 0.00 178.44 178.68 2ron s GLN 37 N -2.37 1.80 0.06 1.25 0.00 0.89 -5.09 119.66 116.21 2ron s GLN 37 Ca -0.18 -2.06 -0.27 0.00 -0.00 0.00 0.00 55.36 52.85 2ron s GLN 37 Cb -0.02 0.07 0.09 0.00 0.00 0.00 0.00 33.01 33.15 2ron s GLN 37 CO 0.71 -0.61 1.18 0.20 0.00 0.00 0.00 175.29 176.77 2ron s GLY 38 N -3.44 -0.13 -1.87 2.60 0.00 -1.26 -4.03 107.32 99.19 2ron s GLY 38 Ca 0.36 0.09 -0.23 0.00 0.00 0.00 0.00 44.72 44.93 2ron s GLY 38 CO 0.24 2.77 0.62 -1.84 0.00 0.00 0.00 173.10 174.89 2ron n GLU 39 N -0.70 -0.99 -2.56 2.90 0.28 -1.26 -4.90 120.64 113.41 2ron n GLU 39 Ca -0.02 0.17 -0.24 0.00 -0.16 0.00 0.00 57.16 56.91 2ron n GLU 39 Cb 0.60 -4.76 0.11 0.00 1.43 0.00 0.00 31.44 28.81 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ron s GLU 41 N -5.15 4.03 0.16 0.00 2.12 0.48 -4.72 118.70 115.61 2ron s GLU 41 Ca 0.66 1.27 0.09 0.00 0.36 0.00 0.00 54.97 57.35 2ron s GLU 41 Cb -0.06 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2ron s GLU 41 CO 0.44 -0.96 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.42 2ron s MET 42 N 3.85 1.91 -0.25 4.30 -1.94 -0.78 -1.97 119.30 124.41 2ron s MET 42 Ca 0.52 -1.26 -0.26 0.00 -1.71 0.00 0.00 55.69 52.98 2ron s MET 42 Cb -0.16 -2.11 0.13 0.00 2.01 0.00 0.00 34.83 34.69 2ron s MET 42 CO 0.18 0.45 1.05 -0.48 -0.01 0.00 0.00 175.02 176.21 2ron s LEU 43 N -2.54 -0.41 -0.03 -0.03 0.05 -0.80 -0.73 118.68 114.19 2ron s LEU 43 Ca 0.22 0.71 0.01 0.00 0.05 0.00 0.00 54.13 55.12 2ron s LEU 43 Cb -0.09 1.83 0.01 0.00 -2.05 0.00 0.00 46.19 45.89 2ron s LEU 43 CO 0.13 -0.19 -0.05 0.00 -0.55 0.00 0.00 176.35 175.69 2ron s ALA 44 N -0.12 0.64 0.16 1.48 0.00 -0.40 -1.79 121.76 121.73 2ron s ALA 44 Ca 0.02 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2ron s ALA 44 Cb -0.04 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 2ron s ALA 44 CO -0.05 0.04 1.28 0.00 0.00 0.00 0.00 175.76 177.04 2ron s ALA 45 N 0.59 3.50 0.28 0.00 0.00 -0.96 -1.82 121.76 123.35 2ron s ALA 45 Ca -0.08 1.03 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2ron s ALA 45 Cb -0.11 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2ron s ALA 45 CO 0.00 -0.50 0.17 -1.21 0.00 0.00 0.00 175.76 174.22 2ron s GLU 46 N 0.31 2.72 0.62 0.00 0.41 0.95 -4.75 118.70 118.95 2ron s GLU 46 Ca 0.58 -1.21 -0.17 0.00 -0.41 0.00 0.00 54.97 53.76 2ron s GLU 46 Cb -0.35 -2.44 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 2ron s GLU 46 CO 0.35 0.31 1.12 -1.25 -0.49 0.00 0.00 175.26 175.30 2ron s PRO 47 N -3.84 3.01 1.08 0.39 0.04 -1.26 -3.03 135.00 131.39 2ron s PRO 47 Ca 0.34 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 2ron s PRO 47 Cb -0.07 -1.97 0.23 0.00 0.04 0.00 0.00 34.50 32.73 2ron s PRO 47 CO 0.24 -1.10 1.10 -1.25 0.04 0.00 0.00 177.00 176.03 2ron s PRO 48 N -3.80 -0.20 -0.04 0.56 0.04 -1.26 -3.51 135.00 126.80 2ron s PRO 48 Ca 0.69 0.31 0.02 0.00 0.04 0.00 0.00 61.00 62.06 2ron s PRO 48 Cb -0.22 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2ron s PRO 48 CO 0.36 -3.11 -0.01 0.41 0.04 0.00 0.00 177.00 174.69 2ron n GLY 49 N -1.01 -0.12 0.00 0.56 0.00 -1.21 -4.86 105.19 98.54 2ron n GLY 49 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 49 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 50 N -2.36 0.00 -1.04 1.61 8.25 -1.26 -4.93 115.22 115.49 2ron n HIS 50 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.38 2ron n HIS 50 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 2ron n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ron n GLY 51 N 2.87 0.42 0.00 -1.41 0.00 -1.26 -4.71 105.19 101.10 2ron n GLY 51 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.65 0.00 0.00 2.61 5.66 -1.26 -4.65 114.28 113.99 2ron n THR 52 Ca -0.01 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2ron n THR 52 Cb 0.20 1.22 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 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 -0.17 0.00 -3.57 1.09 3.02 -1.26 -4.99 115.26 109.38 2ron n ASN 53 Ca 0.00 0.24 -0.01 0.00 -0.03 0.00 0.00 54.58 54.79 2ron n ASN 53 Cb 0.05 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.74 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ron s GLN 54 N -0.99 0.89 -0.00 3.52 -2.07 -1.26 -4.95 119.66 114.80 2ron s GLN 54 Ca 0.00 -0.58 0.04 0.00 -1.82 0.00 0.00 55.36 53.00 2ron s GLN 54 Cb 0.00 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 2ron s GLN 54 CO 0.00 -0.42 -0.12 0.99 -1.32 0.00 0.00 175.29 174.43 2ron s THR 55 N -2.10 0.91 0.32 3.63 2.01 -1.26 -2.50 115.64 116.65 2ron s THR 55 Ca 0.25 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.76 2ron s THR 55 Cb -0.02 -0.77 0.31 0.00 0.01 0.00 0.00 72.50 72.03 2ron s THR 55 CO 0.03 0.20 1.80 0.77 -0.69 0.00 0.00 174.62 176.72 2ron h SER 56 N 5.71 0.74 -2.49 3.53 4.64 -1.93 -3.46 113.55 120.30 2ron h SER 56 Ca -0.33 0.08 -0.35 0.00 -0.47 0.00 0.00 61.79 60.72 2ron h SER 56 Cb 1.17 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2ron h SER 56 CO 0.48 0.28 -0.45 0.00 -0.87 0.00 0.00 176.83 176.28 2ron n ALA 57 N -2.36 -0.52 -3.58 5.18 0.00 -1.26 -3.05 120.51 114.92 2ron n ALA 57 Ca 0.22 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 2ron n ALA 57 Cb 0.57 -1.93 0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.99 -6.66 -1.14 0.00 2.08 -1.26 -4.91 119.36 103.48 2ron n ILE 58 Ca -0.21 -1.05 0.09 0.00 0.56 0.00 0.00 62.75 62.14 2ron n ILE 58 Cb 0.66 -4.87 0.14 0.00 -0.75 0.00 0.00 39.64 34.81 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -3.95 1.23 -0.22 0.38 1.02 -1.17 -4.76 120.64 113.17 2ron n GLU 59 Ca -0.09 -2.54 -0.00 0.00 -0.02 0.00 0.00 57.16 54.51 2ron n GLU 59 Cb 0.60 -1.46 0.11 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.04 0.41 0.06 1.62 3.04 -1.91 0.27 116.42 119.95 2ron h ASP 60 Ca -0.00 0.06 -0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2ron h ASP 60 Cb 1.02 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2ron h ASP 60 CO 0.00 0.25 -0.04 -0.07 -2.04 0.00 0.00 179.24 177.33 2ron h LEU 61 N 0.56 -0.12 -0.49 0.15 3.38 -1.99 0.20 115.31 117.00 2ron h LEU 61 Ca 0.31 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.39 2ron h LEU 61 Cb 0.31 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2ron h LEU 61 CO -0.25 -0.06 -0.00 -0.08 0.09 0.00 0.00 178.44 178.13 2ron h GLU 62 N -0.10 0.11 0.10 1.13 4.57 -1.90 0.25 114.58 118.74 2ron h GLU 62 Ca -0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2ron h GLU 62 Cb 0.08 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2ron h GLU 62 CO 0.00 0.07 -0.16 1.49 -1.18 0.00 0.00 179.01 179.24 2ron h GLU 63 N 0.11 -0.26 0.08 1.92 4.81 -0.40 0.26 114.58 121.09 2ron h GLU 63 Ca 0.25 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2ron h GLU 63 Cb 0.37 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2ron h GLU 63 CO -0.41 -0.18 -0.41 -0.07 -0.73 0.00 0.00 179.01 177.21 2ron h LEU 64 N -0.27 -1.22 -1.92 1.64 3.38 -0.41 0.31 115.31 116.82 2ron h LEU 64 Ca -0.01 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.26 2ron h LEU 64 Cb 0.25 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2ron h LEU 64 CO -0.05 -0.47 0.54 0.71 0.09 0.00 0.00 178.44 179.26 2ron h THR 65 N -0.62 0.39 0.00 0.22 1.35 -0.44 0.27 112.91 114.08 2ron h THR 65 Ca 0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.84 2ron h THR 65 Cb 0.66 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2ron h THR 65 CO -0.26 0.00 -0.28 -0.78 -0.25 0.00 0.00 175.52 173.95 2ron h ASP 66 N 0.00 0.00 0.42 5.36 3.58 0.17 0.26 116.42 126.21 2ron h ASP 66 Ca 0.27 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2ron h ASP 66 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2ron h ASP 66 CO -0.00 1.04 0.00 0.18 -2.88 0.00 0.00 179.24 177.58 2ron n LEU 67 N -4.59 0.34 -0.08 2.28 4.77 0.88 0.21 117.00 120.80 2ron n LEU 67 Ca -0.13 0.61 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2ron n LEU 67 Cb 0.46 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2ron n LEU 67 CO 0.26 -0.53 -1.00 -1.22 -1.33 0.00 0.00 177.39 173.58 2ron n TYR 68 N -1.90 0.00 -0.52 -1.77 4.02 0.83 -4.58 117.16 113.24 2ron n TYR 68 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.84 2ron n TYR 68 Cb 0.14 -0.60 0.21 0.00 -0.02 0.00 0.00 39.34 39.07 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ron n LYS 69 N -3.92 2.86 -0.33 -0.72 5.02 0.92 -4.54 118.16 117.46 2ron n LYS 69 Ca -0.31 -2.26 0.17 0.00 -2.02 0.00 0.00 58.31 53.89 2ron n LYS 69 Cb 0.67 -1.96 0.37 0.00 -0.02 0.00 0.00 35.03 34.09 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ron h GLN 70 N 1.80 0.45 0.00 1.97 5.75 -0.36 -3.20 115.11 121.51 2ron h GLN 70 Ca 0.24 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2ron h GLN 70 Cb 2.00 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.45 2ron h GLN 70 CO 0.60 0.30 -0.02 1.49 -2.65 0.00 0.00 178.83 178.54 2ron h GLU 71 N 0.46 0.00 -6.52 1.69 4.57 -1.84 -3.46 114.58 109.48 2ron h GLU 71 Ca 0.63 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 58.28 2ron h GLU 71 Cb 1.24 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.86 2ron h GLU 71 CO -0.52 0.00 0.94 -0.51 -1.18 0.00 0.00 179.01 177.74 2ron s LEU 72 N -4.64 4.37 -0.48 1.64 1.43 -1.21 -4.95 118.68 114.83 2ron s LEU 72 Ca -0.01 2.54 -0.23 0.00 -1.03 0.00 0.00 54.13 55.40 2ron s LEU 72 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.68 2ron s LEU 72 CO 0.01 -0.85 0.80 0.20 0.23 0.00 0.00 176.35 176.74 2ron s ASN 73 N 1.83 6.37 0.24 2.29 0.01 -1.26 -4.65 114.94 119.78 2ron s ASN 73 Ca 0.72 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.65 2ron s ASN 73 Cb -0.41 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 38.81 2ron s ASN 73 CO 0.32 -0.99 0.02 -0.22 -1.51 0.00 0.00 177.10 174.72 2ron s LEU 74 N 3.37 2.11 0.45 0.60 2.96 -1.26 -5.16 118.68 121.75 2ron s LEU 74 Ca 0.28 -1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 52.92 2ron s LEU 74 Cb -0.13 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 2ron s LEU 74 CO 0.21 -0.55 0.70 -0.13 -1.32 0.00 0.00 176.35 175.26 2ron s ARG 75 N -3.89 3.37 0.00 1.98 0.52 -1.26 -5.10 118.95 114.56 2ron s ARG 75 Ca 0.30 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2ron s ARG 75 Cb 0.06 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 33.05 2ron s ARG 75 CO 0.10 -0.16 0.00 -0.35 0.02 0.00 0.00 175.30 174.90 2ron n PRO 76 N -2.12 -0.47 -3.39 3.54 -0.04 -1.26 -5.01 135.00 126.24 2ron n PRO 76 Ca -0.01 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2ron n PRO 76 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 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 6.74 0.02 3.54 1.11 -1.26 -5.01 116.67 120.30 2ron s ASP 77 Ca 0.00 0.88 -0.29 0.00 0.18 0.00 0.00 52.55 53.32 2ron s ASP 77 Cb 0.00 -2.27 -0.16 0.00 1.07 0.00 0.00 42.92 41.56 2ron s ASP 77 CO 0.00 0.15 1.21 0.03 1.18 0.00 0.00 175.17 177.74 2ron h ARG 78 N 5.81 -1.01 -7.17 8.23 3.08 -1.89 -3.45 114.38 117.97 2ron h ARG 78 Ca -0.46 0.07 -0.51 0.00 0.07 0.00 0.00 59.98 59.16 2ron h ARG 78 Cb 1.20 0.23 0.09 0.00 0.08 0.00 0.00 29.97 31.57 2ron h ARG 78 CO 0.69 -0.67 0.39 -1.25 -1.07 0.00 0.00 179.97 178.06 2ron s PRO 79 N -4.97 2.95 -0.29 0.04 0.04 -1.26 -4.52 135.00 126.98 2ron s PRO 79 Ca -0.15 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.17 2ron s PRO 79 Cb 0.02 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.71 2ron s PRO 79 CO 0.46 -1.14 0.84 0.12 0.04 0.00 0.00 177.00 177.32 2ron s PHE 80 N -2.20 -0.82 -0.09 0.56 5.36 -0.98 -3.46 117.98 116.36 2ron s PHE 80 Ca 0.68 1.61 0.02 0.00 -0.96 0.00 0.00 56.93 58.28 2ron s PHE 80 Cb -0.21 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 42.97 2ron s PHE 80 CO 0.38 -0.41 -0.14 0.14 -1.46 0.00 0.00 175.22 173.74 2ron s VAL 81 N 1.61 1.31 -0.11 3.12 -7.23 -0.49 -3.78 120.40 114.83 2ron s VAL 81 Ca -0.09 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 2ron s VAL 81 Cb -0.05 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 2ron s VAL 81 CO -0.17 0.40 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.59 2ron s LEU 82 N 0.84 2.31 -0.46 1.32 0.20 -1.24 0.19 118.68 121.84 2ron s LEU 82 Ca -0.11 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.26 2ron s LEU 82 Cb -0.15 -1.48 0.13 0.00 -0.43 0.00 0.00 46.19 44.26 2ron s LEU 82 CO 0.01 0.16 0.23 -0.36 -0.29 0.00 0.00 176.35 176.11 2ron s PHE 83 N 0.33 2.46 0.00 5.38 0.08 -0.86 -4.24 117.98 121.14 2ron s PHE 83 Ca -0.16 -2.68 0.00 0.00 0.12 0.00 0.00 56.93 54.21 2ron s PHE 83 Cb -0.17 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.03 2ron s PHE 83 CO 0.08 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 2ron n GLY 84 N 3.49 -0.35 4.03 4.36 0.00 -1.26 -2.31 105.19 113.15 2ron n GLY 84 Ca 0.07 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 2ron n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 85 N 0.30 1.31 -0.39 1.61 0.09 -1.26 -4.84 115.29 112.11 2ron s HIS 85 Ca 0.00 -0.76 0.06 0.00 -0.00 0.00 0.00 55.06 54.36 2ron s HIS 85 Cb 0.00 -2.17 0.53 0.00 -0.00 0.00 0.00 32.58 30.95 2ron s HIS 85 CO 0.00 -1.15 1.53 0.43 -0.00 0.00 0.00 174.74 175.55 2ron n SER 86 N -2.23 3.97 -0.00 1.40 7.64 -1.26 -4.27 113.62 118.86 2ron n SER 86 Ca 0.15 -2.92 -0.01 0.00 1.01 0.00 0.00 58.87 57.10 2ron n SER 86 Cb 0.62 -0.69 -0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2ron n SER 86 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ron n MET 87 N -0.13 0.05 0.00 1.43 2.81 -1.26 -5.10 117.12 114.92 2ron n MET 87 Ca 0.32 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 2ron n MET 87 Cb 1.15 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 33.25 2ron n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ron n GLY 88 N 2.35 1.26 0.00 3.03 0.00 -1.26 -5.11 105.19 105.46 2ron n GLY 88 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.25 0.00 -0.02 0.00 -1.26 -4.60 105.19 99.56 2ron n GLY 89 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2ron