#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 -0.86 0.48 7.83 0.01 0.86 -4.48 113.70 117.54 2ron s SER 2 Ca 0.00 1.10 -0.05 0.00 1.31 0.00 0.00 55.95 58.31 2ron s SER 2 Cb 0.00 1.95 -0.04 0.00 0.21 0.00 0.00 66.02 68.14 2ron s SER 2 CO 0.00 -0.16 0.79 -1.58 0.41 0.00 0.00 173.24 172.69 2ron s GLN 3 N 2.68 3.54 -0.14 12.44 2.00 -1.16 -3.95 119.66 135.07 2ron s GLN 3 Ca -0.02 0.21 -0.09 0.00 -2.00 0.00 0.00 55.36 53.45 2ron s GLN 3 Cb -0.09 -2.37 0.05 0.00 0.80 0.00 0.00 33.01 31.40 2ron s GLN 3 CO -0.18 -0.21 0.35 -0.48 -0.50 0.00 0.00 175.29 174.27 2ron s LEU 4 N -4.75 0.23 -0.00 3.68 2.34 -1.26 -0.21 118.68 118.70 2ron s LEU 4 Ca 0.47 0.74 -0.20 0.00 0.06 0.00 0.00 54.13 55.21 2ron s LEU 4 Cb -0.10 1.14 -0.05 0.00 -0.56 0.00 0.00 46.19 46.61 2ron s LEU 4 CO 0.45 -0.17 0.59 0.12 -1.06 0.00 0.00 176.35 176.28 2ron s PHE 5 N 1.08 3.69 -0.12 3.48 5.36 -0.82 -4.91 117.98 125.75 2ron s PHE 5 Ca -0.07 1.19 -0.05 0.00 -0.96 0.00 0.00 56.93 57.04 2ron s PHE 5 Cb -0.08 -2.59 0.06 0.00 -0.34 0.00 0.00 43.02 40.07 2ron s PHE 5 CO -0.08 0.37 0.25 -1.59 -1.46 0.00 0.00 175.22 172.71 2ron s LYS 6 N -0.27 0.17 -0.27 10.12 0.00 -1.26 -1.60 119.74 126.63 2ron s LYS 6 Ca 0.31 0.64 -0.04 0.00 0.00 0.00 0.00 55.97 56.88 2ron s LYS 6 Cb -0.18 -0.09 0.10 0.00 0.00 0.00 0.00 37.83 37.66 2ron s LYS 6 CO 0.17 -0.23 0.15 0.45 0.00 0.00 0.00 175.35 175.89 2ron s SER 7 N 1.86 3.09 0.09 0.03 0.15 -0.74 -4.99 113.70 113.20 2ron s SER 7 Ca -0.04 -1.10 0.02 0.00 0.70 0.00 0.00 55.95 55.54 2ron s SER 7 Cb -0.11 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 2ron s SER 7 CO -0.08 -0.42 0.14 0.72 1.20 0.00 0.00 173.24 174.80 2ron s PHE 8 N 2.14 3.30 -0.09 3.44 -0.71 -1.26 -1.28 117.98 123.53 2ron s PHE 8 Ca 0.08 0.12 -0.03 0.00 -1.04 0.00 0.00 56.93 56.05 2ron s PHE 8 Cb -0.16 -1.65 0.05 0.00 -1.21 0.00 0.00 43.02 40.05 2ron s PHE 8 CO -0.32 0.54 0.13 -0.51 -1.34 0.00 0.00 175.22 173.73 2ron s ASP 9 N -2.60 1.00 -1.64 1.98 1.01 -1.26 -4.82 116.67 110.34 2ron s ASP 9 Ca 0.32 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.74 2ron s ASP 9 Cb -0.12 0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.96 2ron s ASP 9 CO 0.24 -0.26 0.00 0.00 0.21 0.00 0.00 175.17 175.37 2ron n ALA 10 N 5.32 -0.23 -4.01 5.23 0.00 -1.26 -3.31 120.51 122.24 2ron n ALA 10 Ca -0.04 0.25 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 2ron n ALA 10 Cb 0.50 -1.69 0.02 0.00 0.00 0.00 0.00 19.45 18.28 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.65 -4.35 0.00 0.00 3.41 -1.26 -4.92 113.62 105.85 2ron n SER 11 Ca -0.15 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 2ron n SER 11 Cb 0.53 -1.94 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 2ron n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ron n GLU 12 N -4.91 0.00 -3.80 4.33 4.07 -1.21 -4.88 120.64 114.24 2ron n GLU 12 Ca -0.11 0.48 -0.13 0.00 -0.06 0.00 0.00 57.16 57.34 2ron n GLU 12 Cb 0.57 -0.98 -0.12 0.00 -0.06 0.00 0.00 31.44 30.85 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ron s LYS 13 N -0.98 0.29 -0.63 5.31 1.02 -1.26 -4.73 119.74 118.75 2ron s LYS 13 Ca 0.00 0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.09 2ron s LYS 13 Cb 0.00 0.14 0.16 0.00 -0.52 0.00 0.00 37.83 37.61 2ron s LYS 13 CO 0.00 -0.04 0.56 0.99 -0.92 0.00 0.00 175.35 175.94 2ron s THR 14 N -0.07 5.03 -0.48 2.17 2.01 -1.23 0.02 115.64 123.08 2ron s THR 14 Ca -0.02 -2.02 -0.13 0.00 0.31 0.00 0.00 61.69 59.83 2ron s THR 14 Cb -0.02 -4.20 0.10 0.00 0.01 0.00 0.00 72.50 68.39 2ron s THR 14 CO 0.01 -0.91 0.38 0.00 -0.69 0.00 0.00 174.62 173.41 2ron s GLN 15 N 0.91 2.79 -0.07 4.92 -2.07 -1.19 -2.39 119.66 122.55 2ron s GLN 15 Ca 0.10 -1.56 -0.20 0.00 -1.82 0.00 0.00 55.36 51.88 2ron s GLN 15 Cb -0.21 -4.05 -0.04 0.00 -1.09 0.00 0.00 33.01 27.61 2ron s GLN 15 CO -0.02 -1.13 0.56 -1.17 -1.32 0.00 0.00 175.29 172.21 2ron s LEU 16 N 1.52 4.33 0.29 2.60 0.20 0.11 -2.62 118.68 125.11 2ron s LEU 16 Ca 0.04 1.01 0.00 0.00 0.69 0.00 0.00 54.13 55.87 2ron s LEU 16 Cb -0.26 -2.85 -0.02 0.00 -0.43 0.00 0.00 46.19 42.63 2ron s LEU 16 CO 0.03 0.00 0.31 0.27 -0.29 0.00 0.00 176.35 176.67 2ron s ILE 17 N 0.42 0.00 -0.38 6.68 -4.36 0.12 0.06 121.20 123.74 2ron s ILE 17 Ca 0.30 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.89 2ron s ILE 17 Cb -0.17 -2.51 0.18 0.00 1.25 0.00 0.00 42.46 41.22 2ron s ILE 17 CO 0.14 0.00 0.75 0.00 0.24 0.00 0.00 174.94 176.07 2ron n PHE 19 N 4.32 -2.09 -2.05 0.00 3.72 -1.26 -4.82 117.46 115.28 2ron n PHE 19 Ca 0.09 0.75 -0.28 0.00 -0.05 0.00 0.00 57.45 57.96 2ron n PHE 19 Cb 0.58 -4.02 -0.05 0.00 -0.94 0.00 0.00 39.48 35.06 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 -4.35 2.56 0.65 -1.08 0.04 -1.26 -4.95 135.00 126.62 2ron s PRO 20 Ca 0.33 -0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.04 2ron s PRO 20 Cb -0.04 -4.97 -0.06 0.00 0.04 0.00 0.00 34.50 29.47 2ron s PRO 20 CO 0.64 -3.29 0.57 1.97 0.04 0.00 0.00 177.00 176.92 2ron n PHE 21 N 13.82 -0.60 0.06 0.56 -1.74 -1.26 -4.95 117.46 123.34 2ron n PHE 21 Ca 0.37 0.39 -0.02 0.00 -0.56 0.00 0.00 57.45 57.63 2ron n PHE 21 Cb 0.48 -1.95 -0.01 0.00 1.52 0.00 0.00 39.48 39.51 2ron n PHE 21 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ron h ALA 22 N -0.05 -0.65 -0.52 1.98 0.00 -1.97 -3.41 119.26 114.64 2ron h ALA 22 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ron h ALA 22 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2ron h ALA 22 CO 0.45 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2ron n GLY 23 N 0.08 2.18 0.61 0.00 0.00 -1.26 -2.38 105.19 104.42 2ron n GLY 23 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.30 -0.02 0.00 -1.26 -4.65 105.19 99.55 2ron n GLY 24 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.16 -0.00 1.61 -0.00 -1.82 -0.80 116.97 116.13 2ron h TYR 25 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.55 2ron h TYR 25 Cb 0.50 -0.05 -0.02 0.00 -0.00 0.00 0.00 36.73 37.16 2ron h TYR 25 CO 0.00 0.10 -0.82 1.03 -0.00 0.00 0.00 178.16 178.46 2ron h SER 26 N 0.17 0.14 0.32 0.10 0.87 -1.70 -2.14 113.55 111.32 2ron h SER 26 Ca 0.09 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.36 2ron h SER 26 Cb 0.17 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2ron h SER 26 CO -0.02 0.90 -0.72 0.00 -0.53 0.00 0.00 176.83 176.46 2ron h ALA 27 N 1.09 0.64 0.00 6.23 0.00 -1.30 -2.18 119.26 123.73 2ron h ALA 27 Ca -0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.10 2ron h ALA 27 Cb 1.