#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ron s SER 2 N 0.00 -0.39 0.35 7.83 0.01 -1.20 -4.89 113.70 115.42 2ron s SER 2 Ca 0.00 0.12 0.09 0.00 1.31 0.00 0.00 55.95 57.46 2ron s SER 2 Cb 0.00 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.56 2ron s SER 2 CO 0.00 -0.57 0.05 -1.58 0.41 0.00 0.00 173.24 171.55 2ron s GLN 3 N -2.64 2.13 -0.29 12.44 2.00 -1.23 -4.05 119.66 128.02 2ron s GLN 3 Ca 0.03 -1.76 -0.17 0.00 -2.00 0.00 0.00 55.36 51.46 2ron s GLN 3 Cb -0.01 -1.95 0.14 0.00 0.80 0.00 0.00 33.01 31.99 2ron s GLN 3 CO -0.06 0.08 0.94 -0.48 -0.50 0.00 0.00 175.29 175.28 2ron s LEU 4 N -3.76 -0.56 0.10 3.68 2.34 -1.26 -1.77 118.68 117.45 2ron s LEU 4 Ca 0.36 0.91 -0.30 0.00 0.06 0.00 0.00 54.13 55.15 2ron s LEU 4 Cb 0.01 1.83 -0.07 0.00 -0.56 0.00 0.00 46.19 47.41 2ron s LEU 4 CO 0.20 -0.14 1.21 0.12 -1.06 0.00 0.00 176.35 176.67 2ron s PHE 5 N 1.31 3.43 -0.04 3.48 5.36 0.34 -4.87 117.98 126.99 2ron s PHE 5 Ca -0.08 1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 57.20 2ron s PHE 5 Cb -0.04 -3.43 0.03 0.00 -0.34 0.00 0.00 43.02 39.24 2ron s PHE 5 CO -0.15 -1.30 0.08 -1.59 -1.46 0.00 0.00 175.22 170.80 2ron s LYS 6 N 0.66 0.01 -0.25 10.12 -2.85 -1.26 -1.45 119.74 124.72 2ron s LYS 6 Ca 0.57 0.28 -0.05 0.00 -1.00 0.00 0.00 55.97 55.77 2ron s LYS 6 Cb -0.31 -0.24 0.13 0.00 -2.06 0.00 0.00 37.83 35.35 2ron s LYS 6 CO 0.31 -0.18 0.48 -1.12 0.10 0.00 0.00 175.35 174.94 2ron s SER 7 N 1.20 -0.48 0.34 0.03 0.01 -0.61 -5.02 113.70 109.17 2ron s SER 7 Ca -0.08 0.86 0.08 0.00 1.31 0.00 0.00 55.95 58.12 2ron s SER 7 Cb -0.12 1.60 -0.04 0.00 0.21 0.00 0.00 66.02 67.67 2ron s SER 7 CO -0.04 -0.25 0.19 0.72 0.41 0.00 0.00 173.24 174.26 2ron s PHE 8 N 2.69 2.78 -0.26 2.43 -0.71 -1.26 -0.75 117.98 122.88 2ron s PHE 8 Ca 0.06 -0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 55.58 2ron s PHE 8 Cb -0.14 -1.68 0.15 0.00 -1.21 0.00 0.00 43.02 40.15 2ron s PHE 8 CO -0.16 0.30 0.45 -0.51 -1.34 0.00 0.00 175.22 173.96 2ron s ASP 9 N -3.89 -0.31 -1.67 1.98 1.01 -1.26 -4.88 116.67 107.65 2ron s ASP 9 Ca 0.39 0.40 0.00 0.00 0.71 0.00 0.00 52.55 54.04 2ron s ASP 9 Cb -0.04 1.47 0.00 0.00 1.01 0.00 0.00 42.92 45.36 2ron s ASP 9 CO 0.24 -0.29 0.00 0.00 0.21 0.00 0.00 175.17 175.33 2ron n ALA 10 N 5.39 -0.24 -3.91 5.23 0.00 -1.26 -3.25 120.51 122.46 2ron n ALA 10 Ca -0.02 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2ron n ALA 10 Cb 0.50 -1.70 0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.65 -4.65 -0.01 0.00 3.41 -1.26 -4.93 113.62 105.53 2ron n SER 11 Ca -0.16 -1.18 -0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2ron n SER 11 Cb 0.53 -2.37 -0.00 0.00 -0.26 0.00 0.00 64.21 62.11 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 -2.33 -0.00 -2.78 4.33 4.57 -1.78 -3.47 114.58 113.12 2ron h GLU 12 Ca -0.69 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.36 2ron h GLU 12 Cb 1.39 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.74 2ron h GLU 12 CO 0.50 -0.00 -0.24 0.15 -1.18 0.00 0.00 179.01 178.24 2ron s LYS 13 N -1.09 0.49 -0.19 1.92 1.02 -1.26 -4.78 119.74 115.85 2ron s LYS 13 Ca -0.00 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 56.37 2ron s LYS 13 Cb 0.00 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.50 2ron s LYS 13 CO 0.00 -0.07 0.17 0.99 -0.92 0.00 0.00 175.35 175.52 2ron s THR 14 N 0.07 5.39 -0.34 2.17 2.01 -1.23 0.09 115.64 123.80 2ron s THR 14 Ca -0.01 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 2ron s THR 14 Cb -0.03 -3.50 0.11 0.00 0.01 0.00 0.00 72.50 69.09 2ron s THR 14 CO 0.01 0.44 0.14 0.00 -0.69 0.00 0.00 174.62 174.52 2ron s GLN 15 N 0.33 0.75 -0.91 4.92 -2.07 -1.12 -1.52 119.66 120.03 2ron s GLN 15 Ca 0.10 -1.22 -0.19 0.00 -1.82 0.00 0.00 55.36 52.22 2ron s GLN 15 Cb -0.11 -1.89 0.12 0.00 -1.09 0.00 0.00 33.01 30.04 2ron s GLN 15 CO -0.01 -1.05 1.13 -1.17 -1.32 0.00 0.00 175.29 172.88 2ron s LEU 16 N 1.36 4.89 0.54 2.60 0.20 0.69 -2.24 118.68 126.72 2ron s LEU 16 Ca 0.12 -1.91 0.05 0.00 0.69 0.00 0.00 54.13 53.08 2ron s LEU 16 Cb -0.19 -2.41 0.03 0.00 -0.43 0.00 0.00 46.19 43.18 2ron s LEU 16 CO -0.19 -1.13 0.32 0.27 -0.29 0.00 0.00 176.35 175.33 2ron s ILE 17 N 2.96 1.55 -0.30 6.68 -4.36 0.10 -2.05 121.20 125.79 2ron s ILE 17 Ca 0.32 -1.60 -0.11 0.00 -0.26 0.00 0.00 60.65 59.00 2ron s ILE 17 Cb -0.06 -2.15 0.14 0.00 1.25 0.00 0.00 42.46 41.65 2ron s ILE 17 CO -0.08 0.00 0.76 0.00 0.24 0.00 0.00 174.94 175.86 2ron n PHE 19 N 5.30 -1.97 -2.04 0.00 3.72 -1.26 -4.81 117.46 116.39 2ron n PHE 19 Ca -0.11 0.56 -0.28 0.00 -0.05 0.00 0.00 57.45 57.57 2ron n PHE 19 Cb 0.50 -3.63 -0.05 0.00 -0.94 0.00 0.00 39.48 35.36 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 -5.78 2.55 0.25 -1.08 0.04 -1.26 -4.94 135.00 124.77 2ron s PRO 20 Ca 0.41 -0.21 -0.31 0.00 0.04 0.00 0.00 61.00 60.93 2ron s PRO 20 Cb -0.13 -5.01 -0.12 0.00 0.04 0.00 0.00 34.50 29.28 2ron s PRO 20 CO 0.84 -3.33 1.58 1.97 0.04 0.00 0.00 177.00 178.10 2ron n PHE 21 N 13.91 2.61 0.02 0.56 -1.74 -1.26 -4.93 117.46 126.63 2ron n PHE 21 Ca 0.39 0.25 -0.03 0.00 -0.56 0.00 0.00 57.45 57.49 2ron n PHE 21 Cb 0.47 -2.58 -0.02 0.00 1.52 0.00 0.00 39.48 38.88 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 5.26 -0.62 -0.30 1.98 0.00 -1.96 -3.39 119.26 120.23 2ron h ALA 22 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ron h ALA 22 Cb 1.23 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2ron h ALA 22 CO 0.83 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2ron n GLY 23 N -1.08 2.55 0.00 0.00 0.00 -1.26 -2.32 105.19 103.08 2ron n GLY 23 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.24 -0.02 0.00 -1.26 -4.67 105.19 99.48 2ron n GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.38 -0.01 1.61 -0.00 -1.88 0.11 116.97 117.18 2ron h TYR 25 Ca 0.00 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.73 58.55 2ron h TYR 25 Cb 0.61 -0.10 -0.02 0.00 -0.00 0.00 0.00 36.73 37.22 2ron h TYR 25 CO 0.00 0.50 -0.57 1.03 -0.00 0.00 0.00 178.16 179.12 2ron h SER 26 N 0.33 0.04 1.17 0.10 0.87 -1.66 0.20 113.55 114.60 2ron h SER 26 Ca 0.06 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2ron h SER 26 Cb 0.47 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2ron h SER 26 CO 0.03 0.60 -0.87 0.00 -0.53 0.00 0.00 176.83 176.06 2ron h ALA 27 N 1.40 0.66 0.13 6.23 0.00 -1.54 -2.66 119.26 123.48 2ron h ALA 27 Ca -0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 54.91 54.20 2ron h ALA 27 Cb 1.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2ron h ALA 27 CO 0.08 0.43 -1.79 0.77 0.00 0.00 0.00 179.25 178.74 2ron h SER 28 N 0.00 0.41 -0.06 0.00 0.02 -0.84 -3.37 113.55 109.72 2ron h SER 28 Ca -0.05 -0.89 -0.23 0.00 -0.84 0.00 0.00 61.79 59.77 2ron h SER 28 Cb 1.27 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.69 2ron h SER 28 CO 0.03 1.78 -0.85 0.15 -1.14 0.00 0.00 176.83 176.80 2ron h PHE 29 N -0.08 1.01 -0.69 3.45 3.04 -0.75 -2.89 116.94 120.02 2ron h PHE 29 Ca -0.38 -0.48 0.07 0.00 3.98 0.00 0.00 57.97 61.16 2ron h PHE 29 Cb 1.94 -0.14 -0.10 0.00 2.56 0.00 0.00 35.95 40.20 2ron h PHE 29 CO 0.09 1.30 -0.56 -0.09 -2.02 0.00 0.00 178.31 177.04 2ron h ARG 30 N 0.47 -0.20 0.00 1.11 2.43 -1.64 0.23 114.38 116.79 2ron h ARG 30 Ca -0.07 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2ron h ARG 30 Cb 1.48 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 2ron h ARG 30 CO 0.17 -0.13 -0.41 -1.00 -1.51 0.00 0.00 179.97 177.09 2ron h PRO 31 N -0.20 0.00 0.10 0.20 0.13 -1.73 -0.16 132.00 130.34 2ron h PRO 31 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ron h PRO 31 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2ron h PRO 31 CO -0.76 0.41 -0.05 1.25 -0.23 0.00 0.00 178.00 178.62 2ron h LEU 32 N 0.00 -0.11 -0.01 1.56 7.12 -0.62 -1.07 115.31 122.18 2ron h LEU 32 Ca -0.00 -0.19 -0.07 0.00 0.13 0.00 0.00 57.88 57.75 2ron h LEU 32 Cb 0.80 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 2ron h LEU 32 CO 0.05 0.12 -0.33 1.12 -0.13 0.00 0.00 178.44 179.28 2ron h HIS 33 N -0.35 0.00 0.00 1.25 2.07 -0.67 -1.25 115.15 116.20 2ron h HIS 33 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2ron h HIS 33 Cb 0.