n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ron n MET 90 N 0.00 0.00 -0.33 1.61 1.56 -1.26 -1.52 117.12 117.18 2ron n MET 90 Ca 0.00 0.37 0.17 0.00 -0.27 0.00 0.00 57.70 57.96 2ron n MET 90 Cb 0.00 -1.24 0.40 0.00 2.15 0.00 0.00 33.22 34.53 2ron n MET 90 CO 0.00 0.00 0.00 -0.84 -0.73 0.00 0.00 175.97 174.40 2ron h ILE 91 N 0.00 0.65 0.00 1.12 3.07 -1.96 0.28 117.51 120.66 2ron h ILE 91 Ca 0.00 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.20 2ron h ILE 91 Cb 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 36.82 36.54 2ron h ILE 91 CO 0.00 0.11 0.00 0.41 -1.05 0.00 0.00 178.15 177.62 2ron n THR 92 N -4.70 0.00 -0.23 0.16 -1.04 -1.23 -0.93 114.28 106.30 2ron n THR 92 Ca 0.23 1.29 0.03 0.00 -2.04 0.00 0.00 64.05 63.56 2ron n THR 92 Cb 0.68 -2.27 0.15 0.00 -1.82 0.00 0.00 70.33 67.06 2ron n THR 92 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2ron h PHE 93 N 0.00 0.42 -0.56 -1.42 3.04 -1.11 -1.13 116.94 116.18 2ron h PHE 93 Ca 0.00 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.09 2ron h PHE 93 Cb 0.00 -0.08 -0.08 0.00 2.56 0.00 0.00 35.95 38.34 2ron h PHE 93 CO 0.11 0.06 0.10 -0.09 -2.02 0.00 0.00 178.31 176.47 2ron h ARG 94 N 0.40 0.22 -0.65 1.11 2.43 -0.47 0.85 114.38 118.27 2ron h ARG 94 Ca 0.37 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2ron h ARG 94 Cb 0.52 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2ron h ARG 94 CO -0.38 0.15 0.29 -0.07 -1.51 0.00 0.00 179.97 178.45 2ron h LEU 95 N 0.23 0.85 -0.60 3.80 3.38 0.19 -1.04 115.31 122.12 2ron h LEU 95 Ca 0.29 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2ron h LEU 95 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2ron h LEU 95 CO -0.39 0.74 -0.10 0.00 0.09 0.00 0.00 178.44 178.77 2ron h ALA 96 N 1.39 0.80 0.53 1.53 0.00 -0.38 -1.44 119.26 121.68 2ron h ALA 96 Ca 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2ron h ALA 96 Cb 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ron h ALA 96 CO -0.02 0.67 -0.26 0.37 0.00 0.00 0.00 179.25 180.00 2ron h GLN 97 N 0.90 -0.69 -0.70 0.00 5.75 -0.50 -0.62 115.11 119.24 2ron h GLN 97 Ca 0.14 0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.83 2ron h GLN 97 Cb 0.66 0.16 -0.10 0.00 1.07 0.00 0.00 27.48 29.27 2ron h GLN 97 CO 0.05 -0.46 0.22 1.57 -2.65 0.00 0.00 178.83 177.55 2ron h LYS 98 N -1.09 0.33 -0.56 1.69 5.09 -1.28 0.61 116.57 121.36 2ron h LYS 98 Ca -0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 60.65 60.58 2ron h LYS 98 Cb 0.55 -0.08 -0.02 0.00 0.10 0.00 0.00 32.23 32.78 2ron h LYS 98 CO 0.12 0.22 0.09 1.25 -2.09 0.00 0.00 179.45 179.04 2ron h LEU 99 N 0.34 0.85 0.47 7.07 7.12 -1.31 0.32 115.31 130.17 2ron h LEU 99 Ca 0.38 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 2ron h LEU 99 Cb 0.60 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2ron h LEU 99 CO -0.43 0.86 -0.23 -0.08 -0.13 0.00 0.00 178.44 178.43 2ron h GLU 100 N 0.85 -0.61 -0.10 1.25 4.57 0.70 -1.90 114.58 119.34 2ron h GLU 100 Ca 0.18 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2ron h GLU 100 Cb 0.37 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2ron h GLU 100 CO 0.01 -0.35 -0.17 0.07 -1.18 0.00 0.00 179.01 177.39 2ron h ARG 101 N -0.77 0.16 -0.73 1.92 0.11 -1.09 -2.03 114.38 111.96 2ron h ARG 101 Ca -0.07 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 59.93 2ron h ARG 101 Cb 0.55 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.58 2ron h ARG 101 CO 0.11 0.33 0.25 0.93 0.10 0.00 0.00 179.97 181.69 2ron h GLU 102 N 0.15 1.11 0.08 0.08 4.39 -0.74 -3.24 114.58 116.40 2ron h GLU 102 Ca 0.03 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2ron h GLU 102 Cb 0.39 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2ron h GLU 102 CO 0.03 0.93 -0.04 0.78 -1.16 0.00 0.00 179.01 179.54 2ron h GLY 103 N 1.11 -0.11 -6.13 -3.84 0.00 -0.92 -3.46 103.07 89.71 2ron h GLY 103 Ca 0.24 0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.45 2ron h GLY 103 CO -0.01 -0.04 -0.44 -0.42 0.00 0.00 0.00 176.54 175.62 2ron s ILE 104 N -2.93 -0.34 -0.01 2.60 -1.09 -0.80 -4.83 121.20 113.78 2ron s ILE 104 Ca -0.13 0.20 -0.22 0.00 -2.23 0.00 0.00 60.65 58.27 2ron s ILE 104 Cb -0.00 -0.52 -0.13 0.00 -1.58 0.00 0.00 42.46 40.22 2ron s ILE 104 CO 0.49 0.08 0.96 0.15 -1.23 0.00 0.00 174.94 175.39 2ron h PHE 105 N 7.87 -0.52 -1.44 3.97 3.57 -1.81 -3.39 116.94 125.20 2ron h PHE 105 Ca -0.23 -0.01 -0.41 0.00 3.53 0.00 0.00 57.97 60.85 2ron h PHE 105 Cb 1.13 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 2ron h PHE 105 CO 0.33 -0.21 1.09 -1.25 -2.23 0.00 0.00 178.31 176.04 2ron s PRO 106 N -4.05 2.60 -0.05 6.41 0.04 -1.26 -4.96 135.00 133.72 2ron s PRO 106 Ca -0.12 0.22 -0.03 0.00 0.04 0.00 0.00 61.00 61.11 2ron s PRO 106 Cb 0.01 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 2ron s PRO 106 CO 0.41 -3.01 0.09 -0.65 0.04 0.00 0.00 177.00 173.88 2ron s GLN 107 N 7.03 3.19 0.00 4.56 -0.21 -1.26 -4.88 119.66 128.08 2ron s GLN 107 Ca 0.68 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.71 2ron s GLN 107 Cb -0.10 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 30.95 2ron s GLN 107 CO 0.11 0.70 0.00 0.00 -2.12 0.00 0.00 175.29 173.98 2ron n ALA 108 N 1.58 0.00 -2.85 6.09 0.00 -1.26 -4.95 120.51 119.12 2ron n ALA 108 Ca -0.16 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 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 -0.46 5.47 -0.15 0.00 -7.23 -1.26 -3.81 120.40 112.96 2ron s VAL 109 Ca 0.00 0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 60.19 2ron s VAL 109 Cb 0.00 -3.43 0.06 0.00 0.56 0.00 0.00 36.38 33.57 2ron s VAL 109 CO 0.00 0.61 0.61 0.27 -0.31 0.00 0.00 175.10 176.29 2ron s ILE 110 N -1.04 0.01 -0.05 -0.62 -4.36 -0.85 -2.32 121.20 111.96 2ron s ILE 110 Ca 0.16 -0.05 0.05 0.00 -0.26 0.00 0.00 60.65 60.55 2ron s ILE 110 Cb -0.12 -0.89 -0.01 0.00 1.25 0.00 0.00 42.46 42.69 2ron s ILE 110 CO 0.05 -0.03 -0.21 -0.51 0.24 0.00 0.00 174.94 174.48 2ron s ILE 111 N -0.32 1.73 -0.01 8.37 -1.16 -1.25 -3.16 121.20 125.41 2ron s ILE 111 Ca -0.05 -0.89 -0.04 0.00 -0.51 0.00 0.00 60.65 59.17 2ron s ILE 111 Cb -0.03 -1.48 -0.04 0.00 0.61 0.00 0.00 42.46 41.52 2ron s ILE 111 CO 0.04 0.49 0.20 -0.44 -2.81 0.00 0.00 174.94 172.43 2ron s SER 112 N -0.05 6.40 0.22 4.50 0.01 -1.01 -3.60 113.70 120.17 2ron s SER 112 Ca -0.04 0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.56 2ron s SER 112 Cb -0.13 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 2ron s SER 112 CO 0.03 0.26 0.29 0.00 0.41 0.00 0.00 173.24 174.23 2ron s ALA 113 N -1.32 0.55 -1.15 1.44 0.00 -1.26 -3.57 121.76 116.45 2ron s ALA 113 Ca 0.27 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 2ron s ALA 113 Cb -0.13 1.25 -0.03 0.00 0.00 0.00 0.00 23.12 24.21 2ron s ALA 113 CO 0.18 -0.71 0.82 -0.89 0.00 0.00 0.00 175.76 175.16 2ron n ILE 114 N -0.32 -6.70 -2.88 0.00 5.41 -1.26 -4.80 119.36 108.81 2ron n ILE 114 Ca 0.00 -0.99 -0.43 0.00 1.00 0.00 0.00 62.75 62.34 2ron n ILE 114 Cb 0.64 -4.98 -0.04 0.00 -0.71 0.00 0.00 39.64 34.55 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 -5.43 3.62 0.93 0.38 -0.21 -1.26 -4.61 119.66 113.08 2ron s GLN 115 Ca 0.36 0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.85 2ron s GLN 115 Cb -0.09 -3.88 0.15 0.00 1.00 0.00 0.00 33.01 30.19 2ron s GLN 115 CO 0.81 -1.06 1.09 -1.25 -2.12 0.00 0.00 175.29 172.76 2ron s PRO 116 N 3.46 1.02 0.17 2.91 0.04 -1.26 -3.54 135.00 137.80 2ron s PRO 116 Ca 0.35 0.