#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 4.42 0.78 6.12 0.15 -1.24 -3.91 113.70 120.03 2ron s SER 2 Ca 0.00 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 2ron s SER 2 Cb 0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2ron s SER 2 CO 0.00 -3.21 1.09 -1.10 1.20 0.00 0.00 173.24 171.22 2ron s GLN 3 N 8.19 2.20 -0.28 5.44 -0.21 -1.24 -3.03 119.66 130.72 2ron s GLN 3 Ca 0.88 0.65 -0.22 0.00 0.02 0.00 0.00 55.36 56.69 2ron s GLN 3 Cb -0.13 -1.93 0.13 0.00 1.00 0.00 0.00 33.01 32.07 2ron s GLN 3 CO 0.14 -1.54 0.99 -0.48 -2.12 0.00 0.00 175.29 172.28 2ron s LEU 4 N -5.73 -0.50 0.03 2.90 2.34 -1.26 -0.09 118.68 116.36 2ron s LEU 4 Ca 0.60 0.90 -0.27 0.00 0.06 0.00 0.00 54.13 55.42 2ron s LEU 4 Cb -0.14 1.88 -0.05 0.00 -0.56 0.00 0.00 46.19 47.32 2ron s LEU 4 CO 0.54 -0.15 0.86 0.12 -1.06 0.00 0.00 176.35 176.66 2ron s PHE 5 N 0.67 3.70 0.06 3.48 5.36 0.33 -4.85 117.98 126.74 2ron s PHE 5 Ca -0.02 1.57 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 2ron s PHE 5 Cb -0.05 -2.96 -0.03 0.00 -0.34 0.00 0.00 43.02 39.65 2ron s PHE 5 CO -0.10 0.14 -0.08 -1.59 -1.46 0.00 0.00 175.22 172.14 2ron s LYS 6 N 0.41 0.62 -0.30 10.12 -2.85 -1.26 -0.24 119.74 126.24 2ron s LYS 6 Ca 0.44 -0.92 -0.03 0.00 -1.00 0.00 0.00 55.97 54.46 2ron s LYS 6 Cb -0.21 -0.28 0.19 0.00 -2.06 0.00 0.00 37.83 35.47 2ron s LYS 6 CO 0.25 0.03 0.81 -1.12 0.10 0.00 0.00 175.35 175.42 2ron s SER 7 N -1.98 -1.03 0.28 0.03 0.01 -0.24 -4.98 113.70 105.79 2ron s SER 7 Ca -0.04 0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2ron s SER 7 Cb -0.06 1.72 -0.03 0.00 0.21 0.00 0.00 66.02 67.86 2ron s SER 7 CO -0.01 -0.19 0.45 0.72 0.41 0.00 0.00 173.24 174.62 2ron s PHE 8 N 2.89 3.48 -0.20 2.43 -0.71 -1.26 -1.70 117.98 122.91 2ron s PHE 8 Ca 0.15 0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 56.23 2ron s PHE 8 Cb -0.08 -1.78 0.07 0.00 -1.21 0.00 0.00 43.02 40.01 2ron s PHE 8 CO -0.22 0.29 0.09 0.34 -1.34 0.00 0.00 175.22 174.37 2ron s ASP 9 N -3.80 2.74 -2.14 1.98 -1.08 -1.26 -4.82 116.67 108.29 2ron s ASP 9 Ca 0.38 -0.82 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 2ron s ASP 9 Cb -0.10 -0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.00 2ron s ASP 9 CO 0.32 -0.36 0.00 0.00 0.52 0.00 0.00 175.17 175.65 2ron n ALA 10 N 5.21 -0.31 -3.89 3.66 0.00 -1.26 -2.67 120.51 121.25 2ron n ALA 10 Ca -0.07 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 2ron n ALA 10 Cb 0.47 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.35 -2.60 0.00 0.00 3.41 -1.26 -4.93 113.62 106.89 2ron n SER 11 Ca -0.20 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2ron n SER 11 Cb 0.68 -2.91 0.00 0.00 -0.26 0.00 0.00 64.21 61.71 2ron n SER 11 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ron n GLU 12 N -4.42 0.00 -3.73 4.33 -0.58 -1.09 -4.87 120.64 110.28 2ron n GLU 12 Ca -0.20 0.50 -0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2ron n GLU 12 Cb 0.64 -1.08 -0.09 0.00 -0.57 0.00 0.00 31.44 30.33 2ron n GLU 12 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2ron s LYS 13 N -1.32 0.55 0.15 3.49 -2.85 -1.26 -4.76 119.74 113.74 2ron s LYS 13 Ca 0.00 0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 55.08 2ron s LYS 13 Cb 0.00 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 35.96 2ron s LYS 13 CO 0.00 -0.10 1.01 0.99 0.10 0.00 0.00 175.35 177.36 2ron s THR 14 N -0.16 4.21 -0.27 3.79 2.01 -1.22 -0.46 115.64 123.55 2ron s THR 14 Ca -0.03 1.90 -0.03 0.00 0.31 0.00 0.00 61.69 63.84 2ron s THR 14 Cb -0.03 -4.21 0.11 0.00 0.01 0.00 0.00 72.50 68.37 2ron s THR 14 CO 0.02 0.32 0.20 -1.10 -0.69 0.00 0.00 174.62 173.37 2ron s GLN 15 N -0.27 0.23 -0.12 4.92 -0.21 0.78 -1.27 119.66 123.71 2ron s GLN 15 Ca 0.47 -0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.57 2ron s GLN 15 Cb -0.26 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 2ron s GLN 15 CO 0.32 -0.93 0.10 -1.17 -2.12 0.00 0.00 175.29 171.48 2ron s LEU 16 N 2.24 4.12 0.33 2.90 0.20 0.56 -1.28 118.68 127.75 2ron s LEU 16 Ca 0.08 0.34 0.04 0.00 0.69 0.00 0.00 54.13 55.28 2ron s LEU 16 Cb -0.15 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2ron s LEU 16 CO -0.29 0.37 0.34 0.27 -0.29 0.00 0.00 176.35 176.75 2ron s ILE 17 N -0.81 0.00 -0.38 6.68 -4.36 0.11 -0.09 121.20 122.35 2ron s ILE 17 Ca 0.13 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.70 2ron s ILE 17 Cb -0.12 -2.55 0.16 0.00 1.25 0.00 0.00 42.46 41.21 2ron s ILE 17 CO 0.03 0.00 0.44 0.00 0.24 0.00 0.00 174.94 175.65 2ron n PHE 19 N 4.30 -1.46 -1.04 0.00 3.72 -1.26 -4.76 117.46 116.96 2ron n PHE 19 Ca 0.11 0.20 -0.29 0.00 -0.05 0.00 0.00 57.45 57.41 2ron n PHE 19 Cb 0.48 -2.92 0.25 0.00 -0.94 0.00 0.00 39.48 36.35 2ron n PHE 19 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ron n PRO 20 N -4.87 -3.11 -4.37 -1.08 -0.04 -1.26 -5.03 135.00 115.25 2ron n PRO 20 Ca -0.14 -1.71 -0.21 0.00 -0.04 0.00 0.00 63.50 61.41 2ron n PRO 20 Cb 0.58 -1.60 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 2ron n PRO 20 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ron s PHE 21 N -2.93 0.99 0.05 0.54 -0.71 -1.26 -5.07 117.98 109.60 2ron s PHE 21 Ca 0.69 -0.29 -0.22 0.00 -1.04 0.00 0.00 56.93 56.08 2ron s PHE 21 Cb -0.07 -0.75 -0.10 0.00 -1.21 0.00 0.00 43.02 40.89 2ron s PHE 21 CO 0.53 -0.16 1.34 0.00 -1.34 0.00 0.00 175.22 175.59 2ron h ALA 22 N 6.71 -0.96 -0.62 1.99 0.00 -1.98 -3.42 119.26 120.98 2ron h ALA 22 Ca -0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ron h ALA 22 Cb 1.17 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2ron h ALA 22 CO 0.48 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2ron n GLY 23 N -1.33 2.41 0.00 0.00 0.00 -1.26 -2.30 105.19 102.70 2ron n GLY 23 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.28 -0.02 0.00 -1.26 -4.55 105.19 99.63 2ron n GLY 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.48 0.00 1.61 -0.00 -1.90 -1.69 116.97 115.48 2ron h TYR 25 Ca 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.73 58.62 2ron h TYR 25 Cb 0.53 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 37.11 2ron h TYR 25 CO 0.00 0.45 -0.64 1.03 -0.00 0.00 0.00 178.16 179.00 2ron h SER 26 N 0.47 0.00 -0.11 0.10 0.87 -1.72 -2.14 113.55 111.02 2ron h SER 26 Ca 0.11 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 2ron h SER 26 Cb 0.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2ron h SER 26 CO 0.00 0.31 -0.51 0.00 -0.53 0.00 0.00 176.83 176.10 2ron h ALA 27 N 1.69 0.22 0.04 6.23 0.00 -1.48 -0.04 119.26 125.91 2ron h ALA 27 Ca -0.03 -0.51 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 2ron h ALA 27 Cb 1.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2ron h ALA 27 CO 0.03 0.40 -1.26 0.77 0.00 0.00 0.00 179.25 179.20 2ron h SER 28 N 0.16 0.12 1.20 0.00 0.02 -1.44 -3.30 113.55 110.31 2ron h SER 28 Ca -0.03 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.64 2ron h SER 28 Cb 1.15 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2ron h SER 28 CO 0.11 1.13 -0.61 0.15 -1.14 0.00 0.00 176.83 176.46 2ron h PHE 29 N 0.02 0.00 0.07 3.45 3.57 -1.46 -3.19 116.94 119.41 2ron h PHE 29 Ca -0.12 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.40 2ron h PHE 29 Cb 1.89 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.58 2ron h PHE 29 CO 0.02 0.61 -0.48 -0.09 -2.23 0.00 0.00 178.31 176.14 2ron h ARG 30 N 0.00 -0.65 0.00 1.11 2.43 -1.07 -1.37 114.38 114.83 2ron h ARG 30 Ca -0.01 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2ron h ARG 30 Cb 1.37 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2ron h ARG 30 CO 0.08 -0.44 -0.11 -1.00 -1.51 0.00 0.00 179.97 176.99 2ron h PRO 31 N -0.68 0.00 0.03 0.20 0.13 -1.72 -0.41 132.00 129.55 2ron h PRO 31 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2ron h PRO 31 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2ron h PRO 31 CO -0.30 0.11 -0.02 1.25 -0.23 0.00 0.00 178.00 178.82 2ron h LEU 32 N 0.00 -0.04 0.00 1.56 7.12 -1.28 -1.89 115.31 120.78 2ron h LEU 32 Ca -0.00 -0.27 -0.07 0.00 0.13 0.00 0.00 57.88 57.66 2ron h LEU 32 Cb 0.58 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 2ron h LEU 32 CO 0.01 0.25 -0.73 1.12 -0.13 0.00 0.00 178.44 178.97 2ron h HIS 33 N -0.33 0.00 0.00 1.25 2.07 -1.26 -1.95 115.15 114.93 2ron h HIS 33 Ca -0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 2ron h HIS 33 Cb 0.31 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 2ron h HIS 33 CO 0.02 0.29 -0.38 0.00 -3.07 0.00 0.00 177.93 174.80 2ron h ALA 34 N 1.71 1.06 0.00 6.11 0.00 -1.05 0.26 119.26 127.34 2ron h ALA 34 Ca -0.04 -0.35 -0.38 0.00 0.00 0.00 0.00 54.91 54.15 2ron h ALA 34 Cb 1.