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.27 2ron h HIS 33 CO -0.00 0.33 -0.01 0.00 -3.07 0.00 0.00 177.93 175.18 2ron h ALA 34 N 1.67 1.00 0.00 6.11 0.00 -0.92 0.31 119.26 127.43 2ron h ALA 34 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2ron h ALA 34 Cb 1.25 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2ron h ALA 34 CO 0.04 0.01 -2.26 0.34 0.00 0.00 0.00 179.25 177.38 2ron n PHE 35 N -3.10 0.00 0.07 0.00 7.35 -0.41 -4.53 117.46 116.84 2ron n PHE 35 Ca 0.02 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.71 2ron n PHE 35 Cb 0.44 -0.85 -0.05 0.00 0.35 0.00 0.00 39.48 39.36 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 0.00 -9.34 -2.13 5.85 -1.31 -3.48 115.31 104.90 2ron h LEU 36 Ca -0.49 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.68 2ron h LEU 36 Cb 1.77 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.67 2ron h LEU 36 CO -0.08 0.65 -0.50 -1.10 -0.34 0.00 0.00 178.44 177.08 2ron s GLN 37 N -2.87 1.92 -0.24 1.25 -0.21 0.11 -5.03 119.66 114.58 2ron s GLN 37 Ca 0.00 -2.17 -0.30 0.00 0.02 0.00 0.00 55.36 52.92 2ron s GLN 37 Cb 0.08 -0.38 0.17 0.00 1.00 0.00 0.00 33.01 33.88 2ron s GLN 37 CO 0.79 -0.54 1.23 0.20 -2.12 0.00 0.00 175.29 174.84 2ron s GLY 38 N -3.57 -0.06 -1.14 3.09 0.00 -1.24 -4.08 107.32 100.32 2ron s GLY 38 Ca 0.27 2.48 -0.13 0.00 0.00 0.00 0.00 44.72 47.34 2ron s GLY 38 CO 0.18 1.05 0.82 1.18 0.00 0.00 0.00 173.10 176.32 2ron n GLU 39 N 0.55 -2.13 -4.22 2.90 1.02 -1.26 -4.95 120.64 112.56 2ron n GLU 39 Ca -0.04 0.61 -0.36 0.00 -0.02 0.00 0.00 57.16 57.36 2ron n GLU 39 Cb 0.58 -4.81 -0.08 0.00 -0.02 0.00 0.00 31.44 27.11 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 2.07 1.13 -2.97 0.00 2.13 0.11 -4.88 120.64 118.24 2ron n GLU 41 Ca -0.19 0.30 -0.41 0.00 0.66 0.00 0.00 57.16 57.53 2ron n GLU 41 Cb 0.54 -2.51 -0.05 0.00 0.27 0.00 0.00 31.44 29.70 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 6.24 4.27 -0.25 5.31 0.23 0.07 -2.80 119.30 132.37 2ron s MET 42 Ca 1.09 0.89 -0.02 0.00 -1.03 0.00 0.00 55.69 56.62 2ron s MET 42 Cb -0.82 -3.57 0.08 0.00 -1.53 0.00 0.00 34.83 28.98 2ron s MET 42 CO 0.48 -0.29 0.07 -1.17 -2.03 0.00 0.00 175.02 172.08 2ron s LEU 43 N 2.03 1.46 -0.08 0.18 2.96 -0.95 -1.58 118.68 122.71 2ron s LEU 43 Ca 0.35 -1.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.14 2ron s LEU 43 Cb -0.16 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 45.87 2ron s LEU 43 CO 0.12 -0.36 -0.20 0.00 -1.32 0.00 0.00 176.35 174.59 2ron s ALA 44 N 1.81 1.86 0.81 5.97 0.00 -0.53 0.03 121.76 131.70 2ron s ALA 44 Ca 0.04 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 2ron s ALA 44 Cb -0.17 -0.70 0.07 0.00 0.00 0.00 0.00 23.12 22.32 2ron s ALA 44 CO -0.17 0.26 1.10 0.00 0.00 0.00 0.00 175.76 176.94 2ron n ALA 45 N 3.49 -0.30 -2.46 0.00 0.00 -0.10 -0.50 120.51 120.65 2ron n ALA 45 Ca -0.20 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 2ron n ALA 45 Cb 0.53 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 2ron n ALA 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ron s GLU 46 N -3.96 0.83 0.95 0.00 0.41 -0.73 -4.63 118.70 111.57 2ron s GLU 46 Ca 0.72 -1.06 -0.12 0.00 -0.41 0.00 0.00 54.97 54.10 2ron s GLU 46 Cb -0.29 0.31 0.16 0.00 -1.78 0.00 0.00 34.13 32.53 2ron s GLU 46 CO 0.52 -0.25 1.09 -1.25 -0.49 0.00 0.00 175.26 174.88 2ron s PRO 47 N -3.89 0.79 0.33 0.39 0.04 -1.26 -3.49 135.00 127.90 2ron s PRO 47 Ca 0.08 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.49 2ron s PRO 47 Cb 0.05 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.73 2ron s PRO 47 CO -0.09 -2.52 1.22 -1.25 0.04 0.00 0.00 177.00 174.40 2ron s PRO 48 N -4.95 4.36 0.00 0.56 0.04 -1.26 -3.97 135.00 129.78 2ron s PRO 48 Ca 0.64 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2ron s PRO 48 Cb -0.18 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2ron s PRO 48 CO 0.57 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2ron n GLY 49 N 0.87 2.81 0.33 0.56 0.00 -1.26 -4.99 105.19 103.50 2ron n GLY 49 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ron n GLY 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2ron h HIS 50 N 0.00 0.86 -3.32 1.61 3.86 -2.01 -3.40 115.15 112.75 2ron h HIS 50 Ca 0.00 -0.02 -0.58 0.00 -1.16 0.00 0.00 60.37 58.61 2ron h HIS 50 Cb 0.00 -0.28 -0.07 0.00 1.06 0.00 0.00 27.41 28.12 2ron h HIS 50 CO 0.00 0.61 0.36 0.20 0.86 0.00 0.00 177.93 179.96 2ron s GLY 51 N -3.51 2.08 -0.02 2.45 0.00 -1.26 -4.89 107.32 102.18 2ron s GLY 51 Ca -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.61 2ron s GLY 51 CO 0.78 1.63 -0.01 2.41 0.00 0.00 0.00 173.10 177.91 2ron n THR 52 N 4.75 0.11 -1.22 0.90 -1.04 -1.26 -4.48 114.28 112.04 2ron n THR 52 Ca 0.04 -0.05 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 2ron n THR 52 Cb 0.49 -0.72 0.23 0.00 -1.82 0.00 0.00 70.33 68.51 2ron n THR 52 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ron n ASN 53 N -2.37 3.41 -3.97 8.00 3.02 -1.26 -3.59 115.26 118.50 2ron n ASN 53 Ca -0.03 -3.43 -0.31 0.00 -0.03 0.00 0.00 54.58 50.79 2ron n ASN 53 Cb 0.54 -0.64 -0.14 0.00 -0.61 0.00 0.00 39.78 38.93 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2ron s GLN 54 N -3.08 1.96 -0.34 3.52 -0.21 -1.26 -4.63 119.66 115.62 2ron s GLN 54 Ca 0.47 -2.52 -0.26 0.00 0.02 0.00 0.00 55.36 53.06 2ron s GLN 54 Cb 0.40 -3.34 0.01 0.00 1.00 0.00 0.00 33.01 31.08 2ron s GLN 54 CO 0.06 -1.09 0.95 0.99 -2.12 0.00 0.00 175.29 174.07 2ron s THR 55 N -0.12 4.60 0.13 -0.19 2.01 -1.26 -2.00 115.64 118.81 2ron s THR 55 Ca 0.16 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.27 2ron s THR 55 Cb -0.25 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 67.92 2ron s THR 55 CO -0.01 -0.46 1.62 0.77 -0.69 0.00 0.00 174.62 175.84 2ron h SER 56 N 8.28 -0.93 -3.96 3.53 4.64 -1.96 -3.45 113.55 119.70 2ron h SER 56 Ca -0.23 0.14 -0.26 0.00 -0.47 0.00 0.00 61.79 60.97 2ron h SER 56 Cb 1.08 0.39 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 2ron h SER 56 CO 0.98 -0.35 -0.34 0.00 -0.87 0.00 0.00 176.83 176.25 2ron n ALA 57 N -2.80 -0.80 -3.18 5.18 0.00 -1.26 -1.64 120.51 116.01 2ron n ALA 57 Ca -0.03 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2ron n ALA 57 Cb 0.32 -1.65 0.07 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.46 -7.51 -0.00 0.00 2.08 -1.26 -4.91 119.36 104.30 2ron n ILE 58 Ca -0.14 -0.98 0.00 0.00 0.56 0.00 0.00 62.75 62.20 2ron n ILE 58 Cb 0.61 -5.76 0.01 0.00 -0.75 0.00 0.00 39.64 33.75 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 -3.36 2.31 -0.18 0.38 1.02 -0.65 -4.74 120.64 115.42 2ron n GLU 59 Ca -0.13 -1.36 -0.01 0.00 -0.02 0.00 0.00 57.16 55.64 2ron n GLU 59 Cb 0.63 -1.02 0.08 0.00 -0.02 0.00 0.00 31.44 31.11 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 0.14 -0.19 0.00 1.62 3.04 -1.92 0.21 116.42 119.32 2ron h ASP 60 Ca 0.00 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 2ron h ASP 60 Cb 0.43 0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 2ron h ASP 60 CO 0.00 -0.07 0.00 -0.11 -2.04 0.00 0.00 179.24 177.02 2ron n LEU 61 N -5.23 0.00 -0.14 0.15 7.94 -1.26 -0.07 117.00 118.39 2ron n LEU 61 Ca 0.07 0.99 0.25 0.00 -1.11 0.00 0.00 56.01 56.21 2ron n LEU 61 Cb 0.31 -0.49 0.68 0.00 0.53 0.00 0.00 43.42 44.45 2ron n LEU 61 CO 0.14 -0.49 1.24 -0.08 -1.11 0.00 0.00 177.39 177.09 2ron h GLU 62 N 0.00 0.06 0.04 1.96 4.81 -1.87 0.13 114.58 119.70 2ron h GLU 62 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ron h GLU 62 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2ron h GLU 62 CO 0.00 0.04 -0.02 1.49 -0.73 0.00 0.00 179.01 179.80 2ron h GLU 63 N 0.07 -0.05 -0.06 1.92 4.57 0.25 -2.06 114.58 119.21 2ron h GLU 63 Ca 0.39 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.60 2ron h GLU 63 Cb 1.44 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.00 2ron h GLU 63 CO -0.03 -0.03 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.51 2ron h LEU 64 N -0.06 -0.55 -1.81 1.64 3.38 -0.20 0.30 115.31 118.00 2ron h LEU 64 Ca -0.00 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.31 2ron h LEU 64 Cb 0.04 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2ron h LEU 64 CO 0.01 -0.24 0.67 0.71 0.09 0.00 0.00 178.44 179.68 2ron h THR 65 N -0.26 0.55 0.14 0.22 1.35 -0.88 0.91 112.91 114.93 2ron h THR 65 Ca 0.08 -0.05 -0.26 0.00 -0.55 0.00 0.00 66.41 65.63 2ron h THR 65 Cb 0.37 0.41 0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2ron h THR 65 CO -0.22 0.02 -1.25 -0.78 -0.25 0.00 0.00 175.52 173.05 2ron h ASP 66 N 0.14 0.46 0.33 5.36 3.58 -0.41 0.21 116.42 126.09 2ron h ASP 66 Ca 0.48 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2ron h ASP 66 Cb 1.65 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2ron h ASP 66 CO -0.08 1.56 0.00 0.18 -2.88 0.00 0.00 179.24 178.02 2ron n LEU 67 N -3.95 0.57 -0.07 2.28 4.77 0.92 0.25 117.00 121.77 2ron n LEU 67 Ca -0.21 0.70 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 2ron n LEU 67 Cb 0.90 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2ron n LEU 67 CO 0.46 -0.75 -0.95 -1.22 -1.33 0.00 0.00 177.39 173.59 2ron n TYR 68 N -2.20 0.00 -0.58 -1.77 4.02 0.15 -4.61 117.16 112.17 2ron n TYR 68 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 2ron n TYR 68 Cb 0.12 -0.49 0.22 0.00 -0.02 0.00 0.00 39.34 39.17 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 -3.38 2.94 -0.32 -0.72 4.76 0.72 -4.53 118.16 117.63 2ron n LYS 69 Ca -0.26 -2.36 0.30 0.00 -2.87 0.00 0.00 58.31 53.13 2ron n LYS 69 Cb 0.71 -1.99 0.65 0.00 -1.84 0.00 0.00 35.03 32.56 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 1.87 0.15 0.00 1.97 3.07 -0.36 -3.14 115.11 118.67 2ron h GLN 70 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.99 2ron h GLN 70 Cb 2.06 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 29.58 2ron h GLN 70 CO 0.62 0.10 -0.58 0.39 0.09 0.00 0.00 178.83 179.46 2ron n GLU 71 N -4.38 0.32 -0.57 0.06 4.71 -1.26 -5.02 120.64 114.49 2ron n GLU 71 Ca 0.26 0.15 -0.31 0.00 -0.01 0.00 0.00 57.16 57.25 2ron n GLU 71 Cb 1.10 -1.08 0.28 0.00 -1.01 0.00 0.00 31.44 30.73 2ron n GLU 71 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2ron n LEU 72 N -3.68 0.00 -3.91 -4.62 7.99 -1.19 -5.06 117.00 106.53 2ron n LEU 72 Ca -0.08 -1.01 -0.17 0.00 -0.01 0.00 0.00 56.01 54.74 2ron n LEU 72 Cb 0.30 -1.01 -0.15 0.00 -0.11 0.00 0.00 43.42 42.44 2ron n LEU 72 CO 0.12 -2.59 -0.40 0.21 -1.51 0.00 0.00 177.39 173.23 2ron s ASN 73 N -3.70 0.63 -0.05 -1.43 3.04 -1.26 -4.80 114.94 107.37 2ron s ASN 73 Ca 0.70 -0.09 -0.29 0.00 0.04 0.00 0.00 52.86 53.22 2ron s ASN 73 Cb -0.10 -0.18 0.10 0.00 -1.54 0.00 0.00 41.25 39.53 2ron s ASN 73 CO 0.56 0.00 0.83 -0.22 -3.04 0.00 0.00 177.10 175.24 2ron s LEU 74 N 0.34 -0.47 0.67 3.21 0.20 -1.26 -5.17 118.68 116.20 2ron s LEU 74 Ca -0.04 0.33 -0.11 0.00 0.69 0.00 0.00 54.13 55.01 2ron s LEU 74 Cb -0.07 2.18 -0.01 0.00 -0.43 0.00 0.00 46.19 47.86 2ron s LEU 74 CO -0.00 -0.56 1.06 -0.13 -0.29 0.00 0.00 176.35 176.42 2ron s ARG 75 N -1.98 3.19 0.00 1.98 3.00 -1.26 -5.07 118.95 118.80 2ron s ARG 75 Ca -0.02 0.72 0.00 0.00 0.00 0.00 0.00 55.73 56.43 2ron s ARG 75 Cb -0.01 -2.04 0.00 0.00 0.00 0.00 0.00 34.95 32.91 2ron s ARG 75 CO -0.01 -0.86 0.00 -0.35 0.00 0.00 0.00 175.30 174.09 2ron n PRO 76 N -2.93 -0.42 -3.05 3.54 -0.04 -1.26 -5.00 135.00 125.83 2ron n PRO 76 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 2ron n PRO 76 Cb 0.55 0.00 -0.05 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 7.11 0.03 3.54 1.11 -1.26 -5.00 116.67 120.70 2ron s ASP 77 Ca 0.00 1.33 -0.30 0.00 0.18 0.00 0.00 52.55 53.76 2ron s ASP 77 Cb 0.00 -2.43 -0.17 0.00 1.07 0.00 0.00 42.92 41.39 2ron s ASP 77 CO 0.00 0.02 1.28 0.03 1.18 0.00 0.00 175.17 177.68 2ron h ARG 78 N 5.79 -1.01 -7.20 8.23 3.08 -1.88 -3.45 114.38 117.94 2ron h ARG 78 Ca -0.44 0.07 -0.51 0.00 0.07 0.00 0.00 59.98 59.17 2ron h ARG 78 Cb 1.20 0.23 0.10 0.00 0.08 0.00 0.00 29.97 31.58 2ron h ARG 78 CO 0.71 -0.66 0.37 -1.25 -1.07 0.00 0.00 179.97 178.07 2ron s PRO 79 N -5.14 2.80 -0.28 0.04 0.04 -1.26 -4.38 135.00 126.82 2ron s PRO 79 Ca -0.16 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 2ron s PRO 79 Cb 0.02 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2ron s PRO 79 CO 0.49 -1.25 0.77 0.12 0.04 0.00 0.00 177.00 177.17 2ron s PHE 80 N -2.33 -0.92 -0.06 0.56 5.36 -0.77 -3.56 117.98 116.27 2ron s PHE 80 Ca 0.67 1.87 0.01 0.00 -0.96 0.00 0.00 56.93 58.52 2ron s PHE 80 Cb -0.21 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 2ron s PHE 80 CO 0.41 -0.45 -0.07 0.14 -1.46 0.00 0.00 175.22 173.79 2ron s VAL 81 N 1.43 0.75 -0.13 3.12 -7.23 -0.58 -3.83 120.40 113.93 2ron s VAL 81 Ca -0.09 -0.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2ron s VAL 81 Cb -0.05 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2ron s VAL 81 CO -0.17 0.28 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.53 2ron s LEU 82 N 1.03 2.53 -0.42 1.32 0.20 -1.23 -0.22 118.68 121.88 2ron s LEU 82 Ca -0.09 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.35 2ron s LEU 82 Cb -0.14 -1.56 0.12 0.00 -0.43 0.00 0.00 46.19 44.17 2ron s LEU 82 CO -0.00 0.14 0.16 -0.36 -0.29 0.00 0.00 176.35 175.99 2ron s PHE 83 N 0.51 3.24 0.00 5.38 0.08 -0.87 -4.28 117.98 122.03 2ron s PHE 83 Ca -0.10 -2.95 0.00 0.00 0.12 0.00 0.00 56.93 54.00 2ron s PHE 83 Cb -0.16 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2ron s PHE 83 CO 0.04 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 2ron n GLY 84 N 3.75 1.09 3.49 4.36 0.00 -1.26 -2.51 105.19 114.09 2ron n GLY 84 Ca 0.04 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 3.11 1.78 -0.37 1.61 0.09 -1.26 -4.86 115.29 115.39 2ron s HIS 85 Ca 0.00 -1.37 0.08 0.00 -0.00 0.00 0.00 55.06 53.76 2ron s HIS 85 Cb 0.00 -1.09 0.65 0.00 -0.00 0.00 0.00 32.58 32.14 2ron s HIS 85 CO 0.00 -0.41 1.69 0.43 -0.00 0.00 0.00 174.74 176.45 2ron n SER 86 N -1.42 4.39 -0.01 1.40 7.64 -1.26 -3.41 113.62 120.94 2ron n SER 86 Ca -0.04 -3.10 -0.01 0.00 1.01 0.00 0.00 58.87 56.72 2ron n SER 86 Cb 0.64 -0.73 -0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.20 0.07 0.00 1.43 2.81 -1.26 -5.05 117.12 114.92 2ron n MET 87 Ca 0.38 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 2ron n MET 87 Cb 1.30 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 33.28 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 1.92 1.86 0.00 3.03 0.00 -1.26 -5.08 105.19 105.65 2ron n GLY 88 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.94 0.15 -0.02 0.00 -1.26 -4.65 105.19 100.35 2ron n GLY 89 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.43 -0.79 1.61 -0.00 -1.98 -2.38 114.93 111.82 2ron h MET 90 Ca 0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 2ron h MET 90 Cb 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 31.60 31.47 2ron h MET 90 CO 0.00 0.31 0.34 -0.84 -0.00 0.00 0.00 176.91 176.72 2ron h ILE 91 N 0.42 1.26 0.40 -0.10 3.07 -1.96 -0.81 117.51 119.78 2ron h ILE 91 Ca 0.12 -0.78 -0.01 0.00 1.55 0.00 0.00 64.86 65.74 2ron h ILE 91 Cb -0.02 0.29 -0.02 0.00 -0.27 0.00 0.00 36.82 36.80 2ron h ILE 91 CO -0.02 0.32 -0.40 0.74 -1.05 0.00 0.00 178.15 177.74 2ron h THR 92 N 1.14 0.20 -0.05 0.16 2.02 -1.88 -2.17 112.91 112.33 2ron h THR 92 Ca 0.27 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 2ron h THR 92 Cb 0.18 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2ron h THR 92 CO -0.03 0.00 -0.17 0.15 0.37 0.00 0.00 175.52 175.84 2ron h PHE 93 N -0.81 0.08 -0.40 3.16 3.04 -1.38 -2.10 116.94 118.53 2ron h PHE 93 Ca -0.03 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 61.98 2ron h PHE 93 Cb 0.73 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.16 2ron h PHE 93 CO -0.22 0.25 0.05 -0.09 -2.02 0.00 0.00 178.31 176.28 2ron h ARG 94 N 0.07 0.17 0.01 1.11 2.43 -0.52 0.22 114.38 117.88 2ron h ARG 94 Ca 0.01 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2ron h ARG 94 Cb 0.35 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ron h ARG 94 CO 0.02 0.11 -0.96 -0.07 -1.51 0.00 0.00 179.97 177.57 2ron h LEU 95 N 0.17 0.46 0.77 3.80 -0.00 -1.21 -2.14 115.31 117.17 2ron h LEU 95 Ca 0.20 -0.38 -0.04 0.00 -0.00 0.00 0.00 57.88 57.66 2ron h LEU 95 Cb 0.25 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 40.78 2ron h LEU 95 CO -0.28 1.19 -0.37 0.00 -0.00 0.00 0.00 178.44 178.98 2ron h ALA 96 N 0.78 -1.04 -0.66 1.53 0.00 -0.79 -1.91 119.26 117.16 2ron h ALA 96 Ca -0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2ron h ALA 96 Cb 1.60 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2ron h ALA 96 CO 0.16 -1.05 0.19 0.37 0.00 0.00 0.00 179.25 178.92 2ron h GLN 97 N -1.12 1.03 0.19 0.00 5.75 -0.70 -0.60 115.11 119.66 2ron h GLN 97 Ca -0.11 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2ron h GLN 97 Cb 0.81 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2ron h GLN 97 CO 0.17 0.89 -0.27 -0.22 -2.65 0.00 0.00 178.83 176.76 2ron h LYS 98 N 0.99 -0.46 -0.08 1.69 1.63 -1.32 -0.70 116.57 118.32 2ron h LYS 98 Ca 0.21 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 2ron h LYS 98 Cb 0.31 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2ron h LYS 98 CO -0.00 -0.30 -0.06 1.25 -3.45 0.00 0.00 179.45 176.88 2ron h LEU 99 N -0.47 0.11 0.61 5.20 6.46 -1.36 0.23 115.31 126.08 2ron h LEU 99 Ca -0.02 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 2ron h LEU 99 Cb 0.43 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2ron h LEU 99 CO -0.08 0.19 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.41 2ron h GLU 100 N 0.12 -0.98 -0.04 1.25 4.81 -0.57 0.18 114.58 119.35 2ron h GLU 100 Ca 0.03 0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 2ron h GLU 100 Cb 0.19 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2ron h GLU 100 CO 0.01 -0.66 -0.86 0.07 -0.73 0.00 0.00 179.01 176.85 2ron h ARG 101 N -1.02 0.42 -0.38 1.92 0.11 -1.00 -2.10 114.38 112.32 2ron h ARG 101 Ca -0.07 -0.41 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 2ron h ARG 101 Cb 0.85 0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 2ron h ARG 101 CO 0.03 1.06 0.20 0.93 0.10 0.00 0.00 179.97 182.29 2ron h GLU 102 N 0.26 0.52 0.00 0.08 4.39 -0.47 -3.15 114.58 116.21 2ron h GLU 102 Ca -0.06 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 2ron h GLU 102 Cb 1.47 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2ron h GLU 102 CO 0.15 0.40 -0.42 0.78 -1.16 0.00 0.00 179.01 178.75 2ron h GLY 103 N 0.62 0.00 -6.53 -3.84 0.00 -0.60 -3.47 103.07 89.25 2ron h GLY 103 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.26 2ron h GLY 103 CO -0.02 0.00 -0.53 -0.42 0.00 0.00 0.00 176.54 175.57 2ron s ILE 104 N -2.22 -0.48 0.01 2.60 1.01 -0.79 -4.88 121.20 116.44 2ron s ILE 104 Ca -0.21 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 2ron s ILE 104 Cb 0.00 -0.69 -0.16 0.00 0.01 0.00 0.00 42.46 41.62 2ron s ILE 104 CO 0.59 -0.09 1.18 0.15 0.00 0.00 0.00 174.94 176.77 2ron h PHE 105 N 8.24 -0.62 -1.41 3.97 3.57 -1.77 -3.39 116.94 125.54 2ron h PHE 105 Ca -0.17 -0.01 -0.41 0.00 3.53 0.00 0.00 57.97 60.90 2ron h PHE 105 Cb 1.14 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 2ron h PHE 105 CO 0.18 -0.29 1.08 -1.25 -2.23 0.00 0.00 178.31 175.80 2ron s PRO 106 N -4.69 2.59 0.10 6.41 0.04 -1.26 -4.95 135.00 133.24 2ron s PRO 106 Ca -0.14 0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.17 2ron s PRO 106 Cb 0.02 -4.69 -0.04 0.00 0.04 0.00 0.00 34.50 29.83 2ron s PRO 106 CO 0.48 -3.03 -0.04 -0.65 0.04 0.00 0.00 177.00 173.81 2ron s GLN 107 N 7.03 2.38 0.00 4.56 -0.21 -1.26 -4.76 119.66 127.40 2ron s GLN 107 Ca 0.69 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 55.14 2ron s GLN 107 Cb -0.10 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.47 2ron s GLN 107 CO 0.11 0.52 0.00 0.00 -2.12 0.00 0.00 175.29 173.80 2ron n ALA 108 N 0.55 0.00 -2.42 6.09 0.00 -1.26 -4.91 120.51 118.56 2ron n ALA 108 Ca -0.12 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 2ron n ALA 108 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 4.92 -0.16 0.00 -7.23 -1.26 -3.55 120.40 112.65 2ron s VAL 109 Ca 0.00 1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 61.09 2ron s VAL 109 Cb 0.00 -3.79 0.06 0.00 0.56 0.00 0.00 36.38 33.21 2ron s VAL 109 CO 0.00 0.55 0.38 -0.63 -0.31 0.00 0.00 175.10 175.09 2ron s ILE 110 N -0.99 -0.13 -0.05 -0.62 1.01 -0.79 -1.84 121.20 117.79 2ron s ILE 110 Ca 0.26 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.09 2ron s ILE 110 Cb -0.18 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2ron s ILE 110 CO 0.15 0.05 -0.22 -0.51 0.00 0.00 0.00 174.94 174.41 2ron s ILE 111 N 1.60 1.84 0.02 2.92 -1.16 -1.25 -3.05 121.20 122.12 2ron s ILE 111 Ca -0.08 -0.95 0.00 0.00 -0.51 0.00 0.00 60.65 59.12 2ron s ILE 111 Cb -0.09 -1.56 -0.04 0.00 0.61 0.00 0.00 42.46 41.38 2ron s ILE 111 CO -0.12 0.52 0.11 -0.44 -2.81 0.00 0.00 174.94 172.20 2ron s SER 112 N -0.10 5.85 0.27 4.50 0.01 -1.11 -3.58 113.70 119.55 2ron s SER 112 Ca -0.04 0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.42 2ron s SER 112 Cb -0.13 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 2ron s SER 112 CO 0.03 0.23 0.21 0.00 0.41 0.00 0.00 173.24 174.12 2ron s ALA 113 N -1.31 1.58 -1.70 1.44 0.00 -1.26 -3.15 121.76 117.37 2ron s ALA 113 Ca 0.27 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2ron s ALA 113 Cb -0.12 1.42 0.00 0.00 0.00 0.00 0.00 23.12 24.42 2ron s ALA 113 CO 0.19 -0.62 0.00 -0.89 0.00 0.00 0.00 175.76 174.44 2ron n ILE 114 N -0.47 -0.42 -1.46 0.00 5.41 -1.22 -4.62 119.36 116.58 2ron n ILE 114 Ca 0.05 0.00 -0.49 0.00 1.00 0.00 0.00 62.75 63.31 2ron n ILE 114 Cb 0.64 -2.10 -0.07 0.00 -0.71 0.00 0.00 39.64 37.40 2ron n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ron n GLN 115 N -2.55 1.06 -1.19 0.38 6.02 -1.25 -4.77 117.38 115.07 2ron n GLN 115 Ca -0.19 0.27 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 2ron n GLN 115 Cb 0.62 -2.51 0.15 0.00 1.02 0.00 0.00 30.24 29.51 2ron n GLN 115 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2ron s PRO 116 N 6.50 1.07 0.20 -1.09 0.04 -1.26 -2.38 135.00 138.07 2ron s PRO 116 Ca 1.10 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 2ron s PRO 116 Cb -0.81 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.07 2ron s PRO 116 CO 0.47 -2.36 1.55 -1.00 0.04 0.00 0.00 177.00 175.70 2ron h PRO 117 N -1.63 0.68 -6.94 0.56 0.13 -1.91 -3.44 132.00 119.44 2ron h PRO 117 Ca -0.51 -0.36 -0.56 0.00 -0.87 0.00 0.00 66.00 63.71 2ron h PRO 117 Cb 1.29 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.57 2ron h PRO 117 CO 0.55 0.96 0.51 -2.39 -0.23 0.00 0.00 178.00 177.41 2ron n HIS 118 N -4.03 2.09 -3.91 1.56 1.44 -1.26 -4.83 115.22 106.28 2ron n HIS 118 Ca -0.02 0.45 -0.10 0.00 -2.01 0.00 0.00 57.72 56.04 2ron n HIS 118 Cb 0.53 -2.35 -0.11 0.00 0.12 0.00 0.00 29.99 28.19 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 -1.28 0.08 -0.45 0.61 -0.00 -1.26 -4.66 121.20 114.23 2ron s ILE 119 Ca 0.68 -0.64 -0.27 0.00 -0.00 0.00 0.00 60.65 60.42 2ron s ILE 119 Cb -0.45 -0.29 -0.05 0.00 -0.00 0.00 0.00 42.46 41.67 2ron s ILE 119 CO 0.52 -0.35 2.17 -1.58 -0.00 0.00 0.00 174.94 175.71 2ron s GLN 120 N -1.12 2.56 0.09 0.37 -0.44 -1.26 -4.86 119.66 115.01 2ron s GLN 120 Ca -0.12 1.35 -0.31 0.00 -2.50 0.00 0.00 55.36 53.78 2ron s GLN 120 Cb -0.07 -4.45 -0.10 0.00 -1.64 0.00 0.00 33.01 26.75 2ron s GLN 120 CO 0.00 -2.76 1.90 0.50 0.50 0.00 0.00 175.29 175.43 2ron s ARG 121 N 7.30 4.14 0.32 1.67 3.52 -1.26 -4.97 118.95 129.67 2ron s ARG 121 Ca 0.89 2.62 0.05 0.00 -0.13 0.00 0.00 55.73 59.16 2ron s ARG 121 Cb -0.20 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.31 2ron s ARG 121 CO 0.27 -0.90 0.30 0.15 -0.81 0.00 0.00 175.30 174.31 2ron s LYS 122 N 3.53 1.73 -0.39 5.12 1.02 -1.26 -5.10 119.74 124.38 2ron s LYS 122 Ca 0.85 -1.94 -0.28 0.00 0.02 0.00 0.00 55.97 54.62 2ron s LYS 122 Cb -0.45 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 2ron s LYS 122 CO 0.39 -0.65 1.70 0.21 -0.92 0.00 0.00 175.35 176.09 2ron s LYS 123 N -3.46 3.30 -0.18 1.68 2.47 -1.26 -4.93 119.74 117.36 2ron s LYS 123 Ca 0.39 1.17 -0.29 0.00 -1.56 0.00 0.00 55.97 55.69 2ron s LYS 123 Cb 0.02 -4.18 0.12 0.00 -1.46 0.00 0.00 37.83 32.33 2ron s LYS 123 CO 0.25 -1.91 0.97 0.54 0.16 0.00 0.00 175.35 175.36 2ron s VAL 124 N 6.81 0.00 -0.10 4.02 0.11 -1.26 -5.05 120.40 124.92 2ron s VAL 124 Ca 0.73 0.00 0.14 0.00 -2.93 0.00 0.00 61.98 59.92 2ron s VAL 124 Cb -0.19 -1.00 0.30 0.00 -1.53 0.00 0.00 36.38 33.97 2ron s VAL 124 CO 0.31 0.00 1.15 -0.24 -3.33 0.00 0.00 175.10 172.99 2ron n SER 125 N 1.17 1.43 -0.15 3.54 2.88 -1.26 -4.71 113.62 116.52 2ron n SER 125 Ca -0.12 -2.92 0.26 0.00 -1.33 0.00 0.00 58.87 54.76 2ron n SER 125 Cb 0.57 -0.39 0.69 0.00 -0.75 0.00 0.00 64.21 64.33 2ron n SER 125 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2ron h HIS 126 N 0.51 0.06 -3.83 0.66 2.07 -1.98 -3.42 115.15 109.23 2ron h HIS 126 Ca -0.05 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.25 2ron h HIS 126 Cb 1.26 -0.02 -0.15 0.00 2.57 0.00 0.00 27.41 31.06 2ron h HIS 126 CO 0.29 0.02 -0.70 -0.51 -3.07 0.00 0.00 177.93 173.96 2ron s LEU 127 N -8.68 2.49 0.20 6.12 1.43 -1.26 -5.05 118.68 113.93 2ron s LEU 127 Ca -0.05 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 2ron s LEU 127 Cb 0.21 -0.08 0.14 0.00 0.03 0.00 0.00 46.19 46.50 2ron s LEU 127 CO 0.77 -0.45 1.55 1.55 0.23 0.00 0.00 176.35 180.00 2ron h PRO 128 N 3.09 0.65 -0.56 1.29 0.13 -1.99 -3.05 132.00 131.57 2ron h PRO 128 Ca -0.35 -0.34 -0.09 0.00 -0.87 0.00 0.00 66.00 64.34 2ron h PRO 128 Cb 1.17 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2ron h PRO 128 CO 0.63 0.95 0.10 -0.40 -0.23 0.00 0.00 178.00 179.05 2ron n ASP 129 N -4.03 4.81 0.34 1.44 5.68 -1.26 -4.65 116.55 118.88 2ron n ASP 129 Ca -0.02 -3.12 -0.17 0.00 -0.50 0.00 0.00 54.79 50.99 2ron n ASP 129 Cb 0.53 -0.68 -0.09 0.00 -1.14 0.00 0.00 41.12 39.75 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2ron h ASP 130 N 2.84 -1.12 -0.81 -1.12 3.58 -1.89 0.08 116.42 117.97 2ron h ASP 130 Ca 0.12 0.07 0.15 0.00 0.42 0.00 0.00 57.03 57.78 2ron h ASP 130 Cb 1.99 0.34 -0.06 0.00 1.72 0.00 0.00 39.33 43.32 2ron h ASP 130 CO 0.53 -0.63 0.54 0.06 -2.88 0.00 0.00 179.24 176.85 2ron h GLN 131 N -0.99 0.52 0.00 0.28 3.07 -1.83 0.24 115.11 116.40 2ron h GLN 131 Ca -0.08 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.63 2ron h GLN 131 Cb 0.81 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.25 2ron h GLN 131 CO 0.05 0.34 0.00 1.19 0.09 0.00 0.00 178.83 180.50 2ron n PHE 132 N -4.51 0.00 -0.01 0.06 3.01 -0.96 -1.90 117.46 113.16 2ron n PHE 132 Ca 0.16 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.83 2ron n PHE 132 Cb 0.51 -0.45 0.71 0.00 -0.01 0.00 0.00 39.48 40.23 2ron n PHE 132 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2ron h LEU 133 N 0.00 0.00 0.11 4.37 8.10 -0.87 0.10 115.31 127.12 2ron h LEU 133 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2ron h LEU 133 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2ron h LEU 133 CO 0.00 0.00 -0.05 0.44 -4.11 0.00 0.00 178.44 174.72 2ron h ASP 134 N 0.00 -0.12 0.13 0.17 5.19 -0.48 -0.45 116.42 120.85 2ron h ASP 134 Ca 0.27 -0.11 -0.20 0.00 -0.62 0.00 0.00 57.03 56.36 2ron h ASP 134 Cb 1.13 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2ron h ASP 134 CO -0.00 0.03 -0.77 -0.74 -3.12 0.00 0.00 179.24 174.64 2ron h HIS 135 N -0.27 0.74 -0.01 4.55 -0.00 -0.52 -3.12 115.15 116.52 2ron h HIS 135 Ca -0.01 -0.33 -0.04 0.00 -0.00 0.00 0.00 60.37 59.99 2ron h HIS 135 Cb 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 2ron h HIS 135 CO -0.03 1.12 -0.16 0.82 -0.00 0.00 0.00 177.93 179.68 2ron h ILE 136 N 0.36 1.12 -6.24 6.26 2.04 -0.78 -3.46 117.51 116.81 2ron h ILE 136 Ca -0.04 -0.58 -0.47 0.00 1.00 0.00 0.00 64.86 64.77 2ron h ILE 136 Cb 1.37 1.30 -0.27 0.00 -0.74 0.00 0.00 36.82 38.48 2ron h ILE 136 CO 0.14 0.17 -0.69 2.30 0.00 0.00 0.00 178.15 180.06 2ron n ILE 137 N -4.34 -0.13 0.03 -0.67 -6.64 -0.19 -4.71 119.36 102.71 2ron n ILE 137 Ca -0.02 -0.07 -0.01 0.00 -1.77 0.00 0.00 62.75 60.88 2ron n ILE 137 Cb 0.23 -0.44 -0.00 0.00 -1.44 0.00 0.00 39.64 37.99 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 2ron n GLN 138 N -3.27 0.08 -3.89 6.28 7.27 -1.26 -4.26 117.38 118.32 2ron n GLN 138 Ca 0.03 0.03 -0.26 0.00 0.07 0.00 0.00 57.00 56.87 2ron n GLN 138 Cb 0.37 -0.63 0.01 0.00 2.41 0.00 0.00 30.24 32.40 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 -3.63 -2.53 0.00 1.69 7.99 -1.26 -0.26 117.00 119.00 2ron n LEU 139 Ca -0.02 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 55.08 2ron n LEU 139 Cb 0.08 -2.43 0.00 0.00 -0.11 0.00 0.00 43.42 40.96 2ron n LEU 139 CO 0.03 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 176.94 2ron n GLY 140 N -1.72 0.60 0.00 -0.72 0.00 -1.26 -4.89 105.19 97.19 2ron n GLY 140 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.80 0.02 3.53 -0.02 0.00 0.65 -5.11 105.19 101.46 2ron n GLY 141 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2ron n GLY 141 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ron s MET 142 N 0.43 0.71 0.41 1.61 0.23 -1.26 -5.07 119.30 116.38 2ron s MET 142 Ca 0.00 -0.19 -0.25 0.00 -1.03 0.00 0.00 55.69 54.22 2ron s MET 142 Cb 0.00 0.33 -0.08 0.00 -1.53 0.00 0.00 34.83 33.55 2ron s MET 142 CO 0.00 -0.30 1.18 -1.25 -2.03 0.00 0.00 175.02 172.63 2ron s PRO 143 N -2.64 3.98 -0.29 3.16 0.04 -1.26 -4.43 135.00 133.56 2ron s PRO 143 Ca 0.04 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 2ron s PRO 143 Cb -0.01 -2.63 0.15 0.00 0.04 0.00 0.00 34.50 32.06 2ron s PRO 143 CO -0.06 -0.39 0.99 0.00 0.04 0.00 0.00 177.00 177.58 2ron s ALA 144 N -1.42 -2.41 0.00 8.56 0.00 -1.26 -5.03 121.76 120.19 2ron s ALA 144 Ca 0.58 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.70 2ron s ALA 144 Cb -0.31 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 20.99 2ron s ALA 144 CO 0.39 -0.50 0.14 0.39 0.00 0.00 0.00 175.76 176.18 2ron n GLU 145 N 4.00 0.34 -0.07 0.00 1.02 -1.26 -4.76 120.64 119.91 2ron n GLU 145 Ca -0.16 -0.14 0.01 0.00 -0.02 0.00 0.00 57.16 56.85 2ron n GLU 145 Cb 0.56 -0.57 0.02 0.00 -0.02 0.00 0.00 31.44 31.43 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 -0.09 1.01 -0.01 -4.62 -0.00 -1.26 -4.73 117.00 107.29 2ron n LEU 146 Ca 0.00 -1.21 0.01 0.00 -0.00 0.00 0.00 56.01 54.81 2ron n LEU 146 Cb 0.12 -0.05 -0.05 0.00 -0.00 0.00 0.00 43.42 43.44 2ron n LEU 146 CO 0.00 0.30 -0.61 1.33 -0.00 0.00 0.00 177.39 178.40 2ron n VAL 147 N -0.35 0.14 -0.29 1.47 0.24 -1.26 -4.60 118.33 113.67 2ron n VAL 147 Ca 0.02 -0.17 0.28 0.00 -2.04 0.00 0.00 64.34 62.42 2ron n VAL 147 Cb 0.45 -0.07 0.63 0.00 -1.47 0.00 0.00 33.84 33.37 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 0.19 0.02 7.34 4.11 -1.86 -1.78 114.58 122.60 2ron h GLU 148 Ca -0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2ron h GLU 148 Cb 0.66 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2ron h GLU 148 CO 0.00 0.13 -0.02 -0.91 0.07 0.00 0.00 179.01 178.28 2ron h ASN 149 N 0.20 -0.04 -0.66 3.06 2.35 -1.92 0.98 115.58 119.53 2ron h ASN 149 Ca 0.55 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 56.49 2ron h ASN 149 Cb 1.77 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 40.12 2ron h ASN 149 CO -0.14 -0.02 0.47 0.07 -1.65 0.00 0.00 177.43 176.16 2ron h LYS 150 N -0.03 0.04 -0.06 0.81 2.10 -1.76 0.27 116.57 117.94 2ron h LYS 150 Ca -0.00 -0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2ron h LYS 150 Cb 0.03 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2ron h LYS 150 CO -0.00 0.02 -0.45 0.93 -2.00 0.00 0.00 179.45 177.95 2ron h GLU 151 N 0.04 0.13 0.00 0.07 5.08 -0.92 0.10 114.58 119.08 2ron h GLU 151 Ca 0.32 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 2ron h GLU 151 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2ron h GLU 151 CO -0.02 0.56 -0.69 0.28 -1.00 0.00 0.00 179.01 178.15 2ron h VAL 152 N 0.11 1.43 -0.03 3.13 2.07 0.21 0.42 116.25 123.59 2ron h VAL 152 Ca 0.01 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2ron h VAL 152 Cb 