#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 -0.38 0.54 6.12 1.04 -1.16 -4.89 113.70 114.97 2ron s SER 2 Ca 0.00 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2ron s SER 2 Cb 0.00 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.79 2ron s SER 2 CO 0.00 -1.08 0.75 -1.58 0.98 0.00 0.00 173.24 172.31 2ron s GLN 3 N -3.70 2.45 -0.29 4.02 0.74 -1.02 -4.18 119.66 117.68 2ron s GLN 3 Ca 0.07 -1.17 -0.20 0.00 0.05 0.00 0.00 55.36 54.12 2ron s GLN 3 Cb -0.03 -2.59 0.13 0.00 1.10 0.00 0.00 33.01 31.63 2ron s GLN 3 CO -0.03 -0.72 0.97 -0.48 -0.55 0.00 0.00 175.29 174.49 2ron s LEU 4 N -4.67 -0.52 -0.10 3.68 2.34 -1.26 -0.08 118.68 118.07 2ron s LEU 4 Ca 0.59 0.89 -0.19 0.00 0.06 0.00 0.00 54.13 55.48 2ron s LEU 4 Cb -0.08 1.85 -0.04 0.00 -0.56 0.00 0.00 46.19 47.35 2ron s LEU 4 CO 0.38 -0.15 0.52 0.12 -1.06 0.00 0.00 176.35 176.16 2ron s PHE 5 N 0.93 3.55 0.01 3.48 5.36 0.07 -4.86 117.98 126.52 2ron s PHE 5 Ca -0.04 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 56.91 2ron s PHE 5 Cb -0.04 -2.58 -0.01 0.00 -0.34 0.00 0.00 43.02 40.04 2ron s PHE 5 CO -0.12 0.19 -0.03 -1.59 -1.46 0.00 0.00 175.22 172.21 2ron s LYS 6 N 0.51 0.24 -0.30 10.12 0.00 -1.26 -0.97 119.74 128.07 2ron s LYS 6 Ca 0.28 -0.31 -0.08 0.00 0.00 0.00 0.00 55.97 55.86 2ron s LYS 6 Cb -0.16 -0.09 0.18 0.00 0.00 0.00 0.00 37.83 37.77 2ron s LYS 6 CO 0.12 0.01 0.87 -1.12 0.00 0.00 0.00 175.35 175.24 2ron s SER 7 N -0.65 -0.83 0.26 0.03 0.01 -0.18 -5.00 113.70 107.35 2ron s SER 7 Ca -0.05 0.53 0.06 0.00 1.31 0.00 0.00 55.95 57.80 2ron s SER 7 Cb -0.05 1.70 -0.03 0.00 0.21 0.00 0.00 66.02 67.86 2ron s SER 7 CO -0.00 -0.15 0.33 0.72 0.41 0.00 0.00 173.24 174.54 2ron s PHE 8 N 2.91 3.27 -0.18 2.43 -0.71 -1.26 -0.73 117.98 123.71 2ron s PHE 8 Ca 0.08 -0.10 -0.04 0.00 -1.04 0.00 0.00 56.93 55.83 2ron s PHE 8 Cb -0.12 -1.61 0.09 0.00 -1.21 0.00 0.00 43.02 40.17 2ron s PHE 8 CO -0.15 0.37 0.23 0.34 -1.34 0.00 0.00 175.22 174.68 2ron s ASP 9 N -3.97 1.06 -2.07 1.98 2.15 -1.26 -4.85 116.67 109.70 2ron s ASP 9 Ca 0.36 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.35 2ron s ASP 9 Cb -0.09 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2ron s ASP 9 CO 0.28 -0.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.98 2ron n ALA 10 N 5.33 -0.30 -3.88 3.66 0.00 -1.26 -2.87 120.51 121.20 2ron n ALA 10 Ca -0.05 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 2ron n ALA 10 Cb 0.50 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 18.00 2ron n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ron n SER 11 N -1.28 -4.77 -0.00 0.00 7.64 -1.26 -4.93 113.62 109.02 2ron n SER 11 Ca -0.20 -1.16 -0.00 0.00 1.01 0.00 0.00 58.87 58.53 2ron n SER 11 Cb 0.66 -2.53 -0.00 0.00 -1.01 0.00 0.00 64.21 61.33 2ron n SER 11 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ron h GLU 12 N -2.26 0.00 -2.74 1.43 4.81 -1.81 -3.46 114.58 110.55 2ron h GLU 12 Ca -0.69 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.40 2ron h GLU 12 Cb 1.38 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.49 2ron h GLU 12 CO 0.50 0.00 -0.36 0.15 -0.73 0.00 0.00 179.01 178.56 2ron s LYS 13 N -1.00 0.32 -0.28 1.92 1.02 -1.26 -4.81 119.74 115.66 2ron s LYS 13 Ca -0.00 0.74 -0.25 0.00 0.02 0.00 0.00 55.97 56.48 2ron s LYS 13 Cb 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2ron s LYS 13 CO 0.00 -0.17 0.88 0.99 -0.92 0.00 0.00 175.35 176.13 2ron s THR 14 N 1.52 4.74 -0.30 2.17 2.01 -1.23 -0.41 115.64 124.15 2ron s THR 14 Ca -0.08 1.50 0.03 0.00 0.31 0.00 0.00 61.69 63.45 2ron s THR 14 Cb -0.09 -4.20 0.08 0.00 0.01 0.00 0.00 72.50 68.29 2ron s THR 14 CO -0.11 -0.23 -0.02 -1.10 -0.69 0.00 0.00 174.62 172.47 2ron s GLN 15 N 3.07 1.78 -0.21 4.92 -0.21 -1.14 -0.89 119.66 126.99 2ron s GLN 15 Ca 0.37 -1.56 -0.09 0.00 0.02 0.00 0.00 55.36 54.09 2ron s GLN 15 Cb -0.14 -2.99 -0.05 0.00 1.00 0.00 0.00 33.01 30.84 2ron s GLN 15 CO 0.11 -0.76 0.11 -1.17 -2.12 0.00 0.00 175.29 171.46 2ron s LEU 16 N 1.05 4.03 -0.28 2.90 0.20 0.12 -1.81 118.68 124.88 2ron s LEU 16 Ca 0.01 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 54.94 2ron s LEU 16 Cb -0.19 -2.05 0.11 0.00 -0.43 0.00 0.00 46.19 43.63 2ron s LEU 16 CO -0.07 0.14 0.18 0.27 -0.29 0.00 0.00 176.35 176.58 2ron s ILE 17 N 0.59 -0.17 -0.61 6.68 -4.36 -0.92 -1.05 121.20 121.35 2ron s ILE 17 Ca 0.06 -0.63 -0.23 0.00 -0.26 0.00 0.00 60.65 59.60 2ron s ILE 17 Cb -0.12 -0.95 0.06 0.00 1.25 0.00 0.00 42.46 42.70 2ron s ILE 17 CO 0.01 -0.61 0.92 0.00 0.24 0.00 0.00 174.94 175.49 2ron n PHE 19 N 7.47 -2.23 -1.06 0.00 3.72 -1.26 -4.81 117.46 119.28 2ron n PHE 19 Ca -0.03 0.73 -0.30 0.00 -0.05 0.00 0.00 57.45 57.80 2ron n PHE 19 Cb 0.46 -3.99 0.26 0.00 -0.94 0.00 0.00 39.48 35.26 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 -5.08 -1.64 -0.08 -1.08 0.04 -1.26 -4.99 135.00 120.92 2ron s PRO 20 Ca 0.40 -0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.18 2ron s PRO 20 Cb -0.09 -1.56 0.03 0.00 0.04 0.00 0.00 34.50 32.93 2ron s PRO 20 CO 0.78 -3.96 0.19 -0.59 0.04 0.00 0.00 177.00 173.46 2ron s PHE 21 N -3.02 -0.22 0.01 0.56 -0.12 -1.26 -5.08 117.98 108.85 2ron s PHE 21 Ca 0.72 0.57 -0.07 0.00 -0.05 0.00 0.00 56.93 58.10 2ron s PHE 21 Cb -0.07 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2ron s PHE 21 CO 0.56 -0.16 1.11 0.00 -0.05 0.00 0.00 175.22 176.67 2ron h ALA 22 N 6.74 -0.94 -0.53 1.99 0.00 -1.98 -3.41 119.26 121.13 2ron h ALA 22 Ca -0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ron h ALA 22 Cb 1.17 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ron h ALA 22 CO 0.40 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 179.12 2ron n GLY 23 N -1.12 2.65 0.00 0.00 0.00 -1.26 -2.32 105.19 103.14 2ron n GLY 23 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.27 -0.02 0.00 -1.26 -4.63 105.19 99.55 2ron n GLY 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ron h TYR 25 N 0.00 0.37 -0.10 1.61 -0.00 -1.88 -1.19 116.97 115.77 2ron h TYR 25 Ca 0.00 -0.01 -0.20 0.00 -0.00 0.00 0.00 58.73 58.51 2ron h TYR 25 Cb 0.59 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.21 2ron h TYR 25 CO 0.00 0.33 -0.76 1.03 -0.00 0.00 0.00 178.16 178.76 2ron h SER 26 N 0.37 0.67 0.25 0.10 0.87 -1.69 0.22 113.55 114.34 2ron h SER 26 Ca 0.09 -0.45 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2ron h SER 26 Cb 0.15 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2ron h SER 26 CO -0.00 1.21 -0.50 0.00 -0.53 0.00 0.00 176.83 177.01 2ron h ALA 27 N 0.77 0.95 0.17 6.23 0.00 -1.55 0.17 119.26 126.00 2ron h ALA 27 Ca -0.04 -0.48 -0.34 0.00 0.00 0.00 0.00 54.91 54.05 2ron h ALA 27 Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ron h ALA 27 CO 0.14 0.66 -1.71 1.03 0.00 0.00 0.00 179.25 179.37 2ron h SER 28 N 0.23 0.56 0.73 0.00 0.87 -1.21 -3.35 113.55 111.37 2ron h SER 28 Ca 0.01 -0.84 -0.15 0.00 -1.23 0.00 0.00 61.79 59.58 2ron h SER 28 Cb 0.97 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2ron h SER 28 CO 0.08 1.71 -0.72 0.15 -0.53 0.00 0.00 176.83 177.52 2ron h PHE 29 N 0.10 0.00 -0.11 2.24 3.57 -0.57 -3.08 116.94 119.09 2ron h PHE 29 Ca -0.32 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.20 2ron h PHE 29 Cb 2.08 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.77 2ron h PHE 29 CO 0.09 0.72 -0.48 0.00 -2.23 0.00 0.00 178.31 176.41 2ron h ARG 30 N 0.00 -0.50 0.00 1.11 2.47 -0.79 -0.38 114.38 116.29 2ron h ARG 30 Ca -0.01 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2ron h ARG 30 Cb 1.28 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.71 2ron h ARG 30 CO 0.09 -0.33 -0.05 -1.00 0.56 0.00 0.00 179.97 179.24 2ron h PRO 31 N -0.52 0.00 -0.08 0.04 0.13 -1.73 -0.09 132.00 129.76 2ron h PRO 31 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2ron h PRO 31 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2ron h PRO 31 CO -0.38 0.05 -0.03 1.25 -0.23 0.00 0.00 178.00 178.66 2ron h LEU 32 N 0.00 0.16 0.00 1.56 7.12 -1.10 -2.12 115.31 120.93 2ron h LEU 32 Ca -0.00 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 57.62 2ron h LEU 32 Cb 0.52 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 2ron h