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2ron h ALA 34 CO 0.03 0.47 -2.43 0.34 0.00 0.00 0.00 179.25 177.66 2ron n PHE 35 N -3.63 0.00 0.71 0.00 7.35 -0.72 -4.36 117.46 116.82 2ron n PHE 35 Ca -0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.81 2ron n PHE 35 Cb 0.49 -0.98 0.40 0.00 0.35 0.00 0.00 39.48 39.74 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ron n LEU 36 N -3.14 0.62 -4.05 -2.13 7.94 -0.73 -4.91 117.00 110.59 2ron n LEU 36 Ca -0.43 0.47 -0.13 0.00 -1.11 0.00 0.00 56.01 54.82 2ron n LEU 36 Cb 1.01 -0.33 -0.04 0.00 0.53 0.00 0.00 43.42 44.60 2ron n LEU 36 CO 0.29 -0.11 0.17 -1.10 -1.11 0.00 0.00 177.39 175.53 2ron s GLN 37 N -3.09 1.82 -0.07 1.96 -0.21 0.92 -5.01 119.66 115.98 2ron s GLN 37 Ca 0.11 -1.60 -0.29 0.00 0.02 0.00 0.00 55.36 53.59 2ron s GLN 37 Cb 0.14 0.46 0.11 0.00 1.00 0.00 0.00 33.01 34.72 2ron s GLN 37 CO 0.61 -0.76 0.91 0.20 -2.12 0.00 0.00 175.29 174.13 2ron s GLY 38 N -3.17 -0.40 -1.17 3.09 0.00 -1.26 -4.16 107.32 100.26 2ron s GLY 38 Ca 0.28 1.43 -0.15 0.00 0.00 0.00 0.00 44.72 46.27 2ron s GLY 38 CO 0.16 0.66 0.77 1.18 0.00 0.00 0.00 173.10 175.87 2ron n GLU 39 N 0.24 -1.91 -3.59 2.90 1.02 -1.26 -4.94 120.64 113.10 2ron n GLU 39 Ca -0.10 0.52 -0.36 0.00 -0.02 0.00 0.00 57.16 57.19 2ron n GLU 39 Cb 0.60 -4.47 -0.06 0.00 -0.02 0.00 0.00 31.44 27.49 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ron s GLU 41 N -1.52 3.96 0.13 0.00 -6.30 0.40 -4.65 118.70 110.72 2ron s GLU 41 Ca 0.28 1.81 0.06 0.00 -2.50 0.00 0.00 54.97 54.62 2ron s GLU 41 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 34.13 29.96 2ron s GLU 41 CO 0.15 -1.09 -0.03 0.00 0.02 0.00 0.00 175.26 174.31 2ron s MET 42 N 4.35 2.37 -0.22 4.30 0.23 -0.69 -0.16 119.30 129.49 2ron s MET 42 Ca 0.70 -1.00 -0.27 0.00 -1.03 0.00 0.00 55.69 54.09 2ron s MET 42 Cb -0.27 -2.40 0.08 0.00 -1.53 0.00 0.00 34.83 30.71 2ron s MET 42 CO 0.27 0.50 0.76 -0.48 -2.03 0.00 0.00 175.02 174.04 2ron s LEU 43 N -2.54 -0.68 -0.05 0.18 0.05 -0.40 -1.07 118.68 114.17 2ron s LEU 43 Ca 0.25 1.17 0.00 0.00 0.05 0.00 0.00 54.13 55.60 2ron s LEU 43 Cb -0.11 2.39 0.02 0.00 -2.05 0.00 0.00 46.19 46.45 2ron s LEU 43 CO 0.17 -0.33 -0.03 0.00 -0.55 0.00 0.00 176.35 175.62 2ron s ALA 44 N -0.07 0.62 0.63 1.48 0.00 0.67 0.08 121.76 125.17 2ron s ALA 44 Ca -0.02 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 2ron s ALA 44 Cb -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 2ron s ALA 44 CO 0.02 -0.12 0.75 0.00 0.00 0.00 0.00 175.76 176.42 2ron n ALA 45 N 4.29 -0.57 -2.31 0.00 0.00 -0.99 -0.51 120.51 120.42 2ron n ALA 45 Ca -0.21 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 2ron n ALA 45 Cb 0.51 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.62 1.23 0.11 0.00 2.02 0.88 -4.68 118.70 115.64 2ron s GLU 46 Ca 0.72 -1.56 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 2ron s GLU 46 Cb -0.40 -0.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.92 2ron s GLU 46 CO 0.51 0.08 1.37 -1.25 0.02 0.00 0.00 175.26 175.99 2ron s PRO 47 N -3.73 4.33 1.05 0.39 0.04 -1.26 -3.70 135.00 132.13 2ron s PRO 47 Ca 0.21 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 2ron s PRO 47 Cb 0.02 -3.26 0.26 0.00 0.04 0.00 0.00 34.50 31.56 2ron s PRO 47 CO 0.05 -0.41 0.93 -0.35 0.04 0.00 0.00 177.00 177.26 2ron n PRO 48 N 3.94 -2.84 -0.02 0.56 -0.04 -1.26 -4.47 135.00 130.87 2ron n PRO 48 Ca 0.11 -1.49 -0.05 0.00 -0.04 0.00 0.00 63.50 62.03 2ron n PRO 48 Cb 0.43 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2ron n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ron n GLY 49 N -3.70 -0.10 0.00 0.55 0.00 -1.25 -4.92 105.19 95.77 2ron n GLY 49 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 2ron n GLY 49 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ron n HIS 50 N -3.33 0.00 -3.83 1.61 -0.00 -1.26 -4.92 115.22 103.49 2ron n HIS 50 Ca -0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.33 2ron n HIS 50 Cb 0.49 -0.03 0.02 0.00 -0.00 0.00 0.00 29.99 30.47 2ron n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ron n GLY 51 N 3.31 -0.49 0.14 1.57 0.00 -1.26 -4.84 105.19 103.62 2ron n GLY 51 Ca -0.01 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.53 0.90 0.05 2.61 5.66 -1.26 -4.87 114.28 112.84 2ron n THR 52 Ca 0.03 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 2ron n THR 52 Cb 0.53 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 2ron n THR 52 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2ron n ASN 53 N -0.62 0.34 -2.94 1.09 6.94 -1.26 -5.13 115.26 113.69 2ron n ASN 53 Ca 0.05 0.16 -0.10 0.00 -0.02 0.00 0.00 54.58 54.68 2ron n ASN 53 Cb 0.53 -0.02 0.02 0.00 -2.36 0.00 0.00 39.78 37.94 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ron s GLN 54 N -1.57 2.21 0.05 -3.83 -2.07 -1.26 -5.12 119.66 108.07 2ron s GLN 54 Ca 0.00 -1.49 0.01 0.00 -1.82 0.00 0.00 55.36 52.06 2ron s GLN 54 Cb 0.00 0.61 -0.03 0.00 -1.09 0.00 0.00 33.01 32.50 2ron s GLN 54 CO 0.00 -1.02 -0.05 -0.08 -1.32 0.00 0.00 175.29 172.81 2ron s THR 55 N -2.36 0.38 0.20 3.63 -1.32 -1.26 -3.59 115.64 111.33 2ron s THR 55 Ca 0.17 -1.38 -0.11 0.00 -1.21 0.00 0.00 61.69 59.16 2ron s THR 55 Cb -0.05 -0.95 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 2ron s THR 55 CO 0.13 -0.66 1.71 0.77 -2.21 0.00 0.00 174.62 174.36 2ron h SER 56 N 3.90 0.00 -1.93 8.08 4.64 -1.89 -3.46 113.55 122.89 2ron h SER 56 Ca -0.34 0.10 -0.36 0.00 -0.47 0.00 0.00 61.79 60.71 2ron h SER 56 Cb 1.18 0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 63.35 2ron h SER 56 CO 0.52 0.02 -0.42 0.00 -0.87 0.00 0.00 176.83 176.08 2ron n ALA 57 N -2.56 -0.44 -2.86 5.18 0.00 -1.26 -2.98 120.51 115.59 2ron n ALA 57 Ca 0.07 0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 2ron n ALA 57 Cb 0.28 -1.92 0.05 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.44 -7.39 -1.20 0.00 5.41 -1.26 -4.81 119.36 106.66 2ron n ILE 58 Ca -0.20 -1.04 0.04 0.00 1.00 0.00 0.00 62.75 62.54 2ron n ILE 58 Cb 0.64 -5.76 0.22 0.00 -0.71 0.00 0.00 39.64 34.03 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ron n GLU 59 N -2.83 2.22 -0.12 0.38 -0.58 -1.16 -4.67 120.64 113.89 2ron n GLU 59 Ca -0.05 -2.96 -0.11 0.00 -0.42 0.00 0.00 57.16 53.62 2ron n GLU 59 Cb 0.59 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2ron h ASP 60 N 1.21 0.58 0.04 1.62 2.03 -1.92 -0.69 116.42 119.28 2ron h ASP 60 Ca 0.09 -0.30 0.01 0.00 -0.73 0.00 0.00 57.03 56.10 2ron h ASP 60 Cb 1.46 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 39.77 2ron h ASP 60 CO 0.25 0.73 -0.28 0.25 -1.03 0.00 0.00 179.24 179.17 2ron h LEU 61 N 0.40 -0.84 -0.73 0.15 6.46 -1.99 0.24 115.31 119.00 2ron h LEU 61 Ca 0.10 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2ron h LEU 61 Cb 0.43 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 2ron h LEU 61 CO 0.02 -0.28 0.47 -0.08 -0.62 0.00 0.00 178.44 177.94 2ron h GLU 62 N -0.38 0.90 0.00 1.25 4.57 -1.91 0.28 114.58 119.29 2ron h GLU 62 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2ron h GLU 62 Cb 0.39 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2ron h GLU 62 CO -0.16 0.60 0.00 -1.91 -1.18 0.00 0.00 179.01 176.35 2ron n GLU 63 N -4.62 0.00 -0.09 1.92 4.07 -0.27 -0.13 120.64 121.51 2ron n GLU 63 Ca 0.08 0.51 -0.06 0.00 -0.06 0.00 0.00 57.16 57.62 2ron n GLU 63 Cb 0.07 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2ron n GLU 63 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ron h LEU 64 N 0.00 -0.65 -2.10 4.31 3.38 -0.55 0.33 115.31 120.02 2ron h LEU 64 Ca 0.00 