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 2ron s PRO 116 Cb -0.12 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.69 2ron s PRO 116 CO 0.22 -2.38 1.52 -1.00 0.04 0.00 0.00 177.00 175.40 2ron h PRO 117 N -1.65 0.80 -6.91 0.56 0.13 -1.95 -3.45 132.00 119.53 2ron h PRO 117 Ca -0.51 -0.41 -0.56 0.00 -0.87 0.00 0.00 66.00 63.64 2ron h PRO 117 Cb 1.30 0.01 0.15 0.00 0.13 0.00 0.00 31.00 32.59 2ron h PRO 117 CO 0.55 1.04 0.35 -2.39 -0.23 0.00 0.00 178.00 177.33 2ron n HIS 118 N -4.04 1.56 -4.14 1.56 1.44 -1.26 -4.94 115.22 105.40 2ron n HIS 118 Ca -0.02 0.45 -0.15 0.00 -2.01 0.00 0.00 57.72 55.99 2ron n HIS 118 Cb 0.54 -2.25 -0.12 0.00 0.12 0.00 0.00 29.99 28.27 2ron n HIS 118 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2ron s ILE 119 N -1.38 0.69 -0.15 0.61 1.09 -1.26 -4.77 121.20 116.04 2ron s ILE 119 Ca 0.73 -0.97 -0.29 0.00 -1.10 0.00 0.00 60.65 59.02 2ron s ILE 119 Cb -0.43 -0.70 -0.07 0.00 -1.06 0.00 0.00 42.46 40.20 2ron s ILE 119 CO 0.49 -0.22 2.14 1.67 -0.10 0.00 0.00 174.94 178.92 2ron n GLN 120 N 1.73 2.20 -1.50 2.79 -0.06 -1.26 -4.74 117.38 116.54 2ron n GLN 120 Ca -0.20 0.68 -0.51 0.00 -2.00 0.00 0.00 57.00 54.97 2ron n GLN 120 Cb 0.55 -3.13 -0.07 0.00 -4.06 0.00 0.00 30.24 23.53 2ron n GLN 120 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2ron n ARG 121 N 8.33 1.26 -4.33 3.69 1.85 -1.26 -4.91 116.66 121.29 2ron n ARG 121 Ca 0.27 0.37 -0.21 0.00 -1.00 0.00 0.00 57.85 57.29 2ron n ARG 121 Cb 0.42 -2.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.26 2ron n ARG 121 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2ron s LYS 122 N 5.74 1.78 -0.23 2.89 1.02 -1.26 -5.09 119.74 124.60 2ron s LYS 122 Ca 1.06 -2.05 -0.01 0.00 0.02 0.00 0.00 55.97 54.99 2ron s LYS 122 Cb -0.83 0.14 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 2ron s LYS 122 CO 0.50 -0.62 -0.09 0.21 -0.92 0.00 0.00 175.35 174.43 2ron s LYS 123 N -3.51 2.97 0.19 1.68 2.20 -1.26 -4.80 119.74 117.21 2ron s LYS 123 Ca 0.37 -0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 2ron s LYS 123 Cb 0.02 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2ron s LYS 123 CO 0.25 -0.32 0.23 0.14 -0.36 0.00 0.00 175.35 175.30 2ron s VAL 124 N 1.34 0.04 -0.35 4.02 -7.23 -1.26 -5.04 120.40 111.92 2ron s VAL 124 Ca 0.02 -1.69 0.09 0.00 -1.81 0.00 0.00 61.98 58.60 2ron s VAL 124 Cb -0.15 -2.17 0.75 0.00 0.56 0.00 0.00 36.38 35.37 2ron s VAL 124 CO -0.06 -0.17 1.84 -0.24 -0.31 0.00 0.00 175.10 176.16 2ron n SER 125 N -0.25 4.76 0.15 4.85 2.88 -1.26 -4.64 113.62 120.12 2ron n SER 125 Ca -0.03 -3.28 -0.06 0.00 -1.33 0.00 0.00 58.87 54.17 2ron n SER 125 Cb 0.64 -0.77 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 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 2.50 -0.41 -3.60 0.66 6.17 -1.98 -3.47 115.15 115.02 2ron h HIS 126 Ca 0.32 -0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.33 2ron h HIS 126 Cb 2.44 0.14 -0.13 0.00 2.52 0.00 0.00 27.41 32.38 2ron h HIS 126 CO 1.36 -0.24 -0.21 -0.51 0.71 0.00 0.00 177.93 179.04 2ron s LEU 127 N -5.97 0.84 0.03 0.26 1.02 -1.26 -5.01 118.68 108.59 2ron s LEU 127 Ca -0.06 -0.51 0.15 0.00 0.02 0.00 0.00 54.13 53.73 2ron s LEU 127 Cb 0.01 1.48 0.65 0.00 0.02 0.00 0.00 46.19 48.35 2ron s LEU 127 CO 0.19 -0.82 1.49 -0.81 0.02 0.00 0.00 176.35 176.42 2ron n PRO 128 N -0.16 0.02 0.00 1.29 -0.04 -1.26 -2.23 135.00 132.62 2ron n PRO 128 Ca -0.15 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2ron n PRO 128 Cb 0.63 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.59 0.65 0.04 3.54 8.00 -1.26 -4.69 116.55 121.24 2ron n ASP 129 Ca 0.03 -0.82 -0.05 0.00 0.71 0.00 0.00 54.79 54.66 2ron n ASP 129 Cb 0.17 0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 42.00 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 -0.45 -0.75 -2.24 1.82 -1.84 -1.19 116.42 112.15 2ron h ASP 130 Ca 0.00 0.05 0.22 0.00 -0.39 0.00 0.00 57.03 56.90 2ron h ASP 130 Cb 0.20 0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 2ron h ASP 130 CO 0.00 -0.16 0.54 0.06 -1.61 0.00 0.00 179.24 178.07 2ron h GLN 131 N -0.22 0.00 0.65 0.28 -0.00 -1.85 0.17 115.11 114.13 2ron h GLN 131 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 2ron h GLN 131 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.70 2ron h GLN 131 CO -0.07 0.00 -0.32 0.35 -0.00 0.00 0.00 178.83 178.78 2ron h PHE 132 N 0.00 -0.84 0.00 0.06 3.04 -1.53 -2.07 116.94 115.59 2ron h PHE 132 Ca 0.36 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.24 2ron h PHE 132 Cb 1.44 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 40.23 2ron h PHE 132 CO 0.00 -0.52 -0.24 1.37 -2.02 0.00 0.00 178.31 176.90 2ron h LEU 133 N -0.89 0.00 -1.15 0.59 8.10 -0.40 -1.84 115.31 119.72 2ron h LEU 133 Ca -0.09 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.85 2ron h LEU 133 Cb 0.69 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 2ron h LEU 133 CO 0.14 0.24 0.03 -0.78 -4.11 0.00 0.00 178.44 173.97 2ron h ASP 134 N 0.00 0.58 0.37 0.17 1.82 -0.47 -1.35 116.42 117.54 2ron h ASP 134 Ca -0.00 -0.11 -0.27 0.00 -0.39 0.00 0.00 57.03 56.25 2ron h ASP 134 Cb 0.93 -0.15 -0.05 0.00 0.68 0.00 0.00 39.33 40.74 2ron h ASP 134 CO 0.03 0.63 -1.86 0.00 -1.61 0.00 0.00 179.24 176.44 2ron n HIS 135 N -4.27 0.65 0.22 0.28 1.44 -0.80 -4.08 115.22 108.66 2ron n HIS 135 Ca 0.02 0.23 0.10 0.00 -2.01 0.00 0.00 57.72 56.06 2ron n HIS 135 Cb 0.24 -1.08 0.50 0.00 0.12 0.00 0.00 29.99 29.78 2ron n HIS 135 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 2ron h ILE 136 N 0.00 0.64 -6.96 0.61 6.09 -1.18 -3.47 117.51 113.24 2ron h ILE 136 Ca -0.32 -1.06 -0.58 0.00 -1.37 0.00 0.00 64.86 61.53 2ron h ILE 136 Cb 1.94 1.69 -0.17 0.00 0.47 0.00 0.00 36.82 40.75 2ron h ILE 136 CO 0.05 0.23 -0.91 2.30 -3.07 0.00 0.00 178.15 176.75 2ron n ILE 137 N -3.50 -1.18 0.00 2.19 -5.35 -0.52 -4.85 119.36 106.15 2ron n ILE 137 Ca -0.00 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2ron n ILE 137 Cb 0.40 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.18 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 -4.43 0.00 -3.88 6.28 7.27 -1.26 -4.50 117.38 116.86 2ron n GLN 138 Ca -0.27 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.43 2ron n GLN 138 Cb 0.63 -0.18 0.02 0.00 2.41 0.00 0.00 30.24 33.13 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 -2.21 -1.74 0.00 1.69 7.99 -1.26 -3.51 117.00 117.95 2ron n LEU 