LEU 32 CO 0.01 0.52 -0.75 1.12 -0.13 0.00 0.00 178.44 179.20 2ron h HIS 33 N -0.20 0.00 0.00 1.25 2.07 -1.08 -2.96 115.15 114.24 2ron h HIS 33 Ca 0.02 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.40 2ron h HIS 33 Cb 0.45 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.41 2ron h HIS 33 CO 0.06 0.00 -0.67 0.00 -3.07 0.00 0.00 177.93 174.25 2ron h ALA 34 N 2.02 0.87 0.12 6.11 0.00 -1.01 0.30 119.26 127.67 2ron h ALA 34 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 54.91 53.95 2ron h ALA 34 Cb 0.99 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ron h ALA 34 CO 0.00 0.84 -1.92 1.19 0.00 0.00 0.00 179.25 179.36 2ron n PHE 35 N -3.71 1.26 0.08 0.00 3.72 -0.80 -4.33 117.46 113.68 2ron n PHE 35 Ca -0.01 0.29 -0.20 0.00 -0.05 0.00 0.00 57.45 57.48 2ron n PHE 35 Cb 0.67 -1.16 -0.11 0.00 -0.94 0.00 0.00 39.48 37.94 2ron n PHE 35 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2ron h LEU 36 N -0.04 0.78 -9.61 4.37 5.85 -1.59 -3.47 115.31 111.61 2ron h LEU 36 Ca -0.42 -0.69 -0.62 0.00 0.84 0.00 0.00 57.88 56.99 2ron h LEU 36 Cb 1.96 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 42.62 2ron h LEU 36 CO 0.06 1.50 -0.62 -1.10 -0.34 0.00 0.00 178.44 177.95 2ron s GLN 37 N -3.08 1.94 -0.28 1.25 -0.21 0.11 -5.07 119.66 114.32 2ron s GLN 37 Ca -0.08 -2.05 -0.21 0.00 0.02 0.00 0.00 55.36 53.04 2ron s GLN 37 Cb 0.07 -1.68 0.11 0.00 1.00 0.00 0.00 33.01 32.51 2ron s GLN 37 CO 0.91 0.00 0.90 0.20 -2.12 0.00 0.00 175.29 175.18 2ron s GLY 38 N -3.69 -0.28 -0.90 3.09 0.00 -1.26 -4.11 107.32 100.17 2ron s GLY 38 Ca 0.35 2.62 -0.04 0.00 0.00 0.00 0.00 44.72 47.65 2ron s GLY 38 CO 0.18 2.10 0.78 1.18 0.00 0.00 0.00 173.10 177.34 2ron n GLU 39 N 3.03 -2.66 -4.03 2.90 -0.58 -1.26 -5.03 120.64 113.02 2ron n GLU 39 Ca -0.16 0.72 -0.25 0.00 -0.42 0.00 0.00 57.16 57.05 2ron n GLU 39 Cb 0.57 -5.15 -0.04 0.00 -0.57 0.00 0.00 31.44 26.25 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ron n GLU 41 N -0.59 1.68 -3.81 0.00 0.00 0.46 -4.84 120.64 113.53 2ron n GLU 41 Ca -0.08 0.61 -0.36 0.00 0.00 0.00 0.00 57.16 57.33 2ron n GLU 41 Cb 0.55 -2.32 -0.11 0.00 0.00 0.00 0.00 31.44 29.56 2ron n GLU 41 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 2ron s MET 42 N 1.10 3.89 -0.02 5.31 -1.94 0.10 -2.86 119.30 124.87 2ron s MET 42 Ca 0.83 -0.37 -0.05 0.00 -1.71 0.00 0.00 55.69 54.40 2ron s MET 42 Cb -0.82 -3.37 0.00 0.00 2.01 0.00 0.00 34.83 32.65 2ron s MET 42 CO 0.44 0.03 0.10 -1.17 -0.01 0.00 0.00 175.02 174.41 2ron s LEU 43 N 1.08 1.65 0.08 -0.03 2.96 -0.75 -1.02 118.68 122.64 2ron s LEU 43 Ca 0.05 -0.00 -0.27 0.00 -0.22 0.00 0.00 54.13 53.69 2ron s LEU 43 Cb -0.14 0.44 0.08 0.00 0.50 0.00 0.00 46.19 47.08 2ron s LEU 43 CO 0.04 -0.18 0.93 0.00 -1.32 0.00 0.00 176.35 175.82 2ron s ALA 44 N -0.59 -1.75 0.62 5.97 0.00 -0.15 -2.17 121.76 123.70 2ron s ALA 44 Ca -0.07 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 2ron s ALA 44 Cb -0.04 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2ron s ALA 44 CO 0.00 -0.88 1.03 0.00 0.00 0.00 0.00 175.76 175.92 2ron s ALA 45 N -3.19 2.93 0.08 0.00 0.00 -0.92 -0.75 121.76 119.91 2ron s ALA 45 Ca 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2ron s ALA 45 Cb -0.01 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2ron s ALA 45 CO -0.03 -0.76 0.08 -1.21 0.00 0.00 0.00 175.76 173.84 2ron s GLU 46 N -4.77 0.77 0.95 0.00 0.41 0.88 -4.58 118.70 112.37 2ron s GLU 46 Ca 0.58 -1.16 -0.12 0.00 -0.41 0.00 0.00 54.97 53.86 2ron s GLU 46 Cb -0.12 0.27 0.16 0.00 -1.78 0.00 0.00 34.13 32.66 2ron s GLU 46 CO 0.47 -0.21 1.09 -1.25 -0.49 0.00 0.00 175.26 174.88 2ron s PRO 47 N -3.92 0.79 0.04 0.39 0.04 -1.26 -2.43 135.00 128.64 2ron s PRO 47 Ca 0.09 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 2ron s PRO 47 Cb 0.06 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 2ron s PRO 47 CO -0.08 -2.52 1.42 -1.25 0.04 0.00 0.00 177.00 174.61 2ron s PRO 48 N -4.95 4.29 0.00 0.56 0.04 -1.26 -3.50 135.00 130.18 2ron s PRO 48 Ca 0.64 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2ron s PRO 48 Cb -0.18 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2ron s PRO 48 CO 0.57 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2ron n GLY 49 N 3.63 5.25 3.67 0.56 0.00 -1.26 -5.00 105.19 112.04 2ron n GLY 49 Ca 0.13 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2ron n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 50 N 2.99 2.59 0.00 1.61 3.76 -1.26 -4.81 115.29 120.18 2ron s HIS 50 Ca 0.00 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 2ron s HIS 50 Cb 0.00 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.99 2ron s HIS 50 CO 0.00 -2.66 0.00 0.41 -0.85 0.00 0.00 174.74 171.64 2ron n GLY 51 N 3.78 3.23 0.09 -2.22 0.00 -1.26 -4.93 105.19 103.88 2ron n GLY 51 Ca 0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 2ron n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ron h THR 52 N 0.00 0.93 -0.59 2.61 1.03 -2.05 -3.31 112.91 111.54 2ron h THR 52 Ca 0.00 -2.52 -0.22 0.00 -0.01 0.00 0.00 66.41 63.66 2ron h THR 52 Cb 0.00 2.39 -0.13 0.00 -1.07 0.00 0.00 68.15 69.34 2ron h THR 52 CO 0.00 0.53 0.19 -0.46 -0.01 0.00 0.00 175.52 175.78 2ron n ASN 53 N -3.11 3.80 -4.59 0.00 0.23 -1.26 -4.96 115.26 105.38 2ron n ASN 53 Ca -0.06 -3.41 -0.42 0.00 -0.53 0.00 0.00 54.58 50.15 2ron n ASN 53 Cb 0.88 -0.70 -0.03 0.00 -2.08 0.00 0.00 39.78 37.86 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2ron s GLN 54 N -3.09 3.29 -0.32 -3.83 -1.52 -1.25 -4.94 119.66 108.01 2ron s GLN 54 Ca 0.50 0.92 -0.02 0.00 -1.95 0.00 0.00 55.36 54.81 2ron s GLN 54 Cb 0.42 -4.16 0.12 0.00 -0.22 0.00 0.00 33.01 29.17 2ron s GLN 54 CO 0.08 -1.92 0.17 0.99 -0.25 0.00 0.00 175.29 174.37 2ron s THR 55 N 6.57 0.00 0.12 -0.19 2.01 -1.26 -3.00 115.64 119.90 2ron s THR 55 Ca 0.66 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2ron s THR 55 Cb -0.15 -1.03 -0.08 0.00 0.01 0.00 0.00 72.50 71.25 2ron s THR 55 CO 0.29 -0.83 1.59 0.77 -0.69 0.00 0.00 174.62 175.75 2ron h SER 56 N 7.79 -1.25 -2.06 3.53 4.64 -1.92 -3.46 113.55 120.82 2ron h SER 56 Ca -0.08 0.15 -0.40 0.00 -0.47 0.00 0.00 61.79 60.99 2ron h SER 56 Cb 1.00 0.49 -0.09 0.00 -0.31 0.00 0.00 62.40 63.48 2ron h SER 56 CO 0.36 -0.45 -0.43 0.00 -0.87 0.00 0.00 176.83 175.43 2ron n ALA 57 N -2.87 -0.46 -3.14 5.18 0.00 -1.26 -2.25 120.51 115.70 2ron n ALA 57 Ca -0.06 0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 2ron n ALA 57 Cb 0.37 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 17.87 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 -3.08 -6.42 -0.50 0.00 2.08 -1.26 -4.94 119.36 105.24 2ron n ILE 58 Ca -0.21 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.35 2ron n ILE 58 Cb 0.66 -5.25 0.00 0.00 -0.75 0.00 0.00 39.64 34.30 2ron n ILE 58 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2ron n GLU 59 N -3.40 1.44 -0.23 0.38 2.13 -0.95 -4.79 120.64 115.21 2ron n GLU 59 Ca -0.17 -0.98 0.08 0.00 0.66 0.00 0.00 57.16 56.75 2ron n GLU 59 Cb 0.63 -0.75 0.34 0.00 0.27 0.00 0.00 31.44 31.93 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2ron h ASP 60 N 0.00 0.71 0.14 4.31 3.04 -1.92 0.13 116.42 122.83 2ron h ASP 60 Ca 0.00 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.80 2ron h ASP 60 Cb 0.74 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 2ron h ASP 60 CO 0.00 0.43 -0.07 0.25 -2.04 0.00 0.00 179.24 177.81 2ron h LEU 61 N 0.80 -0.16 -1.99 0.15 5.85 -1.99 -1.23 115.31 116.74 2ron h LEU 61 Ca 0.37 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.29 2ron h LEU 61 Cb 0.38 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2ron h LEU 61 CO -0.14 -0.09 0.52 -0.08 -0.34 0.00 0.00 178.44 178.31 2ron h GLU 62 N -0.25 0.00 0.20 1.25 4.57 -1.89 0.17 114.58 118.63 2ron h GLU 62 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2ron h GLU 62 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2ron h GLU 62 CO 0.03 0.00 -0.10 1.49 -1.18 0.00 0.00 179.01 179.26 2ron h GLU 63 N 0.00 -0.26 0.16 1.92 4.57 -0.69 -2.13 114.58 118.15 2ron h GLU 63 Ca 0.32 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2ron h GLU 63 Cb 1.36 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 2ron h GLU 63 CO -0.00 -0.17 -0.15 -0.07 -1.18 0.00 0.00 179.01 177.43 2ron h LEU 64 N -0.40 -0.40 -0.17 1.64 3.38 -0.85 0.36 115.31 118.86 2ron h LEU 64 Ca -0.03 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ron h LEU 64 Cb 0.21 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2ron h LEU 64 CO 0.05 -0.23 -0.42 0.71 0.09 0.00 0.00 178.44 178.64 2ron h THR 65 N -0.33 0.00 -0.88 0.22 1.35 -0.80 0.31 112.91 112.77 2ron h THR 65 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.95 2ron h THR 65 Cb 0.32 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.67 2ron h THR 65 CO -0.04 0.00 0.57 -0.78 -0.25 0.00 0.00 175.52 175.02 2ron h ASP 66 N -0.40 0.80 0.35 5.36 3.58 -1.33 0.42 116.42 125.21 2ron h ASP 66 Ca 0.03 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2ron h ASP 66 Cb 0.50 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2ron h ASP 66 CO -0.37 0.48 0.00 -0.11 -2.88 0.00 0.00 179.24 176.36 2ron n LEU 67 N -4.52 0.00 -0.07 2.28 7.94 0.11 0.13 117.00 122.87 2ron n LEU 67 Ca 0.15 0.24 -0.09 0.00 -1.11 0.00 0.00 56.01 55.20 2ron n LEU 67 Cb 0.29 -0.