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2ron h LEU 64 Cb 0.00 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2ron h LEU 64 CO 0.00 -0.23 0.32 0.74 0.09 0.00 0.00 178.44 179.36 2ron h THR 65 N -0.14 0.41 0.06 0.22 2.02 -0.91 0.46 112.91 115.03 2ron h THR 65 Ca 0.17 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.15 2ron h THR 65 Cb 0.41 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2ron h THR 65 CO -0.43 0.00 -1.07 -0.78 0.37 0.00 0.00 175.52 173.61 2ron h ASP 66 N 0.00 0.19 0.39 4.18 3.58 0.29 0.25 116.42 125.30 2ron h ASP 66 Ca 0.13 -0.78 0.00 0.00 0.42 0.00 0.00 57.03 56.80 2ron h ASP 66 Cb 0.77 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2ron h ASP 66 CO -0.00 1.45 0.00 -0.11 -2.88 0.00 0.00 179.24 177.70 2ron n LEU 67 N -4.22 0.07 -0.03 2.28 7.94 0.76 -0.08 117.00 123.73 2ron n LEU 67 Ca -0.24 0.52 -0.07 0.00 -1.11 0.00 0.00 56.01 55.11 2ron n LEU 67 Cb 0.75 -0.51 -0.02 0.00 0.53 0.00 0.00 43.42 44.16 2ron n LEU 67 CO 0.33 -0.35 -0.62 -1.22 -1.11 0.00 0.00 177.39 174.42 2ron n TYR 68 N -1.58 0.00 -0.56 1.96 4.02 0.07 -4.68 117.16 116.38 2ron n TYR 68 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.84 2ron n TYR 68 Cb 0.13 -0.25 0.21 0.00 -0.02 0.00 0.00 39.34 39.42 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 -3.46 2.85 -0.38 -0.72 4.76 0.87 -4.57 118.16 117.51 2ron n LYS 69 Ca -0.12 -2.31 0.31 0.00 -2.87 0.00 0.00 58.31 53.31 2ron n LYS 69 Cb 0.49 -1.97 0.58 0.00 -1.84 0.00 0.00 35.03 32.28 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2ron h GLN 70 N 1.77 0.16 -5.93 1.97 4.15 -0.56 -3.35 115.11 113.32 2ron h GLN 70 Ca 0.26 -0.01 -0.57 0.00 0.77 0.00 0.00 58.65 59.11 2ron h GLN 70 Cb 2.06 -0.04 -0.27 0.00 0.21 0.00 0.00 27.48 29.44 2ron h GLN 70 CO 0.63 0.10 -0.84 -1.83 -1.93 0.00 0.00 178.83 174.96 2ron s GLU 71 N -5.47 1.41 -1.04 1.69 1.03 -1.26 -4.83 118.70 110.23 2ron s GLU 71 Ca -0.09 -0.83 -0.08 0.00 0.03 0.00 0.00 54.97 54.00 2ron s GLU 71 Cb 0.30 -1.45 -0.05 0.00 -0.80 0.00 0.00 34.13 32.13 2ron s GLU 71 CO 0.80 0.38 0.88 1.28 -1.33 0.00 0.00 175.26 177.27 2ron n LEU 72 N 2.13 -5.21 -4.77 1.83 7.99 -1.26 -5.01 117.00 112.70 2ron n LEU 72 Ca -0.16 -0.72 -0.27 0.00 -0.01 0.00 0.00 56.01 54.85 2ron n LEU 72 Cb 0.53 -3.06 -0.06 0.00 -0.11 0.00 0.00 43.42 40.72 2ron n LEU 72 CO 0.23 0.08 -0.24 0.54 -1.51 0.00 0.00 177.39 176.49 2ron s ASN 73 N -3.37 5.39 0.00 -1.43 4.22 -1.26 -5.01 114.94 113.49 2ron s ASN 73 Ca 0.43 -0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.99 2ron s ASN 73 Cb -0.08 -1.37 0.00 0.00 1.28 0.00 0.00 41.25 41.08 2ron s ASN 73 CO 0.76 0.09 0.00 0.18 -2.04 0.00 0.00 177.10 176.09 2ron n LEU 74 N -0.18 0.00 -3.50 3.54 7.99 -1.26 -5.13 117.00 118.46 2ron n LEU 74 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.81 2ron n LEU 74 Cb 0.54 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.49 2ron n LEU 74 CO 0.43 -0.46 0.49 -0.13 -1.51 0.00 0.00 177.39 176.20 2ron s ARG 75 N -0.93 1.22 0.00 3.23 0.52 -1.26 -5.18 118.95 116.55 2ron s ARG 75 Ca 0.00 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2ron s ARG 75 Cb 0.00 0.53 0.00 0.00 0.52 0.00 0.00 34.95 36.00 2ron s ARG 75 CO 0.00 -0.54 0.00 -0.35 0.02 0.00 0.00 175.30 174.43 2ron n PRO 76 N -0.36 -0.45 -2.96 3.54 -0.04 -1.26 -4.98 135.00 128.49 2ron n PRO 76 Ca -0.13 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 2ron n PRO 76 Cb 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 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 7.03 0.00 3.54 1.11 -1.26 -4.99 116.67 120.60 2ron s ASP 77 Ca 0.00 1.24 -0.25 0.00 0.18 0.00 0.00 52.55 53.73 2ron s ASP 77 Cb 0.00 -2.44 -0.14 0.00 1.07 0.00 0.00 42.92 41.41 2ron s ASP 77 CO 0.00 -0.21 1.05 0.03 1.18 0.00 0.00 175.17 177.22 2ron h ARG 78 N 6.93 -0.79 -7.34 8.23 3.08 -1.92 -3.46 114.38 119.12 2ron h ARG 78 Ca -0.38 0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.24 2ron h ARG 78 Cb 1.18 0.18 0.15 0.00 0.08 0.00 0.00 29.97 31.56 2ron h ARG 78 CO 0.77 -0.50 0.25 -1.25 -1.07 0.00 0.00 179.97 178.17 2ron s PRO 79 N -4.47 1.24 -0.29 0.04 0.04 -1.26 -4.61 135.00 125.69 2ron s PRO 79 Ca -0.13 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 61.57 2ron s PRO 79 Cb 0.01 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.89 2ron s PRO 79 CO 0.41 -2.25 0.93 0.12 0.04 0.00 0.00 177.00 176.25 2ron s PHE 80 N -2.94 -0.70 -0.13 0.56 5.36 -0.82 -3.38 117.98 115.93 2ron s PHE 80 Ca 0.63 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.94 2ron s PHE 80 Cb -0.18 0.42 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 2ron s PHE 80 CO 0.57 -0.35 -0.17 0.14 -1.46 0.00 0.00 175.22 173.95 2ron s VAL 81 N 1.77 1.70 -0.31 3.12 -7.23 -0.40 -3.76 120.40 115.30 2ron s VAL 81 Ca -0.07 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2ron s VAL 81 Cb -0.05 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.38 2ron s VAL 81 CO -0.16 0.48 0.06 -0.22 -0.31 0.00 0.00 175.10 174.94 2ron s LEU 82 N 1.07 4.01 -0.76 1.32 0.20 -1.23 -0.32 118.68 122.96 2ron s LEU 82 Ca -0.03 -1.07 -0.13 0.00 0.69 0.00 0.00 54.13 53.58 2ron s LEU 82 Cb -0.14 -1.81 0.20 0.00 -0.43 0.00 0.00 46.19 44.01 2ron s LEU 82 CO -0.04 -0.27 0.68 -0.36 -0.29 0.00 0.00 176.35 176.08 2ron s PHE 83 N 1.37 3.65 0.00 5.38 0.08 0.87 -4.07 117.98 125.26 2ron s PHE 83 Ca -0.02 -1.98 0.00 0.00 0.12 0.00 0.00 56.93 55.05 2ron s PHE 83 Cb -0.19 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 2ron s PHE 83 CO 0.01 -0.98 0.00 0.41 -0.10 0.00 0.00 175.22 174.56 2ron n GLY 84 N 4.10 0.69 3.25 4.36 0.00 -1.26 -2.59 105.19 113.74 2ron n GLY 84 Ca 0.09 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 2ron n GLY 84 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ron s HIS 85 N 1.07 1.26 0.67 1.61 -3.43 -1.26 -4.84 115.29 110.36 2ron s HIS 85 Ca 0.00 -0.86 0.42 0.00 -0.80 0.00 0.00 55.06 53.82 2ron s HIS 85 Cb 0.00 -0.69 2.29 0.00 -1.43 0.00 0.00 32.58 32.75 2ron s HIS 85 CO 0.00 -0.03 2.30 0.66 -2.00 0.00 0.00 174.74 175.66 2ron h SER 86 N 2.73 0.00 0.01 7.38 4.64 -1.99 -3.08 113.55 123.24 2ron h SER 86 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2ron h SER 86 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2ron h SER 86 CO 0.64 0.00 -0.07 0.24 -0.87 0.00 0.00 176.83 176.77 2ron h MET 87 N 0.00 -0.09 0.00 4.77 2.86 -2.01 -3.49 114.93 116.97 2ron h MET 87 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ron h MET 87 Cb 0.12 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2ron h MET 87 CO -0.00 -0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.32 2ron n GLY 88 N -1.06 2.01 0.00 8.32 0.00 -1.17 -5.11 105.19 108.18 2ron n GLY 88 Ca -0.01 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.42 -1.81 0.16 -0.02 0.00 -1.26 -4.82 105.19 96.03 2ron n GLY 89 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 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 0.48 -0.17 1.61 -0.00 -1.97 -2.46 114.93 112.41 2ron h MET 90 Ca 0.00 -0.23 -0.16 0.00 -0.00 0.00 0.00 59.70 59.32 2ron h MET 90 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2ron h MET 90 CO 0.00 0.78 -0.55 -0.84 -0.00 0.00 0.00 176.91 176.30 2ron h ILE 91 N 0.18 1.33 0.58 -0.10 3.07 -1.97 -0.99 117.51 119.61 2ron h ILE 91 Ca 0.04 -1.81 -0.03 0.00 1.55 0.00 0.00 64.86 64.62 2ron h ILE 91 Cb 0.66 1.79 0.01 0.00 -0.27 0.00 0.00 36.82 39.00 2ron h ILE 91 CO 0.04 0.56 -0.28 0.71 -1.05 0.00 0.00 178.15 178.13 2ron h THR 92 N 0.40 0.43 -0.26 0.16 1.35 -1.95 -2.52 112.91 110.52 2ron h THR 92 Ca 0.01 -0.02 -0.11 0.00 -0.55 0.00 0.00 66.41 65.74 2ron h THR 92 Cb 1.09 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2ron h THR 92 CO 0.10 0.00 -0.31 0.15 -0.25 0.00 0.00 175.52 175.22 2ron h PHE 93 N -0.79 0.61 -0.34 4.73 3.04 -1.50 -2.13 116.94 120.56 2ron h PHE 93 Ca -0.08 -0.15 0.08 0.00 3.98 0.00 0.00 57.97 61.80 2ron h PHE 93 Cb 0.60 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.89 2ron h PHE 93 CO -0.03 0.79 -0.19 -0.09 -2.02 0.00 0.00 178.31 176.76 2ron h ARG 94 N 0.46 -0.14 -0.19 1.11 9.65 -1.03 0.26 114.38 124.51 2ron h ARG 94 Ca 0.06 