0.84 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2ron h VAL 152 CO 0.06 0.68 -0.01 1.15 0.02 0.00 0.00 177.57 179.47 2ron n MET 153 N -3.62 2.26 0.00 1.57 0.00 -0.97 -4.17 117.12 112.18 2ron n MET 153 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 57.70 55.85 2ron n MET 153 Cb 0.70 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.46 2ron n MET 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2ron n SER 154 N 1.24 0.00 0.10 3.17 7.64 0.34 -4.45 113.62 121.66 2ron n SER 154 Ca 0.14 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.22 2ron n SER 154 Cb 0.58 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.52 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 -4.75 1.43 -1.00 -0.61 -3.43 116.94 108.58 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 -0.01 0.34 -1.61 0.00 0.00 178.31 177.03 2ron n PHE 156 N -3.62 -2.21 -1.04 -0.55 -0.00 0.11 -4.02 117.46 106.13 2ron n PHE 156 Ca 0.07 0.85 -0.35 0.00 -0.00 0.00 0.00 57.45 58.02 2ron n PHE 156 Cb 0.64 -3.43 0.09 0.00 -0.00 0.00 0.00 39.48 36.78 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 -1.54 0.27 0.18 -2.13 -0.00 -1.24 -4.53 117.00 108.00 2ron n LEU 157 Ca 0.00 0.46 0.03 0.00 -0.00 0.00 0.00 56.01 56.50 2ron n LEU 157 Cb 0.50 -1.21 0.32 0.00 -0.00 0.00 0.00 43.42 43.03 2ron n LEU 157 CO 0.39 -3.39 0.66 1.55 -0.00 0.00 0.00 177.39 176.60 2ron h PRO 158 N -0.94 0.00 -5.51 1.47 0.13 -1.85 -3.43 132.00 121.87 2ron h PRO 158 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.21 2ron h PRO 158 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2ron h PRO 158 CO 0.38 0.43 1.65 0.43 -0.23 0.00 0.00 178.00 180.67 2ron n SER 159 N -3.85 1.96 0.13 1.44 7.64 -1.26 -4.83 113.62 114.84 2ron n SER 159 Ca -0.01 -0.36 -0.05 0.00 1.01 0.00 0.00 58.87 59.46 2ron n SER 159 Cb 0.48 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 160 N 18.05 -0.31 -1.12 1.43 0.04 -1.98 -2.66 116.94 130.38 2ron h PHE 160 Ca -0.21 -0.01 0.36 0.00 2.80 0.00 0.00 57.97 60.91 2ron h PHE 160 Cb 1.28 0.10 -0.13 0.00 2.20 0.00 0.00 35.95 39.40 2ron h PHE 160 CO 0.98 -0.20 0.68 0.07 -0.60 0.00 0.00 178.31 179.25 2ron h ARG 161 N -0.46 0.22 0.00 1.51 0.11 -1.97 0.42 114.38 114.21 2ron h ARG 161 Ca -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2ron h ARG 161 Cb 0.26 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2ron h ARG 161 CO 0.06 0.15 0.00 0.45 0.10 0.00 0.00 179.97 180.72 2ron n SER 162 N -4.87 0.00 -0.12 0.08 2.88 -1.20 -1.66 113.62 108.73 2ron n SER 162 Ca 0.33 0.79 -0.04 0.00 -1.33 0.00 0.00 58.87 58.62 2ron n SER 162 Cb 1.15 -0.31 0.03 0.00 -0.75 0.00 0.00 64.21 64.33 2ron n SER 162 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ron h ASP 163 N 0.00 -0.21 -0.98 -3.46 1.82 -1.06 0.33 116.42 112.87 2ron h ASP 163 Ca 0.00 0.10 0.27 0.00 -0.39 0.00 0.00 57.03 57.01 2ron h ASP 163 Cb 0.00 0.18 -0.13 0.00 0.68 0.00 0.00 39.33 40.06 2ron h ASP 163 CO 0.00 -0.06 0.52 1.88 -1.61 0.00 0.00 179.24 179.97 2ron h TYR 164 N 0.08 0.87 0.08 0.28 -1.99 -0.24 0.75 116.97 116.81 2ron h TYR 164 Ca 0.20 0.04 -0.28 0.00 2.00 0.00 0.00 58.73 60.69 2ron h TYR 164 Cb 0.29 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 2ron h TYR 164 CO -0.29 -0.06 -1.40 -0.09 -0.00 0.00 0.00 178.16 176.32 2ron h ARG 165 N 0.43 0.17 0.00 4.88 2.43 -0.25 0.28 114.38 122.32 2ron h ARG 165 Ca 0.66 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2ron h ARG 165 Cb 1.34 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2ron h ARG 165 CO -0.54 1.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.94 2ron n ALA 166 N -2.57 2.55 0.00 2.80 0.00 0.10 0.09 120.51 123.49 2ron n ALA 166 Ca -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2ron n ALA 166 Cb 1.02 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.08 1.30 -0.05 0.00 7.94 0.23 -4.83 117.00 120.51 2ron n LEU 167 Ca 0.20 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.08 2ron n LEU 167 Cb 0.14 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.98 2ron n LEU 167 CO 0.18 0.22 -0.85 -0.62 -1.11 0.00 0.00 177.39 175.20 2ron n GLU 168 N -1.97 1.38 -3.02 1.96 -0.58 0.96 -5.00 120.64 114.37 2ron n GLU 168 Ca 0.00 -0.05 -0.20 0.00 -0.42 0.00 0.00 57.16 56.50 2ron n GLU 168 Cb 0.37 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2ron n GLN 169 N -2.34 -3.30 0.00 3.49 6.02 0.11 -4.78 117.38 116.58 2ron n GLN 169 Ca -0.16 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2ron n GLN 169 Cb 0.76 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.73 2ron n GLN 169 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ron n PHE 170 N -3.88 0.00 -0.96 1.08 3.72 -1.26 -5.04 117.46 111.13 2ron n PHE 170 Ca -0.07 -0.08 -0.34 0.00 -0.05 0.00 0.00 57.45 56.91 2ron n PHE 170 Cb 0.58 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.21 2ron n PHE 170 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ron n GLU 171 N -0.08 -0.08 -4.61 -1.08 -0.58 -1.26 -5.03 120.64 107.92 2ron n GLU 171 Ca 0.00 0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.48 2ron n GLU 171 Cb 0.16 -1.85 -0.08 0.00 -0.57 0.00 0.00 31.44 29.10 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 -0.80 2.17 0.00 -4.62 1.43 -1.26 -5.02 118.68 110.58 2ron s LEU 172 Ca 0.60 -1.63 0.31 0.00 -1.03 0.00 0.00 54.13 52.37 2ron s LEU 172 Cb -0.26 -0.41 1.60 0.00 0.03 0.00 0.00 46.19 47.15 2ron s LEU 172 CO 0.64 -0.85 2.09 0.00 0.23 0.00 0.00 176.35 178.46 2ron n TYR 173 N -1.04 0.00 -3.83 0.29 9.36 -1.26 -4.65 117.16 116.03 2ron n TYR 173 Ca -0.11 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.86 2ron n TYR 173 Cb 0.66 -0.22 -0.17 0.00 -0.63 0.00 0.00 39.34 38.98 2ron n TYR 173 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2ron s ASP 174 N -2.44 1.98 0.00 2.98 1.01 -1.26 -4.97 116.67 113.98 2ron s ASP 174 Ca 0.33 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2ron s ASP 174 Cb 0.21 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.49 2ron s ASP 174 CO 0.44 -0.17 0.12 0.00 0.21 0.00 0.00 175.17 175.77 2ron n LEU 175 N 5.04 0.24 -4.69 1.23 -0.00 -1.26 -5.06 117.00 112.49 2ron n LEU 175 Ca -0.10 -0.57 -0.29 0.00 -0.00 0.00 0.00 56.01 55.05 2ron n LEU 175 Cb 0.50 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.07 2ron n LEU 175 CO 0.14 0.06 0.65 0.00 -0.00 0.00 0.00 177.39 178.24 2ron s ALA 176 N -0.67 1.24 -1.10 1.47 0.00 -1.26 -4.21 121.76 117.23 2ron s ALA 176 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 2ron s ALA 176 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2ron s ALA 176 CO 0.00 -2.60 0.91 1.04 0.00 0.00 0.00 175.76 175.10 2ron n GLN 177 N -4.04 -2.92 -3.74 0.00 3.00 -1.13 -4.97 117.38 103.57 2ron n GLN 177 Ca 0.06 0.80 -0.16 0.00 -0.01 0.00 0.00 57.00 57.69 2ron n GLN 177 Cb 0.56 -5.60 -0.16 0.00 0.00 0.00 0.00 30.24 25.04 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 -3.41 -0.07 -0.29 5.09 1.01 -1.26 -5.06 121.20 117.21 2ron s ILE 178 Ca 0.37 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 2ron s ILE 178 Cb -0.06 -0.11 0.14 0.00 0.01 0.00 0.00 42.46 42.43 2ron s ILE 178 CO 0.76 0.11 0.94 0.00 0.00 0.00 0.00 174.94 176.74 2ron s GLN 179 N 1.35 0.43 0.01 2.79 1.03 -1.26 -2.87 119.66 121.15 2ron s GLN 179 Ca -0.06 0.73 0.00 0.00 0.04 0.00 0.00 55.36 56.08 2ron s GLN 179 Cb -0.13 0.09 0.00 0.00 0.03 0.00 0.00 33.01 33.00 2ron s GLN 179 CO -0.03 -0.09 0.00 0.43 -2.54 0.00 0.00 175.29 173.06 2ron n SER 180 N 3.76 -0.13 -3.09 12.60 7.64 -1.26 -4.80 113.62 128.34 2ron n SER 180 Ca -0.19 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ron n SER 180 Cb 0.58 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 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 -2.78 0.15 -4.03 1.43 -0.04 -1.26 -3.81 135.00 124.66 2ron n PRO 181 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 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 -0.42 1.57 0.05 0.52 1.01 -1.23 -1.57 120.40 120.32 2ron s VAL 182 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2ron s VAL 182 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2ron