139 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 56.01 54.87 2ron n LEU 139 Cb 0.00 -2.06 0.00 0.00 -0.11 0.00 0.00 43.42 41.25 2ron n LEU 139 CO 0.00 0.60 0.00 0.61 -1.51 0.00 0.00 177.39 177.09 2ron n GLY 140 N -1.91 0.68 2.79 -0.72 0.00 -1.26 -4.85 105.19 99.93 2ron n GLY 140 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -3.53 2.80 -0.02 0.00 -1.25 -4.99 105.19 98.19 2ron n GLY 141 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.10 1.44 -0.73 1.61 0.00 -1.23 -5.05 119.30 114.25 2ron s MET 142 Ca -0.09 -2.08 -0.26 0.00 0.00 0.00 0.00 55.69 53.26 2ron s MET 142 Cb 0.01 -2.63 -0.03 0.00 0.00 0.00 0.00 34.83 32.18 2ron s MET 142 CO 0.59 -1.12 1.90 -1.25 0.00 0.00 0.00 175.02 175.14 2ron s PRO 143 N 0.32 2.59 -0.30 4.11 0.04 -1.26 -4.70 135.00 135.80 2ron s PRO 143 Ca 0.16 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.32 2ron s PRO 143 Cb -0.24 -4.66 0.17 0.00 0.04 0.00 0.00 34.50 29.81 2ron s PRO 143 CO -0.02 -3.00 0.97 0.00 0.04 0.00 0.00 177.00 174.99 2ron s ALA 144 N 9.50 -2.87 0.00 8.56 0.00 -1.26 -5.04 121.76 130.65 2ron s ALA 144 Ca 0.68 1.86 0.00 0.00 0.00 0.00 0.00 51.96 54.50 2ron s ALA 144 Cb -0.10 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2ron s ALA 144 CO 0.12 -1.13 0.00 -0.85 0.00 0.00 0.00 175.76 173.90 2ron n GLU 145 N 5.15 2.94 -0.40 0.00 0.28 -1.26 -4.76 120.64 122.59 2ron n GLU 145 Ca -0.08 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.01 2ron n GLU 145 Cb 0.53 -0.72 0.24 0.00 1.43 0.00 0.00 31.44 32.92 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2ron n LEU 146 N -0.79 3.71 0.00 -1.84 -0.00 -1.26 -4.39 117.00 112.43 2ron n LEU 146 Ca 0.00 -2.88 0.00 0.00 -0.00 0.00 0.00 56.01 53.13 2ron n LEU 146 Cb 0.06 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 2ron n LEU 146 CO 0.00 0.68 0.16 1.33 -0.00 0.00 0.00 177.39 179.56 2ron n VAL 147 N -0.41 0.00 0.23 1.47 0.24 -1.26 -4.67 118.33 113.93 2ron n VAL 147 Ca 0.20 -0.46 0.16 0.00 -2.04 0.00 0.00 64.34 62.20 2ron n VAL 147 Cb 0.82 1.06 0.83 0.00 -1.47 0.00 0.00 33.84 35.08 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 0.00 0.28 7.34 4.11 -1.87 0.27 114.58 124.71 2ron h GLU 148 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2ron h GLU 148 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2ron h GLU 148 CO 0.00 0.00 -0.13 -0.91 0.07 0.00 0.00 179.01 178.04 2ron h ASN 149 N 0.00 -0.32 0.31 3.06 4.21 -1.91 -3.01 115.58 117.92 2ron h ASN 149 Ca 0.06 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 2ron h ASN 149 Cb 0.31 0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.59 2ron h ASN 149 CO -0.00 0.12 -0.09 0.07 -1.29 0.00 0.00 177.43 176.23 2ron h LYS 150 N -1.06 0.00 -0.09 0.81 2.10 -1.82 -2.48 116.57 114.03 2ron h LYS 150 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2ron h LYS 150 Cb 0.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2ron h LYS 150 CO 0.06 0.09 0.02 0.93 -2.00 0.00 0.00 179.45 178.55 2ron h GLU 151 N 0.00 0.14 0.00 0.07 5.08 -0.53 0.24 114.58 119.58 2ron h GLU 151 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ron h GLU 151 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ron h GLU 151 CO 0.01 0.35 0.00 -0.24 -1.00 0.00 0.00 179.01 178.13 2ron h VAL 152 N -0.08 0.00 -0.02 3.13 3.04 -1.34 0.36 116.25 121.33 2ron h VAL 152 Ca 0.03 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2ron h VAL 152 Cb 0.27 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2ron h VAL 152 CO 0.00 0.00 -0.11 0.23 -1.01 0.00 0.00 177.57 176.68 2ron n MET 153 N -3.01 1.96 0.00 4.17 2.81 -0.96 -4.17 117.12 117.91 2ron n MET 153 Ca 0.01 -1.57 0.00 0.00 -1.81 0.00 0.00 57.70 54.34 2ron n MET 153 Cb 0.35 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.85 0.00 0.13 7.83 7.64 0.80 -4.47 113.62 126.40 2ron n SER 154 Ca 0.13 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.21 2ron n SER 154 Cb 0.54 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.46 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 0.00 0.00 -4.90 1.43 -1.00 -0.45 -3.32 116.94 108.70 2ron h PHE 155 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ron h PHE 155 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2ron h PHE 155 CO 0.00 0.00 -0.09 0.34 -1.61 0.00 0.00 178.31 176.95 2ron n PHE 156 N -3.47 -2.51 -0.86 -0.55 7.35 -0.82 -4.46 117.46 112.14 2ron n PHE 156 Ca 0.06 0.97 -0.34 0.00 -0.76 0.00 0.00 57.45 57.38 2ron n PHE 156 Cb 0.65 -3.61 0.09 0.00 0.35 0.00 0.00 39.48 36.96 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2ron n LEU 157 N -1.34 -2.42 0.07 -2.13 -0.00 -1.26 -4.72 117.00 105.21 2ron n LEU 157 Ca 0.02 0.24 -0.04 0.00 -0.00 0.00 0.00 56.01 56.23 2ron n LEU 157 Cb 0.47 -1.02 0.17 0.00 -0.00 0.00 0.00 43.42 43.05 2ron n LEU 157 CO 0.42 -4.40 0.59 1.55 -0.00 0.00 0.00 177.39 175.55 2ron h PRO 158 N -1.38 0.31 -5.51 1.47 0.13 -1.87 -3.42 132.00 121.73 2ron h PRO 158 Ca -0.44 -0.16 -0.32 0.00 -0.87 0.00 0.00 66.00 64.21 2ron h PRO 158 Cb 1.30 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ron h PRO 158 CO 0.30 0.71 1.14 0.45 -0.23 0.00 0.00 178.00 180.37 2ron n SER 159 N -3.99 2.09 0.29 1.44 2.88 -1.26 -4.83 113.62 110.24 2ron n SER 159 Ca -0.02 -0.81 -0.11 0.00 -1.33 0.00 0.00 58.87 56.60 2ron n SER 159 Cb 0.52 -1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 62.34 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2ron h PHE 160 N 17.30 -0.70 -1.49 0.66 0.04 -1.92 -2.57 116.94 128.26 2ron h PHE 160 Ca -0.16 -0.02 0.45 0.00 2.80 0.00 0.00 57.97 61.05 2ron h PHE 160 Cb 1.19 0.23 -0.09 0.00 2.20 0.00 0.00 35.95 39.48 2ron h PHE 160 CO 1.03 -0.43 1.03 0.07 -0.60 0.00 0.00 178.31 179.41 2ron h ARG 161 N -0.74 0.06 0.29 1.51 -0.00 -1.94 0.60 114.38 114.16 2ron h ARG 161 Ca -0.07 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 2ron h ARG 161 Cb 0.57 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 2ron h ARG 161 CO 0.12 0.04 -0.14 1.03 -0.00 0.00 0.00 179.97 181.02 2ron h SER 162 N 0.06 -0.33 -0.02 0.08 0.87 -1.85 -1.69 113.55 110.67 2ron h SER 162 Ca 0.79 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.36 2ron h SER 162 Cb 2.84 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 64.88 2ron h SER 162 CO -0.18 -0.23 -0.01 -2.24 -0.53 0.00 0.00 176.83 173.64 2ron h ASP 163 N -0.41 0.04 -0.97 6.23 3.04 -0.99 0.57 116.42 123.94 2ron h ASP 163 Ca -0.04 -0.40 0.28 0.00 -3.24 0.00 0.00 57.03 53.63 2ron h ASP 163 Cb 0.30 -0.01 -0.14 0.00 -1.04 0.00 0.00 39.33 38.44 2ron h ASP 163 CO 0.07 0.44 0.48 1.88 -2.04 0.00 0.00 179.24 180.06 2ron h TYR 164 N -0.35 0.78 0.06 4.15 -1.99 0.02 0.65 116.97 120.30 2ron h TYR 164 Ca 0.00 0.04 -0.27 0.00 2.00 0.00 0.00 58.73 60.50 2ron h TYR 164 Cb 0.42 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 2ron h TYR 164 CO 0.06 -0.14 -1.40 -0.09 -0.00 0.00 0.00 178.16 176.60 2ron h ARG 165 N 0.34 0.12 0.00 4.88 1.12 -1.23 0.30 114.38 119.91 2ron h ARG 165 Ca 0.67 