0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.76 2ron h ARG 94 Cb 0.77 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.38 2ron h ARG 94 CO 0.06 -0.09 -0.59 -0.07 2.80 0.00 0.00 179.97 182.08 2ron h LEU 95 N -0.14 0.85 0.31 3.80 -0.00 -1.42 -2.15 115.31 116.56 2ron h LEU 95 Ca 0.17 -0.59 -0.01 0.00 -0.00 0.00 0.00 57.88 57.45 2ron h LEU 95 Cb 0.41 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2ron h LEU 95 CO -0.43 1.29 -0.25 0.00 -0.00 0.00 0.00 178.44 179.05 2ron h ALA 96 N 0.58 -1.00 0.18 1.53 0.00 -0.77 0.31 119.26 120.09 2ron h ALA 96 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ron h ALA 96 Cb 1.21 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2ron h ALA 96 CO 0.13 -1.00 -0.29 0.37 0.00 0.00 0.00 179.25 178.46 2ron h GLN 97 N -0.53 -0.52 -0.76 0.00 5.75 -0.62 -0.61 115.11 117.81 2ron h GLN 97 Ca -0.04 0.04 0.16 0.00 -0.15 0.00 0.00 58.65 58.65 2ron h GLN 97 Cb 0.45 0.12 -0.10 0.00 1.07 0.00 0.00 27.48 29.01 2ron h GLN 97 CO 0.00 -0.35 0.25 -0.22 -2.65 0.00 0.00 178.83 175.87 2ron h LYS 98 N -0.54 0.35 -0.18 1.69 3.11 -1.38 0.32 116.57 119.93 2ron h LYS 98 Ca 0.02 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 2ron h LYS 98 Cb 0.54 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2ron h LYS 98 CO -0.13 0.23 -0.13 1.25 -2.81 0.00 0.00 179.45 177.86 2ron h LEU 99 N 0.36 0.28 0.04 5.20 5.85 0.19 0.27 115.31 127.50 2ron h LEU 99 Ca 0.43 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2ron h LEU 99 Cb 0.71 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2ron h LEU 99 CO -0.46 0.44 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.98 2ron h GLU 100 N 0.28 -0.05 -0.50 1.25 4.57 0.10 -0.65 114.58 119.58 2ron h GLU 100 Ca 0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2ron h GLU 100 Cb 0.41 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2ron h GLU 100 CO 0.02 0.55 0.02 0.07 -1.18 0.00 0.00 179.01 178.50 2ron h ARG 101 N -0.72 0.87 0.00 1.92 0.11 -0.60 0.25 114.38 116.21 2ron h ARG 101 Ca -0.01 -0.27 -0.10 0.00 0.10 0.00 0.00 59.98 59.71 2ron h ARG 101 Cb 0.63 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2ron h ARG 101 CO 0.01 0.89 -0.48 1.05 0.10 0.00 0.00 179.97 181.55 2ron h GLU 102 N 0.74 0.00 0.00 0.08 -0.00 -0.56 -3.29 114.58 111.56 2ron h GLU 102 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.47 2ron h GLU 102 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.23 2ron h GLU 102 CO 0.02 0.48 -0.19 0.78 -0.00 0.00 0.00 179.01 180.10 2ron h GLY 103 N 1.50 0.00 -6.55 1.06 0.00 -0.83 -3.46 103.07 94.78 2ron h GLY 103 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 2ron h GLY 103 CO 0.06 0.00 -0.54 -0.42 0.00 0.00 0.00 176.54 175.65 2ron s ILE 104 N -2.11 -0.47 0.01 2.60 1.01 0.86 -5.05 121.20 118.06 2ron s ILE 104 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 2ron s ILE 104 Cb -0.01 -0.68 -0.16 0.00 0.01 0.00 0.00 42.46 41.63 2ron s ILE 104 CO 0.52 -0.09 1.18 0.15 0.00 0.00 0.00 174.94 176.70 2ron h PHE 105 N 8.25 -0.60 -0.76 3.97 3.57 -1.74 -3.39 116.94 126.24 2ron h PHE 105 Ca -0.17 -0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.01 2ron h PHE 105 Cb 1.14 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 2ron h PHE 105 CO 0.19 -0.28 0.76 -1.25 -2.23 0.00 0.00 178.31 175.50 2ron s PRO 106 N -4.68 2.56 0.53 6.41 0.04 -1.26 -4.95 135.00 133.66 2ron s PRO 106 Ca -0.14 -0.26 0.09 0.00 0.04 0.00 0.00 61.00 60.73 2ron s PRO 106 Cb 0.02 -5.04 0.06 0.00 0.04 0.00 0.00 34.50 29.58 2ron s PRO 106 CO 0.49 -3.35 0.72 -0.65 0.04 0.00 0.00 177.00 174.24 2ron s GLN 107 N 7.00 2.44 0.00 4.56 -0.21 -1.26 -4.85 119.66 127.34 2ron s GLN 107 Ca 0.70 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 54.53 2ron s GLN 107 Cb -0.07 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.29 2ron s GLN 107 CO -0.00 -0.69 0.00 0.00 -2.12 0.00 0.00 175.29 172.47 2ron n ALA 108 N -2.12 1.90 -2.78 6.09 0.00 -1.26 -4.95 120.51 117.39 2ron n ALA 108 Ca 0.13 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 2ron n ALA 108 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.37 4.66 -0.08 0.00 -7.23 -1.26 -3.68 120.40 112.44 2ron s VAL 109 Ca 0.00 -0.10 -0.17 0.00 -1.81 0.00 0.00 61.98 59.90 2ron s VAL 109 Cb 0.00 -3.02 0.04 0.00 0.56 0.00 0.00 36.38 33.96 2ron s VAL 109 CO 0.00 0.56 0.40 -0.63 -0.31 0.00 0.00 175.10 175.12 2ron s ILE 110 N -0.48 0.03 -0.05 -0.62 1.01 -0.82 -1.95 121.20 118.32 2ron s ILE 110 Ca 0.10 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.59 2ron s ILE 110 Cb -0.12 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 2ron s ILE 110 CO 0.02 -0.12 -0.22 -0.51 0.00 0.00 0.00 174.94 174.11 2ron s ILE 111 N -0.65 1.81 -0.26 2.92 -1.16 -1.25 -2.72 121.20 119.90 2ron s ILE 111 Ca -0.07 -0.93 -0.03 0.00 -0.51 0.00 0.00 60.65 59.10 2ron s ILE 111 Cb -0.04 -1.54 0.02 0.00 0.61 0.00 0.00 42.46 41.52 2ron s ILE 111 CO 0.03 0.51 -0.03 -0.94 -2.81 0.00 0.00 174.94 171.71 2ron s SER 112 N -0.12 4.50 0.40 4.50 1.04 -0.79 -3.56 113.70 119.67 2ron s SER 112 Ca -0.03 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.66 2ron s SER 112 Cb -0.13 -1.72 -0.07 0.00 0.10 0.00 0.00 66.02 64.20 2ron s SER 112 CO 0.03 -0.13 0.02 0.00 0.98 0.00 0.00 173.24 174.13 2ron s ALA 113 N 1.38 3.09 -0.81 5.32 0.00 -1.26 -2.22 121.76 127.25 2ron s ALA 113 Ca 0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 51.96 49.76 2ron s ALA 113 Cb -0.17 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2ron s ALA 113 CO -0.03 -0.15 0.71 -0.89 0.00 0.00 0.00 175.76 175.41 2ron n ILE 114 N -0.94 -7.02 -3.43 0.00 5.41 -1.26 -4.73 119.36 107.39 2ron n ILE 114 Ca -0.05 -0.97 -0.44 0.00 1.00 0.00 0.00 62.75 62.29 2ron n ILE 114 Cb 0.67 -5.58 -0.05 0.00 -0.71 0.00 0.00 39.64 33.97 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -4.16 3.07 1.03 0.38 -0.21 -1.26 -4.55 119.66 113.96 2ron s GLN 115 Ca 0.32 -2.16 -0.13 0.00 0.02 0.00 0.00 55.36 53.41 2ron s GLN 115 Cb -0.04 -4.19 0.20 0.00 1.00 0.00 0.00 33.01 29.99 2ron s GLN 115 CO 0.57 -1.26 1.09 -1.25 -2.12 0.00 0.00 175.29 172.32 2ron s PRO 116 N 0.70 0.17 -1.03 2.91 0.04 -1.26 -0.72 135.00 135.81 2ron s PRO 116 Ca 0.12 0.43 -0.24 0.00 0.04 0.00 0.00 61.00 61.35 2ron s PRO 116 Cb -0.20 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2ron s PRO 116 CO -0.04 -2.89 1.94 -1.25 0.04 0.00 0.00 177.00 174.81 2ron s PRO 117 N -5.01 2.53 -0.29 0.56 0.04 -1.26 -4.79 135.00 126.78 2ron s PRO 117 Ca 0.66 -0.69 -0.24 0.00 0.04 0.00 0.00 61.00 60.76 2ron s PRO 117 Cb -0.18 -5.15 0.14 0.00 0.04 0.00 0.00 34.50 29.36 2ron s PRO 117 CO 0.58 -3.66 1.14 -3.38 0.04 0.00 0.00 177.00 171.72 2ron s HIS 118 N 10.51 -0.37 0.15 0.56 -3.43 -1.26 -3.94 115.29 117.52 2ron s HIS 118 Ca 0.69 0.88 -0.08 0.00 -0.80 0.00 0.00 55.06 55.76 2ron s HIS 118 Cb -0.04 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.49 2ron s HIS 118 CO 0.06 -0.18 0.25 0.96 -2.00 0.00 0.00 174.74 173.82 2ron s ILE 119 N 0.25 0.08 0.18 -5.38 -0.00 -1.26 -4.30 121.20 110.77 2ron s ILE 119 Ca 0.03 -1.43 -0.30 0.00 -0.00 0.00 0.00 60.65 58.95 2ron s ILE 119 Cb -0.05 -1.82 -0.08 0.00 -0.00 0.00 0.00 42.46 40.52 2ron s ILE 119 CO -0.09 -0.36 1.09 -1.58 -0.00 0.00 0.00 174.94 174.00 2ron s GLN 120 N -3.97 4.61 0.05 0.37 2.00 -1.26 -4.75 119.66 116.71 2ron s GLN 120 Ca 0.17 1.70 -0.31 0.00 -2.00 0.00 0.00 55.36 54.92 2ron s GLN 120 Cb 0.04 -3.28 -0.06 0.00 0.80 0.00 0.00 33.01 30.51 2ron s GLN 120 CO -0.01 0.10 1.27 -0.98 -0.50 0.00 0.00 175.29 175.18 2ron s ARG 121 N -0.44 4.38 0.35 1.67 1.70 -1.24 -4.92 118.95 120.45 2ron s ARG 121 Ca 0.49 1.85 -0.16 0.00 -0.47 0.00 0.00 55.73 57.44 2ron s ARG 121 Cb -0.29 -3.39 0.04 0.00 -0.57 0.00 0.00 34.95 30.74 2ron s ARG 121 CO 0.35 -0.37 0.73 -1.59 -1.08 0.00 0.00 175.30 173.34 2ron s LYS 122 N 1.41 2.06 -0.08 3.89 -2.85 -1.26 -5.10 119.74 117.81 2ron s LYS 122 Ca 0.60 -1.35 -0.20 0.00 -1.00 0.00 0.00 55.97 54.03 2ron s LYS 122 Cb -0.31 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2ron s LYS 122 CO 0.28 -0.95 0.57 0.21 0.10 0.00 0.00 175.35 175.57 2ron s LYS 123 N -2.88 4.36 0.32 1.78 2.20 -1.26 -4.88 