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.92 2ron n LEU 67 CO 0.32 -0.07 -0.94 0.00 -1.11 0.00 0.00 177.39 175.59 2ron n TYR 68 N -1.24 0.00 -1.26 1.96 4.19 0.10 -4.62 117.16 116.29 2ron n TYR 68 Ca 0.11 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.35 2ron n TYR 68 Cb 0.16 -0.54 0.21 0.00 0.49 0.00 0.00 39.34 39.66 2ron n TYR 68 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2ron n LYS 69 N -2.81 2.13 -0.32 2.98 2.85 0.11 -4.72 118.16 118.39 2ron n LYS 69 Ca -0.24 -3.00 0.32 0.00 -1.05 0.00 0.00 58.31 54.34 2ron n LYS 69 Cb 0.79 -1.78 0.68 0.00 -0.65 0.00 0.00 35.03 34.07 2ron n LYS 69 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 2ron h GLN 70 N 1.15 0.11 0.03 -1.58 3.07 -0.51 -2.47 115.11 114.92 2ron h GLN 70 Ca 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.84 2ron h GLN 70 Cb 1.48 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 29.02 2ron h GLN 70 CO 0.27 0.07 -0.02 1.49 0.09 0.00 0.00 178.83 180.73 2ron h GLU 71 N 0.11 -0.04 -5.42 0.06 4.57 -1.84 -3.43 114.58 108.58 2ron h GLU 71 Ca 0.57 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 58.15 2ron h GLU 71 Cb 2.04 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 30.53 2ron h GLU 71 CO -0.10 -0.03 -0.21 -1.17 -1.18 0.00 0.00 179.01 176.32 2ron s LEU 72 N -4.28 4.16 0.33 1.64 1.98 -0.93 -5.06 118.68 116.52 2ron s LEU 72 Ca -0.01 0.51 -0.28 0.00 -2.89 0.00 0.00 54.13 51.46 2ron s LEU 72 Cb 0.00 -2.50 -0.10 0.00 0.66 0.00 0.00 46.19 44.25 2ron s LEU 72 CO 0.02 -0.07 1.23 0.21 -1.89 0.00 0.00 176.35 175.85 2ron s ASN 73 N 1.02 6.87 0.38 3.68 3.84 -1.26 -4.78 114.94 124.69 2ron s ASN 73 Ca 0.19 2.52 -0.13 0.00 0.21 0.00 0.00 52.86 55.65 2ron s ASN 73 Cb -0.15 -2.64 0.05 0.00 -0.55 0.00 0.00 41.25 37.96 2ron s ASN 73 CO 0.08 -0.45 0.73 -0.76 -2.79 0.00 0.00 177.10 173.91 2ron s LEU 74 N -1.80 0.21 0.25 3.21 1.43 -1.26 -5.16 118.68 115.55 2ron s LEU 74 Ca 0.49 -1.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2ron s LEU 74 Cb -0.36 2.59 -0.04 0.00 0.03 0.00 0.00 46.19 48.41 2ron s LEU 74 CO 0.48 -1.63 0.10 -0.13 0.23 0.00 0.00 176.35 175.40 2ron s ARG 75 N -2.41 2.65 0.00 1.70 1.81 -1.26 -5.10 118.95 116.34 2ron s ARG 75 Ca 0.18 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 2ron s ARG 75 Cb -0.04 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 2ron s ARG 75 CO 0.13 0.40 0.00 -0.35 -0.68 0.00 0.00 175.30 174.80 2ron n PRO 76 N -0.94 -0.31 -3.47 3.54 -0.04 -1.26 -5.03 135.00 127.49 2ron n PRO 76 Ca -0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 2ron n PRO 76 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 2ron n PRO 76 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ron s ASP 77 N -1.51 6.60 -0.03 3.54 1.47 -1.26 -5.01 116.67 120.47 2ron s ASP 77 Ca 0.00 0.86 -0.24 0.00 1.18 0.00 0.00 52.55 54.35 2ron s ASP 77 Cb 0.00 -2.20 -0.17 0.00 -0.34 0.00 0.00 42.92 40.20 2ron s ASP 77 CO 0.00 -0.05 1.08 0.03 0.68 0.00 0.00 175.17 176.91 2ron h ARG 78 N 2.61 -0.19 -7.02 2.11 3.08 -1.90 -3.45 114.38 109.62 2ron h ARG 78 Ca -0.47 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.09 2ron h ARG 78 Cb 1.17 0.04 0.06 0.00 0.08 0.00 0.00 29.97 31.33 2ron h ARG 78 CO 0.70 0.24 0.47 -1.25 -1.07 0.00 0.00 179.97 179.06 2ron s PRO 79 N -3.95 3.67 -0.30 0.04 0.04 -1.26 -4.47 135.00 128.77 2ron s PRO 79 Ca -0.14 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 2ron s PRO 79 Cb 0.01 -2.32 0.15 0.00 0.04 0.00 0.00 34.50 32.39 2ron s PRO 79 CO 0.56 -0.62 0.93 0.12 0.04 0.00 0.00 177.00 178.03 2ron s PHE 80 N -1.60 -0.75 -0.14 0.56 5.36 -0.10 -3.54 117.98 117.78 2ron s PHE 80 Ca 0.66 1.35 0.02 0.00 -0.96 0.00 0.00 56.93 58.00 2ron s PHE 80 Cb -0.27 0.45 0.01 0.00 -0.34 0.00 0.00 43.02 42.86 2ron s PHE 80 CO 0.33 -0.37 -0.21 0.14 -1.46 0.00 0.00 175.22 173.64 2ron s VAL 81 N 2.16 2.02 -0.11 3.12 -7.23 -0.07 -3.73 120.40 116.56 2ron s VAL 81 Ca -0.05 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 2ron s VAL 81 Cb -0.06 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2ron s VAL 81 CO -0.17 0.54 -0.23 -0.22 -0.31 0.00 0.00 175.10 174.71 2ron s LEU 82 N 0.87 2.08 -0.10 1.32 0.20 -1.23 0.11 118.68 121.93 2ron s LEU 82 Ca -0.06 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.21 2ron s LEU 82 Cb -0.15 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 2ron s LEU 82 CO -0.03 0.13 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.65 2ron s PHE 83 N 0.53 2.76 0.00 5.38 0.08 -0.22 -3.92 117.98 122.59 2ron s PHE 83 Ca -0.14 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.42 2ron s PHE 83 Cb -0.17 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2ron s PHE 83 CO 0.05 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.50 2ron n GLY 84 N 3.09 5.49 3.58 4.36 0.00 -1.26 -3.18 105.19 117.28 2ron n GLY 84 Ca -0.18 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 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 1.31 1.79 -2.08 1.61 -3.43 -1.26 -4.78 115.29 108.44 2ron s HIS 85 Ca 0.00 -1.24 0.30 0.00 -0.80 0.00 0.00 55.06 53.31 2ron s HIS 85 Cb 0.00 -1.25 1.67 0.00 -1.43 0.00 0.00 32.58 31.57 2ron s HIS 85 CO 0.00 -0.21 2.09 0.43 -2.00 0.00 0.00 174.74 175.05 2ron n SER 86 N -1.37 0.27 0.03 7.38 7.64 -1.26 -4.10 113.62 122.21 2ron n SER 86 Ca -0.09 -1.13 -0.01 0.00 1.01 0.00 0.00 58.87 58.64 2ron n SER 86 Cb 0.65 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.84 2ron n SER 86 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2ron h MET 87 N 0.41 -0.08 0.00 1.43 2.86 -1.99 -3.51 114.93 114.05 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 0.09 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2ron h MET 87 CO 0.00 -0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.33 2ron n GLY 88 N 0.67 1.73 0.00 8.32 0.00 -1.26 -5.10 105.19 109.55 2ron n GLY 88 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.55 -1.64 0.21 -0.02 0.00 -1.26 -4.80 105.19 97.13 2ron n GLY 89 Ca 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 46.02 46.69 2ron n GLY 89 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ron h MET 90 N 0.00 -0.44 -0.37 1.61 4.05 -1.97 -2.42 114.93 115.40 2ron h MET 90 Ca 0.00 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2ron h MET 90 Cb 0.00 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2ron h MET 90 CO 0.00 -0.13 0.09 0.82 0.23 0.00 0.00 176.91 177.92 2ron h ILE 91 N -0.76 1.22 -0.13 1.77 2.04 -1.97 0.24 117.51 119.92 2ron h ILE 91 Ca -0.05 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2ron h ILE 91 Cb 0.51 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 2ron h ILE 91 CO 0.08 0.26 -0.41 0.71 0.00 0.00 0.00 178.15 178.79 2ron h THR 92 N 0.44 0.16 -0.11 -0.27 1.35 -1.96 -1.32 112.91 111.21 2ron h THR 92 Ca 0.12 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.83 2ron h THR 92 Cb 0.30 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 2ron h THR 92 CO 0.00 0.00 -0.57 0.15 -0.25 0.00 0.00 175.52 174.85 2ron h PHE 93 N -0.48 0.41 