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 59.32 2ron h ARG 165 Cb 1.43 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.47 2ron h ARG 165 CO -0.60 0.96 0.00 0.00 -3.11 0.00 0.00 179.97 177.22 2ron n ALA 166 N -2.54 2.36 0.00 2.80 0.00 0.88 0.12 120.51 124.12 2ron n ALA 166 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2ron n ALA 166 Cb 1.01 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2ron n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ron n LEU 167 N -1.18 1.58 -0.07 0.00 7.94 0.19 -4.83 117.00 120.63 2ron n LEU 167 Ca 0.15 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.01 2ron n LEU 167 Cb 0.16 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.98 2ron n LEU 167 CO 0.18 0.26 -0.97 -0.62 -1.11 0.00 0.00 177.39 175.13 2ron n GLU 168 N -2.06 1.12 -3.76 1.96 1.02 0.10 -5.00 120.64 114.03 2ron n GLU 168 Ca 0.00 -0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 2ron n GLU 168 Cb 0.37 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.51 -4.43 0.00 3.49 6.02 0.12 -4.79 117.38 115.28 2ron n GLN 169 Ca -0.22 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2ron n GLN 169 Cb 0.92 -5.35 0.00 0.00 1.02 0.00 0.00 30.24 26.83 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 -4.40 0.00 -0.79 1.08 7.35 -1.26 -5.04 117.46 114.40 2ron n PHE 170 Ca 0.03 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.39 2ron n PHE 170 Cb 0.53 0.00 0.15 0.00 0.35 0.00 0.00 39.48 40.50 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 -2.04 -0.30 -4.46 -4.13 -0.58 -1.26 -5.04 120.64 102.83 2ron n GLU 171 Ca 0.00 -0.03 -0.24 0.00 -0.42 0.00 0.00 57.16 56.47 2ron n GLU 171 Cb 0.34 -2.20 -0.08 0.00 -0.57 0.00 0.00 31.44 28.92 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 -4.54 1.92 0.58 -4.62 1.43 -1.26 -4.88 118.68 107.32 2ron s LEU 172 Ca 0.65 -1.72 0.36 0.00 -1.03 0.00 0.00 54.13 52.39 2ron s LEU 172 Cb -0.24 0.09 1.63 0.00 0.03 0.00 0.00 46.19 47.71 2ron s LEU 172 CO 0.60 -0.99 2.08 0.10 0.23 0.00 0.00 176.35 178.37 2ron h TYR 173 N 1.85 0.00 -3.16 0.29 -0.00 -1.99 -3.37 116.97 110.60 2ron h TYR 173 Ca -0.32 0.00 -0.74 0.00 0.00 0.00 0.00 58.73 57.67 2ron h TYR 173 Cb 1.26 0.00 -0.22 0.00 0.00 0.00 0.00 36.73 37.77 2ron h TYR 173 CO 1.64 0.00 0.18 0.16 -0.00 0.00 0.00 178.16 180.14 2ron s ASP 174 N -5.56 6.46 -0.06 0.10 -4.77 -1.26 -4.77 116.67 106.82 2ron s ASP 174 Ca -0.00 -2.03 0.08 0.00 -3.30 0.00 0.00 52.55 47.30 2ron s ASP 174 Cb 0.10 -2.27 0.13 0.00 -1.09 0.00 0.00 42.92 39.78 2ron s ASP 174 CO 0.51 -0.88 1.01 0.00 0.70 0.00 0.00 175.17 176.51 2ron n LEU 175 N 5.40 1.33 -4.88 2.11 -0.00 -1.26 -5.08 117.00 114.63 2ron n LEU 175 Ca 0.04 -1.96 -0.30 0.00 -0.00 0.00 0.00 56.01 53.79 2ron n LEU 175 Cb 0.45 -0.19 0.06 0.00 -0.00 0.00 0.00 43.42 43.74 2ron n LEU 175 CO 0.48 0.46 0.76 0.00 -0.00 0.00 0.00 177.39 179.09 2ron s ALA 176 N -1.41 2.77 -1.10 1.47 0.00 -1.26 -4.37 121.76 117.86 2ron s ALA 176 Ca 0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 2ron s ALA 176 Cb 0.12 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2ron s ALA 176 CO 0.01 -1.31 0.90 1.04 0.00 0.00 0.00 175.76 176.40 2ron n GLN 177 N -3.12 -2.86 -3.79 0.00 3.00 -1.12 -4.98 117.38 104.51 2ron n GLN 177 Ca 0.07 0.79 -0.15 0.00 -0.01 0.00 0.00 57.00 57.70 2ron n GLN 177 Cb 0.58 -5.53 -0.16 0.00 0.00 0.00 0.00 30.24 25.13 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2ron s ILE 178 N -3.42 -0.04 -0.29 5.09 1.01 -1.26 -5.06 121.20 117.24 2ron s ILE 178 Ca 0.37 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 2ron s ILE 178 Cb -0.07 -0.09 0.14 0.00 0.01 0.00 0.00 42.46 42.45 2ron s ILE 178 CO 0.76 0.09 0.94 0.00 0.00 0.00 0.00 174.94 176.74 2ron s GLN 179 N 1.04 0.40 0.03 2.79 -2.07 -1.26 -3.00 119.66 117.59 2ron s GLN 179 Ca -0.09 0.73 0.00 0.00 -1.82 0.00 0.00 55.36 54.18 2ron s GLN 179 Cb -0.13 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 2ron s GLN 179 CO -0.03 -0.09 0.00 0.43 -1.32 0.00 0.00 175.29 174.28 2ron n SER 180 N 3.91 -0.24 -2.70 12.60 7.64 -1.26 -4.74 113.62 128.83 2ron n SER 180 Ca -0.18 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ron n SER 180 Cb 0.57 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 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 -2.75 -0.64 -4.46 1.43 -0.04 -1.26 -3.95 135.00 123.33 2ron n PRO 181 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2ron n PRO 181 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 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 -0.81 2.46 -0.04 0.52 1.01 -1.25 -2.84 120.40 119.45 2ron s VAL 182 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2ron s VAL 182 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.38 2ron s VAL 182 CO 0.00 0.52 0.07 -1.00 0.00 0.00 0.00 175.10 174.69 2ron s HIS 183 N 0.93 0.02 -0.17 5.22 3.76 -0.92 -2.02 115.29 122.12 2ron s HIS 183 Ca -0.03 0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 55.16 2ron s HIS 183 Cb -0.15 -0.41 -0.00 0.00 1.11 0.00 0.00 32.58 33.13 2ron s HIS 183 CO -0.03 -0.18 -0.13 0.08 -0.85 0.00 0.00 174.74 173.63 2ron s VAL 184 N 1.99 2.85 -0.17 -0.90 1.01 -1.19 -3.67 120.40 120.32 2ron s VAL 184 Ca 0.02 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2ron s VAL 184 Cb -0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2ron s VAL 184 CO -0.03 0.50 0.10 -0.36 0.00 0.00 0.00 175.10 175.30 2ron s PHE 185 N 0.93 3.37 0.01 5.22 0.08 0.11 -2.40 117.98 125.29 2ron s PHE 185 Ca -0.03 0.27 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 2ron s PHE 185 Cb -0.15 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2ron s PHE 185 CO -0.01 0.34 0.24 1.21 -0.10 0.00 0.00 175.22 176.90 2ron s ASN 186 N 0.01 -0.09 0.00 1.36 2.47 -1.23 -2.36 114.94 115.11 2ron s ASN 186 Ca 0.08 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.26 2ron s ASN 186 Cb -0.12 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.96 2ron s ASN 186 CO 0.00 -0.46 0.00 0.61 -3.72 0.00 0.00 177.10 173.53 2ron n GLY 187 N 1.16 0.16 4.52 1.21 0.00 -0.80 -4.32 105.19 107.12 2ron n GLY 187 Ca -0.21 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 0.17 0.99 -0.00 -1.23 -3.26 117.00 112.78 2ron n LEU 188 Ca 0.00 -1.24 0.12 0.00 -0.00 0.00 0.00 56.01 54.90 2ron n LEU 188 Cb 0.00 -1.63 0.60 0.00 -0.00 0.00 0.00 43.42 42.39 2ron n LEU 188 CO 0.00 0.12 0.87 -2.24 -0.00 0.00 0.00 177.39 176.14 2ron h ASP 189 N -0.93 0.00 0.00 1.45 3.04 -1.90 -3.25 116.42 114.83 2ron h ASP 189 Ca -0.60 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.19 2ron h ASP 189 Cb 1.