s VAL 182 CO 0.00 0.46 -0.16 -1.00 0.00 0.00 0.00 175.10 174.40 2ron s HIS 183 N 1.48 1.38 -0.04 5.22 3.76 -0.82 -1.88 115.29 124.41 2ron s HIS 183 Ca 0.05 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 2ron s HIS 183 Cb -0.13 -0.82 0.03 0.00 1.11 0.00 0.00 32.58 32.77 2ron s HIS 183 CO -0.11 0.06 0.08 0.08 -0.85 0.00 0.00 174.74 174.00 2ron s VAL 184 N -0.88 -0.04 -0.13 -0.90 1.01 -1.17 -3.68 120.40 114.61 2ron s VAL 184 Ca 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2ron s VAL 184 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2ron s VAL 184 CO 0.02 0.06 -0.02 -0.36 0.00 0.00 0.00 175.10 174.79 2ron s PHE 185 N 0.79 3.07 -0.04 5.22 0.08 -0.77 -2.74 117.98 123.59 2ron s PHE 185 Ca -0.06 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.82 2ron s PHE 185 Cb -0.09 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2ron s PHE 185 CO -0.03 0.14 0.15 1.21 -0.10 0.00 0.00 175.22 176.59 2ron s ASN 186 N -0.06 -0.09 0.00 1.36 2.47 -1.19 -1.16 114.94 116.27 2ron s ASN 186 Ca 0.02 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.43 2ron s ASN 186 Cb -0.13 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.95 2ron s ASN 186 CO 0.02 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 2ron n GLY 187 N 2.42 0.57 4.14 1.21 0.00 -0.64 -3.88 105.19 108.99 2ron n GLY 187 Ca -0.16 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.75 -0.33 0.99 -0.00 -1.00 -3.27 117.00 112.63 2ron n LEU 188 Ca 0.00 -1.10 0.04 0.00 -0.00 0.00 0.00 56.01 54.95 2ron n LEU 188 Cb 0.00 -1.39 0.22 0.00 -0.00 0.00 0.00 43.42 42.24 2ron n LEU 188 CO 0.00 0.17 1.26 0.44 -0.00 0.00 0.00 177.39 179.25 2ron h ASP 189 N -0.93 0.96 0.00 1.45 3.32 -1.87 -3.14 116.42 116.21 2ron h ASP 189 Ca -0.54 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2ron h ASP 189 Cb 1.21 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2ron h ASP 189 CO 0.74 0.61 0.00 -0.90 -1.72 0.00 0.00 179.24 177.97 2ron n ASP 190 N -4.50 0.00 -4.18 6.45 5.68 -1.26 0.00 116.55 118.75 2ron n ASP 190 Ca 0.15 0.92 -0.18 0.00 -0.50 0.00 0.00 54.79 55.18 2ron n ASP 190 Cb 0.20 -0.42 -0.12 0.00 -1.14 0.00 0.00 41.12 39.64 2ron n ASP 190 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ron s LYS 191 N -2.68 0.83 0.00 0.11 -2.85 -1.19 -3.23 119.74 110.73 2ron s LYS 191 Ca 0.00 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 2ron s LYS 191 Cb 0.00 -0.81 0.00 0.00 -2.06 0.00 0.00 37.83 34.96 2ron s LYS 191 CO 0.00 0.18 0.00 0.36 0.10 0.00 0.00 175.35 175.99 2ron n LYS 192 N 1.19 1.38 -0.12 1.78 2.85 -1.26 -4.67 118.16 119.31 2ron n LYS 192 Ca -0.21 0.00 0.25 0.00 -1.05 0.00 0.00 58.31 57.31 2ron n LYS 192 Cb 0.54 -0.98 0.70 0.00 -0.65 0.00 0.00 35.03 34.65 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ron h ILE 194 N 0.02 1.44 -0.02 0.00 -0.00 -1.99 -1.10 117.51 115.87 2ron h ILE 194 Ca 0.36 -2.27 -0.01 0.00 -0.00 0.00 0.00 64.86 62.95 2ron h ILE 194 Cb 1.43 2.21 -0.00 0.00 -0.00 0.00 0.00 36.82 40.46 2ron h ILE 194 CO -0.01 0.66 -0.03 -0.09 -0.00 0.00 0.00 178.15 178.68 2ron h ARG 195 N 0.13 0.05 -0.35 2.19 9.65 -0.68 -1.72 114.38 123.64 2ron h ARG 195 Ca -0.02 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.71 2ron h ARG 195 Cb 1.27 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 2ron h ARG 195 CO 0.11 0.59 -0.27 0.22 2.80 0.00 0.00 179.97 183.42 2ron h ASP 196 N -0.48 0.75 0.68 -3.80 3.58 -1.43 0.51 116.42 116.22 2ron h ASP 196 Ca 0.00 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2ron h ASP 196 Cb 0.59 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.44 2ron h ASP 196 CO 0.01 0.98 -0.32 0.00 -2.88 0.00 0.00 179.24 177.02 2ron h ALA 197 N 1.07 -1.03 0.00 -0.78 0.00 -1.24 0.25 119.26 117.53 2ron h ALA 197 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ron h ALA 197 Cb 0.78 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ron h ALA 197 CO 0.06 -0.97 0.00 0.39 0.00 0.00 0.00 179.25 178.74 2ron n GLU 198 N -4.94 0.16 0.01 0.00 -0.58 -0.65 -1.80 120.64 112.85 2ron n GLU 198 Ca -0.11 0.28 -0.21 0.00 -0.42 0.00 0.00 57.16 56.70 2ron n GLU 198 Cb 0.36 -1.75 -0.14 0.00 -0.57 0.00 0.00 31.44 29.34 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ron h GLY 199 N 3.30 0.28 1.88 0.62 0.00 0.13 -3.36 103.07 105.92 2ron h GLY 199 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2ron h GLY 199 CO 0.00 0.62 -0.12 -0.25 0.00 0.00 0.00 176.54 176.79 2ron h TRP 200 N -0.31 0.00 -0.85 5.60 2.91 -0.50 -3.29 115.95 119.51 2ron h TRP 200 Ca -0.30 0.00 0.18 0.00 1.13 0.00 0.00 58.89 59.90 2ron h TRP 200 Cb 1.75 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 30.34 2ron h TRP 200 CO 0.13 0.00 0.56 1.57 -1.03 0.00 0.00 178.44 179.67 2ron h LYS 201 N 0.00 0.41 0.00 2.65 5.09 -1.50 0.27 116.57 123.48 2ron h LYS 201 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2ron h LYS 201 Cb 0.96 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.20 2ron h LYS 201 CO 0.00 0.27 -0.84 0.36 -2.09 0.00 0.00 179.45 177.14 2ron n LYS 202 N -4.50 0.37 -1.90 0.07 2.85 -1.24 -4.94 118.16 108.88 2ron n LYS 202 Ca 0.17 0.07 -0.16 0.00 -1.05 0.00 0.00 58.31 57.34 2ron n LYS 202 Cb 0.63 -1.69 -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 -2.21 -0.69 -3.49 5.58 7.02 0.94 -2.83 117.44 121.77 2ron n TRP 203 Ca 0.02 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.12 2ron n TRP 203 Cb 0.47 -3.09 -0.08 0.00 -2.42 0.00 0.00 31.31 26.18 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 -2.56 3.58 -0.30 6.99 0.00 -1.26 -4.53 121.76 123.67 2ron s ALA 204 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 2ron s ALA 204 Cb 0.00 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.68 2ron s ALA 204 CO 0.00 -0.32 0.07 -1.59 0.00 0.00 0.00 175.76 173.93 2ron s LYS 205 N 1.33 0.91 1.11 0.00 0.00 -1.14 -4.94 119.74 117.01 2ron s LYS 205 Ca 0.14 -1.14 -0.16 0.00 0.00 0.00 0.00 55.97 54.81 2ron s LYS 205 Cb -0.14 -2.24 0.15 0.00 0.00 0.00 0.00 37.83 35.59 2ron s LYS 205 CO 0.07 -0.92 0.33 -0.25 0.00 0.00 0.00 175.35 174.58 2ron n ASP 206 N 4.76 -2.12 -0.33 0.03 9.92 -1.26 -4.60 116.55 122.95 2ron n ASP 206 Ca -0.03 -0.07 0.28 0.00 -0.53 0.00 0.00 54.79 54.45 2ron n ASP 206 Cb 0.43 -1.07 0.61 0.00 -0.64 0.00 0.00 41.12 40.44 2ron n ASP 206 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2ron h ILE 207 N -2.17 0.45 -3.00 0.53 2.04 -1.39 -3.33 117.51 110.64 2ron h ILE 207 Ca -0.54 -0.08 -0.51 0.00 1.00 0.00 0.00 64.86 64.73 2ron h ILE 207 Cb 1.34 0.20 -0.40 0.00 -0.74 0.00 0.00 36.82 37.22 2ron h ILE 207 CO 0.41 0.04 -0.76 -0.89 0.00 0.00 0.00 178.15 176.94 2ron s THR 208 N -5.28 0.11 -0.09 -0.27 2.01 -1.24 -5.06 115.64 105.82 2ron s THR 208 Ca -0.07 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2ron s THR 208 Cb 0.25 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2ron s THR 208 CO 0.80 -0.48 -0.19 0.72 -0.69 0.00 0.00 174.62 174.79 2ron s PHE 209 N 2.03 2.13 -0.22 4.92 -0.71 -1.25 -1.94 117.98 122.95 2ron s PHE 209 Ca 0.05 -0.89 -0.04 0.00 -1.04 0.00 0.00 56.93 55.01 2ron s PHE 209 Cb -0.16 -1.47 0.10 0.00 -1.21 0.00 0.00 43.02 40.28 2ron s PHE 209 CO -0.21 -0.40 0.25 -1.58 -1.34 0.00 0.00 175.22 171.94 2ron s HIS 210 N 0.58 -0.38 0.37 3.49 2.46 -1.24 -5.05 115.29 115.53 2ron s HIS 210 Ca -0.15 0.29 -0.04 0.00 0.47 0.00 0.00 55.06 55.63 2ron s HIS 210 Cb -0.17 -0.31 -0.04 0.00 -0.13 0.00 0.00 32.58 31.93 2ron s HIS 210 CO 0.05 -0.64 0.64 1.14 -2.47 0.00 0.00 174.74 173.46 2ron s GLN 211 N 2.36 3.59 -0.25 2.88 0.00 -1.26 -1.85 119.66 125.14 2ron s GLN 211 Ca 0.08 0.03 -0.02 0.00 -0.00 0.00 0.00 55.36 55.45 2ron s GLN 211 Cb -0.16 -2.55 0.13 0.00 0.00 0.00 0.00 33.01 30.44 2ron s GLN 211 CO -0.14 0.05 0.35 0.12 0.00 0.00 0.00 175.29 175.67 2ron s PHE 212 N -2.36 -0.72 -0.19 9.60 5.36 -0.30 -4.93 117.98 124.44 2ron s PHE 212 Ca 0.45 0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 56.96 2ron s PHE 212 Cb -0.10 -0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.46 2ron s PHE 212 CO 0.36 -0.75 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.75 2ron