119.74 119.38 2ron s LYS 123 Ca 0.16 0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 56.34 2ron s LYS 123 Cb -0.05 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 2ron s LYS 123 CO 0.11 0.17 0.51 0.14 -0.36 0.00 0.00 175.35 175.92 2ron s VAL 124 N 0.52 0.00 -0.08 4.02 -7.23 -1.26 -5.07 120.40 111.31 2ron s VAL 124 Ca 0.31 -1.48 0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2ron s VAL 124 Cb -0.16 -2.56 0.28 0.00 0.56 0.00 0.00 36.38 34.50 2ron s VAL 124 CO 0.14 0.00 1.13 -1.20 -0.31 0.00 0.00 175.10 174.86 2ron n SER 125 N -1.13 1.20 0.00 4.85 7.64 -1.26 -4.89 113.62 120.03 2ron n SER 125 Ca -0.01 -2.68 -0.00 0.00 1.01 0.00 0.00 58.87 57.18 2ron n SER 125 Cb 0.61 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2ron h HIS 126 N 0.51 -0.01 -4.16 1.43 -0.00 -2.00 -3.48 115.15 107.44 2ron h HIS 126 Ca -0.06 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.17 2ron h HIS 126 Cb 1.36 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.62 2ron h HIS 126 CO 0.25 -0.01 -0.68 -0.51 -0.00 0.00 0.00 177.93 176.98 2ron s LEU 127 N -4.11 2.48 0.16 0.26 1.43 -1.26 -5.03 118.68 112.60 2ron s LEU 127 Ca -0.00 -0.97 0.20 0.00 -1.03 0.00 0.00 54.13 52.33 2ron s LEU 127 Cb 0.00 0.15 0.83 0.00 0.03 0.00 0.00 46.19 47.21 2ron s LEU 127 CO 0.00 -0.56 1.61 -0.81 0.23 0.00 0.00 176.35 176.82 2ron n PRO 128 N 0.19 0.12 -0.08 1.29 -0.04 -1.26 -1.92 135.00 133.30 2ron n PRO 128 Ca -0.14 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 2ron n PRO 128 Cb 0.61 -1.73 0.25 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.95 2.69 -0.21 3.54 8.00 -1.26 -4.33 116.55 123.03 2ron n ASP 129 Ca 0.03 -1.87 -0.05 0.00 0.71 0.00 0.00 54.79 53.60 2ron n ASP 129 Cb 0.20 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.25 2ron n ASP 129 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ron h ASP 130 N 3.83 0.66 -0.45 -2.24 5.19 -1.80 -2.04 116.42 119.57 2ron h ASP 130 Ca 0.00 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2ron h ASP 130 Cb 0.83 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2ron h ASP 130 CO 0.00 0.47 0.16 0.06 -3.12 0.00 0.00 179.24 176.81 2ron h GLN 131 N 0.78 0.68 0.18 3.56 3.07 -1.80 0.27 115.11 121.84 2ron h GLN 131 Ca 0.23 -0.13 0.01 0.00 0.09 0.00 0.00 58.65 58.85 2ron h GLN 131 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 27.38 2ron h GLN 131 CO -0.07 0.63 -0.30 0.74 0.09 0.00 0.00 178.83 179.93 2ron h PHE 132 N 0.58 -0.80 0.00 0.06 0.04 -1.74 -1.75 116.94 113.33 2ron h PHE 132 Ca 0.15 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2ron h PHE 132 Cb 0.22 0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2ron h PHE 132 CO 0.01 -0.41 -0.25 1.37 -0.60 0.00 0.00 178.31 178.42 2ron h LEU 133 N -0.55 0.00 -1.13 1.54 8.10 -1.33 0.26 115.31 122.20 2ron h LEU 133 Ca 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.98 2ron h LEU 133 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 2ron h LEU 133 CO -0.14 0.25 0.27 0.44 -4.11 0.00 0.00 178.44 175.16 2ron h ASP 134 N 0.00 0.80 0.00 0.17 3.32 0.38 -1.13 116.42 119.96 2ron h ASP 134 Ca -0.00 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 2ron h ASP 134 Cb 0.70 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2ron h ASP 134 CO 0.03 0.70 -1.54 1.57 -1.72 0.00 0.00 179.24 178.28 2ron n HIS 135 N -4.34 0.00 -0.27 4.55 -0.00 -0.81 -3.60 115.22 110.76 2ron n HIS 135 Ca 0.05 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.42 2ron n HIS 135 Cb 0.15 -0.65 0.49 0.00 -0.12 0.00 0.00 29.99 29.85 2ron n HIS 135 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 2ron h ILE 136 N -0.94 0.66 -7.16 3.57 2.04 -0.62 -3.45 117.51 111.62 2ron h ILE 136 Ca -0.26 -0.15 -0.62 0.00 1.00 0.00 0.00 64.86 64.82 2ron h ILE 136 Cb 1.19 0.17 -0.38 0.00 -0.74 0.00 0.00 36.82 37.06 2ron h ILE 136 CO -0.16 0.08 -0.90 2.30 0.00 0.00 0.00 178.15 179.47 2ron n ILE 137 N -4.55 -0.02 -0.04 -0.67 -5.35 -0.43 -4.46 119.36 103.85 2ron n ILE 137 Ca 0.21 -0.01 -0.04 0.00 -0.27 0.00 0.00 62.75 62.64 2ron n ILE 137 Cb 0.71 -0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 38.10 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 -4.03 0.24 -3.91 6.28 7.27 -1.25 -4.36 117.38 117.61 2ron n GLN 138 Ca 0.11 0.09 -0.28 0.00 0.07 0.00 0.00 57.00 57.00 2ron n GLN 138 Cb 0.45 -0.90 0.01 0.00 2.41 0.00 0.00 30.24 32.21 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 -3.41 -2.49 0.00 1.69 4.77 -1.26 -0.89 117.00 115.40 2ron n LEU 139 Ca -0.06 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2ron n LEU 139 Cb 0.23 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 2ron n LEU 139 CO 0.09 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2ron n GLY 140 N -1.69 0.48 0.00 -0.72 0.00 -1.26 -4.78 105.19 97.22 2ron n GLY 140 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.82 0.37 3.52 -0.02 0.00 -0.07 -5.03 105.19 101.15 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 0.42 0.74 0.45 1.61 0.23 -1.26 -5.07 119.30 116.42 2ron s MET 142 Ca 0.00 -0.20 -0.23 0.00 -1.03 0.00 0.00 55.69 54.22 2ron s MET 142 Cb 0.00 0.34 -0.07 0.00 -1.53 0.00 0.00 34.83 33.57 2ron s MET 142 CO 0.00 -0.31 1.17 -1.25 -2.03 0.00 0.00 175.02 172.60 2ron s PRO 143 N -2.71 3.78 -0.29 3.16 0.04 -1.26 -4.39 135.00 133.33 2ron s PRO 143 Ca 0.04 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 2ron s PRO 143 Cb -0.01 -2.43 0.15 0.00 0.04 0.00 0.00 34.50 32.25 2ron s PRO 143 CO -0.07 -0.54 0.99 0.00 0.04 0.00 0.00 177.00 177.43 2ron s ALA 144 N -1.53 -2.41 0.00 8.56 0.00 -1.26 -5.05 121.76 120.07 2ron s ALA 144 Ca 0.63 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.74 2ron s ALA 144 Cb -0.29 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2ron s ALA 144 CO 0.35 -0.51 0.00 0.39 0.00 0.00 0.00 175.76 175.99 2ron n GLU 145 N 4.01 1.61 -0.59 0.00 -0.58 -1.26 -4.72 120.64 119.11 2ron n GLU 145 Ca -0.16 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.67 2ron n GLU 145 Cb 0.56 -0.68 0.33 0.00 -0.57 0.00 0.00 31.44 31.09 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2ron n LEU 146 N -0.98 4.62 0.00 -4.62 -0.00 -1.26 -4.17 117.00 110.58 2ron n LEU 146 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 56.01 53.43 2ron n LEU 146 Cb 0.16 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 2ron n LEU 146 CO 0.00 0.75 0.13 1.33 -0.00 0.00 0.00 177.39 179.60 2ron n VAL 147 N 0.71 0.01 1.71 1.47 0.24 -1.26 -4.71 118.33 116.50 2ron n VAL 147 Ca 0.24 -0.25 0.15 0.00 -2.04 0.00 0.00 64.34 62.44 2ron n VAL 147 Cb 0.90 1.49 0.85 0.00 -1.47 0.00 0.00 33.84 35.61 2ron n VAL 147 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2ron n GLU 148 N -0.01 0.73 0.00 7.34 0.28 -1.26 -3.09 120.64 124.64 2ron n GLU 148 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2ron n GLU 148 Cb 0.13 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2ron n GLU 148 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2ron n ASN 149 N -1.13 0.00 0.20 -1.84 2.85 -1.26 -2.88 115.26 111.20 2ron n ASN 149 Ca 0.19 0.35 0.06 0.00 -0.11 0.00 0.00 54.58 55.08 2ron n ASN 149 Cb 0.17 -0.25 0.56 0.00 1.24 0.00 0.00 39.78 41.50 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2ron h LYS 150 N 0.00 0.12 -0.31 1.20 -0.00 -1.93 -2.38 116.57 113.28 2ron h LYS 150 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 60.65 60.65 2ron h LYS 150 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 32.19 2ron h LYS 150 CO 0.00 0.12 0.19 0.93 -0.00 0.00 0.00 179.45 180.69 2ron h GLU 151 N 0.12 0.37 0.00 0.07 5.08 -1.70 0.39 114.58 118.92 2ron h GLU 151 Ca 0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2ron h GLU 151 Cb 0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2ron h GLU 151 CO -0.00 0.25 -0.20 0.28 -1.00 0.00 0.00 179.01 178.34 2ron h VAL 152 N 0.38 0.51 -0.31 3.13 2.07 -1.30 0.26 116.25 120.99 2ron h VAL 152 Ca 0.12 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2ron h VAL 152 Cb -0.02 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2ron h VAL 152 CO -0.04 0.20 0.00 0.23 0.02 0.00 0.00 177.57 177.97 2ron n MET 153 N -3.39 2.34 