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2ron h ALA 27 CO 0.12 0.78 -0.85 0.77 0.00 0.00 0.00 179.25 180.07 2ron h SER 28 N 0.23 0.00 1.79 0.00 0.02 -1.28 -3.20 113.55 111.11 2ron h SER 28 Ca -0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2ron h SER 28 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2ron h SER 28 CO 0.12 0.85 -0.19 0.15 -1.14 0.00 0.00 176.83 176.62 2ron h PHE 29 N 0.00 0.00 0.35 3.45 3.04 -1.35 -3.22 116.94 119.21 2ron h PHE 29 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2ron h PHE 29 Cb 1.60 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.09 2ron h PHE 29 CO 0.00 0.19 -0.44 -0.09 -2.02 0.00 0.00 178.31 175.95 2ron h ARG 30 N 0.00 -0.80 0.00 1.11 9.65 -1.38 0.28 114.38 123.23 2ron h ARG 30 Ca -0.00 0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.86 2ron h ARG 30 Cb 1.13 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.89 2ron h ARG 30 CO 0.02 -0.54 -0.34 -1.00 2.80 0.00 0.00 179.97 180.91 2ron h PRO 31 N -0.83 0.00 -0.04 0.20 0.13 -1.72 0.20 132.00 129.93 2ron h PRO 31 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2ron h PRO 31 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2ron h PRO 31 CO -0.12 0.34 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.84 2ron h LEU 32 N 0.00 0.15 -0.17 1.56 -0.00 -1.46 -2.07 115.31 113.32 2ron h LEU 32 Ca -0.00 -0.56 -0.03 0.00 -0.00 0.00 0.00 57.88 57.28 2ron h LEU 32 Cb 0.75 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2ron h LEU 32 CO 0.04 0.69 -0.16 -0.74 -0.00 0.00 0.00 178.44 178.27 2ron h HIS 33 N -0.38 0.00 -0.03 1.13 2.76 -0.43 -2.82 115.15 115.38 2ron h HIS 33 Ca 0.00 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 2ron h HIS 33 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2ron h HIS 33 CO 0.12 0.16 -0.87 0.00 -1.30 0.00 0.00 177.93 176.03 2ron h ALA 34 N 1.84 0.43 0.00 5.26 0.00 -0.96 0.39 119.26 126.22 2ron h ALA 34 Ca -0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 2ron h ALA 34 Cb 1.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2ron h ALA 34 CO 0.02 0.80 -0.69 0.35 0.00 0.00 0.00 179.25 179.73 2ron h PHE 35 N 0.25 0.00 -0.10 0.00 3.57 -1.39 -3.29 116.94 115.98 2ron h PHE 35 Ca -0.06 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 2ron h PHE 35 Cb 1.49 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 2ron h PHE 35 CO 0.06 0.61 -0.18 -0.11 -2.23 0.00 0.00 178.31 176.46 2ron n LEU 36 N -3.22 3.01 -4.66 0.59 7.94 -1.07 -5.05 117.00 114.54 2ron n LEU 36 Ca 0.00 -3.48 -0.44 0.00 -1.11 0.00 0.00 56.01 50.98 2ron n LEU 36 Cb 0.79 -0.52 -0.02 0.00 0.53 0.00 0.00 43.42 44.20 2ron n LEU 36 CO 0.42 1.04 0.88 1.67 -1.11 0.00 0.00 177.39 180.29 2ron n GLN 37 N -1.15 1.88 -0.15 1.96 7.27 0.14 -4.90 117.38 122.42 2ron n GLN 37 Ca 0.21 0.66 0.02 0.00 0.07 0.00 0.00 57.00 57.96 2ron n GLN 37 Cb 0.77 -2.24 0.02 0.00 2.41 0.00 0.00 30.24 31.20 2ron n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ron n GLY 38 N 1.59 0.51 3.98 1.69 0.00 -1.26 -5.00 105.19 106.70 2ron n GLY 38 Ca 0.10 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2ron n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ron n GLU 39 N -0.34 -4.43 -0.65 1.61 -0.58 -1.26 -4.93 120.64 110.05 2ron n GLU 39 Ca 0.03 0.50 -0.30 0.00 -0.42 0.00 0.00 57.16 56.97 2ron n GLU 39 Cb 0.53 -5.32 0.26 0.00 -0.57 0.00 0.00 31.44 26.34 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ron s GLU 41 N -5.04 4.18 -0.43 0.00 2.12 0.10 -4.78 118.70 114.85 2ron s GLU 41 Ca 0.69 2.36 -0.20 0.00 0.36 0.00 0.00 54.97 58.18 2ron s GLU 41 Cb -0.15 -3.81 0.02 0.00 0.26 0.00 0.00 34.13 30.46 2ron s GLU 41 CO 0.59 -0.81 0.58 -1.64 -0.54 0.00 0.00 175.26 173.43 2ron s MET 42 N 3.35 3.23 -0.21 4.30 -1.94 -0.40 -3.16 119.30 124.47 2ron s MET 42 Ca 0.77 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 54.28 2ron s MET 42 Cb -0.39 -3.95 0.04 0.00 2.01 0.00 0.00 34.83 32.54 2ron s MET 42 CO 0.33 -0.96 -0.12 -1.17 -0.01 0.00 0.00 175.02 173.09 2ron s LEU 43 N 2.61 2.54 -0.05 -0.03 2.96 -1.08 -1.79 118.68 123.85 2ron s LEU 43 Ca 0.19 -0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2ron s LEU 43 Cb -0.15 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 45.21 2ron s LEU 43 CO 0.17 -0.13 0.00 0.00 -1.32 0.00 0.00 176.35 175.08 2ron s ALA 44 N 1.30 0.50 0.92 5.97 0.00 -0.63 0.12 121.76 129.94 2ron s ALA 44 Ca -0.02 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 2ron s ALA 44 Cb -0.17 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.44 2ron s ALA 44 CO -0.08 -0.27 0.37 0.00 0.00 0.00 0.00 175.76 175.78 2ron n ALA 45 N 4.67 -2.56 -2.34 0.00 0.00 0.25 -1.94 120.51 118.59 2ron n ALA 45 Ca -0.16 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.64 2ron n ALA 45 Cb 0.50 -1.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.09 2ron n ALA 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ron s GLU 46 N -3.43 0.80 0.89 0.00 0.41 0.70 -4.69 118.70 113.38 2ron s GLU 46 Ca 0.57 -1.14 -0.11 0.00 -0.41 0.00 0.00 54.97 53.88 2ron s GLU 46 Cb -0.23 0.28 0.13 0.00 -1.78 0.00 0.00 34.13 32.53 2ron s GLU 46 CO 0.67 -0.22 1.09 -1.25 -0.49 0.00 0.00 175.26 175.06 2ron s PRO 47 N -3.92 1.31 1.06 0.39 0.04 -1.26 -3.09 135.00 129.52 2ron s PRO 47 Ca 0.09 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.82 2ron s PRO 47 Cb 0.06 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 33.01 2ron s PRO 47 CO -0.08 -2.21 1.10 -1.25 0.04 0.00 0.00 177.00 174.60 2ron s PRO 48 N -4.94 -0.07 0.00 0.56 0.04 -1.26 -3.30 135.00 126.04 2ron s PRO 48 Ca 0.63 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2ron s PRO 48 Cb -0.18 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2ron s PRO 48 CO 0.57 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2ron n GLY 49 N -1.04 1.77 3.22 0.56 0.00 -1.26 -4.90 105.19 103.54 2ron n GLY 49 Ca 0.07 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -3.22 0.32 1.61 -0.00 -1.26 -4.66 115.22 108.02 2ron n HIS 50 Ca 0.00 -0.59 0.20 0.00 0.46 0.00 0.00 57.72 57.79 2ron n HIS 50 Cb 0.00 -1.40 1.09 0.00 -0.12 0.00 0.00 29.99 29.56 2ron n HIS 50 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2ron h GLY 51 N -3.37 0.00 0.73 1.57 0.00 -2.02 0.16 103.07 100.14 2ron h GLY 51 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2ron h GLY 51 CO 0.27 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.44 2ron n THR 52 N -2.96 0.00 -0.35 4.70 5.66 -1.26 -3.38 114.28 116.69 2ron n THR 52 Ca -0.03 -0.04 0.04 0.00 -3.05 0.00 0.00 64.05 60.97 2ron n THR 52 Cb 0.12 -0.32 0.28 0.00 -1.55 0.00 0.00 70.33 68.86 2ron n THR 52 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ron n ASN 53 N -0.79 4.34 -4.27 1.09 3.02 0.55 -4.96 115.26 114.24 2ron n ASN 53 Ca 0.23 -2.67 -0.33 0.00 -0.03 0.00 0.00 54.58 51.78 2ron n ASN 53 Cb 0.15 -0.64 0.17 0.00 -0.61 0.00 0.00 39.78 38.85 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ron n GLN 54 N 0.41 -1.49 -2.36 3.52 10.64 -1.22 -0.10 117.38 126.79 2ron n GLN 54 Ca 0.20 -0.42 -0.41 0.00 -1.83 0.00 0.00 57.00 54.54 2ron n GLN 54 Cb 0.94 -1.67 -0.03 0.00 -0.86 0.00 0.00 30.24 28.61 2ron n GLN 54 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2ron s THR 