0.09 4.73 3.04 -1.42 -2.12 116.94 121.19 2ron h PHE 93 Ca 0.08 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 61.89 2ron h PHE 93 Cb 0.62 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.01 2ron h PHE 93 CO -0.48 0.82 -0.46 -0.09 -2.02 0.00 0.00 178.31 176.08 2ron h ARG 94 N 0.25 -0.61 -0.43 1.11 2.43 0.32 0.53 114.38 117.98 2ron h ARG 94 Ca 0.00 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2ron h ARG 94 Cb 1.07 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2ron h ARG 94 CO 0.09 -0.41 -0.19 -0.07 -1.51 0.00 0.00 179.97 177.88 2ron h LEU 95 N -0.64 0.92 0.00 3.80 -0.00 -1.35 -2.12 115.31 115.92 2ron h LEU 95 Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2ron h LEU 95 Cb 0.65 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2ron h LEU 95 CO -0.26 1.11 0.00 0.00 -0.00 0.00 0.00 178.44 179.29 2ron n ALA 96 N -2.49 -0.19 -0.19 1.53 0.00 -0.80 -0.02 120.51 118.35 2ron n ALA 96 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ron n ALA 96 Cb 0.43 0.17 0.09 0.00 0.00 0.00 0.00 19.45 20.15 2ron n ALA 96 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ron h GLN 97 N 0.00 0.18 -0.77 0.00 5.75 -1.01 -0.39 115.11 118.87 2ron h GLN 97 Ca 0.00 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.63 2ron h GLN 97 Cb 0.00 -0.04 -0.10 0.00 1.07 0.00 0.00 27.48 28.41 2ron h GLN 97 CO 0.00 0.12 0.31 -0.22 -2.65 0.00 0.00 178.83 176.39 2ron h LYS 98 N 0.18 0.44 -0.08 1.69 1.63 -1.23 0.34 116.57 119.55 2ron h LYS 98 Ca 0.30 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.96 2ron h LYS 98 Cb 0.45 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2ron h LYS 98 CO -0.43 0.29 -0.44 1.25 -3.45 0.00 0.00 179.45 176.67 2ron h LEU 99 N 0.45 0.20 -0.21 5.20 7.12 0.11 0.22 115.31 128.40 2ron h LEU 99 Ca 0.42 -0.08 -0.21 0.00 0.13 0.00 0.00 57.88 58.14 2ron h LEU 99 Cb 0.65 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.73 2ron h LEU 99 CO -0.41 0.61 -0.71 -0.08 -0.13 0.00 0.00 178.44 177.73 2ron h GLU 100 N 0.15 0.81 0.13 1.25 4.57 0.55 -1.06 114.58 121.00 2ron h GLU 100 Ca 0.01 -0.61 -0.29 0.00 -1.18 0.00 0.00 59.36 57.29 2ron h GLU 100 Cb 0.84 0.11 0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2ron h GLU 100 CO 0.06 1.23 -1.21 0.07 -1.18 0.00 0.00 179.01 177.99 2ron h ARG 101 N 0.58 0.59 0.00 1.92 0.11 -0.35 -2.12 114.38 115.11 2ron h ARG 101 Ca -0.03 -0.81 -0.08 0.00 0.10 0.00 0.00 59.98 59.16 2ron h ARG 101 Cb 1.33 0.27 -0.01 0.00 1.11 0.00 0.00 29.97 32.67 2ron h ARG 101 CO 0.15 1.37 -0.40 1.05 0.10 0.00 0.00 179.97 182.24 2ron h GLU 102 N 0.20 0.00 0.00 0.08 -0.00 -0.63 -3.27 114.58 110.96 2ron h GLU 102 Ca -0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.15 2ron h GLU 102 Cb 1.90 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.64 2ron h GLU 102 CO 0.23 0.40 -0.10 0.78 -0.00 0.00 0.00 179.01 180.32 2ron h GLY 103 N 1.49 0.00 -6.24 1.06 0.00 -1.23 -3.47 103.07 94.68 2ron h GLY 103 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2ron h GLY 103 CO 0.05 0.00 -0.45 -0.42 0.00 0.00 0.00 176.54 175.72 2ron s ILE 104 N -2.15 -0.57 0.05 2.60 1.01 -0.80 -4.91 121.20 116.43 2ron s ILE 104 Ca -0.17 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 2ron s ILE 104 Cb -0.02 -0.66 -0.18 0.00 0.01 0.00 0.00 42.46 41.62 2ron s ILE 104 CO 0.59 0.02 1.44 0.15 0.00 0.00 0.00 174.94 177.14 2ron h PHE 105 N 8.21 -0.74 -1.54 3.97 3.57 -1.77 -3.40 116.94 125.24 2ron h PHE 105 Ca -0.16 -0.02 -0.43 0.00 3.53 0.00 0.00 57.97 60.89 2ron h PHE 105 Cb 1.12 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 2ron h PHE 105 CO 0.25 -0.42 1.14 -1.25 -2.23 0.00 0.00 178.31 175.81 2ron s PRO 106 N -5.48 2.60 0.44 6.41 0.04 -1.26 -4.97 135.00 132.78 2ron s PRO 106 Ca -0.16 0.30 0.08 0.00 0.04 0.00 0.00 61.00 61.26 2ron s PRO 106 Cb 0.03 -4.62 0.02 0.00 0.04 0.00 0.00 34.50 29.97 2ron s PRO 106 CO 0.57 -2.96 0.60 1.14 0.04 0.00 0.00 177.00 176.39 2ron s GLN 107 N 7.03 2.75 0.00 4.56 1.03 -1.26 -4.84 119.66 128.93 2ron s GLN 107 Ca 0.68 -1.30 0.00 0.00 0.04 0.00 0.00 55.36 54.78 2ron s GLN 107 Cb -0.11 -2.74 0.00 0.00 0.03 0.00 0.00 33.01 30.19 2ron s GLN 107 CO 0.13 -0.35 0.00 0.00 -2.54 0.00 0.00 175.29 172.53 2ron n ALA 108 N -1.91 1.78 -2.91 2.60 0.00 -1.26 -4.94 120.51 113.88 2ron n ALA 108 Ca 0.09 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 2ron n ALA 108 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 2ron n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ron s VAL 109 N -0.45 3.71 -0.10 0.00 -7.23 -1.26 -2.81 120.40 112.26 2ron s VAL 109 Ca 0.00 -0.43 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 2ron s VAL 109 Cb 0.00 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.39 2ron s VAL 109 CO 0.00 0.52 0.45 -0.63 -0.31 0.00 0.00 175.10 175.13 2ron s ILE 110 N 0.13 0.02 -0.05 -0.62 1.01 -0.79 -0.92 121.20 119.99 2ron s ILE 110 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.52 2ron s ILE 110 Cb -0.14 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2ron s ILE 110 CO 0.03 -0.09 -0.20 -0.51 0.00 0.00 0.00 174.94 174.17 2ron s ILE 111 N -0.53 1.66 -0.37 2.92 -1.16 -1.24 -3.16 121.20 119.32 2ron s ILE 111 Ca -0.06 -0.85 -0.02 0.00 -0.51 0.00 0.00 60.65 59.21 2ron s ILE 111 Cb -0.03 -1.42 0.09 0.00 0.61 0.00 0.00 42.46 41.71 2ron s ILE 111 CO 0.03 0.47 0.13 -0.94 -2.81 0.00 0.00 174.94 171.83 2ron s SER 112 N -0.03 5.10 0.60 4.50 1.04 -1.11 -3.55 113.70 120.26 2ron s SER 112 Ca -0.04 -1.86 0.08 0.00 0.48 0.00 0.00 55.95 54.62 2ron s SER 112 Cb -0.12 -1.77 0.10 0.00 0.10 0.00 0.00 66.02 64.32 2ron s SER 112 CO 0.03 -0.45 0.83 0.00 0.98 0.00 0.00 173.24 174.63 2ron s ALA 113 N 1.14 4.60 -1.09 5.32 0.00 -1.25 -3.90 121.76 126.58 2ron s ALA 113 Ca 0.05 -2.13 -0.06 0.00 0.00 0.00 0.00 51.96 49.83 2ron s ALA 113 Cb -0.21 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 2ron s ALA 113 CO -0.04 -0.97 0.92 -0.89 0.00 0.00 0.00 175.76 174.78 2ron n ILE 114 N -2.34 -8.38 -2.98 0.00 5.41 -1.26 -4.76 119.36 105.05 2ron n ILE 114 Ca 0.16 -1.17 -0.43 0.00 1.00 0.00 0.00 62.75 62.31 2ron n ILE 114 Cb 0.62 -6.10 -0.06 0.00 -0.71 0.00 0.00 39.64 33.39 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -4.68 3.43 1.00 0.38 -0.21 -1.25 -4.57 119.66 113.74 2ron s GLN 115 Ca 0.37 -0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.54 2ron s GLN 115 Cb -0.06 -3.93 0.19 0.00 1.00 0.00 0.00 33.01 30.22 2ron s GLN 115 CO 0.75 -1.08 1.09 -1.25 -2.12 0.00 0.00 175.29 172.68 2ron s PRO 116 N 3.22 0.44 0.12 2.91 0.04 -1.26 -2.13 135.00 138.34 2ron s PRO 116 Ca 0.29 0.52 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 2ron s PRO 116 Cb -0.12 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 2ron s PRO 116 CO 0.22 -2.73 1.45 -1.00 0.04 0.00 0.00 177.00 174.97 2ron h PRO 117 N -1.89 0.81 -6.53 0.56 0.13 -1.91 -3.41 132.00 119.75 2ron h PRO 117 Ca -0.54 -0.43 -0.59 0.00 -0.87 0.00 0.00 66.00 63.58 2ron h PRO 117 Cb 1.33 0.01 0.16 0.00 0.13 0.00 0.00 31.00 32.63 2ron h PRO 117 CO 0.57 1.06 -0.23 -2.39 -0.23 0.00 0.00 178.00 176.78 2ron n HIS 118 N -4.18 -0.12 -3.70 1.56 1.44 -1.25 -4.79 115.22 104.18 2ron n HIS 118 Ca -0.03 0.50 -0.11 0.00 -2.01 0.00 0.00 57.72 56.06 2ron n HIS 118 Cb 0.50 -2.03 -0.06 0.00 0.12 0.00 0.00 29.99 28.52 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 -1.56 0.08 0.12 0.61 -5.25 -1.26 -4.61 121.20 109.33 2ron s ILE 119 Ca 0.67 -0.64 -0.31 0.00 -0.99 0.00 0.00 60.65 59.39 2ron s ILE 119 Cb -0.50 -1.06 -0.09 0.00 2.95 0.00 0.00 42.46 43.76 2ron s ILE 119 CO 0.55 -0.35 1.52 -1.58 -1.79 0.00 0.00 174.94 173.28 2ron s GLN 120 N -3.08 4.25 -0.15 0.37 2.00 -1.26 -4.85 119.66 116.94 2ron s GLN 120 Ca -0.01 2.25 -0.29 0.00 -2.00 0.00 0.00 55.36 55.30 2ron s GLN 120 Cb 0.01 -3.28 -0.01 0.00 0.80 0.00 0.00 33.01 30.52 2ron s GLN 120 CO -0.07 -0.58 1.18 -0.98 -0.50 0.00 0.00 175.29 174.34 2ron s ARG 121 N 1.47 4.28 0.30 1.67 1.70 -1.26 -4.98 118.95 122.13 2ron s ARG 121 Ca 0.69 1.57 0.05 0.00 -0.47 0.00 0.00 55.73 57.57 2ron s ARG 121 Cb -0.40 -3.67 -0.03 0.00 -0.57 0.00 0.00 34.95 30.27 2ron s ARG 121 CO 0.31 -0.60 0.26 0.15 -1.08 0.00 0.00 175.30 174.33 2ron s LYS 122 N 