0.00 1.57 2.81 -0.75 -4.08 117.12 115.62 2ron n MET 153 Ca -0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.88 2ron n MET 153 Cb 0.40 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2ron n MET 153 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2ron n SER 154 N 1.24 0.00 0.00 7.83 2.88 0.13 -4.66 113.62 121.05 2ron n SER 154 Ca 0.18 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.95 2ron n SER 154 Cb 0.55 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.70 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2ron h PHE 155 N 0.00 0.00 -4.33 0.66 0.04 -0.67 -3.44 116.94 109.20 2ron h PHE 155 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 2ron h PHE 155 Cb 0.00 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.22 2ron h PHE 155 CO 0.00 0.00 -0.31 0.34 -0.60 0.00 0.00 178.31 177.74 2ron n PHE 156 N -3.65 -1.46 -1.16 -0.55 -0.00 -1.15 -4.13 117.46 105.36 2ron n PHE 156 Ca 0.12 0.53 -0.37 0.00 -0.00 0.00 0.00 57.45 57.72 2ron n PHE 156 Cb 0.84 -3.24 0.04 0.00 -0.00 0.00 0.00 39.48 37.13 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2ron n LEU 157 N -2.10 -2.61 -1.45 -2.13 -0.00 -1.26 -4.69 117.00 102.76 2ron n LEU 157 Ca -0.03 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 2ron n LEU 157 Cb 0.54 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2ron n LEU 157 CO 0.31 -4.50 0.39 -0.81 -0.00 0.00 0.00 177.39 172.78 2ron n PRO 158 N 0.86 0.49 -3.92 1.47 -0.04 -1.26 -4.54 135.00 128.05 2ron n PRO 158 Ca 0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 2ron n PRO 158 Cb 0.51 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.58 2ron n PRO 158 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ron s SER 159 N 1.59 4.51 0.01 3.54 0.01 -1.26 -4.92 113.70 117.17 2ron s SER 159 Ca 0.00 -2.88 -0.03 0.00 1.31 0.00 0.00 55.95 54.35 2ron s SER 159 Cb 0.00 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 2ron s SER 159 CO 0.00 -0.27 1.05 -0.26 0.41 0.00 0.00 173.24 174.17 2ron h PHE 160 N 6.72 -0.11 -1.06 2.43 0.04 -1.98 0.18 116.94 123.17 2ron h PHE 160 Ca -0.07 -0.00 0.40 0.00 2.80 0.00 0.00 57.97 61.10 2ron h PHE 160 Cb 0.92 0.04 -0.16 0.00 2.20 0.00 0.00 35.95 38.94 2ron h PHE 160 CO 0.54 -0.07 0.60 0.07 -0.60 0.00 0.00 178.31 178.86 2ron h ARG 161 N -0.11 0.10 0.00 1.51 0.11 -1.97 0.58 114.38 114.60 2ron h ARG 161 Ca -0.01 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2ron h ARG 161 Cb 0.09 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.14 2ron h ARG 161 CO 0.02 0.07 0.00 0.45 0.10 0.00 0.00 179.97 180.60 2ron n SER 162 N -5.11 0.00 0.02 0.08 2.88 -1.11 -1.74 113.62 108.65 2ron n SER 162 Ca 0.36 0.79 -0.12 0.00 -1.33 0.00 0.00 58.87 58.57 2ron n SER 162 Cb 1.24 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 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 -1.17 -0.12 -3.46 3.58 -0.16 0.36 116.42 115.45 2ron h ASP 163 Ca 0.00 0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.62 2ron h ASP 163 Cb 0.00 0.47 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 2ron h ASP 163 CO 0.00 -0.41 -0.24 1.88 -2.88 0.00 0.00 179.24 177.59 2ron h TYR 164 N -0.49 -0.72 0.00 0.28 -1.99 0.00 0.46 116.97 114.52 2ron h TYR 164 Ca 0.07 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.83 2ron h TYR 164 Cb 0.60 0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.66 2ron h TYR 164 CO -0.43 -0.22 0.08 -0.09 -0.00 0.00 0.00 178.16 177.50 2ron h ARG 165 N -0.21 0.00 0.00 4.88 2.43 -1.16 0.59 114.38 120.91 2ron h ARG 165 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2ron h ARG 165 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2ron h ARG 165 CO -0.23 0.00 -0.40 0.00 -1.51 0.00 0.00 179.97 177.83 2ron h ALA 166 N 1.85 0.78 -0.00 2.80 0.00 0.34 0.31 119.26 125.33 2ron h ALA 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ron h ALA 166 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ron h ALA 166 CO 0.00 0.00 -0.13 1.28 0.00 0.00 0.00 179.25 180.40 2ron n LEU 167 N -2.66 0.96 0.00 0.00 4.77 0.12 -4.74 117.00 115.46 2ron n LEU 167 Ca 0.03 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2ron n LEU 167 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2ron n LEU 167 CO 0.36 0.20 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.77 2ron n GLU 168 N -0.33 0.43 -2.09 3.23 4.71 0.17 -5.02 120.64 121.74 2ron n GLU 168 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.97 2ron n GLU 168 Cb 0.13 -0.73 -0.04 0.00 -1.01 0.00 0.00 31.44 29.79 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2ron n GLN 169 N -1.78 -1.61 -0.00 3.49 6.02 0.11 -4.80 117.38 118.81 2ron n GLN 169 Ca 0.00 1.07 0.01 0.00 -0.01 0.00 0.00 57.00 58.08 2ron n GLN 169 Cb 0.23 -5.62 -0.02 0.00 1.02 0.00 0.00 30.24 25.84 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 -3.34 0.00 -1.06 1.08 3.72 -1.26 -5.05 117.46 111.54 2ron n PHE 170 Ca -0.23 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.83 2ron n PHE 170 Cb 0.68 -0.06 0.09 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.55 0.05 -4.43 -1.08 -0.58 -1.26 -5.03 120.64 106.76 2ron n GLU 171 Ca -0.00 0.06 -0.23 0.00 -0.42 0.00 0.00 57.16 56.57 2ron n GLU 171 Cb 0.07 -1.83 -0.09 0.00 -0.57 0.00 0.00 31.44 29.03 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 -0.44 1.89 0.62 -4.62 1.43 -1.26 -5.01 118.68 111.29 2ron s LEU 172 Ca 0.61 -1.63 0.39 0.00 -1.03 0.00 0.00 54.13 52.47 2ron s LEU 172 Cb -0.29 0.03 2.07 0.00 0.03 0.00 0.00 46.19 48.04 2ron s LEU 172 CO 0.62 -0.91 2.27 0.22 0.23 0.00 0.00 176.35 178.78 2ron h TYR 173 N 1.97 0.00 -3.12 0.29 3.20 -2.04 -3.37 116.97 113.90 2ron h TYR 173 Ca -0.34 0.00 -0.73 0.00 3.14 0.00 0.00 58.73 60.80 2ron h TYR 173 Cb 1.26 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.31 2ron h TYR 173 CO 1.34 0.01 -0.13 -0.51 -1.64 0.00 0.00 178.16 177.23 2ron s ASP 174 N -5.51 6.18 -0.01 -2.11 1.11 -1.26 -4.82 116.67 110.26 2ron s ASP 174 Ca -0.04 -1.46 0.06 0.00 0.18 0.00 0.00 52.55 51.30 2ron s ASP 174 Cb 0.13 -2.24 -0.10 0.00 1.07 0.00 0.00 42.92 41.78 2ron s ASP 174 CO 0.47 -0.87 0.16 0.00 1.18 0.00 0.00 175.17 176.11 2ron n LEU 175 N 5.63 0.04 -4.63 1.23 -0.00 -1.26 -5.04 117.00 112.97 2ron n LEU 175 Ca -0.11 -0.06 -0.30 0.00 -0.00 0.00 0.00 56.01 55.54 2ron n LEU 175 Cb 0.42 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.02 2ron n LEU 175 CO 0.53 0.01 0.63 0.00 -0.00 0.00 0.00 177.39 178.56 2ron s ALA 176 N -2.34 0.93 -0.92 1.47 0.00 -1.26 -4.16 121.76 115.48 2ron s ALA 176 Ca -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 2ron s ALA 176 Cb 0.04 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2ron s ALA 176 CO 0.27 -2.94 0.80 1.04 0.00 0.00 0.00 175.76 174.93 2ron n GLN 177 N -4.32 -2.41 -3.69 0.00 6.02 -1.22 -4.97 117.38 106.78 2ron n GLN 177 Ca 0.08 0.74 -0.18 0.00 -0.01 0.00 0.00 57.00 57.63 2ron n GLN 177 Cb 0.54 -5.24 -0.17 0.00 1.02 0.00 0.00 30.24 26.39 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.33 -0.13 -0.29 5.09 -1.09 -1.26 -5.06 121.20 115.13 2ron s ILE 178 Ca 0.34 0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 58.95 2ron s ILE 178 Cb -0.04 -0.18 0.13 0.00 -1.58 0.00 0.00 42.46 40.79 2ron s ILE 178 CO 0.63 0.15 0.93 0.00 -1.23 0.00 0.00 174.94 175.42 2ron s GLN 179 N 1.93 0.45 0.00 2.79 -2.07 -1.26 -2.47 119.66 119.03 2ron s GLN 179 Ca 0.01 0.74 0.00 0.00 -1.82 0.00 0.00 55.36 54.29 2ron s GLN 179 Cb -0.12 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 31.90 2ron s GLN 179 CO -0.04 -0.09 0.00 0.43 -1.32 0.00 0.00 175.29 174.27 2ron n SER 180 N 3.63 -0.03 -3.05 12.60 7.64 -1.26 -4.76 113.62 128.40 2ron n SER 180 Ca -0.18 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2ron n SER 180 Cb 0.58 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 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 -2.74 0.06 -3.89 1.43 -0.04 -1.26 -3.80 135.00 124.76 2ron n PRO 181 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2ron n PRO 181 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2ron n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ron s VAL 182 N -0.46 1.05 -0.02 0.52 1.01 -1.24 -0.47 120.40 120.78 2ron s VAL 182 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2ron s VAL 182 Cb 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2ron s VAL 182 CO 0.00 0.25 -0.11 -1.00 0.00 0.00 0.00 175.10 174.24 2ron s HIS 183 N 1.68 1.05 -0.08 5.22 3.76 -0.74 -1.95 115.29 124.22 2ron s HIS 183 Ca 0.03 -0.