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.68 2ron h ASP 189 CO 0.89 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 178.56 2ron n ASP 190 N -2.34 0.00 -4.88 4.15 9.92 -1.26 0.08 116.55 122.22 2ron n ASP 190 Ca -0.00 0.34 -0.21 0.00 -0.53 0.00 0.00 54.79 54.39 2ron n ASP 190 Cb 0.11 -0.38 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ron s LYS 191 N -0.77 2.87 0.02 -1.24 2.20 -1.23 -2.75 119.74 118.85 2ron s LYS 191 Ca 0.00 -1.17 -0.01 0.00 -0.36 0.00 0.00 55.97 54.42 2ron s LYS 191 Cb 0.00 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2ron s LYS 191 CO 0.00 0.15 -0.03 1.17 -0.36 0.00 0.00 175.35 176.28 2ron n LYS 192 N -1.40 0.05 0.22 4.03 4.81 -1.26 -4.67 118.16 119.93 2ron n LYS 192 Ca -0.03 0.02 0.18 0.00 -0.87 0.00 0.00 58.31 57.61 2ron n LYS 192 Cb 0.59 -0.58 0.81 0.00 0.02 0.00 0.00 35.03 35.87 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 0.87 0.00 0.00 2.10 -1.99 -1.52 117.51 116.97 2ron h ILE 194 Ca 0.09 -0.19 -0.20 0.00 1.08 0.00 0.00 64.86 65.65 2ron h ILE 194 Cb 0.76 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 36.77 2ron h ILE 194 CO -0.00 0.10 -0.88 0.08 -1.08 0.00 0.00 178.15 176.36 2ron h ARG 195 N 0.54 0.20 -0.67 2.19 -0.00 -1.52 -1.67 114.38 113.45 2ron h ARG 195 Ca 0.30 -0.22 0.04 0.00 -0.00 0.00 0.00 59.98 60.10 2ron h ARG 195 Cb 0.28 0.06 -0.05 0.00 -0.00 0.00 0.00 29.97 30.27 2ron h ARG 195 CO -0.24 0.96 0.40 0.22 -0.00 0.00 0.00 179.97 181.31 2ron h ASP 196 N 0.11 0.63 0.08 0.08 3.58 -1.25 1.53 116.42 121.19 2ron h ASP 196 Ca -0.04 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 2ron h ASP 196 Cb 1.52 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.46 2ron h ASP 196 CO 0.13 0.43 -0.60 0.00 -2.88 0.00 0.00 179.24 176.33 2ron h ALA 197 N 1.31 -0.02 0.00 -0.78 0.00 -1.35 -1.62 119.26 116.81 2ron h ALA 197 Ca 0.28 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ron h ALA 197 Cb 0.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ron h ALA 197 CO -0.14 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.80 2ron n GLU 198 N -4.30 0.92 -0.03 0.00 4.71 -0.63 -1.50 120.64 119.81 2ron n GLU 198 Ca -0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 56.97 2ron n GLU 198 Cb 0.70 -1.42 -0.05 0.00 -1.01 0.00 0.00 31.44 29.67 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ron n GLY 199 N 0.77 -0.26 0.11 0.62 0.00 0.52 -4.63 105.19 102.32 2ron n GLY 199 Ca 0.18 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2ron n GLY 199 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2ron n TRP 200 N -2.35 0.00 -0.08 1.61 5.03 -0.61 -4.22 117.44 116.82 2ron n TRP 200 Ca -0.11 0.00 0.25 0.00 3.03 0.00 0.00 57.50 60.67 2ron n TRP 200 Cb 0.69 -0.04 0.72 0.00 -1.03 0.00 0.00 31.31 31.65 2ron n TRP 200 CO 0.00 0.00 0.00 1.57 -0.03 0.00 0.00 177.69 179.23 2ron h LYS 201 N 0.54 0.00 0.00 -0.99 5.09 -1.47 0.14 116.57 119.88 2ron h LYS 201 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2ron h LYS 201 Cb 0.55 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.88 2ron h LYS 201 CO 0.00 0.00 -1.22 0.36 -2.09 0.00 0.00 179.45 176.50 2ron n LYS 202 N -4.07 1.27 -1.86 0.07 2.85 -1.26 -4.87 118.16 110.28 2ron n LYS 202 Ca 0.14 -0.07 -0.17 0.00 -1.05 0.00 0.00 58.31 57.17 2ron n LYS 202 Cb 0.84 -1.27 -0.05 0.00 -0.65 0.00 0.00 35.03 33.90 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 -1.70 -0.62 -3.23 5.58 5.03 0.48 -2.81 117.44 120.16 2ron n TRP 203 Ca -0.00 0.00 -0.39 0.00 3.03 0.00 0.00 57.50 60.14 2ron n TRP 203 Cb 0.31 -3.13 -0.06 0.00 -1.03 0.00 0.00 31.31 27.41 2ron n TRP 203 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2ron s ALA 204 N -2.58 3.49 -0.41 6.99 0.00 -1.26 -4.60 121.76 123.40 2ron s ALA 204 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2ron s ALA 204 Cb 0.00 -2.72 0.13 0.00 0.00 0.00 0.00 23.12 20.53 2ron s ALA 204 CO 0.00 0.15 0.21 0.15 0.00 0.00 0.00 175.76 176.26 2ron s LYS 205 N -0.06 1.14 0.97 0.00 3.01 -1.16 -4.96 119.74 118.68 2ron s LYS 205 Ca 0.30 -1.79 -0.14 0.00 -1.01 0.00 0.00 55.97 53.33 2ron s LYS 205 Cb -0.18 -2.23 0.03 0.00 -1.01 0.00 0.00 37.83 34.44 2ron s LYS 205 CO 0.16 -1.13 0.30 -0.40 0.51 0.00 0.00 175.35 174.79 2ron n ASP 206 N 3.83 -2.31 -0.11 2.83 5.75 -1.26 -4.64 116.55 120.64 2ron n ASP 206 Ca 0.07 0.27 0.27 0.00 -0.01 0.00 0.00 54.79 55.38 2ron n ASP 206 Cb 0.36 -1.16 0.72 0.00 -1.03 0.00 0.00 41.12 40.01 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2ron h ILE 207 N -1.59 0.46 -2.71 2.12 6.09 -1.65 -3.27 117.51 116.97 2ron h ILE 207 Ca -0.45 0.00 -0.58 0.00 -1.37 0.00 0.00 64.86 62.47 2ron h ILE 207 Cb 1.29 0.54 -0.39 0.00 0.47 0.00 0.00 36.82 38.73 2ron h ILE 207 CO 0.34 0.00 -0.82 -0.89 -3.07 0.00 0.00 178.15 173.71 2ron s THR 208 N -4.83 0.34 -0.01 2.19 2.01 -1.24 -5.06 115.64 109.03 2ron s THR 208 Ca -0.05 -1.67 0.05 0.00 0.31 0.00 0.00 61.69 60.33 2ron s THR 208 Cb 0.19 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2ron s THR 208 CO 0.69 -0.92 -0.16 0.72 -0.69 0.00 0.00 174.62 174.26 2ron s PHE 209 N 1.15 2.63 -0.16 4.92 -0.71 -1.23 -2.17 117.98 122.42 2ron s PHE 209 Ca 0.16 -0.21 -0.07 0.00 -1.04 0.00 0.00 56.93 55.77 2ron s PHE 209 Cb -0.22 -1.55 0.06 0.00 -1.21 0.00 0.00 43.02 40.11 2ron s PHE 209 CO -0.06 0.21 0.35 -1.58 -1.34 0.00 0.00 175.22 172.80 2ron s HIS 210 N -0.83 -0.56 -0.08 3.49 2.46 -1.24 -5.02 115.29 113.51 2ron s HIS 210 Ca 0.13 1.18 0.03 0.00 0.47 0.00 0.00 55.06 56.87 2ron s HIS 210 Cb -0.11 0.17 -0.02 0.00 -0.13 0.00 0.00 32.58 32.50 2ron s HIS 210 CO 0.03 -0.36 -0.17 -0.65 -2.47 0.00 0.00 174.74 171.12 2ron s GLN 211 N 1.85 2.86 -0.18 2.88 -0.21 -1.25 0.04 119.66 125.66 2ron s GLN 211 Ca -0.06 -0.76 -0.05 0.00 0.02 0.00 0.00 55.36 54.51 2ron s GLN 211 Cb -0.10 -2.40 0.06 0.00 1.00 0.00 0.00 33.01 31.57 2ron s GLN 211 CO -0.11 0.39 0.09 0.12 -2.12 0.00 0.00 175.29 173.65 2ron s PHE 212 N -0.13 0.23 0.05 0.91 5.36 -0.99 -4.95 117.98 118.46 2ron s PHE 212 Ca -0.03 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.62 2ron s PHE 212 Cb -0.14 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.79 2ron s PHE 212 CO 0.04 -0.53 0.00 0.16 -1.46 0.00 0.00 175.22 173.43 2ron s ASP 213 N 2.13 5.08 0.00 6.13 1.47 -1.26 -1.90 116.67 128.31 2ron s ASP 213 Ca 0.02 -0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.66 2ron s ASP 213 Cb -0.16 -1.27 0.00 0.00 -0.34 0.00 0.00 42.92 41.15 2ron s ASP 213 CO -0.10 0.23 0.00 0.61 0.68 0.00 0.00 175.17 176.58 2ron n GLY 214 N 0.96 -0.20 0.00 2.12 0.00 -1.20 -4.76 105.19 102.11 2ron n GLY 214 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.97 0.24 0.00 -0.02 0.00 -0.13 -4.87 105.19 102.38 2ron n GLY 215 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2ron n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 216 N 0.00 0.00 -0.77 1.61 8.25 0.11 -4.30 115.22 120.13 2ron n HIS 216 Ca 0.00 -0.18 -0.33 0.00 -0.26 0.00 0.00 57.72 56.95 2ron n HIS 216 Cb 0.00 -0.02 0.13 0.00 1.12 0.00 0.00 29.99 31.23 2ron n HIS 216 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2ron n MET 217 N -0.18 -0.69 -0.17 -0.41 0.00 -1.11 -4.23 117.12 110.33 2ron n MET 217 Ca 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 57.70 57.80 2ron n MET 217 Cb 0.37 -1.76 0.70 0.00 0.00 0.00 0.00 33.22 32.53 2ron n MET 217 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 