55 N -2.23 3.61 -0.13 -0.39 -1.32 -1.26 -3.68 115.64 110.25 2ron s THR 55 Ca 0.55 1.30 0.18 0.00 -1.21 0.00 0.00 61.69 62.51 2ron s THR 55 Cb -0.11 -3.83 -0.20 0.00 -1.51 0.00 0.00 72.50 66.85 2ron s THR 55 CO 0.66 0.18 0.57 -0.24 -2.21 0.00 0.00 174.62 173.58 2ron n SER 56 N 2.86 0.48 -3.61 8.08 2.88 -1.25 -4.96 113.62 118.09 2ron n SER 56 Ca 0.06 0.21 -0.24 0.00 -1.33 0.00 0.00 58.87 57.57 2ron n SER 56 Cb 0.45 0.72 0.08 0.00 -0.75 0.00 0.00 64.21 64.70 2ron n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ron n ALA 57 N -2.46 -1.34 -3.66 -1.46 0.00 -1.26 -2.82 120.51 107.51 2ron n ALA 57 Ca -0.15 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 2ron n ALA 57 Cb 0.87 -5.35 0.04 0.00 0.00 0.00 0.00 19.45 15.01 2ron n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ron n ILE 58 N -4.96 -5.88 -1.49 0.00 2.08 -1.26 -4.91 119.36 102.94 2ron n ILE 58 Ca -0.00 -0.93 0.07 0.00 0.56 0.00 0.00 62.75 62.45 2ron n ILE 58 Cb 0.56 -4.40 0.14 0.00 -0.75 0.00 0.00 39.64 35.19 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -4.10 1.14 0.01 0.38 1.02 -1.13 -4.75 120.64 113.21 2ron n GLU 59 Ca -0.13 -2.62 -0.03 0.00 -0.02 0.00 0.00 57.16 54.36 2ron n GLU 59 Cb 0.61 -1.30 0.21 0.00 -0.02 0.00 0.00 31.44 30.94 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ron h ASP 60 N 0.45 0.49 0.00 1.62 2.03 -1.91 -2.14 116.42 116.96 2ron h ASP 60 Ca -0.02 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 2ron h ASP 60 Cb 1.12 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 2ron h ASP 60 CO 0.01 0.72 0.00 0.18 -1.03 0.00 0.00 179.24 179.11 2ron n LEU 61 N -4.14 0.00 -0.26 0.15 7.99 -1.26 -0.05 117.00 119.43 2ron n LEU 61 Ca -0.00 0.71 0.05 0.00 -0.01 0.00 0.00 56.01 56.76 2ron n LEU 61 Cb 0.39 -0.21 0.19 0.00 -0.11 0.00 0.00 43.42 43.68 2ron n LEU 61 CO 0.42 -0.21 1.03 -0.33 -1.51 0.00 0.00 177.39 176.79 2ron h GLU 62 N 0.00 0.46 0.07 3.23 4.39 -1.94 0.23 114.58 121.02 2ron h GLU 62 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2ron h GLU 62 Cb 0.00 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2ron h GLU 62 CO 0.00 0.31 -0.09 1.49 -1.16 0.00 0.00 179.01 179.55 2ron h GLU 63 N 0.48 -0.16 -0.94 2.33 4.81 -1.32 -2.01 114.58 117.77 2ron h GLU 63 Ca 0.42 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.77 2ron h GLU 63 Cb 0.62 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.95 2ron h GLU 63 CO -0.39 -0.11 0.58 -0.07 -0.73 0.00 0.00 179.01 178.29 2ron h LEU 64 N -0.17 0.84 0.00 1.64 3.38 -0.23 0.36 115.31 121.12 2ron h LEU 64 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ron h LEU 64 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ron h LEU 64 CO -0.03 0.45 0.00 0.41 0.09 0.00 0.00 178.44 179.37 2ron n THR 65 N -4.67 0.00 0.01 0.22 -1.04 0.80 -0.83 114.28 108.78 2ron n THR 65 Ca 0.17 1.24 0.09 0.00 -2.04 0.00 0.00 64.05 63.52 2ron n THR 65 Cb 0.33 -1.94 0.52 0.00 -1.82 0.00 0.00 70.33 67.42 2ron n THR 65 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2ron h ASP 66 N 0.00 0.31 0.18 8.00 1.82 -1.32 0.37 116.42 125.77 2ron h ASP 66 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2ron h ASP 66 Cb 0.00 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2ron h ASP 66 CO 0.00 0.20 0.00 -0.07 -1.61 0.00 0.00 179.24 177.76 2ron h LEU 67 N 0.35 0.00 0.00 2.28 3.38 -0.29 0.38 115.31 121.41 2ron h LEU 67 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2ron h LEU 67 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2ron h LEU 67 CO -0.04 0.00 -1.57 -1.22 0.09 0.00 0.00 178.44 175.69 2ron n TYR 68 N -2.61 0.00 -0.40 1.13 4.02 0.22 -4.62 117.16 114.91 2ron n TYR 68 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.82 2ron n TYR 68 Cb 0.09 -0.38 0.20 0.00 -0.02 0.00 0.00 39.34 39.23 2ron n TYR 68 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2ron n LYS 69 N -3.14 2.73 -0.25 -0.72 -0.00 0.10 -4.49 118.16 112.39 2ron n LYS 69 Ca -0.19 -2.08 0.32 0.00 -0.00 0.00 0.00 58.31 56.36 2ron n LYS 69 Cb 0.66 -1.91 0.74 0.00 -0.00 0.00 0.00 35.03 34.53 2ron n LYS 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2ron h GLN 70 N 1.67 0.00 0.00 -1.58 3.07 -0.43 -2.76 115.11 115.07 2ron h GLN 70 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2ron h GLN 70 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.46 2ron h GLN 70 CO 0.55 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.86 2ron n GLU 71 N -4.18 0.00 -4.23 0.06 -0.58 -1.26 -4.86 120.64 105.58 2ron n GLU 71 Ca 0.22 0.34 -0.33 0.00 -0.42 0.00 0.00 57.16 56.97 2ron n GLU 71 Cb 1.12 -1.10 -0.08 0.00 -0.57 0.00 0.00 31.44 30.81 2ron n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ron s LEU 72 N -3.04 3.66 0.87 -4.62 1.02 -1.04 -5.10 118.68 110.43 2ron s LEU 72 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 54.13 54.10 2ron s LEU 72 Cb 0.00 -2.06 0.08 0.00 0.02 0.00 0.00 46.19 44.23 2ron s LEU 72 CO 0.00 0.30 0.91 -3.20 0.02 0.00 0.00 176.35 174.37 2ron n ASN 73 N 1.47 -0.23 -3.00 2.29 5.15 -1.26 -4.71 115.26 114.97 2ron n ASN 73 Ca -0.15 0.47 -0.10 0.00 -0.60 0.00 0.00 54.58 54.20 2ron n ASN 73 Cb 0.53 -1.39 0.01 0.00 -0.53 0.00 0.00 39.78 38.40 2ron n ASN 73 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2ron s LEU 74 N -4.19 0.23 0.22 1.20 1.43 -1.26 -5.08 118.68 111.23 2ron s LEU 74 Ca 0.66 -1.22 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2ron s LEU 74 Cb -0.26 2.55 -0.05 0.00 0.03 0.00 0.00 46.19 48.46 2ron s LEU 74 CO 0.58 -1.60 -0.20 -0.13 0.23 0.00 0.00 176.35 175.22 2ron s ARG 75 N -2.48 1.66 0.00 1.70 3.00 -1.26 -5.09 118.95 116.48 2ron s ARG 75 Ca 0.19 -1.57 0.00 0.00 0.00 0.00 0.00 55.73 54.35 2ron s ARG 75 Cb -0.04 -1.87 0.00 0.00 0.00 0.00 0.00 34.95 33.04 2ron s ARG 75 CO 0.13 0.38 0.00 -0.35 0.00 0.00 0.00 175.30 175.46 2ron n PRO 76 N -0.08 -0.38 -3.56 3.54 -0.04 -1.26 -5.03 135.00 128.20 2ron n PRO 76 Ca -0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.01 2ron n PRO 76 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 6.68 -0.03 3.54 1.11 -1.26 -5.03 116.67 120.16 2ron s ASP 77 Ca 0.00 0.83 -0.13 0.00 0.18 0.00 0.00 52.55 53.43 2ron s ASP 77 Cb 0.00 -2.19 -0.07 0.00 1.07 0.00 0.00 42.92 41.72 2ron s ASP 77 CO 0.00 0.21 0.60 0.03 1.18 0.00 0.00 175.17 177.19 2ron h ARG 78 N 3.95 -0.45 -7.28 8.23 3.08 -1.90 -3.45 114.38 116.55 2ron h ARG 78 Ca -0.50 0.03 -0.51 0.00 0.07 0.00 0.00 59.98 59.07 2ron h ARG 78 Cb 1.20 0.10 0.12 0.00 0.08 0.00 0.00 29.97 31.47 2ron h ARG 78 CO 0.65 -0.30 0.34 -1.25 -1.07 0.00 0.00 179.97 178.33 2ron s PRO 79 N -3.11 2.42 -0.29 0.04 0.04 -1.26 -4.50 135.00 128.34 2ron s PRO 79 Ca -0.07 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 2ron s PRO 79 Cb 0.01 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.76 2ron s PRO 79 CO 0.21 -1.52 0.92 0.12 0.04 0.00 0.00 177.00 176.76 2ron s PHE 80 N -2.72 -0.67 -0.05 0.56 5.36 -0.73 -3.57 117.98 116.16 2ron s PHE 80 Ca 0.63 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 2ron s PHE 80 Cb -0.18 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 2ron s PHE 80 CO 0.51 -0.33 -0.03 0.14 -1.46 0.00 0.00 175.22 174.05 2ron s VAL 81 N 1.32 0.51 -0.18 3.12 -7.23 -1.01 -3.81 120.40 113.12 2ron s VAL 81 Ca -0.08 -0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 59.96 2ron s VAL 81 Cb -0.04 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 2ron s VAL 81 CO -0.15 0.24 0.02 -0.22 -0.31 0.00 0.00 175.10 174.68 2ron s LEU 82 N 1.19 3.51 -0.55 1.32 0.20 -1.23 0.10 118.68 123.21 2ron s LEU 82 Ca -0.07 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.70 2ron s LEU 82 Cb -0.14 -1.88 0.14 0.00 -0.43 0.00 0.00 46.19 43.88 2ron s LEU 82 CO -0.01 0.13 0.33 -0.36 -0.29 0.00 0.00 176.35 176.15 2ron s PHE 83 N 0.60 3.35 0.00 5.38 0.40 0.11 -4.19 117.98 123.62 2ron s PHE 83 Ca 0.01 -2.91 0.00 0.00 -0.60 0.00 0.00 56.93 53.43 2ron s PHE 83 Cb -0.14 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.37 2ron s PHE 83 CO 0.02 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.54 2ron n GLY 84 N 3.43 1.82 3.41 4.36 0.00 -1.26 -2.46 105.19 114.49 2ron n GLY 84 Ca 0.06 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 2ron n GLY 84 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ron s HIS 85 N 2.43 1.74 -1.64 1.61 -3.43 -1.26 -4.83 115.29 109.91 2ron s HIS 85 Ca 0.00 -1.42 0.27 0.00 -0.80 0.00 0.00 55.06 53.10 2ron s HIS 85 Cb 0.00 -0.96 1.45 0.00 -1.43 0.00 0.00 32.58 31.64 2ron s HIS 85 CO 0.00 -0.52 1.93 -1.13 -2.00 0.00 0.00 174.74 173.02 2ron n SER 86 N -1.32 0.00 0.05 7.38 3.41 -1.26 -3.94 113.62 117.94 2ron n SER 86 Ca -0.01 -0.38 -0.02 0.00 -0.26 0.00 0.00 58.87 58.21 2ron n SER 86 Cb 0.64 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2ron n SER 86 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2ron h MET 87 N 0.00 -0.13 0.00 4.33 2.86 -2.00 -3.51 114.93 116.48 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 0.16 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2ron h MET 87 CO 0.00 -0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.29 2ron n GLY 88 N 0.03 -1.10 0.00 8.32 0.00 -1.25 -5.11 105.19 106.08 2ron n GLY 88 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2ron n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 89 N 0.00 -0.15 0.19 -0.02 0.00 -1.26 -4.68 105.19 99.27 2ron n GLY 89 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 0.61 -0.15 1.61 -0.00 -1.98 -2.45 114.93 112.58 2ron h MET 90 Ca 0.00 -0.33 -0.15 0.00 -0.00 0.00 0.00 59.70 59.22 2ron h MET 90 Cb 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2ron h MET 90 CO 0.00 0.93 -0.55 -0.84 -0.00 0.00 0.00 176.91 176.46 2ron h ILE 91 N 0.32 1.34 0.76 -0.10 3.07 -1.97 -1.12 117.51 119.81 2ron h ILE 91 Ca 0.04 -1.81 -0.04 0.00 1.55 0.00 0.00 64.86 64.59 2ron h ILE 91 Cb 0.83 1.82 0.01 0.00 -0.27 0.00 0.00 36.82 39.21 2ron h ILE 91 CO 0.06 0.55 -0.36 0.74 -1.05 0.00 0.00 178.15 178.09 2ron h THR 92 N 0.33 0.15 -0.56 0.16 2.02 -1.95 -2.55 112.91 110.51 2ron h THR 92 Ca 0.01 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2ron h THR 92 Cb 1.06 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2ron h THR 92 CO 0.10 0.01 0.20 0.15 0.37 0.00 0.00 175.52 176.35 2ron h PHE 93 N -1.16 0.88 -0.57 3.16 3.04 -1.51 -1.94 116.94 118.84 2ron h PHE 93 Ca -0.10 -0.08 0.11 0.00 3.98 0.00 0.00 57.97 61.88 2ron h PHE 93 Cb 0.80 -0.26 -0.11 0.00 2.56 0.00 0.00 35.95 38.94 2ron h PHE 93 CO -0.00 0.73 -0.21 -0.09 -2.02 0.00 0.00 178.31 176.72 2ron h ARG 94 N 0.78 -0.07 -0.13 1.11 2.43 -1.20 0.38 114.38 117.68 2ron h ARG 94 Ca 0.19 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2ron h ARG 94 Cb 0.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2ron h ARG 94 CO -0.01 -0.04 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.86 2ron h LEU 95 N -0.07 0.35 0.08 3.80 4.07 -1.32 -2.15 115.31 120.07 2ron h LEU 95 Ca 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 2ron h LEU 95 Cb 0.48 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2ron h LEU 95 CO -0.62 0.77 -0.04 0.00 -1.08 0.00 0.00 178.44 177.47 2ron h ALA 96 N 1.24 -0.74 -0.21 1.53 0.00 -0.02 -1.06 119.26 120.00 2ron h ALA 96 Ca 0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2ron h ALA 96 Cb 0.93 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2ron h ALA 96 CO 0.08 -0.74 -0.30 0.37 0.00 0.00 0.00 179.25 178.66 2ron h GLN 97 N -0.14 -0.32 -0.64 0.00 5.75 -0.49 -0.80 115.11 118.47 2ron h GLN 97 Ca -0.01 0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.64 2ron h GLN 97 Cb 0.08 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.61 2ron h GLN 97 CO 0.02 -0.21 0.12 -0.22 -2.65 0.00 0.00 178.83 175.89 2ron h LYS 98 N -0.33 0.23 -0.46 1.69 3.64 -1.50 0.19 116.57 120.04 2ron h LYS 98 Ca 0.12 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2ron h LYS 98 Cb 0.52 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2ron h LYS 98 CO -0.40 0.15 0.29 1.25 -2.27 0.00 0.00 179.45 178.47 2ron h LEU 99 N 0.24 0.54 0.34 5.20 5.85 -0.13 0.29 115.31 127.64 2ron h LEU 99 Ca 0.34 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2ron h LEU 99 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ron h LEU 99 CO -0.45 0.41 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.82 2ron h GLU 100 N 0.63 -0.44 -0.56 1.25 4.81 0.63 -0.95 114.58 119.96 2ron h GLU 100 Ca 0.17 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2ron h GLU 100 Cb -0.04 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 2ron h GLU 100 CO -0.03 -0.18 0.33 0.07 -0.73 0.00 0.00 179.01 178.46 2ron h ARG 101 N -1.05 0.63 -0.19 1.92 0.11 -0.80 0.27 114.38 115.27 2ron h ARG 101 Ca -0.05 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.93 2ron h ARG 101 Cb 0.46 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 2ron h ARG 101 CO 0.08 0.42 -0.17 1.05 0.10 0.00 0.00 179.97 181.44 2ron h GLU 102 N 0.65 0.33 0.05 0.08 4.11 -0.52 -3.22 114.58 116.05 2ron h GLU 102 Ca 0.23 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2ron h GLU 102 Cb 0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ron h GLU 102 CO -0.11 0.50 -0.02 0.78 0.07 0.00 0.00 179.01 180.22 2ron h GLY 103 N 0.89 -0.07 -5.87 1.06 0.00 -0.29 -3.47 103.07 95.32 2ron h GLY 103 Ca 0.06 0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 2ron h GLY 103 CO 0.03 -0.03 -0.39 -0.42 0.00 0.00 0.00 176.54 175.73 2ron s ILE 104 N -2.80 -0.11 -0.02 2.60 -1.09 0.86 -4.98 121.20 115.67 2ron s ILE 104 Ca -0.14 0.13 -0.14 0.00 -2.23 0.00 0.00 60.65 58.27 2ron s ILE 104 Cb -0.01 -0.52 -0.08 0.00 -1.58 0.00 0.00 42.46 40.28 2ron s ILE 104 CO 0.53 0.06 0.66 -0.26 -1.23 0.00 0.00 174.94 174.70 2ron h PHE 105 N 7.32 -0.46 -1.16 3.97 0.04 -1.79 -3.37 