3.04 1.64 -0.03 3.89 1.02 -1.26 -5.09 119.74 122.95 2ron s LYS 122 Ca 0.52 -1.91 -0.24 0.00 0.02 0.00 0.00 55.97 54.35 2ron s LYS 122 Cb -0.20 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 2ron s LYS 122 CO 0.14 -0.60 0.73 0.21 -0.92 0.00 0.00 175.35 174.91 2ron s LYS 123 N -3.59 4.45 -0.16 1.68 2.20 -1.26 -4.94 119.74 118.12 2ron s LYS 123 Ca 0.40 0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 56.66 2ron s LYS 123 Cb 0.03 -3.42 0.12 0.00 -1.51 0.00 0.00 37.83 33.05 2ron s LYS 123 CO 0.24 0.13 0.98 0.54 -0.36 0.00 0.00 175.35 176.87 2ron s VAL 124 N 0.54 0.00 -0.17 4.02 0.11 -1.26 -5.05 120.40 118.59 2ron s VAL 124 Ca 0.38 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.58 2ron s VAL 124 Cb -0.19 -1.00 0.36 0.00 -1.53 0.00 0.00 36.38 34.03 2ron s VAL 124 CO 0.20 0.00 1.20 -1.20 -3.33 0.00 0.00 175.10 171.97 2ron n SER 125 N 0.83 2.06 0.09 3.54 7.64 -1.26 -4.65 113.62 121.87 2ron n SER 125 Ca -0.11 -3.52 0.13 0.00 1.01 0.00 0.00 58.87 56.38 2ron n SER 125 Cb 0.58 -0.49 0.45 0.00 -1.01 0.00 0.00 64.21 63.74 2ron n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ron n HIS 126 N -1.26 0.75 -3.65 1.43 1.44 -1.26 -4.79 115.22 107.88 2ron n HIS 126 Ca 0.18 0.24 -0.12 0.00 -2.01 0.00 0.00 57.72 56.00 2ron n HIS 126 Cb 0.68 -0.88 -0.08 0.00 0.12 0.00 0.00 29.99 29.83 2ron n HIS 126 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2ron s LEU 127 N -4.26 -0.56 0.00 2.39 2.96 -1.26 -5.02 118.68 112.93 2ron s LEU 127 Ca 0.09 1.33 0.14 0.00 -0.22 0.00 0.00 54.13 55.48 2ron s LEU 127 Cb 0.12 2.23 0.65 0.00 0.50 0.00 0.00 46.19 49.69 2ron s LEU 127 CO 0.52 -0.23 1.44 -0.81 -1.32 0.00 0.00 176.35 175.95 2ron n PRO 128 N 3.08 0.07 -0.03 0.98 -0.04 -1.26 -2.01 135.00 135.79 2ron n PRO 128 Ca -0.15 0.22 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2ron n PRO 128 Cb 0.56 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.43 1.75 -0.25 3.54 8.00 -1.26 -4.66 116.55 122.24 2ron n ASP 129 Ca 0.05 -1.47 0.17 0.00 0.71 0.00 0.00 54.79 54.24 2ron n ASP 129 Cb 0.15 -0.03 0.47 0.00 -0.02 0.00 0.00 41.12 41.69 2ron n ASP 129 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2ron h ASP 130 N 0.93 0.48 -0.07 -2.24 3.04 -1.76 0.21 116.42 117.01 2ron h ASP 130 Ca 0.00 0.05 -0.08 0.00 -3.24 0.00 0.00 57.03 53.75 2ron h ASP 130 Cb 0.34 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 38.57 2ron h ASP 130 CO 0.00 0.20 -0.20 0.06 -2.04 0.00 0.00 179.24 177.26 2ron h GLN 131 N 0.49 0.46 0.01 4.15 3.07 -1.83 0.16 115.11 121.62 2ron h GLN 131 Ca 0.47 -0.15 -0.00 0.00 0.09 0.00 0.00 58.65 59.06 2ron h GLN 131 Cb 1.05 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.57 2ron h GLN 131 CO -0.20 0.64 -0.00 0.35 0.09 0.00 0.00 178.83 179.71 2ron h PHE 132 N 0.42 -0.01 0.00 0.06 3.57 -0.94 -2.11 116.94 117.92 2ron h PHE 132 Ca 0.07 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2ron h PHE 132 Cb 0.58 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2ron h PHE 132 CO 0.02 0.45 -0.32 1.37 -2.23 0.00 0.00 178.31 177.61 2ron h LEU 133 N -0.47 0.00 -0.33 0.59 8.10 -1.33 0.25 115.31 122.12 2ron h LEU 133 Ca -0.00 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.81 2ron h LEU 133 Cb 0.47 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2ron h LEU 133 CO 0.00 0.32 -0.52 0.44 -4.11 0.00 0.00 178.44 174.56 2ron h ASP 134 N 0.00 0.95 0.03 0.17 5.19 -0.63 -1.44 116.42 120.69 2ron h ASP 134 Ca -0.00 -0.50 -0.18 0.00 -0.62 0.00 0.00 57.03 55.72 2ron h ASP 134 Cb 0.79 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2ron h ASP 134 CO 0.04 1.29 -0.98 -0.74 -3.12 0.00 0.00 179.24 175.73 2ron h HIS 135 N 0.67 0.10 -0.72 4.55 2.76 -1.25 -3.36 115.15 117.90 2ron h HIS 135 Ca 0.02 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2ron h HIS 135 Cb 1.13 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.04 2ron h HIS 135 CO 0.07 1.38 0.48 0.82 -1.30 0.00 0.00 177.93 179.38 2ron h ILE 136 N -0.83 1.10 -7.07 6.26 1.08 -0.62 -3.45 117.51 113.98 2ron h ILE 136 Ca -0.25 -0.30 -0.61 0.00 -0.39 0.00 0.00 64.86 63.31 2ron h ILE 136 Cb 1.34 0.16 -0.37 0.00 -3.07 0.00 0.00 36.82 34.88 2ron h ILE 136 CO -0.09 0.16 -0.88 2.30 -0.69 0.00 0.00 178.15 178.94 2ron n ILE 137 N -4.46 -0.07 0.01 -0.67 -5.35 -0.54 -4.71 119.36 103.57 2ron n ILE 137 Ca 0.09 -0.03 -0.02 0.00 -0.27 0.00 0.00 62.75 62.52 2ron n ILE 137 Cb 0.13 -0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 37.51 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 138 N -3.98 0.09 -3.72 6.28 7.27 -1.26 -3.80 117.38 118.27 2ron n GLN 138 Ca 0.09 0.04 -0.30 0.00 0.07 0.00 0.00 57.00 56.89 2ron n GLN 138 Cb 0.45 -0.51 0.04 0.00 2.41 0.00 0.00 30.24 32.62 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 -3.26 -2.78 -0.05 1.69 4.77 -1.26 -0.49 117.00 115.62 2ron n LEU 139 Ca -0.02 -1.01 -0.01 0.00 -0.03 0.00 0.00 56.01 54.94 2ron n LEU 139 Cb 0.09 -2.38 -0.00 0.00 -2.33 0.00 0.00 43.42 38.79 2ron n LEU 139 CO 0.04 0.47 -0.01 0.61 -1.33 0.00 0.00 177.39 177.16 2ron n GLY 140 N -1.72 0.34 0.00 -0.72 0.00 -1.26 -4.88 105.19 96.96 2ron n GLY 140 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.35 -0.04 3.64 -0.02 0.00 0.35 -5.12 105.19 102.65 2ron n GLY 141 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2ron n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ron s MET 142 N 0.31 0.45 -1.07 1.61 1.75 -1.26 -5.07 119.30 116.02 2ron s MET 142 Ca 0.00 0.67 -0.23 0.00 -1.25 0.00 0.00 55.69 54.88 2ron s MET 142 Cb 0.00 0.15 -0.11 0.00 2.84 0.00 0.00 34.83 37.71 2ron s MET 142 CO 0.00 -0.08 1.93 -0.35 -0.65 0.00 0.00 175.02 175.87 2ron n PRO 143 N 3.13 1.54 -4.24 4.11 -0.04 -1.26 -4.56 135.00 133.67 2ron n PRO 143 Ca -0.16 -2.30 -0.32 0.00 -0.04 0.00 0.00 63.50 60.67 2ron n PRO 143 Cb 0.57 -3.53 -0.08 0.00 -0.04 0.00 0.00 33.50 30.42 2ron n PRO 143 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ron s ALA 144 N 9.66 3.33 0.00 0.55 0.00 -1.26 -4.99 121.76 129.05 2ron s ALA 144 Ca 0.66 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2ron s ALA 144 Cb 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2ron s ALA 144 CO 0.14 0.66 0.00 0.39 0.00 0.00 0.00 175.76 176.94 2ron n GLU 145 N 1.29 0.53 0.13 0.00 1.02 -1.26 -4.62 120.64 117.74 2ron n GLU 145 Ca -0.14 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.13 2ron n GLU 145 Cb 0.53 -0.66 0.35 0.00 -0.02 0.00 0.00 31.44 31.63 2ron n GLU 145 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2ron h LEU 146 N 0.00 0.00 0.00 -4.62 -0.00 -2.03 -3.18 115.31 105.48 2ron h LEU 146 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2ron h LEU 146 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2ron h LEU 146 CO 0.00 0.00 -1.53 1.33 -0.00 0.00 0.00 178.44 178.24 2ron n VAL 147 N -2.47 0.12 -0.13 0.15 0.24 -1.26 -4.25 118.33 110.72 2ron n VAL 147 Ca 0.05 -0.38 0.26 0.00 -2.04 0.00 0.00 64.34 62.23 2ron n VAL 147 Cb 0.46 0.14 0.72 0.00 -1.47 0.00 0.00 33.84 33.68 2ron n VAL 147 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2ron h GLU 148 N 0.00 0.00 0.00 7.34 -0.00 -1.81 0.13 114.58 120.25 2ron h GLU 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2ron h GLU 148 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.62 2ron h GLU 148 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 179.01 179.10 2ron n ASN 149 N -4.28 0.00 -0.01 3.06 4.13 -1.26 -2.28 115.26 114.62 2ron n ASN 149 Ca 0.16 0.59 0.23 0.00 1.68 0.00 0.00 54.58 57.24 2ron n ASN 149 Cb 0.87 -0.25 0.72 0.00 -1.54 0.00 0.00 39.78 39.58 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2ron h LYS 150 N 0.00 0.00 0.92 3.52 2.10 -1.79 -1.93 116.57 119.40 2ron h LYS 150 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2ron h LYS 150 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2ron h LYS 150 CO 0.00 0.00 -0.44 0.93 -2.00 0.00 0.00 179.45 177.94 2ron h GLU 151 N 0.00 -1.20 0.00 0.07 5.08 -0.76 -0.08 114.58 117.69 2ron h GLU 151 Ca 0.28 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2ron h GLU 151 Cb 1.27 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2ron h GLU 151 CO -0.00 -0.80 0.00 -0.24 -1.00 0.00 0.00 179.01 176.97 2ron h VAL 