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 2ron s HIS 183 Cb -0.14 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.83 2ron s HIS 183 CO -0.08 -0.08 -0.21 0.08 -0.85 0.00 0.00 174.74 173.60 2ron s VAL 184 N 0.03 1.79 -0.05 -0.90 1.01 -1.10 -3.69 120.40 117.49 2ron s VAL 184 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2ron s VAL 184 Cb -0.08 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2ron s VAL 184 CO 0.00 0.50 0.03 -0.36 0.00 0.00 0.00 175.10 175.28 2ron s PHE 185 N 0.31 3.21 0.04 5.22 0.40 0.10 -1.88 117.98 125.38 2ron s PHE 185 Ca -0.14 0.20 -0.19 0.00 -0.60 0.00 0.00 56.93 56.20 2ron s PHE 185 Cb -0.16 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.64 2ron s PHE 185 CO 0.06 0.51 0.44 1.21 0.70 0.00 0.00 175.22 178.14 2ron s ASN 186 N -1.22 -0.32 0.00 1.36 3.84 -0.94 -1.59 114.94 116.07 2ron s ASN 186 Ca 0.17 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.28 2ron s ASN 186 Cb -0.12 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 41.02 2ron s ASN 186 CO 0.07 -0.67 0.00 0.61 -2.79 0.00 0.00 177.10 174.31 2ron n GLY 187 N 0.50 0.93 4.42 1.21 0.00 -0.49 -4.00 105.19 107.77 2ron n GLY 187 Ca -0.18 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2ron n GLY 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ron n LEU 188 N 0.00 -0.87 -0.09 0.99 -0.00 0.11 -3.47 117.00 113.66 2ron n LEU 188 Ca 0.00 -1.15 0.03 0.00 -0.00 0.00 0.00 56.01 54.89 2ron n LEU 188 Cb 0.00 -1.61 0.35 0.00 -0.00 0.00 0.00 43.42 42.16 2ron n LEU 188 CO 0.00 0.11 1.20 -2.24 -0.00 0.00 0.00 177.39 176.46 2ron h ASP 189 N -0.88 0.63 0.00 1.45 3.04 -1.86 -3.23 116.42 115.57 2ron h ASP 189 Ca -0.57 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.20 2ron h ASP 189 Cb 1.37 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 2ron h ASP 189 CO 0.85 0.46 0.00 0.47 -2.04 0.00 0.00 179.24 178.97 2ron n ASP 190 N -4.45 0.00 -4.42 4.15 9.92 -1.26 -0.09 116.55 120.40 2ron n ASP 190 Ca 0.05 0.86 -0.33 0.00 -0.53 0.00 0.00 54.79 54.85 2ron n ASP 190 Cb 0.05 -0.38 -0.14 0.00 -0.64 0.00 0.00 41.12 40.01 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 -2.46 3.01 -0.01 -1.24 2.20 -1.22 -2.62 119.74 117.40 2ron s LYS 191 Ca 0.00 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2ron s LYS 191 Cb 0.00 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 2ron s LYS 191 CO 0.00 0.39 0.00 0.36 -0.36 0.00 0.00 175.35 175.75 2ron n LYS 192 N 2.99 3.51 -0.11 4.03 2.85 -1.26 -4.66 118.16 125.52 2ron n LYS 192 Ca -0.18 0.00 0.24 0.00 -1.05 0.00 0.00 58.31 57.32 2ron n LYS 192 Cb 0.52 -1.02 0.69 0.00 -0.65 0.00 0.00 35.03 34.58 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 0.04 1.35 0.12 0.00 -0.00 -1.99 -0.87 117.51 116.16 2ron h ILE 194 Ca 0.36 -1.78 -0.01 0.00 -0.00 0.00 0.00 64.86 63.43 2ron h ILE 194 Cb 1.37 1.85 0.00 0.00 -0.00 0.00 0.00 36.82 40.04 2ron h ILE 194 CO -0.02 0.53 -0.06 -0.09 -0.00 0.00 0.00 178.15 178.52 2ron h ARG 195 N 0.21 -0.15 -0.22 2.19 2.43 -0.73 -1.77 114.38 116.34 2ron h ARG 195 Ca 0.01 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2ron h ARG 195 Cb 0.99 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2ron h ARG 195 CO 0.08 0.27 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.19 2ron h ASP 196 N -0.63 0.37 0.35 -3.80 5.19 -1.49 0.45 116.42 116.87 2ron h ASP 196 Ca -0.02 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 2ron h ASP 196 Cb 0.49 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2ron h ASP 196 CO 0.03 0.58 -0.17 0.00 -3.12 0.00 0.00 179.24 176.55 2ron h ALA 197 N 1.46 -0.84 0.00 3.45 0.00 -1.16 0.03 119.26 122.20 2ron h ALA 197 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ron h ALA 197 Cb 0.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ron h ALA 197 CO 0.03 -0.80 0.00 0.39 0.00 0.00 0.00 179.25 178.87 2ron n GLU 198 N -3.68 0.09 -0.07 0.00 -0.58 -0.67 -1.91 120.64 113.82 2ron n GLU 198 Ca -0.06 0.28 -0.17 0.00 -0.42 0.00 0.00 57.16 56.79 2ron n GLU 198 Cb 0.19 -1.66 -0.13 0.00 -0.57 0.00 0.00 31.44 29.27 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 2.86 0.02 2.00 0.62 0.00 -0.05 -3.36 103.07 105.16 2ron h GLY 199 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2ron h GLY 199 CO 0.00 0.06 -0.26 -0.25 0.00 0.00 0.00 176.54 176.08 2ron h TRP 200 N -0.95 0.00 -0.65 5.60 2.91 -0.98 -3.15 115.95 118.74 2ron h TRP 200 Ca -0.14 0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.07 2ron h TRP 200 Cb 1.16 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.79 2ron h TRP 200 CO 0.21 0.26 0.49 1.57 -1.03 0.00 0.00 178.44 179.93 2ron h LYS 201 N 0.00 0.00 0.00 2.65 5.09 -1.53 0.18 116.57 122.96 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 0.98 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.31 2ron h LYS 201 CO 0.03 0.00 -1.65 0.36 -2.09 0.00 0.00 179.45 176.10 2ron n LYS 202 N -4.25 0.60 -1.85 0.07 2.85 -1.19 -4.95 118.16 109.44 2ron n LYS 202 Ca 0.13 -0.10 -0.15 0.00 -1.05 0.00 0.00 58.31 57.14 2ron n LYS 202 Cb 0.74 -1.60 -0.04 0.00 -0.65 0.00 0.00 35.03 33.48 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 -2.32 -0.72 -4.00 5.58 7.02 0.63 -3.42 117.44 120.22 2ron n TRP 203 Ca -0.02 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.11 2ron n TRP 203 Cb 0.55 -2.91 -0.13 0.00 -2.42 0.00 0.00 31.31 26.40 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 -2.46 2.90 -0.06 6.99 0.00 -1.26 -4.54 121.76 123.33 2ron s ALA 204 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2ron s ALA 204 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.41 2ron s ALA 204 CO 0.00 -0.31 0.01 -1.59 0.00 0.00 0.00 175.76 173.88 2ron s LYS 205 N 1.27 0.44 1.05 0.00 0.00 -1.03 -4.89 119.74 116.57 2ron s LYS 205 Ca 0.03 0.17 -0.18 0.00 0.00 0.00 0.00 55.97 55.99 2ron s LYS 205 Cb -0.14 -0.84 0.02 0.00 0.00 0.00 0.00 37.83 36.86 2ron s LYS 205 CO -0.00 -0.30 -0.17 -0.25 0.00 0.00 0.00 175.35 174.62 2ron n ASP 206 N 5.13 -2.72 -0.40 0.03 9.92 -1.26 -4.49 116.55 122.76 2ron n ASP 206 Ca -0.07 0.05 0.34 0.00 -0.53 0.00 0.00 54.79 54.58 2ron n ASP 206 Cb 0.50 -0.95 0.66 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.68 0.32 -3.21 0.53 1.08 -0.87 -3.32 117.51 110.36 2ron h ILE 207 Ca -0.48 -0.05 -0.53 0.00 -0.39 0.00 0.00 64.86 63.41 2ron h ILE 207 Cb 1.34 0.17 -0.40 0.00 -3.07 0.00 0.00 36.82 34.85 2ron h ILE 207 CO 0.33 0.03 -0.76 -0.89 -0.69 0.00 0.00 178.15 176.17 2ron s THR 208 N -5.20 0.54 -0.10 -0.27 2.01 -1.22 -5.03 115.64 106.39 2ron s THR 208 Ca -0.07 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2ron s THR 208 Cb 0.26 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2ron s THR 208 CO 0.82 -0.35 -0.22 0.72 -0.69 0.00 0.00 174.62 174.90 2ron s PHE 209 N 1.83 2.40 -0.26 4.92 -0.71 -1.25 -1.80 117.98 123.11 2ron s PHE 209 Ca 0.02 -0.98 -0.03 0.00 -1.04 0.00 0.00 56.93 54.89 2ron s PHE 209 Cb -0.17 -1.62 0.10 0.00 -1.21 0.00 0.00 43.02 40.13 2ron s PHE 209 CO -0.14 -0.41 0.18 -1.58 -1.34 0.00 0.00 175.22 171.93 2ron s HIS 210 N 0.41 0.02 -0.04 3.49 2.46 -1.24 -5.01 115.29 115.37 2ron s HIS 210 Ca -0.18 -0.46 -0.13 0.00 0.47 0.00 0.00 55.06 54.77 2ron s HIS 210 Cb -0.18 -0.68 -0.05 0.00 -0.13 0.00 0.00 32.58 31.54 2ron s HIS 210 CO 0.08 -0.77 0.34 1.14 -2.47 0.00 0.00 174.74 173.05 2ron s GLN 211 N 2.21 3.82 -0.19 2.88 1.03 -1.25 -0.72 119.66 127.44 2ron s GLN 211 Ca 0.08 0.27 -0.01 0.00 0.04 0.00 0.00 55.36 55.74 2ron s GLN 211 Cb -0.15 -3.22 0.05 0.00 0.03 0.00 0.00 33.01 29.71 2ron s GLN 211 CO -0.28 0.69 -0.03 0.12 -2.54 0.00 0.00 175.29 173.25 2ron s PHE 212 N -0.99 1.65 -0.21 9.60 2.19 -0.62 -4.96 117.98 124.64 2ron s PHE 212 Ca 0.21 -1.15 -0.03 0.00 0.33 0.00 0.00 56.93 56.29 2ron s PHE 212 Cb -0.15 -1.28 -0.01 0.00 -1.31 0.00 0.00 43.02 