2ron h PHE 218 N -1.70 0.06 0.00 1.12 0.04 -1.93 0.22 116.94 114.76 2ron h PHE 218 Ca -0.47 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 59.89 2ron h PHE 218 Cb 1.31 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.37 2ron h PHE 218 CO 0.30 0.01 -2.45 1.28 -0.60 0.00 0.00 178.31 176.85 2ron n LEU 219 N -4.30 2.45 -0.25 1.54 7.99 -1.26 -3.88 117.00 119.29 2ron n LEU 219 Ca 0.18 0.12 0.11 0.00 -0.01 0.00 0.00 56.01 56.41 2ron n LEU 219 Cb 0.91 -0.88 0.38 0.00 -0.11 0.00 0.00 43.42 43.72 2ron n LEU 219 CO 0.38 0.74 1.22 -0.07 -1.51 0.00 0.00 177.39 178.15 2ron h LEU 220 N -0.50 0.65 -0.22 2.23 3.38 -1.76 -0.54 115.31 118.55 2ron h LEU 220 Ca -0.63 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.18 2ron h LEU 220 Cb 1.75 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.41 2ron h LEU 220 CO -0.25 0.34 -0.65 0.28 0.09 0.00 0.00 178.44 178.25 2ron h SER 221 N 0.69 0.95 0.75 -0.43 0.02 -0.75 -3.32 113.55 111.47 2ron h SER 221 Ca 0.43 -0.58 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 2ron h SER 221 Cb 0.66 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.93 2ron h SER 221 CO -0.19 1.37 -0.36 1.56 -1.14 0.00 0.00 176.83 178.07 2ron h GLN 222 N 0.58 -0.97 -6.07 3.45 1.08 -1.32 -3.37 115.11 108.49 2ron h GLN 222 Ca -0.02 0.07 -0.51 0.00 -1.45 0.00 0.00 58.65 56.73 2ron h GLN 222 Cb 1.28 0.22 -0.08 0.00 -0.05 0.00 0.00 27.48 28.85 2ron h GLN 222 CO 0.14 -0.63 1.24 0.99 -0.95 0.00 0.00 178.83 179.62 2ron s THR 223 N -5.60 3.73 0.43 -0.54 2.01 -0.34 -4.81 115.64 110.52 2ron s THR 223 Ca -0.17 -0.34 0.23 0.00 0.31 0.00 0.00 61.69 61.72 2ron s THR 223 Cb 0.02 -4.71 0.26 0.00 0.01 0.00 0.00 72.50 68.08 2ron s THR 223 CO 0.56 -1.63 2.05 1.05 -0.69 0.00 0.00 174.62 175.97 2ron h GLU 224 N 10.62 0.00 0.54 4.92 4.11 -1.78 -3.11 114.58 129.88 2ron h GLU 224 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2ron h GLU 224 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2ron h GLU 224 CO 1.33 0.14 -0.38 1.49 0.07 0.00 0.00 179.01 181.66 2ron h GLU 225 N 0.00 -0.85 -0.84 1.06 4.57 -1.92 -1.93 114.58 114.67 2ron h GLU 225 Ca -0.00 0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.38 2ron h GLU 225 Cb 0.33 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.02 2ron h GLU 225 CO 0.02 -0.57 0.43 0.28 -1.18 0.00 0.00 179.01 177.99 2ron h VAL 226 N -0.88 0.72 0.14 0.32 2.07 -1.90 -1.41 116.25 115.31 2ron h VAL 226 Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2ron h VAL 226 Cb 0.72 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2ron h VAL 226 CO 0.04 0.11 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 2ron h ALA 227 N 1.56 -0.87 -0.78 1.67 0.00 -1.44 -0.27 119.26 119.13 2ron h ALA 227 Ca 0.46 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.46 2ron h ALA 227 Cb 0.65 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2ron h ALA 227 CO -0.37 -0.93 0.53 1.49 0.00 0.00 0.00 179.25 179.97 2ron h GLU 228 N -0.49 0.36 0.03 0.00 4.57 -1.01 -1.32 114.58 116.72 2ron h GLU 228 Ca -0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2ron h GLU 228 Cb 0.46 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2ron h GLU 228 CO -0.13 0.24 -0.01 -0.09 -1.18 0.00 0.00 179.01 177.84 2ron h ARG 229 N 0.37 -0.04 0.22 1.92 9.65 -0.34 -0.24 114.38 125.92 2ron h ARG 229 Ca 0.39 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.26 2ron h ARG 229 Cb 0.98 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2ron h ARG 229 CO -0.12 0.06 -0.11 0.82 2.80 0.00 0.00 179.97 183.42 2ron h ILE 230 N -0.12 0.79 -0.46 1.20 1.08 0.03 -2.50 117.51 117.52 2ron h ILE 230 Ca -0.00 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 2ron h ILE 230 Cb 0.11 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2ron h ILE 230 CO 0.01 0.00 0.14 0.15 -0.69 0.00 0.00 178.15 177.76 2ron h PHE 231 N -0.30 0.24 0.08 1.37 3.04 -1.34 0.26 116.94 120.30 2ron h PHE 231 Ca -0.03 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2ron h PHE 231 Cb 0.23 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 2ron h PHE 231 CO -0.06 0.07 -0.50 0.00 -2.02 0.00 0.00 178.31 175.79 2ron h ALA 232 N 1.32 -0.96 0.00 2.41 0.00 -0.85 0.22 119.26 121.40 2ron h ALA 232 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2ron h ALA 232 Cb 0.25 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ron h ALA 232 CO -0.25 -1.09 -0.17 0.97 0.00 0.00 0.00 179.25 178.71 2ron h ILE 233 N -0.69 0.98 -0.01 0.00 6.09 -1.22 0.28 117.51 122.94 2ron h ILE 233 Ca -0.00 -0.60 -0.07 0.00 -1.37 0.00 0.00 64.86 62.82 2ron h ILE 233 Cb 0.71 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2ron h ILE 233 CO -0.29 0.16 -0.32 -0.07 -3.07 0.00 0.00 178.15 174.57 2ron h LEU 234 N 0.00 0.02 0.00 2.19 3.38 0.78 0.37 115.31 122.05 2ron h LEU 234 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ron h LEU 234 Cb 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ron h LEU 234 CO 0.02 0.33 -1.16 -3.20 0.09 0.00 0.00 178.44 174.52 2ron n ASN 235 N -4.16 0.81 -0.73 -0.43 5.15 -0.06 -4.26 115.26 111.59 2ron n ASN 235 Ca -0.02 -0.66 0.07 0.00 -0.60 0.00 0.00 54.58 53.37 2ron n ASN 235 Cb 0.36 1.26 0.15 0.00 -0.53 0.00 0.00 39.78 41.02 2ron n ASN 235 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ron n GLN 236 N -1.65 2.27 0.03 1.20 1.13 0.92 -4.66 117.38 116.62 2ron n GLN 236 Ca 0.01 -1.93 -0.14 0.00 -1.94 0.00 0.00 57.00 53.00 2ron n GLN 236 Cb 0.35 -1.31 -0.08 0.00 0.11 0.00 0.00 30.24 29.30 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2ron h HIS 237 N 2.58 -1.39 -0.29 1.08 -0.00 -0.44 -2.59 115.15 114.11 2ron h HIS 237 Ca 0.00 0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 2ron h HIS 237 Cb 0.73 0.61 -0.01 0.00 -0.00 0.00 0.00 27.41 28.74 2ron h HIS 237 CO 0.20 -0.53 -0.41 -1.00 -0.00 0.00 0.00 177.93 176.20 2ron h PRO 238 N -0.59 0.70 -6.66 5.26 0.13 -1.85 -3.44 132.00 125.55 2ron h PRO 238 Ca 0.04 -0.37 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 2ron h PRO 238 Cb 0.68 0.01 0.04 0.00 0.13 0.00 0.00 31.00 31.86 2ron h PRO 238 CO -0.38 0.98 0.71 0.42 -0.23 0.00 0.00 178.00 179.50 2ron s ILE 239 N -4.28 3.08 0.12 -3.56 1.01 -0.98 -5.03 121.20 111.57 2ron s ILE 239 Ca -0.09 0.85 0.10 0.00 0.00 0.00 0.00 60.65 61.51 2ron s ILE 239 Cb 0.12 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2ron s ILE 239 CO 0.85 0.11 -0.20 -0.51 0.00 0.00 0.00 174.94 175.19 2ron s ILE 240 N 0.38 2.70 0.09 2.92 2.07 -1.26 -4.88 121.20 123.21 2ron s ILE 240 Ca 0.60 -1.59 -0.18 0.00 -1.41 0.00 0.00 60.65 58.07 2ron s ILE 240 Cb -0.38 -2.24 0.04 0.00 0.13 0.00 0.00 42.46 40.01 2ron s ILE 240 CO 0.37 0.08 0.43 0.00 -1.91 0.00 0.00 174.94 173.91 2ron s GLN 241 N -2.17 1.02 0.00 3.50 -2.07 -1.26 -5.22 119.66 113.47 2ron s GLN 241 Ca 0.17 -0.52 0.16 0.00 -1.82 0.00 0.00 55.36 53.35 2ron s GLN 241 Cb -0.10 0.46 0.93 0.00 -1.09 0.00 0.00 33.01 33.20 2ron s GLN 241 CO 0.09 -0.38 1.34 -0.35 -1.32 0.00 0.00 175.29 174.67