152 N -1.24 0.00 0.00 3.13 3.04 -0.92 0.76 116.25 121.01 2ron h VAL 152 Ca -0.13 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2ron h VAL 152 Cb 0.95 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 2ron h VAL 152 CO 0.21 0.00 -0.69 0.23 -1.01 0.00 0.00 177.57 176.31 2ron n MET 153 N -2.41 0.12 0.00 4.17 2.81 -0.85 -4.20 117.12 116.76 2ron n MET 153 Ca -0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2ron n MET 153 Cb 0.11 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2ron n MET 153 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2ron n SER 154 N -1.72 0.00 -0.45 7.83 3.41 0.02 -4.52 113.62 118.19 2ron n SER 154 Ca 0.04 0.00 0.38 0.00 -0.26 0.00 0.00 58.87 59.03 2ron n SER 154 Cb 0.38 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.03 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2ron h PHE 155 N 0.00 0.25 -4.73 7.33 -1.00 0.25 -3.44 116.94 115.60 2ron h PHE 155 Ca 0.00 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 2ron h PHE 155 Cb 0.00 -0.07 0.06 0.00 3.61 0.00 0.00 35.95 39.56 2ron h PHE 155 CO 0.00 -0.05 -0.27 0.34 -1.61 0.00 0.00 178.31 176.72 2ron n PHE 156 N -4.33 -1.99 -1.11 -0.55 -0.00 -0.92 -4.27 117.46 104.29 2ron n PHE 156 Ca 0.33 0.73 -0.35 0.00 -0.00 0.00 0.00 57.45 58.17 2ron n PHE 156 Cb 1.43 -3.51 0.08 0.00 -0.00 0.00 0.00 39.48 37.48 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 -2.07 0.10 -1.67 -2.13 -0.00 -1.26 -4.62 117.00 105.35 2ron n LEU 157 Ca -0.02 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 2ron n LEU 157 Cb 0.54 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 2ron n LEU 157 CO 0.40 -3.44 0.46 -0.81 -0.00 0.00 0.00 177.39 174.00 2ron n PRO 158 N -0.82 0.49 -3.88 1.47 -0.04 -1.26 -4.54 135.00 126.41 2ron n PRO 158 Ca 0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 2ron n PRO 158 Cb 0.51 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.58 2ron n PRO 158 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ron s SER 159 N 1.89 4.14 0.10 3.54 0.15 -1.26 -4.91 113.70 117.35 2ron s SER 159 Ca 0.00 -2.87 -0.29 0.00 0.70 0.00 0.00 55.95 53.49 2ron s SER 159 Cb 0.00 -1.47 -0.12 0.00 -1.71 0.00 0.00 66.02 62.72 2ron s SER 159 CO 0.00 -0.25 1.64 -0.26 1.20 0.00 0.00 173.24 175.57 2ron h PHE 160 N 6.61 -0.74 -0.78 3.44 0.04 -1.96 0.63 116.94 124.17 2ron h PHE 160 Ca -0.06 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.90 2ron h PHE 160 Cb 0.91 0.29 -0.13 0.00 2.20 0.00 0.00 35.95 39.22 2ron h PHE 160 CO 0.51 -0.40 0.12 0.00 -0.60 0.00 0.00 178.31 177.93 2ron h ARG 161 N -0.59 0.18 0.15 1.51 3.08 -1.96 0.76 114.38 117.50 2ron h ARG 161 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2ron h ARG 161 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2ron h ARG 161 CO -0.06 0.12 -0.07 1.03 -1.07 0.00 0.00 179.97 179.92 2ron h SER 162 N 0.18 -0.17 -0.14 7.04 0.87 -1.88 -1.98 113.55 117.49 2ron h SER 162 Ca 0.45 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 61.05 2ron h SER 162 Cb 0.82 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 2ron h SER 162 CO -0.61 -0.07 -0.52 -0.78 -0.53 0.00 0.00 176.83 174.31 2ron h ASP 163 N -0.29 -1.67 -0.19 6.23 3.58 -0.64 0.66 116.42 124.10 2ron h ASP 163 Ca -0.02 0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.65 2ron h ASP 163 Cb 0.15 0.65 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 2ron h ASP 163 CO 0.03 -0.46 -0.31 0.22 -2.88 0.00 0.00 179.24 175.84 2ron h TYR 164 N -0.56 -0.94 -0.03 0.28 5.03 0.41 0.50 116.97 121.66 2ron h TYR 164 Ca 0.03 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.39 2ron h TYR 164 Cb 0.65 0.44 -0.00 0.00 1.55 0.00 0.00 36.73 39.37 2ron h TYR 164 CO -0.59 -0.28 0.11 -0.09 -1.32 0.00 0.00 178.16 175.99 2ron h ARG 165 N -0.24 0.00 0.00 1.82 1.12 -1.09 0.65 114.38 116.63 2ron h ARG 165 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2ron h ARG 165 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 2ron h ARG 165 CO -0.31 0.00 -0.37 0.00 -3.11 0.00 0.00 179.97 176.18 2ron h ALA 166 N 1.81 0.78 -0.00 2.80 0.00 0.45 0.38 119.26 125.49 2ron h ALA 166 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ron h ALA 166 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ron h ALA 166 CO -0.00 0.00 -0.23 1.28 0.00 0.00 0.00 179.25 180.30 2ron n LEU 167 N -2.50 0.76 0.00 0.00 7.99 0.13 -4.75 117.00 118.63 2ron n LEU 167 Ca 0.03 -0.66 0.00 0.00 -0.01 0.00 0.00 56.01 55.38 2ron n LEU 167 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2ron n LEU 167 CO 0.35 0.16 -0.23 -0.62 -1.51 0.00 0.00 177.39 175.54 2ron n GLU 168 N -0.65 0.16 -2.15 3.23 -0.58 0.19 -5.03 120.64 115.81 2ron n GLU 168 Ca 0.02 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.56 2ron n GLU 168 Cb 0.14 -0.73 -0.03 0.00 -0.57 0.00 0.00 31.44 30.24 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 -1.90 -1.55 0.00 3.49 6.02 0.13 -4.81 117.38 118.76 2ron n GLN 169 Ca 0.00 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 58.03 2ron n GLN 169 Cb 0.23 -5.59 0.00 0.00 1.02 0.00 0.00 30.24 25.91 2ron n GLN 169 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ron n PHE 170 N -3.55 0.00 -1.05 1.08 3.72 -1.26 -5.06 117.46 111.34 2ron n PHE 170 Ca -0.23 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.82 2ron n PHE 170 Cb 0.68 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.30 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 -0.19 0.04 -4.61 -1.08 -0.58 -1.26 -5.02 120.64 107.93 2ron n GLU 171 Ca 0.00 0.06 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 2ron n GLU 171 Cb 0.03 -1.78 -0.08 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 -0.05 2.09 0.11 -4.62 1.02 -1.26 -5.02 118.68 110.95 2ron s LEU 172 Ca 0.60 -1.69 0.23 0.00 0.02 0.00 0.00 54.13 53.30 2ron s LEU 172 Cb -0.28 -0.32 0.91 0.00 0.02 0.00 0.00 46.19 46.52 2ron s LEU 172 CO 0.63 -0.92 1.71 -1.22 0.02 0.00 0.00 176.35 176.57 2ron n TYR 173 N -1.05 0.42 -4.07 0.29 4.01 -1.26 -4.57 117.16 110.93 2ron n TYR 173 Ca -0.11 0.14 -0.32 0.00 -0.16 0.00 0.00 57.90 57.46 2ron n TYR 173 Cb 0.66 -0.73 -0.16 0.00 -0.31 0.00 0.00 39.34 38.80 2ron n TYR 173 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2ron s ASP 174 N -3.66 3.33 0.00 7.72 -1.08 -1.26 -4.94 116.67 116.77 2ron s ASP 174 Ca 0.09 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.32 2ron s ASP 174 Cb 0.12 -1.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.20 2ron s ASP 174 CO 0.44 -0.07 0.42 0.00 0.52 0.00 0.00 175.17 176.47 2ron n LEU 175 N 4.63 0.78 -4.77 -1.34 -0.00 -1.26 -5.07 117.00 109.97 2ron n LEU 175 Ca -0.18 -0.78 -0.31 0.00 -0.00 0.00 0.00 56.01 54.74 2ron n LEU 175 Cb 0.48 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 44.00 2ron n LEU 175 CO 0.23 0.20 0.69 0.00 -0.00 0.00 0.00 177.39 178.51 2ron s ALA 176 N -0.12 2.14 -0.98 1.47 0.00 -1.26 -4.22 121.76 118.80 2ron s ALA 176 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 2ron s ALA 176 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2ron s ALA 176 CO 0.00 -1.82 0.86 1.04 0.00 0.00 0.00 175.76 175.83 2ron n GLN 177 N -3.54 -2.65 -3.72 0.00 6.02 -1.13 -4.98 117.38 107.38 2ron n GLN 177 Ca 0.08 0.80 -0.19 0.00 -0.01 0.00 0.00 57.00 57.68 2ron n GLN 177 Cb 0.54 -5.50 -0.17 0.00 1.02 0.00 0.00 30.24 26.13 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 -3.35 -0.05 -0.29 5.09 1.01 -1.26 -5.05 121.20 117.29 2ron s ILE 178 Ca 0.36 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 2ron s ILE 178 Cb -0.05 -0.16 0.13 0.00 0.01 0.00 0.00 42.46 42.40 2ron s ILE 178 CO 0.68 0.16 0.96 0.00 0.00 0.00 0.00 174.94 176.74 2ron s GLN 179 N 1.81 0.44 0.01 2.79 -2.07 -1.26 -2.89 119.66 118.49 2ron s GLN 179 Ca 0.01 0.70 0.00 0.00 -1.82 0.00 0.00 55.36 54.24 2ron s GLN 179 Cb -0.12 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 2ron s GLN 179 CO -0.03 -0.08 0.00 0.45 -1.32 0.00 0.00 175.29 174.31 2ron n SER 180 N 3.42 -0.13 -3.01 12.60 2.88 -1.26 -4.73 113.62 123.38 2ron n SER 180 Ca -0.17 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2ron n SER 180 Cb 0.57 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ron n PRO 181 N -2.81 -0.01 -4.03 -1.46 -0.04 -1.26 -3.89 135.00 121.49 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 -0.17 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 -0.50 1.49 -0.04 0.52 1.01 -1.12 -2.42 120.40 119.34 2ron s VAL 182 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2ron s VAL 182 Cb 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2ron s VAL 182 CO 0.00 0.45 0.01 -1.00 0.00 0.00 0.00 175.10 174.55 2ron s HIS 183 N 1.49 0.38 -0.02 5.22 3.76 -0.83 -1.88 115.29 123.42 2ron s HIS 183 Ca 0.04 -0.01 0.06 0.00 -0.15 0.00 0.00 55.06 55.00 2ron s HIS 183 Cb -0.13 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 2ron s HIS 183 CO -0.10 -0.19 -0.20 0.08 -0.85 0.00 0.00 174.74 173.48 2ron s VAL 184 N 1.44 2.56 0.03 -0.90 1.01 -1.19 -3.74 120.40 119.62 2ron s VAL 184 Ca -0.04 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.05 2ron s VAL 184 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2ron s VAL 184 CO -0.03 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.06 2ron s PHE 185 N -0.70 1.83 0.30 5.22 0.08 -0.20 -2.73 117.98 121.78 2ron s PHE 185 Ca 0.11 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.67 2ron s PHE 185 Cb -0.10 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2ron s PHE 185 CO 0.00 0.07 0.57 0.54 -0.10 0.00 0.00 175.22 176.30 2ron s ASN 186 N -1.04 0.12 0.56 1.36 4.22 -1.25 -1.45 114.94 117.45 2ron s ASN 186 Ca 0.08 -1.04 0.00 0.00 -2.14 0.00 0.00 52.86 49.75 2ron s ASN 186 Cb -0.09 0.67 0.00 0.00 1.28 0.00 0.00 41.25 43.12 2ron s ASN 186 CO 0.01 -1.31 0.00 0.61 -2.04 0.00 0.00 177.10 174.38 2ron n GLY 187 N -0.46 0.88 4.38 0.45 0.00 0.19 -3.95 105.19 106.68 2ron n GLY 187 Ca -0.03 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.78 0.02 0.99 -0.00 -0.90 -3.42 117.00 112.91 2ron n LEU 188 Ca 0.00 -1.10 0.18 0.00 -0.00 0.00 0.00 56.01 55.09 2ron n LEU 188 Cb 0.00 -1.56 0.67 0.00 -0.00 0.00 0.00 43.42 42.53 2ron n LEU 188 CO 0.00 0.09 1.17 0.44 -0.00 0.00 0.00 177.39 179.10 2ron h ASP 189 N -0.81 0.04 0.00 1.45 3.32 -1.89 -3.05 116.42 115.48 2ron h ASP 189 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2ron h ASP 189 Cb 1.36 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2ron h ASP 189 CO 0.82 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.46 2ron n ASP 190 N -4.41 0.00 -4.55 6.45 5.68 -1.26 -0.14 116.55 118.32 2ron n ASP 190 Ca 0.08 0.85 -0.27 0.00 -0.50 0.00 0.00 54.79 54.95 2ron n ASP 190 Cb 0.53 -0.35 -0.10 0.00 -1.14 0.00 0.00 41.12 40.06 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2ron s LYS 191 N -2.40 1.99 0.00 0.11 2.20 -1.15 -3.05 119.74 117.43 2ron s LYS 191 Ca 0.00 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 2ron s LYS 191 Cb 0.00 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 2ron s LYS 191 CO 0.00 0.44 0.00 1.17 -0.36 0.00 0.00 175.35 176.60 2ron n LYS 192 N 0.19 0.62 -0.33 4.03 4.81 -1.26 -4.77 118.16 121.45 2ron n LYS 192 Ca -0.12 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.38 2ron n LYS 192 Cb 0.55 -0.84 0.22 0.00 0.02 0.00 0.00 35.03 34.98 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ron h ILE 194 N 0.85 0.91 0.30 0.00 -0.00 -1.99 0.18 117.51 117.77 2ron h ILE 194 Ca 0.46 -0.17 -0.01 0.00 -0.00 0.00 0.00 64.86 65.14 2ron h ILE 194 Cb 0.50 0.38 0.00 0.00 -0.00 0.00 0.00 36.82 37.70 2ron h ILE 194 CO -0.28 0.09 -0.14 -0.09 -0.00 0.00 0.00 178.15 177.72 2ron h ARG 195 N 0.49 -0.39 -0.09 2.19 2.43 -1.28 -1.92 114.38 115.82 2ron h ARG 195 Ca 0.30 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 2ron h ARG 195 Cb 0.51 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2ron h ARG 195 CO -0.09 -0.16 0.13 -0.44 -1.51 0.00 0.00 179.97 177.90 2ron h ASP 196 N -1.06 0.00 0.10 -3.80 5.19 -1.20 0.40 116.42 116.05 2ron h ASP 196 Ca -0.04 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2ron h ASP 196 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2ron h ASP 196 CO 0.07 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 176.14 2ron h ALA 197 N 1.82 -0.13 0.00 3.45 0.00 -0.65 -2.07 119.26 121.68 2ron h ALA 197 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ron h ALA 197 Cb 0.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ron h ALA 197 CO -0.00 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.49 2ron n GLU 198 N -4.83 0.44 -0.09 0.00 4.71 -0.73 -1.92 120.64 118.23 2ron n GLU 198 Ca -0.05 0.05 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 2ron n GLU 198 Cb 0.20 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 29.01 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ron n GLY 199 N 0.73 -0.43 0.16 0.62 0.00 0.14 -4.40 105.19 102.00 2ron n GLY 199 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2ron n GLY 199 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2ron h TRP 200 N -0.04 0.00 -0.88 1.61 2.91 -1.37 -3.30 115.95 114.88 2ron h TRP 200 Ca -0.53 0.00 0.21 0.00 1.13 0.00 0.00 58.89 59.69 2ron h TRP 200 Cb 1.92 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 30.51 2ron h TRP 200 CO 0.04 0.15 0.59 1.57 -1.03 0.00 0.00 178.44 179.76 2ron h LYS 201 N 0.00 0.33 0.00 2.65 5.09 -1.59 0.26 116.57 123.31 2ron h LYS 201 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.70 2ron h LYS 201 Cb 1.13 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.39 2ron h LYS 201 CO 0.02 0.22 -1.11 0.36 -2.09 0.00 0.00 179.45 176.84 2ron n LYS 202 N -4.48 0.30 -1.88 0.07 2.85 -1.25 -4.93 118.16 108.84 2ron n LYS 202 Ca 0.19 -0.02 -0.18 0.00 -1.05 0.00 0.00 58.31 57.25 2ron n LYS 202 Cb 0.72 -1.58 -0.05 0.00 -0.65 0.00 0.00 35.03 33.47 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -1.95 -0.56 -3.68 5.58 7.02 0.92 -2.86 117.44 121.91 2ron n TRP 203 Ca 0.02 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.14 2ron n TRP 203 Cb 0.44 -3.29 -0.07 0.00 -2.42 0.00 0.00 31.31 25.97 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 -2.66 3.68 -0.27 6.99 0.00 -1.26 -4.51 121.76 123.72 2ron s ALA 204 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2ron s ALA 204 Cb 0.00 -2.22 0.09 0.00 0.00 0.00 0.00 23.12 20.99 2ron s ALA 204 CO 0.00 0.20 0.12 0.15 0.00 0.00 0.00 175.76 176.22 2ron s LYS 205 N 0.21 0.24 0.98 0.00 3.01 -1.14 -4.94 119.74 118.10 2ron s LYS 205 Ca 0.12 -0.52 -0.15 0.00 -1.01 0.00 0.00 55.97 54.41 2ron s LYS 205 Cb -0.12 -1.36 -0.03 0.00 -1.01 0.00 0.00 37.83 35.31 2ron s LYS 205 CO 0.01 -0.96 -0.12 -0.25 0.51 0.00 0.00 175.35 174.55 2ron n ASP 206 N 5.21 -3.44 0.13 2.83 8.00 -1.26 -4.62 116.55 123.40 2ron n ASP 206 Ca -0.06 0.23 0.19 0.00 0.71 0.00 0.00 54.79 55.86 2ron n ASP 206 Cb 0.43 -1.01 0.75 0.00 -0.02 0.00 0.00 41.12 41.27 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2ron h ILE 207 N -1.40 0.30 -2.54 0.53 6.09 -1.59 -3.29 117.51 115.61 2ron h ILE 207 Ca -0.44 0.00 -0.53 0.00 -1.37 0.00 0.00 64.86 62.51 2ron h ILE 207 Cb 1.30 0.63 -0.38 0.00 0.47 0.00 0.00 36.82 38.84 2ron h ILE 207 CO 0.30 0.00 -0.80 -0.89 -3.07 0.00 0.00 178.15 173.69 2ron s THR 208 N -4.51 0.00 -0.07 2.19 2.01 -1.22 -5.05 115.64 108.99 2ron s THR 208 Ca -0.04 -1.33 0.05 0.00 0.31 0.00 0.00 61.69 60.68 2ron s THR 208 Cb 0.14 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2ron s THR 208 CO 0.49 -0.86 -0.24 0.72 -0.69 0.00 0.00 174.62 174.05 2ron s PHE 209 N 1.44 2.39 -0.13 4.92 -0.71 -1.24 -1.96 117.98 122.69 2ron s PHE 209 Ca 0.15 -0.80 -0.04 0.00 -1.04 0.00 0.00 56.93 55.20 2ron s PHE 209 Cb -0.20 -1.58 0.06 0.00 -1.21 0.00 0.00 43.02 40.09 2ron s PHE 209 CO -0.11 -0.28 0.12 -1.58 -1.34 0.00 0.00 175.22 172.03 2ron s HIS 210 N 0.04 0.01 0.09 3.49 2.46 -1.24 -5.03 115.29 115.09 2ron s HIS 210 Ca -0.09 0.08 -0.05 0.00 0.47 0.00 0.00 55.06 55.47 2ron s HIS 210 Cb -0.15 -0.50 -0.05 0.00 -0.13 0.00 0.00 32.58 31.74 2ron s HIS 210 CO 0.05 -0.41 0.33 -0.65 -2.47 0.00 0.00 174.74 171.59 2ron s GLN 211 N 2.21 3.60 -0.21 2.88 -0.21 -1.25 -1.03 119.66 125.65 2ron s GLN 211 Ca 0.04 -0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.27 2ron s GLN 211 Cb -0.14 -2.95 0.10 0.00 1.00 0.00 0.00 33.01 31.01 2ron s GLN 211 CO -0.08 0.55 0.24 0.12 -2.12 0.00 0.00 175.29 174.01 2ron s PHE 212 N -1.51 -0.35 -0.05 0.91 5.36 -0.53 -4.95 117.98 116.86 2ron s PHE 212 Ca 0.36 0.29 0.06 0.00 -0.96 0.00 0.00 56.93 56.67 2ron s PHE 212 Cb -0.13 -0.32 -0.01 0.00 -0.34 0.00 0.00 43.02 42.23 2ron s PHE 212 CO 0.22 -0.63 -0.23 0.16 -1.46 0.00 0.00 175.22 173.28 2ron s ASP 213 N 2.36 2.80 0.00 6.13 1.47 -1.26 -0.63 116.67 127.54 2ron s ASP 213 Ca 0.08 -0.46 0.00 0.00 1.18 0.00 0.00 52.55 53.35 2ron s ASP 213 Cb -0.16 -0.67 0.00 0.00 -0.34 0.00 0.00 42.92 41.75 2ron s ASP 213 CO -0.13 0.23 0.00 0.61 0.68 0.00 0.00 175.17 176.56 2ron n GLY 214 N 2.89 0.14 0.00 2.12 0.00 -1.22 -4.64 105.19 104.48 2ron n GLY 214 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.13 0.75 0.00 -0.02 0.00 0.50 -4.79 105.19 103.75 2ron n GLY 215 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.82 1.61 1.44 0.80 -4.07 115.22 114.18 2ron n HIS 216 Ca 0.00 -0.21 -0.34 0.00 -2.01 0.00 0.00 57.72 55.16 2ron n HIS 216 Cb 0.00 -0.02 0.11 0.00 0.12 0.00 0.00 29.99 30.20 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 -0.21 -0.61 -0.21 -1.40 0.00 -1.17 -4.13 117.12 109.38 2ron n MET 217 Ca 0.00 -0.16 0.29 0.00 0.00 0.00 0.00 57.70 57.83 2ron n MET 217 Cb 0.32 -1.56 0.72 0.00 0.00 0.00 0.00 33.22 32.69 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 -1.56 0.04 0.00 1.12 3.57 -1.93 0.11 116.94 118.29 2ron h PHE 218 Ca -0.46 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.69 2ron h PHE 218 Cb 1.32 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.00 2ron h PHE 218 CO 0.24 0.01 -2.21 -0.11 -2.23 0.00 0.00 178.31 174.01 2ron n LEU 219 N -4.27 2.11 -0.28 0.59 7.94 -1.26 -4.16 117.00 117.68 2ron n LEU 219 Ca 0.20 0.12 0.18 0.00 -1.11 0.00 0.00 56.01 55.40 2ron n LEU 219 Cb 1.00 -0.68 0.47 0.00 0.53 0.00 0.00 43.42 44.74 2ron n LEU 219 CO 0.39 0.61 1.22 -0.07 -1.11 0.00 0.00 177.39 178.43 2ron h LEU 220 N -0.48 0.50 -0.48 -1.96 3.38 -1.79 0.20 115.31 114.68 2ron h LEU 220 Ca -0.52 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 2ron h LEU 220 Cb 1.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2ron h LEU 220 CO -0.23 0.19 -0.65 -1.28 0.09 0.00 0.00 178.44 176.55 2ron h SER 221 N 0.49 0.50 -0.48 -0.43 0.87 -0.93 -3.20 113.55 110.38 2ron h SER 221 Ca 0.51 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 2ron h SER 221 Cb 1.14 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2ron h SER 221 CO -0.23 1.01 -0.08 -0.61 -0.53 0.00 0.00 176.83 176.39 2ron h GLN 222 N 0.31 0.90 -4.89 2.24 4.15 -0.83 -3.37 115.11 113.61 2ron h GLN 222 Ca -0.01 -0.33 -0.69 0.00 0.77 0.00 0.00 58.65 58.38 2ron h GLN 222 Cb 1.20 -0.06 -0.18 0.00 0.21 0.00 0.00 27.48 28.65 2ron h GLN 222 CO 0.11 0.98 0.60 0.99 -1.93 0.00 0.00 178.83 179.58 2ron s THR 223 N -4.86 4.79 0.50 2.39 2.01 -0.41 -4.86 115.64 115.20 2ron s THR 223 Ca -0.12 -1.42 0.25 0.00 0.31 0.00 0.00 61.69 60.70 2ron s THR 223 Cb 0.12 -4.69 0.29 0.00 0.01 0.00 0.00 72.50 68.23 2ron s THR 223 CO 0.84 -1.39 2.13 -0.08 -0.69 0.00 0.00 174.62 175.43 2ron h GLU 224 N 8.87 0.00 -0.11 4.92 4.81 -1.77 -2.64 114.58 128.66 2ron h GLU 224 Ca 0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2ron h GLU 224 Cb 1.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2ron h GLU 224 CO 1.07 0.08 0.05 0.93 -0.73 0.00 0.00 179.01 180.41 2ron h GLU 225 N 0.00 0.16 -0.91 1.92 5.08 -1.91 -1.91 114.58 117.01 2ron h GLU 225 Ca -0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2ron h GLU 225 Cb 0.18 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2ron h GLU 225 CO 0.01 0.26 0.58 0.28 -1.00 0.00 0.00 179.01 179.14 2ron h VAL 226 N 0.03 1.07 0.65 3.13 2.07 -1.80 0.12 116.25 121.53 2ron h VAL 226 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2ron h VAL 226 Cb 0.16 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2ron h VAL 226 CO -0.00 0.19 -0.31 0.00 0.02 0.00 0.00 177.57 177.47 2ron h ALA 227 N 1.42 -1.12 -0.20 1.67 0.00 -1.45 -1.74 119.26 117.83 2ron h ALA 227 Ca 0.39 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2ron h ALA 227 Cb 0.14 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ron h ALA 227 CO -0.16 -1.06 0.20 0.93 0.00 0.00 0.00 179.25 179.16 2ron h GLU 228 N -0.96 0.00 0.03 0.00 4.39 -1.25 -1.83 114.58 114.96 2ron h GLU 228 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2ron h GLU 228 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2ron h GLU 228 CO 0.15 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.98 2ron h ARG 229 N 0.00 -0.04 0.69 2.33 3.08 -0.53 -1.26 114.38 118.65 2ron h ARG 229 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2ron h ARG 229 Cb 0.49 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.56 2ron h ARG 229 CO -0.00 0.32 -0.33 0.82 -1.07 0.00 0.00 179.97 179.71 2ron h ILE 230 N -0.42 0.22 -0.77 2.04 1.08 -0.53 -2.76 117.51 116.38 2ron h ILE 230 Ca -0.00 -0.19 0.15 0.00 -0.39 0.00 0.00 64.86 64.42 2ron h ILE 230 Cb 0.39 0.27 -0.10 0.00 -3.07 0.00 0.00 36.82 34.32 2ron h ILE 230 CO 0.01 0.02 0.31 0.15 -0.69 0.00 0.00 178.15 177.95 2ron h PHE 231 N -1.08 0.53 0.12 1.37 3.04 -1.49 0.28 116.94 119.71 2ron h PHE 231 Ca -0.10 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.90 2ron h PHE 231 Cb 0.74 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.09 2ron h PHE 231 CO -0.01 0.06 -0.53 0.00 -2.02 0.00 0.00 178.31 175.82 2ron h ALA 232 N 1.56 -0.98 0.00 2.41 0.00 -1.14 -0.74 119.26 120.36 2ron h ALA 232 Ca 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2ron h ALA 232 Cb 0.65 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2ron h ALA 232 CO -0.41 -1.12 -0.22 0.97 0.00 0.00 0.00 179.25 178.47 2ron h ILE 233 N -0.75 0.81 -0.55 0.00 6.09 -1.12 0.28 117.51 122.27 2ron h ILE 233 Ca -0.00 -0.88 -0.04 0.00 -1.37 0.00 0.00 64.86 62.57 2ron h ILE 233 Cb 0.76 1.53 -0.03 0.00 0.47 0.00 0.00 36.82 39.55 2ron h ILE 233 CO -0.29 0.22 0.16 0.25 -3.07 0.00 0.00 178.15 175.42 2ron h LEU 234 N 0.00 0.75 0.00 2.19 7.12 0.75 0.40 115.31 126.53 2ron h LEU 234 Ca -0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2ron h LEU 234 Cb 0.51 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2ron h LEU 234 CO 0.03 0.72 -1.86 -3.20 -0.13 0.00 0.00 178.44 174.00 2ron n ASN 235 N -4.30 0.13 -1.17 1.25 4.05 -0.40 -4.17 115.26 110.65 2ron n ASN 235 Ca 0.04 -0.11 0.12 0.00 0.45 0.00 0.00 54.58 55.08 2ron n ASN 235 Cb 0.20 1.85 0.25 0.00 1.23 0.00 0.00 39.78 43.31 2ron n ASN 235 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2ron n GLN 236 N -2.18 2.51 0.33 1.20 7.27 0.96 -4.37 117.38 123.11 2ron n GLN 236 Ca -0.03 -2.31 -0.15 0.00 0.07 0.00 0.00 57.00 54.58 2ron n GLN 236 Cb 0.54 -1.52 -0.08 0.00 2.41 0.00 0.00 30.24 31.60 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2ron h HIS 237 N 4.26 -0.81 0.04 3.69 2.76 -0.35 -3.35 115.15 121.39 2ron h HIS 237 Ca 0.00 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2ron h HIS 237 Cb 0.95 0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.18 2ron h HIS 237 CO 0.31 -0.47 -0.02 -1.00 -1.30 0.00 0.00 177.93 175.45 2ron h PRO 238 N -1.13 -0.06 -3.41 5.26 0.13 -1.84 -3.47 132.00 127.48 2ron h PRO 238 Ca -0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.91 2ron h PRO 238 Cb 0.70 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 31.65 2ron h PRO 238 CO 0.15 0.41 -0.43 0.96 -0.23 0.00 0.00 178.00 178.86 2ron s ILE 239 N -4.22 0.08 0.25 -3.56 -0.00 -1.26 -5.16 121.20 107.33 2ron s ILE 239 Ca -0.15 -0.68 -0.14 0.00 -0.00 0.00 0.00 60.65 59.68 2ron s ILE 239 Cb 0.02 -0.55 -0.08 0.00 -0.00 0.00 0.00 42.46 41.85 2ron s ILE 239 CO 0.64 -0.37 0.64 -0.63 -0.00 0.00 0.00 174.94 175.22 2ron s ILE 240 N -1.56 4.78 0.22 8.37 1.09 -1.26 -4.10 121.20 128.74 2ron s ILE 240 Ca -0.13 0.82 0.09 0.00 -1.10 0.00 0.00 60.65 60.33 2ron s ILE 240 Cb -0.06 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 2ron s ILE 240 CO 0.01 -0.01 -0.03 0.00 -0.10 0.00 0.00 174.94 174.81 2ron s GLN 241 N -2.60 2.26 0.00 2.79 -2.07 -1.26 -5.09 119.66 113.69 2ron s GLN 241 Ca 0.47 -1.31 0.16 0.00 -1.82 0.00 0.00 55.36 52.86 2ron s GLN 241 Cb -0.12 -2.21 0.94 0.00 -1.09 0.00 0.00 33.01 30.53 2ron s GLN 241 CO 0.19 0.40 1.35 -0.35 -1.32 0.00 0.00 175.29 175.57