116.94 121.48 2ron h PHE 105 Ca -0.35 -0.01 -0.37 0.00 2.80 0.00 0.00 57.97 60.04 2ron h PHE 105 Cb 1.16 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 39.42 2ron h PHE 105 CO 0.30 -0.29 0.95 -1.25 -0.60 0.00 0.00 178.31 177.43 2ron s PRO 106 N -3.24 2.58 0.18 1.51 0.04 -1.26 -4.96 135.00 129.85 2ron s PRO 106 Ca -0.07 0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.03 2ron s PRO 106 Cb 0.01 -4.82 -0.03 0.00 0.04 0.00 0.00 34.50 29.69 2ron s PRO 106 CO 0.22 -3.15 0.27 -0.65 0.04 0.00 0.00 177.00 173.73 2ron s GLN 107 N 7.02 3.31 0.00 4.56 1.11 -1.26 -4.86 119.66 129.53 2ron s GLN 107 Ca 0.69 -0.72 0.00 0.00 0.01 0.00 0.00 55.36 55.34 2ron s GLN 107 Cb -0.09 -2.86 0.00 0.00 -1.01 0.00 0.00 33.01 29.05 2ron s GLN 107 CO 0.07 0.48 0.00 0.00 0.01 0.00 0.00 175.29 175.85 2ron n ALA 108 N -0.79 0.00 -2.84 6.09 0.00 -1.26 -4.96 120.51 116.76 2ron n ALA 108 Ca -0.08 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 2ron n ALA 108 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.65 5.27 -0.14 0.00 -7.23 -1.26 -3.76 120.40 112.63 2ron s VAL 109 Ca 0.00 0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 60.21 2ron s VAL 109 Cb 0.00 -3.29 0.05 0.00 0.56 0.00 0.00 36.38 33.70 2ron s VAL 109 CO 0.00 0.61 0.34 -0.63 -0.31 0.00 0.00 175.10 175.11 2ron s ILE 110 N -0.92 -0.03 -0.05 -0.62 1.01 -0.62 -1.77 121.20 118.22 2ron s ILE 110 Ca 0.14 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.92 2ron s ILE 110 Cb -0.12 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 41.84 2ron s ILE 110 CO 0.03 0.04 -0.17 -0.51 0.00 0.00 0.00 174.94 174.33 2ron s ILE 111 N 1.12 1.42 -0.23 2.92 -1.16 -1.25 -3.19 121.20 120.83 2ron s ILE 111 Ca -0.08 -0.70 -0.04 0.00 -0.51 0.00 0.00 60.65 59.32 2ron s ILE 111 Cb -0.08 -1.23 -0.01 0.00 0.61 0.00 0.00 42.46 41.75 2ron s ILE 111 CO -0.09 0.41 -0.02 -0.94 -2.81 0.00 0.00 174.94 171.50 2ron s SER 112 N 0.15 4.49 0.51 4.50 1.04 -1.10 -3.58 113.70 119.70 2ron s SER 112 Ca -0.06 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 55.97 2ron s SER 112 Cb -0.12 -1.77 -0.00 0.00 0.10 0.00 0.00 66.02 64.22 2ron s SER 112 CO 0.03 -0.05 0.14 0.00 0.98 0.00 0.00 173.24 174.34 2ron s ALA 113 N 1.49 4.12 -1.17 5.32 0.00 -1.26 -1.57 121.76 128.69 2ron s ALA 113 Ca 0.05 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 2ron s ALA 113 Cb -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2ron s ALA 113 CO -0.02 -0.16 0.77 -0.89 0.00 0.00 0.00 175.76 175.45 2ron n ILE 114 N -1.40 -5.86 -3.01 0.00 5.41 -1.26 -4.71 119.36 108.54 2ron n ILE 114 Ca -0.12 -0.92 -0.43 0.00 1.00 0.00 0.00 62.75 62.28 2ron n ILE 114 Cb 0.66 -4.40 -0.06 0.00 -0.71 0.00 0.00 39.64 35.14 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -5.84 3.39 1.03 0.38 -0.21 -1.25 -4.51 119.66 112.65 2ron s GLN 115 Ca 0.38 -0.16 -0.13 0.00 0.02 0.00 0.00 55.36 55.47 2ron s GLN 115 Cb -0.12 -3.93 0.21 0.00 1.00 0.00 0.00 33.01 30.16 2ron s GLN 115 CO 0.84 -1.07 1.09 -1.25 -2.12 0.00 0.00 175.29 172.79 2ron s PRO 116 N 3.13 0.15 0.07 2.91 0.04 -1.26 -1.32 135.00 138.72 2ron s PRO 116 Ca 0.28 0.43 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 2ron s PRO 116 Cb -0.13 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 2ron s PRO 116 CO 0.21 -2.90 1.39 -1.00 0.04 0.00 0.00 177.00 174.74 2ron h PRO 117 N -2.01 0.56 -6.75 0.56 0.13 -1.96 -3.43 132.00 119.10 2ron h PRO 117 Ca -0.54 -0.29 -0.55 0.00 -0.87 0.00 0.00 66.00 63.74 2ron h PRO 117 Cb 1.33 0.01 0.19 0.00 0.13 0.00 0.00 31.00 32.66 2ron h PRO 117 CO 0.56 0.88 -0.34 -2.39 -0.23 0.00 0.00 178.00 176.48 2ron n HIS 118 N -4.38 -0.67 -3.48 1.56 1.44 -1.26 -4.87 115.22 103.55 2ron n HIS 118 Ca -0.05 0.33 -0.11 0.00 -2.01 0.00 0.00 57.72 55.88 2ron n HIS 118 Cb 0.43 -1.91 -0.03 0.00 0.12 0.00 0.00 29.99 28.59 2ron n HIS 118 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2ron s ILE 119 N -2.02 0.00 0.17 0.61 -5.25 -1.26 -4.71 121.20 108.74 2ron s ILE 119 Ca 0.65 0.00 -0.32 0.00 -0.99 0.00 0.00 60.65 59.99 2ron s ILE 119 Cb -0.31 -1.00 -0.10 0.00 2.95 0.00 0.00 42.46 43.99 2ron s ILE 119 CO 0.59 0.00 1.60 -1.58 -1.79 0.00 0.00 174.94 173.76 2ron s GLN 120 N -2.94 4.19 -0.60 0.37 0.74 -1.26 -4.84 119.66 115.33 2ron s GLN 120 Ca 0.01 2.41 -0.30 0.00 0.05 0.00 0.00 55.36 57.54 2ron s GLN 120 Cb -0.01 -3.14 -0.12 0.00 1.10 0.00 0.00 33.01 30.83 2ron s GLN 120 CO -0.07 -0.64 2.45 2.89 -0.55 0.00 0.00 175.29 179.36 2ron n ARG 121 N 4.00 0.78 -4.50 1.67 1.85 -1.26 -4.88 116.66 114.32 2ron n ARG 121 Ca 0.14 0.08 -0.25 0.00 -1.00 0.00 0.00 57.85 56.82 2ron n ARG 121 Cb 0.38 -2.66 -0.08 0.00 -1.05 0.00 0.00 32.46 29.05 2ron n ARG 121 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2ron s LYS 122 N 7.99 1.95 0.15 2.89 3.01 -1.26 -5.09 119.74 129.37 2ron s LYS 122 Ca 1.12 -2.19 0.02 0.00 -1.01 0.00 0.00 55.97 53.91 2ron s LYS 122 Cb -0.64 -0.48 -0.04 0.00 -1.01 0.00 0.00 37.83 35.67 2ron s LYS 122 CO 0.38 -0.53 0.27 0.21 0.51 0.00 0.00 175.35 176.19 2ron s LYS 123 N -3.65 3.41 -0.10 1.68 2.20 -1.26 -4.52 119.74 117.51 2ron s LYS 123 Ca 0.24 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 2ron s LYS 123 Cb 0.02 -2.95 0.12 0.00 -1.51 0.00 0.00 37.83 33.50 2ron s LYS 123 CO 0.16 0.52 0.95 0.54 -0.36 0.00 0.00 175.35 177.16 2ron s VAL 124 N -1.73 0.00 -0.38 4.02 0.11 -1.26 -5.03 120.40 116.13 2ron s VAL 124 Ca 0.34 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 2ron s VAL 124 Cb -0.11 -1.00 0.56 0.00 -1.53 0.00 0.00 36.38 34.30 2ron s VAL 124 CO 0.28 0.00 1.58 -1.54 -3.33 0.00 0.00 175.10 172.09 2ron n SER 125 N 0.34 4.02 0.00 3.54 3.41 -1.26 -4.52 113.62 119.16 2ron n SER 125 Ca -0.10 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 2ron n SER 125 Cb 0.59 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2ron n SER 125 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2ron n HIS 126 N -0.20 0.00 -4.23 7.33 -0.00 -1.26 -5.01 115.22 111.85 2ron n HIS 126 Ca 0.34 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.93 2ron n HIS 126 Cb 1.20 -0.40 -0.10 0.00 -0.00 0.00 0.00 29.99 30.70 2ron n HIS 126 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ron s LEU 127 N -3.37 2.52 0.00 0.27 1.43 -1.26 -5.03 118.68 113.24 2ron s LEU 127 Ca 0.00 -1.01 0.15 0.00 -1.03 0.00 0.00 54.13 52.24 2ron s LEU 127 Cb 0.00 -0.26 0.71 0.00 0.03 0.00 0.00 46.19 46.66 2ron s LEU 127 CO 0.00 -0.37 1.42 -0.81 0.23 0.00 0.00 176.35 176.82 2ron n PRO 128 N -0.14 0.15 -0.89 1.29 -0.04 -1.26 -2.70 135.00 131.40 2ron n PRO 128 Ca -0.11 0.18 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 2ron n PRO 128 Cb 0.61 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.35 3.77 0.00 3.54 8.00 -1.26 -4.68 116.55 124.58 2ron n ASP 129 Ca 0.06 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.43 2ron n ASP 129 Cb 0.13 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2ron