40.27 2ron s PHE 212 CO 0.11 -0.64 -0.05 -0.51 1.83 0.00 0.00 175.22 175.95 2ron s ASP 213 N 1.65 4.26 0.00 6.13 1.01 -1.26 -1.39 116.67 127.07 2ron s ASP 213 Ca -0.01 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.86 2ron s ASP 213 Cb -0.16 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.04 2ron s ASP 213 CO -0.07 0.00 0.81 0.61 0.21 0.00 0.00 175.17 176.73 2ron n GLY 214 N 4.66 -2.26 0.00 0.21 0.00 -1.23 -4.67 105.19 101.90 2ron n GLY 214 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N -0.57 0.72 0.34 -0.02 0.00 -0.11 -4.81 105.19 100.74 2ron n GLY 215 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.37 1.61 8.25 0.88 -4.55 115.22 121.04 2ron n HIS 216 Ca 0.00 -0.58 -0.30 0.00 -0.26 0.00 0.00 57.72 56.57 2ron n HIS 216 Cb 0.00 -0.11 0.29 0.00 1.12 0.00 0.00 29.99 31.28 2ron n HIS 216 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2ron s MET 217 N -1.56 -2.82 0.06 -0.41 1.75 -1.08 -4.62 119.30 110.63 2ron s MET 217 Ca 0.19 0.21 -0.35 0.00 -1.25 0.00 0.00 55.69 54.49 2ron s MET 217 Cb 0.17 -1.38 -0.18 0.00 2.84 0.00 0.00 34.83 36.27 2ron s MET 217 CO 0.00 -4.82 1.52 0.74 -0.65 0.00 0.00 175.02 171.82 2ron h PHE 218 N -3.38 -1.22 -0.03 4.11 0.04 -1.86 -2.02 116.94 112.59 2ron h PHE 218 Ca -0.45 -0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.11 2ron h PHE 218 Cb 1.34 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 39.91 2ron h PHE 218 CO -2.97 -0.70 -0.82 1.25 -0.60 0.00 0.00 178.31 174.48 2ron h LEU 219 N -1.17 0.37 -0.62 1.54 5.85 -1.98 -3.20 115.31 116.10 2ron h LEU 219 Ca -0.11 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.46 2ron h LEU 219 Cb 0.93 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.75 2ron h LEU 219 CO 0.13 1.04 0.14 -0.07 -0.34 0.00 0.00 178.44 179.34 2ron h LEU 220 N 0.18 0.01 -1.16 2.25 -0.00 -1.86 0.15 115.31 114.89 2ron h LEU 220 Ca -0.04 0.12 -0.09 0.00 -0.00 0.00 0.00 57.88 57.87 2ron h LEU 220 Cb 1.42 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 42.22 2ron h LEU 220 CO 0.13 0.01 -0.41 0.77 -0.00 0.00 0.00 178.44 178.94 2ron h SER 221 N 0.26 0.03 0.08 -0.43 4.64 -1.40 -2.85 113.55 113.88 2ron h SER 221 Ca 0.33 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.48 2ron h SER 221 Cb 0.50 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2ron h SER 221 CO -0.42 0.43 -0.55 -0.61 -0.87 0.00 0.00 176.83 174.82 2ron h GLN 222 N 0.02 0.49 -3.84 4.77 -0.00 -0.81 -3.38 115.11 112.36 2ron h GLN 222 Ca -0.00 -0.31 -0.71 0.00 -0.00 0.00 0.00 58.65 57.63 2ron h GLN 222 Cb 0.73 0.03 -0.34 0.00 0.00 0.00 0.00 27.48 27.91 2ron h GLN 222 CO 0.05 0.91 -0.37 0.95 0.00 0.00 0.00 178.83 180.38 2ron s THR 223 N -3.97 3.81 0.50 2.39 -4.23 0.19 -4.92 115.64 109.40 2ron s THR 223 Ca -0.07 -2.65 0.22 0.00 -1.18 0.00 0.00 61.69 58.01 2ron s THR 223 Cb 0.11 -3.50 0.27 0.00 1.34 0.00 0.00 72.50 70.73 2ron s THR 223 CO 0.83 -0.84 2.12 1.05 -0.54 0.00 0.00 174.62 177.24 2ron h GLU 224 N 7.40 0.00 0.46 3.99 4.11 -1.75 -2.87 114.58 125.92 2ron h GLU 224 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2ron h GLU 224 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2ron h GLU 224 CO 0.73 0.07 -0.28 0.93 0.07 0.00 0.00 179.01 180.53 2ron h GLU 225 N 0.00 -0.68 -0.90 1.06 5.08 -1.91 -1.94 114.58 115.29 2ron h GLU 225 Ca -0.00 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2ron h GLU 225 Cb 0.15 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 2ron h GLU 225 CO 0.01 -0.45 0.53 0.28 -1.00 0.00 0.00 179.01 178.38 2ron h VAL 226 N -0.70 0.87 0.64 3.13 2.07 -1.85 -0.84 116.25 119.58 2ron h VAL 226 Ca -0.05 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2ron h VAL 226 Cb 0.57 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2ron h VAL 226 CO 0.05 0.15 -0.44 0.00 0.02 0.00 0.00 177.57 177.36 2ron h ALA 227 N 1.51 -1.20 -0.36 1.67 0.00 -1.42 -0.83 119.26 118.62 2ron h ALA 227 Ca 0.45 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2ron h ALA 227 Cb 0.48 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ron h ALA 227 CO -0.28 -1.18 0.28 1.49 0.00 0.00 0.00 179.25 179.57 2ron h GLU 228 N -1.02 0.00 -0.04 0.00 4.22 -1.07 -1.58 114.58 115.10 2ron h GLU 228 Ca -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 2ron h GLU 228 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2ron h GLU 228 CO 0.06 0.00 -0.01 -0.09 -2.18 0.00 0.00 179.01 176.79 2ron h ARG 229 N 0.00 0.08 0.83 1.92 2.43 -0.54 -1.54 114.38 117.55 2ron h ARG 229 Ca 0.17 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2ron h ARG 229 Cb 0.74 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2ron h ARG 229 CO -0.00 0.43 -0.40 0.82 -1.51 0.00 0.00 179.97 179.31 2ron h ILE 230 N -0.28 0.12 -0.69 1.20 1.08 -0.22 -2.58 117.51 116.13 2ron h ILE 230 Ca 0.01 -0.10 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 2ron h ILE 230 Cb 0.40 0.14 -0.10 0.00 -3.07 0.00 0.00 36.82 34.19 2ron h ILE 230 CO 0.00 0.01 0.19 0.15 -0.69 0.00 0.00 178.15 177.81 2ron h PHE 231 N -1.20 0.31 0.00 1.37 3.04 -1.48 0.26 116.94 119.24 2ron h PHE 231 Ca -0.11 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.88 2ron h PHE 231 Cb 0.86 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2ron h PHE 231 CO -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 178.31 176.26 2ron n ALA 232 N -2.60 -0.19 -0.04 2.41 0.00 -0.58 -0.74 120.51 118.77 2ron n ALA 232 Ca 0.12 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.79 2ron n ALA 232 Cb 0.40 0.17 0.71 0.00 0.00 0.00 0.00 19.45 20.73 2ron n ALA 232 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2ron h ILE 233 N 0.00 0.63 -0.12 0.00 6.09 -1.32 0.34 117.51 123.13 2ron h ILE 233 Ca 0.00 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.42 2ron h ILE 233 Cb 0.00 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 37.95 2ron h ILE 233 CO 0.00 0.00 -0.24 0.25 -3.07 0.00 0.00 178.15 175.09 2ron h LEU 234 N 0.00 0.20 0.00 2.19 5.85 0.13 0.35 115.31 124.03 2ron h LEU 234 Ca 0.29 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2ron h LEU 234 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2ron h LEU 234 CO -0.00 0.45 -1.25 -3.20 -0.34 0.00 0.00 178.44 174.10 2ron n ASN 235 N -4.18 0.71 -0.77 1.25 5.15 0.83 -4.15 115.26 114.09 2ron n ASN 235 Ca -0.01 -0.68 0.08 0.00 -0.60 0.00 0.00 54.58 53.37 2ron n ASN 235 Cb 0.34 1.23 0.14 0.00 -0.53 0.00 0.00 39.78 40.96 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 -1.72 1.98 0.05 1.20 1.13 0.78 -4.64 117.38 116.15 2ron n GLN 236 Ca 0.02 -1.85 -0.15 0.00 -1.94 0.00 0.00 57.00 53.08 2ron n GLN 236 Cb 0.40 -1.34 -0.08 0.00 0.11 0.00 0.00 30.24 29.32 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 3.00 -1.39 0.00 1.08 -0.00 -0.46 -1.39 115.15 115.98 2ron h HIS 237 Ca 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2ron h HIS 237 Cb 0.74 0.61 -0.00 0.00 -0.00 0.00 0.00 27.41 28.76 2ron h HIS 237 CO 0.16 -0.54 -0.10 -1.00 -0.00 0.00 0.00 177.93 176.45 2ron h PRO 238 N -0.62 0.00 -6.00 5.26 0.13 -1.86 -3.42 132.00 125.49 2ron h PRO 238 Ca 0.03 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.58 2ron h PRO 238 Cb 0.69 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.76 2ron h PRO 238 CO -0.35 0.10 0.61 0.42 -0.23 0.00 0.00 178.00 178.56 2ron s ILE 239 N -3.74 4.77 -0.00 -3.56 1.01 -0.52 -4.92 121.20 114.23 2ron s ILE 239 Ca 0.00 1.84 0.11 0.00 0.00 0.00 0.00 60.65 62.60 2ron s ILE 239 Cb 0.10 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 38.16 2ron s ILE 239 CO 0.58 -0.09 0.98 0.16 0.00 0.00 0.00 174.94 176.57 2ron h ILE 240 N 5.36 1.13 -3.96 2.92 -0.00 -1.83 -3.47 117.51 117.66 2ron h ILE 240 Ca -0.23 -2.85 -0.49 0.00 -0.00 0.00 0.00 64.86 61.30 2ron h ILE 240 Cb 1.09 2.53 0.01 0.00 -0.00 0.00 0.00 36.82 40.46 2ron h ILE 240 CO 0.91 0.64 0.25 0.00 -0.00 0.00 0.00 178.15 179.96 2ron s GLN 241 N -2.71 3.84 0.00 0.16 -2.07 -1.26 -5.19 119.66 112.43 2ron s GLN 241 Ca -0.02 0.70 0.16 0.00 -1.82 0.00 0.00 55.36 54.38 2ron s GLN 241 Cb 0.09 -2.25 0.93 0.00 -1.09 0.00 0.00 33.01 30.69 2ron s GLN 241 CO 0.81 -0.18 1.34 -0.35 -1.32 0.00 0.00 175.29 175.60