s ASP 213 N 2.49 3.93 0.00 6.13 1.01 -1.26 -1.63 116.67 127.35 2ron s ASP 213 Ca 0.11 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.93 2ron s ASP 213 Cb -0.15 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.14 2ron s ASP 213 CO -0.19 0.03 0.63 0.61 0.21 0.00 0.00 175.17 176.47 2ron n GLY 214 N 4.43 -1.97 0.00 0.21 0.00 -1.20 -4.76 105.19 101.90 2ron n GLY 214 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.14 0.72 0.00 -0.02 0.00 0.10 -4.86 105.19 100.99 2ron n GLY 215 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.67 1.61 1.44 -0.65 -4.56 115.22 112.39 2ron n HIS 216 Ca 0.00 -0.25 -0.31 0.00 -2.01 0.00 0.00 57.72 55.15 2ron n HIS 216 Cb 0.00 -0.02 0.17 0.00 0.12 0.00 0.00 29.99 30.25 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 -0.25 -1.66 0.00 -1.40 0.00 -1.20 -4.43 117.12 108.19 2ron n MET 217 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 57.70 57.23 2ron n MET 217 Cb 0.25 -1.64 -0.00 0.00 0.00 0.00 0.00 33.22 31.83 2ron n MET 217 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2ron h PHE 218 N -2.10 -0.02 -0.37 1.12 3.57 -1.90 -0.35 116.94 116.89 2ron h PHE 218 Ca -0.50 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.93 2ron h PHE 218 Cb 1.31 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 2ron h PHE 218 CO -0.19 -0.01 -0.06 1.25 -2.23 0.00 0.00 178.31 177.07 2ron h LEU 219 N -0.01 0.59 -1.03 0.59 5.85 -1.98 -2.11 115.31 117.21 2ron h LEU 219 Ca 0.00 -0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.76 2ron h LEU 219 Cb 0.01 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 40.78 2ron h LEU 219 CO -0.00 0.71 0.62 -0.07 -0.34 0.00 0.00 178.44 179.35 2ron h LEU 220 N 0.58 0.79 0.00 2.25 -0.00 -1.81 0.12 115.31 117.23 2ron h LEU 220 Ca 0.11 0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 58.00 2ron h LEU 220 Cb 0.46 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2ron h LEU 220 CO 0.02 0.29 -0.89 0.77 -0.00 0.00 0.00 178.44 178.64 2ron h SER 221 N 0.77 0.00 0.60 -0.43 4.64 -0.76 -3.30 113.55 115.06 2ron h SER 221 Ca 0.57 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.82 2ron h SER 221 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2ron h SER 221 CO -0.36 0.32 -0.31 -0.61 -0.87 0.00 0.00 176.83 175.00 2ron h GLN 222 N 0.00 0.00 -3.31 4.77 5.75 -0.14 -3.37 115.11 118.81 2ron h GLN 222 Ca -0.06 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.83 2ron h GLN 222 Cb 1.29 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.44 2ron h GLN 222 CO 0.03 0.31 -0.73 -0.08 -2.65 0.00 0.00 178.83 175.72 2ron s THR 223 N -3.91 1.50 0.55 2.39 -1.32 -0.45 -4.96 115.64 109.44 2ron s THR 223 Ca -0.01 -2.38 0.27 0.00 -1.21 0.00 0.00 61.69 58.36 2ron s THR 223 Cb 0.12 -2.07 0.40 0.00 -1.51 0.00 0.00 72.50 69.44 2ron s THR 223 CO 0.67 -0.81 1.98 -0.33 -2.21 0.00 0.00 174.62 173.92 2ron h GLU 224 N 7.07 0.00 0.12 7.08 5.08 -1.75 -1.96 114.58 130.22 2ron h GLU 224 Ca -0.05 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2ron h GLU 224 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2ron h GLU 224 CO 0.51 0.00 -0.28 0.93 -1.00 0.00 0.00 179.01 179.17 2ron h GLU 225 N 0.00 -0.47 -0.95 2.33 5.08 -1.93 -0.35 114.58 118.30 2ron h GLU 225 Ca 0.24 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 2ron h GLU 225 Cb 1.04 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 2ron h GLU 225 CO -0.00 -0.32 0.61 0.28 -1.00 0.00 0.00 179.01 178.59 2ron h VAL 226 N -0.49 1.04 -0.19 3.13 2.07 -1.68 -0.81 116.25 119.32 2ron h VAL 226 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2ron h VAL 226 Cb 0.52 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2ron h VAL 226 CO -0.16 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.72 2ron h ALA 227 N 1.50 0.24 0.00 1.67 0.00 -1.32 -1.88 119.26 119.47 2ron h ALA 227 Ca 0.42 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2ron h ALA 227 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ron h ALA 227 CO -0.17 -0.20 -0.24 1.49 0.00 0.00 0.00 179.25 180.12 2ron h GLU 228 N 0.18 0.00 0.57 0.00 4.81 -0.48 -2.15 114.58 117.52 2ron h GLU 228 Ca 0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2ron h GLU 228 Cb 0.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.49 2ron h GLU 228 CO -0.01 0.24 -0.28 0.00 -0.73 0.00 0.00 179.01 178.24 2ron h ARG 229 N 0.00 -0.74 -0.78 1.92 2.47 -0.73 0.06 114.38 116.58 2ron h ARG 229 Ca -0.00 0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.85 2ron h ARG 229 Cb 0.45 0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 2ron h ARG 229 CO 0.03 -0.45 0.44 -0.84 0.56 0.00 0.00 179.97 179.70 2ron h ILE 230 N -1.14 0.92 -0.03 2.04 3.07 -1.32 -0.56 117.51 120.50 2ron h ILE 230 Ca -0.08 -0.26 -0.08 0.00 1.55 0.00 0.00 64.86 65.99 2ron h ILE 230 Cb 0.63 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 37.27 2ron h ILE 230 CO 0.13 0.14 -0.38 0.15 -1.05 0.00 0.00 178.15 177.14 2ron h PHE 231 N 0.75 0.06 0.83 0.16 3.04 -1.42 -2.05 116.94 118.31 2ron h PHE 231 Ca 0.37 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.26 2ron h PHE 231 Cb 0.31 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 38.81 2ron h PHE 231 CO -0.07 0.43 -0.40 0.00 -2.02 0.00 0.00 178.31 176.25 2ron h ALA 232 N 1.57 -1.11 -0.29 2.41 0.00 0.67 -1.56 119.26 120.94 2ron h ALA 232 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2ron h ALA 232 Cb 0.69 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2ron h ALA 232 CO 0.05 -1.12 -0.06 0.97 0.00 0.00 0.00 179.25 179.09 2ron h ILE 233 N -1.13 1.20 -0.67 0.00 6.09 -1.48 0.24 117.51 121.77 2ron h ILE 233 Ca -0.11 -0.86 0.02 0.00 -1.37 0.00 0.00 64.86 62.54 2ron h ILE 233 Cb 0.86 1.06 -0.04 0.00 0.47 0.00 0.00 36.82 39.16 2ron h ILE 233 CO 0.19 0.28 0.43 0.25 -3.07 0.00 0.00 178.15 176.23 2ron h LEU 234 N 0.44 0.72 0.00 2.19 7.12 -1.20 0.58 115.31 125.16 2ron h LEU 234 Ca 0.09 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.09 2ron h LEU 234 Cb 0.39 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2ron h LEU 234 CO 0.02 0.51 -0.71 -1.13 -0.13 0.00 0.00 178.44 177.00 2ron h ASN 235 N 0.86 0.00 -0.56 1.25 -1.24 -1.00 -3.29 115.58 111.60 2ron h ASN 235 Ca 0.26 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2ron h ASN 235 Cb -0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2ron h ASN 235 CO -0.08 0.10 0.00 0.00 -1.29 0.00 0.00 177.43 176.16 2ron n GLN 236 N -2.18 2.62 0.16 6.67 6.02 0.84 -4.57 117.38 126.94 2ron n GLN 236 Ca 0.03 -2.44 -0.15 0.00 -0.01 0.00 0.00 57.00 54.42 2ron n GLN 236 Cb 0.45 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 30.12 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 4.06 -1.21 0.12 1.08 2.76 0.07 -3.21 115.15 118.83 2ron h HIS 237 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2ron h HIS 237 Cb 0.95 0.50 0.00 0.00 1.55 0.00 0.00 27.41 30.41 2ron h HIS 237 CO 0.37 -0.55 -0.06 -1.00 -1.30 0.00 0.00 177.93 175.40 2ron h PRO 238 N -0.73 -0.16 -6.23 5.26 0.13 -1.86 -3.46 132.00 124.96 2ron h PRO 238 Ca 0.00 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.55 2ron h PRO 238 Cb 0.71 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 31.71 2ron h PRO 238 CO -0.19 0.27 -0.79 0.96 -0.23 0.00 0.00 178.00 178.02 2ron s ILE 239 N -4.16 2.13 -0.49 -3.56 -5.25 -1.21 -5.03 121.20 103.63 2ron s ILE 239 Ca -0.15 -2.06 0.15 0.00 -0.99 0.00 0.00 60.65 57.61 2ron s ILE 239 Cb 0.01 -2.04 0.76 0.00 2.95 0.00 0.00 42.46 44.15 2ron s ILE 239 CO 0.59 -0.26 1.68 2.30 -1.79 0.00 0.00 174.94 177.46 2ron n ILE 240 N 0.11 2.44 -1.45 8.37 -5.35 -1.26 -4.13 119.36 118.09 2ron n ILE 240 Ca -0.11 -1.40 -0.49 0.00 -0.27 0.00 0.00 62.75 60.48 2ron n ILE 240 Cb 0.57 -0.15 -0.07 0.00 -1.74 0.00 0.00 39.64 38.25 2ron n ILE 240 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 241 N 0.65 1.03 0.00 6.28 -0.06 -1.26 -5.09 117.38 118.92 2ron n GLN 241 Ca 0.26 0.26 0.08 0.00 -2.00 0.00 0.00 57.00 55.60 2ron n GLN 241 Cb 1.08 -2.49 0.47 0.00 -4.06 0.00 0.00 30.24 25.23 2ron n GLN 241 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51