n ASP 129 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ron n ASP 130 N -0.53 0.00 -0.20 -2.24 8.00 -1.10 -0.36 116.55 120.13 2ron n ASP 130 Ca 0.41 0.97 -0.01 0.00 0.71 0.00 0.00 54.79 56.87 2ron n ASP 130 Cb 1.32 -0.47 0.21 0.00 -0.02 0.00 0.00 41.12 42.16 2ron n ASP 130 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2ron h GLN 131 N 0.00 0.96 0.00 -1.24 3.07 -1.83 -1.22 115.11 114.85 2ron h GLN 131 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.63 2ron h GLN 131 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.37 2ron h GLN 131 CO 0.00 0.71 0.00 1.19 0.09 0.00 0.00 178.83 180.82 2ron n PHE 132 N -4.36 0.00 0.26 0.06 3.01 -0.89 -0.11 117.46 115.43 2ron n PHE 132 Ca 0.07 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.71 2ron n PHE 132 Cb 0.11 -0.27 0.91 0.00 -0.01 0.00 0.00 39.48 40.22 2ron n PHE 132 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2ron h LEU 133 N 0.00 0.00 0.56 4.37 8.10 -0.75 0.40 115.31 127.99 2ron h LEU 133 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 2ron h LEU 133 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.23 2ron h LEU 133 CO 0.00 0.00 -0.27 0.44 -4.11 0.00 0.00 178.44 174.50 2ron h ASP 134 N 0.00 -0.63 0.20 0.17 3.32 -0.64 0.06 116.42 118.89 2ron h ASP 134 Ca 0.05 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2ron h ASP 134 Cb 0.44 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2ron h ASP 134 CO -0.00 -0.26 -0.29 1.12 -1.72 0.00 0.00 179.24 178.09 2ron h HIS 135 N -1.13 0.17 0.00 4.55 2.07 -0.08 -2.41 115.15 118.32 2ron h HIS 135 Ca -0.08 -0.03 -0.07 0.00 -2.85 0.00 0.00 60.37 57.34 2ron h HIS 135 Cb 0.57 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.50 2ron h HIS 135 CO 0.01 0.43 -0.35 0.97 -3.07 0.00 0.00 177.93 175.92 2ron h ILE 136 N 0.14 0.76 -6.97 6.12 2.10 -0.97 -3.47 117.51 115.21 2ron h ILE 136 Ca 0.02 -1.55 -0.58 0.00 1.08 0.00 0.00 64.86 63.83 2ron h ILE 136 Cb 0.59 2.00 -0.17 0.00 -1.09 0.00 0.00 36.82 38.15 2ron h ILE 136 CO 0.04 0.34 -0.92 2.30 -1.08 0.00 0.00 178.15 178.84 2ron n ILE 137 N -3.41 -1.21 -0.00 2.19 -5.35 0.01 -4.84 119.36 106.75 2ron n ILE 137 Ca 0.00 -0.49 -0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2ron n ILE 137 Cb 0.54 -1.14 -0.00 0.00 -1.74 0.00 0.00 39.64 37.29 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 -4.46 0.01 -2.42 6.28 7.27 -1.25 -4.42 117.38 118.39 2ron n GLN 138 Ca -0.27 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.61 2ron n GLN 138 Cb 0.63 -0.25 -0.01 0.00 2.41 0.00 0.00 30.24 33.03 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ron n LEU 139 N -2.57 -1.78 0.00 1.69 7.99 -1.26 -2.82 117.00 118.24 2ron n LEU 139 Ca -0.00 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2ron n LEU 139 Cb 0.01 -2.77 0.00 0.00 -0.11 0.00 0.00 43.42 40.55 2ron n LEU 139 CO 0.00 -0.19 0.00 0.61 -1.51 0.00 0.00 177.39 176.30 2ron n GLY 140 N -0.98 2.57 0.00 -0.72 0.00 -1.26 -4.74 105.19 100.07 2ron n GLY 140 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2ron n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 141 N 0.00 1.09 2.47 -0.02 0.00 -1.13 -5.09 105.19 102.52 2ron n GLY 141 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.50 -0.52 1.61 0.00 -1.25 -5.04 119.30 114.59 2ron s MET 142 Ca 0.00 -1.21 -0.27 0.00 0.00 0.00 0.00 55.69 54.21 2ron s MET 142 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 34.83 33.53 2ron s MET 142 CO 0.00 -1.18 1.81 -1.25 0.00 0.00 0.00 175.02 174.40 2ron s PRO 143 N 1.22 2.89 -0.30 4.11 0.04 -1.26 -4.71 135.00 136.99 2ron s PRO 143 Ca 0.17 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 61.91 2ron s PRO 143 Cb -0.22 -4.31 0.17 0.00 0.04 0.00 0.00 34.50 30.18 2ron s PRO 143 CO -0.04 -2.41 0.99 0.00 0.04 0.00 0.00 177.00 175.57 2ron s ALA 144 N 8.22 -2.75 0.00 8.56 0.00 -1.26 -5.03 121.76 129.49 2ron s ALA 144 Ca 0.70 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.66 2ron s ALA 144 Cb -0.15 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2ron s ALA 144 CO 0.25 -1.00 0.03 0.39 0.00 0.00 0.00 175.76 175.43 2ron n GLU 145 N 5.02 2.49 -0.13 0.00 1.02 -1.26 -4.75 120.64 123.03 2ron n GLU 145 Ca -0.09 -0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.05 2ron n GLU 145 Cb 0.53 -0.27 0.03 0.00 -0.02 0.00 0.00 31.44 31.70 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2ron n LEU 146 N -0.36 1.06 0.00 -4.62 -0.00 -1.26 -4.70 117.00 107.12 2ron n LEU 146 Ca 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 56.01 54.56 2ron n LEU 146 Cb 0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2ron n LEU 146 CO 0.00 0.35 0.10 1.33 -0.00 0.00 0.00 177.39 179.17 2ron n VAL 147 N -0.45 0.00 0.31 1.47 0.24 -1.26 -4.69 118.33 113.95 2ron n VAL 147 Ca 0.03 -0.39 0.19 0.00 -2.04 0.00 0.00 64.34 62.13 2ron n VAL 147 Cb 0.51 1.11 1.04 0.00 -1.47 0.00 0.00 33.84 35.03 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 4.11 -1.85 -1.12 114.58 123.06 2ron h GLU 148 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ron h GLU 148 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2ron h GLU 148 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 2ron n ASN 149 N -3.32 0.00 -0.18 3.06 3.02 -1.26 -2.36 115.26 114.22 2ron n ASN 149 Ca -0.02 0.44 0.27 0.00 -0.03 0.00 0.00 54.58 55.25 2ron n ASN 149 Cb 0.16 -0.24 0.70 0.00 -0.61 0.00 0.00 39.78 39.79 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ron h LYS 150 N 0.00 0.04 -0.58 3.52 2.10 -1.89 0.14 116.57 119.90 2ron h LYS 150 Ca 0.00 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 2ron h LYS 150 Cb 0.00 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2ron h LYS 150 CO 0.00 0.03 0.16 0.93 -2.00 0.00 0.00 179.45 178.56 2ron h GLU 151 N 0.04 0.92 0.00 0.07 5.08 -1.30 0.28 114.58 119.68 2ron h GLU 151 Ca 0.42 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2ron h GLU 151 Cb 1.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2ron h GLU 151 CO -0.02 0.85 -0.21 -0.24 -1.00 0.00 0.00 179.01 178.38 2ron h VAL 152 N 0.83 0.60 -0.18 3.13 3.04 -0.34 0.35 116.25 123.69 2ron h VAL 152 Ca 0.18 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2ron h VAL 152 Cb 0.33 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2ron h VAL 152 CO -0.00 0.21 0.00 0.23 -1.01 0.00 0.00 177.57 177.00 2ron n MET 153 N -3.48 2.25 0.00 4.17 2.81 -0.93 -4.22 117.12 117.72 2ron n MET 153 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.88 2ron n MET 153 Cb 0.38 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2ron n MET 153 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2ron n SER 154 N 1.32 0.00 -0.11 7.83 7.64 0.95 -4.41 113.62 126.83 2ron n SER 154 Ca 0.15 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.30 2ron n SER 154 Cb 0.57 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.47 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 155 N 0.00 0.00 -4.70 1.43 0.04 -0.48 -3.40 116.94 109.83 2ron h PHE 155 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2ron h PHE 155 Cb 0.00 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.24 2ron h PHE 155 CO 0.00 0.00 -0.39 0.34 -0.60 0.00 0.00 178.31 177.66 2ron n PHE 156 N -3.83 -1.86 -1.06 -0.55 -0.00 -1.05 -4.23 117.46 104.88 2ron n PHE 156 Ca 0.17 0.67 -0.35 0.00 -0.00 0.00 0.00 57.45 57.94 2ron n PHE 156 Cb 1.00 -3.53 0.09 0.00 -0.00 0.00 0.00 39.48 37.03 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 -2.29 0.02 -1.70 -2.13 -0.00 -1.26 -4.55 117.00 105.08 2ron n LEU 157 Ca -0.03 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 2ron n LEU 157 Cb 0.55 -1.19 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 2ron n LEU 157 CO 0.40 -3.49 0.47 -0.81 -0.00 0.00 0.00 177.39 173.96 2ron n PRO 158 N -0.94 0.49 -3.62 1.47 -0.04 -1.26 -4.46 135.00 126.64 2ron n PRO 158 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2ron n PRO 158 Cb 0.52 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.93 3.40 0.01 3.54 0.15 -1.26 -4.95 113.70 116.51 2ron s SER 159 Ca 0.00 -2.43 -0.06 0.00 0.70 0.00 0.00 55.95 54.16 2ron s SER 159 Cb 0.00 -0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 63.49 2ron s SER 159 CO 0.00 -0.29 1.10 -0.26 1.20 0.00 0.00 173.24 174.99 2ron h PHE 160 N 6.88 -0.24 -1.03 3.44 0.04 -1.98 -1.05 116.94 123.00 2ron h PHE 160 Ca 0.01 -0.00 0.42 0.00 2.80 0.00 0.00 57.97 61.20 2ron h PHE 160 Cb 0.95 0.09 -0.18 0.00 2.20 0.00 0.00 35.95 39.01 2ron h PHE 160 CO 0.46 -0.12 0.57 0.07 -0.60 0.00 0.00 178.31 178.69 2ron h ARG 161 N -0.19 0.02 0.00 1.51 0.11 -1.95 0.60 114.38 114.47 2ron h ARG 161 Ca -0.02 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2ron h ARG 161 Cb 0.16 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2ron h ARG 161 CO 0.01 0.01 0.00 0.45 0.10 0.00 0.00 179.97 180.54 2ron n SER 162 N -5.21 0.00 -0.12 0.08 2.88 -0.99 -1.92 113.62 108.34 2ron n SER 162 Ca 0.38 0.64 -0.06 0.00 -1.33 0.00 0.00 58.87 58.50 2ron n SER 162 Cb 1.30 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 64.49 2ron n SER 162 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ron h ASP 163 N 0.00 -0.76 -0.09 -3.46 3.58 -0.48 0.36 116.42 115.57 2ron h ASP 163 Ca 0.00 0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.62 2ron h ASP 163 Cb 0.00 0.39 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2ron h ASP 163 CO 0.00 -0.25 -0.12 1.88 -2.88 0.00 0.00 179.24 177.87 2ron h TYR 164 N -0.15 -0.37 0.00 0.28 -1.99 0.07 0.45 116.97 115.26 2ron h TYR 164 Ca 0.20 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2ron h TYR 164 Cb 0.46 0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.36 2ron h TYR 164 CO -0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 178.16 177.59 2ron h ARG 165 N -0.09 0.00 0.00 4.88 3.08 -1.12 0.34 114.38 121.47 2ron h ARG 165 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2ron h ARG 165 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2ron h ARG 165 CO -0.13 0.00 -0.21 0.00 -1.07 0.00 0.00 179.97 178.56 2ron h ALA 166 N 2.02 0.89 -0.00 0.04 0.00 0.34 0.34 119.26 122.89 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ron h ALA 166 CO 0.00 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 180.45 2ron n LEU 167 N -2.84 0.79 0.00 0.00 4.77 0.12 -4.75 117.00 115.08 2ron n LEU 167 Ca 0.04 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 2ron n LEU 167 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2ron n LEU 167 CO 0.35 0.17 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.71 2ron n GLU 168 N -0.40 0.41 -1.95 3.23 -0.58 0.97 -5.02 120.64 117.30 2ron n GLU 168 Ca 0.02 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 2ron n GLU 168 Cb 0.08 -0.75 -0.05 0.00 -0.57 0.00 0.00 31.44 30.14 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 -1.86 -1.57 0.00 3.49 6.02 0.12 -4.74 117.38 118.84 2ron n GLN 169 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 57.00 58.09 2ron n GLN 169 Cb 0.25 -5.60 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 -3.05 0.00 -1.13 1.08 3.72 -1.26 -5.05 117.46 111.77 2ron n PHE 170 Ca -0.22 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.83 2ron n PHE 170 Cb 0.67 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.79 0.12 -3.64 -1.08 -0.58 -1.26 -5.01 120.64 107.40 2ron n GLU 171 Ca 0.00 0.08 -0.24 0.00 -0.42 0.00 0.00 57.16 56.58 2ron n GLU 171 Cb 0.27 -1.74 0.02 0.00 -0.57 0.00 0.00 31.44 29.42 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 0.41 2.78 0.00 -4.62 1.43 -1.26 -4.83 118.68 112.59 2ron s LEU 172 Ca 0.61 -1.15 0.16 0.00 -1.03 0.00 0.00 54.13 52.72 2ron s LEU 172 Cb -0.31 -1.28 0.66 0.00 0.03 0.00 0.00 46.19 45.29 2ron s LEU 172 CO 0.62 -1.21 1.47 0.00 0.23 0.00 0.00 176.35 177.46 2ron n TYR 173 N -1.93 0.20 -3.40 0.29 4.19 -1.26 -4.71 117.16 110.55 2ron n TYR 173 Ca 0.03 -0.10 -0.44 0.00 3.31 0.00 0.00 57.90 60.70 2ron n TYR 173 Cb 0.64 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.39 2ron n TYR 173 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2ron s ASP 174 N -1.39 6.08 0.00 2.98 1.01 -1.26 -4.82 116.67 119.26 2ron s ASP 174 Ca 0.26 -1.52 0.00 0.00 0.71 0.00 0.00 52.55 52.00 2ron s ASP 174 Cb 0.13 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.90 2ron s ASP 174 CO 0.20 -0.70 0.09 0.00 0.21 0.00 0.00 175.17 174.97 2ron n LEU 175 N 5.17 0.16 -4.55 1.23 -0.00 -1.26 -5.05 117.00 112.69 2ron n LEU 175 Ca -0.12 -0.57 -0.30 0.00 -0.00 0.00 0.00 56.01 55.01 2ron n LEU 175 Cb 0.42 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 44.09 2ron n LEU 175 CO 0.48 0.04 0.59 0.00 -0.00 0.00 0.00 177.39 178.50 2ron s ALA 176 N -0.89 0.41 -0.88 1.47 0.00 -1.26 -4.47 121.76 116.13 2ron s ALA 176 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2ron s ALA 176 Cb 0.00 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2ron s ALA 176 CO 0.01 -3.73 0.77 1.04 0.00 0.00 0.00 175.76 173.85 2ron n GLN 177 N -4.88 -2.50 -3.68 0.00 6.02 -1.25 -5.00 117.38 106.08 2ron n GLN 177 Ca 0.13 0.71 -0.21 0.00 -0.01 0.00 0.00 57.00 57.62 2ron n GLN 177 Cb 0.59 -5.10 -0.18 0.00 1.02 0.00 0.00 30.24 26.58 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 -3.32 -0.05 -0.31 5.09 -1.09 -1.26 -5.08 121.20 115.19 2ron s ILE 178 Ca 0.31 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.15 2ron s ILE 178 Cb -0.04 -0.21 0.18 0.00 -1.58 0.00 0.00 42.46 40.81 2ron s ILE 178 CO 0.61 0.18 0.50 0.00 -1.23 0.00 0.00 174.94 174.99 2ron s GLN 179 N 2.14 0.53 0.00 2.79 -2.07 -1.26 -2.52 119.66 119.27 2ron s GLN 179 Ca 0.05 0.19 0.00 0.00 -1.82 0.00 0.00 55.36 53.78 2ron s GLN 179 Cb -0.12 -0.07 0.00 0.00 -1.09 0.00 0.00 33.01 31.72 2ron s GLN 179 CO -0.03 -1.07 0.00 0.43 -1.32 0.00 0.00 175.29 173.30 2ron n SER 180 N 5.22 0.00 -3.07 12.60 7.64 -1.26 -4.85 113.62 129.90 2ron n SER 180 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2ron n SER 180 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 0.10 -4.11 1.43 -0.04 -1.26 -4.00 135.00 127.11 2ron n PRO 181 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2ron n PRO 181 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2ron n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ron s VAL 182 N -0.45 1.87 -0.15 0.52 1.01 -1.25 -3.45 120.40 118.50 2ron s VAL 182 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2ron s VAL 182 Cb 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.72 2ron s VAL 182 CO 0.00 0.51 -0.01 -1.00 0.00 0.00 0.00 175.10 174.59 2ron s HIS 183 N 1.34 1.26 0.09 5.22 3.76 -0.86 -1.58 115.29 124.51 2ron s HIS 183 Ca 0.04 -0.80 0.08 0.00 -0.15 0.00 0.00 55.06 54.24 2ron s HIS 183 Cb -0.13 -1.11 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 2ron s HIS 183 CO -0.11 -0.55 -0.21 0.08 -0.85 0.00 0.00 174.74 173.10 2ron s VAL 184 N 1.78 1.75 -0.03 -0.90 1.01 -1.19 -3.51 120.40 119.31 2ron s VAL 184 Ca 0.01 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.55 2ron s VAL 184 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2ron s VAL 184 CO -0.07 0.01 -0.16 -0.36 0.00 0.00 0.00 175.10 174.52 2ron s PHE 185 N -1.07 1.53 0.05 5.22 0.08 0.83 -2.72 117.98 121.89 2ron s PHE 185 Ca 0.07 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 2ron s PHE 185 Cb -0.10 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2ron s PHE 185 CO 0.04 -0.11 -0.03 -0.80 -0.10 0.00 0.00 175.22 174.21 2ron s ASN 186 N -0.08 0.54 0.00 1.36 0.01 -0.61 -0.12 114.94 116.04 2ron s ASN 186 Ca -0.00 -0.94 0.00 0.00 -0.71 0.00 0.00 52.86 51.21 2ron s ASN 186 Cb -0.09 0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.74 2ron s ASN 186 CO 0.01 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.67 2ron n GLY 187 N 0.28 0.91 4.35 0.66 0.00 -0.48 -3.78 105.19 107.14 2ron n GLY 187 Ca -0.15 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.94 0.28 0.99 -0.00 -0.44 -3.45 117.00 113.44 2ron n LEU 188 Ca 0.00 -1.09 0.19 0.00 -0.00 0.00 0.00 56.01 55.11 2ron n LEU 188 Cb 0.00 -1.66 1.01 0.00 -0.00 0.00 0.00 43.42 42.77 2ron n LEU 188 CO 0.00 0.13 1.07 -2.24 -0.00 0.00 0.00 177.39 176.35 2ron h ASP 189 N -0.93 0.00 0.00 1.45 2.03 -1.89 -3.15 116.42 113.93 2ron h ASP 189 Ca -0.56 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2ron h ASP 189 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2ron h ASP 189 CO 0.82 0.00 -0.02 0.44 -1.03 0.00 0.00 179.24 179.45 2ron h ASP 190 N 0.00 0.00 -2.89 4.15 5.19 -1.87 0.50 116.42 121.50 2ron h ASP 190 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 2ron h ASP 190 Cb 0.01 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.47 2ron h ASP 190 CO 0.00 0.07 -0.43 -0.75 -3.12 0.00 0.00 179.24 175.01 2ron s LYS 191 N -1.10 3.51 0.00 3.56 2.20 -1.19 -3.12 119.74 123.60 2ron s LYS 191 Ca -0.01 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2ron s LYS 191 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2ron s LYS 191 CO 0.01 0.64 0.00 1.17 -0.36 0.00 0.00 175.35 176.81 2ron n LYS 192 N 0.86 0.00 -0.10 4.03 4.81 -1.26 -4.73 118.16 121.77 2ron n LYS 192 Ca -0.10 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.54 2ron n LYS 192 Cb 0.52 -0.65 0.61 0.00 0.02 0.00 0.00 35.03 35.54 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 0.18 1.15 0.19 0.00 -0.00 -1.99 -1.27 117.51 115.78 2ron h ILE 194 Ca 0.33 -1.60 -0.26 0.00 -0.00 0.00 0.00 64.86 63.34 2ron h ILE 194 Cb 1.05 1.90 0.03 0.00 -0.00 0.00 0.00 36.82 39.80 2ron h ILE 194 CO -0.06 0.43 -1.13 -0.09 -0.00 0.00 0.00 178.15 177.30 2ron h ARG 195 N 0.00 0.41 -0.23 2.19 9.65 -0.77 -1.24 114.38 124.40 2ron h ARG 195 Ca -0.00 -0.70 -0.12 0.00 -1.10 0.00 0.00 59.98 58.06 2ron h ARG 195 Cb 0.87 0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2ron h ARG 195 CO 0.06 1.34 -0.35 0.22 2.80 0.00 0.00 179.97 184.03 2ron h ASP 196 N -0.13 0.50 0.04 -3.80 3.58 -1.24 0.48 116.42 115.85 2ron h ASP 196 Ca -0.20 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.05 2ron h ASP 196 Cb 1.89 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.80 2ron h ASP 196 CO 0.21 0.82 -0.02 0.00 -2.88 0.00 0.00 179.24 177.37 2ron h ALA 197 N 1.21 -0.05 0.00 -0.78 0.00 -1.33 -1.95 119.26 116.36 2ron h ALA 197 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ron h ALA 197 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ron h ALA 197 CO 0.07 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.65 2ron n GLU 198 N -4.75 0.19 0.00 0.00 -0.58 -0.47 -1.48 120.64 113.55 2ron n GLU 198 Ca -0.05 0.38 -0.22 0.00 -0.42 0.00 0.00 57.16 56.86 2ron n GLU 198 Cb 0.21 -1.84 -0.14 0.00 -0.57 0.00 0.00 31.44 29.10 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 2.65 0.29 1.65 0.62 0.00 -0.12 -3.37 103.07 104.80 2ron h GLY 199 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2ron h GLY 199 CO 0.00 0.66 -0.23 1.87 0.00 0.00 0.00 176.54 178.84 2ron n TRP 200 N -3.56 0.52 -0.08 5.60 -0.00 -0.73 -3.68 117.44 115.50 2ron n TRP 200 Ca -0.31 0.15 0.01 0.00 -0.00 0.00 0.00 57.50 57.35 2ron n TRP 200 Cb 1.02 -0.69 0.32 0.00 -0.00 0.00 0.00 31.31 31.96 2ron n TRP 200 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2ron h LYS 201 N 0.00 0.70 0.00 5.87 5.09 -1.42 -2.04 116.57 124.78 2ron h LYS 201 Ca 0.00 -0.07 -0.17 0.00 0.09 0.00 0.00 60.65 60.49 2ron h LYS 201 Cb 0.66 -0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.83 2ron h LYS 201 CO 0.00 0.53 -0.82 1.57 -2.09 0.00 0.00 179.45 178.65 2ron h LYS 202 N 0.71 0.05 -2.12 0.07 2.10 -1.77 -3.47 116.57 112.14 2ron h LYS 202 Ca 0.18 -0.05 -0.42 0.00 -2.00 0.00 0.00 60.65 58.36 2ron h LYS 202 Cb 0.05 0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 31.31 2ron h LYS 202 CO -0.03 0.84 -0.47 0.91 -2.00 0.00 0.00 179.45 178.70 2ron n TRP 203 N -3.61 -0.56 -3.18 0.07 7.02 -0.77 -3.81 117.44 112.61 2ron n TRP 203 Ca -0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.07 2ron n TRP 203 Cb 0.78 -3.77 -0.07 0.00 -2.42 0.00 0.00 31.31 25.83 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 -2.93 3.60 -0.31 6.99 0.00 -1.26 -4.74 121.76 123.10 2ron s ALA 204 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2ron s ALA 204 Cb 0.00 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.26 2ron s ALA 204 CO 0.00 -0.74 -0.01 0.15 0.00 0.00 0.00 175.76 175.16 2ron s LYS 205 N 2.34 1.75 0.74 0.00 1.02 -1.05 -4.93 119.74 119.61 2ron s LYS 205 Ca 0.24 -1.67 -0.04 0.00 0.02 0.00 0.00 55.97 54.52 2ron s LYS 205 Cb -0.16 -3.08 0.12 0.00 -0.52 0.00 0.00 37.83 34.20 2ron s LYS 205 CO 0.09 -0.80 1.03 -0.51 -0.92 0.00 0.00 175.35 174.24 2ron s ASP 206 N 0.99 4.29 0.34 2.83 1.01 -1.25 -4.39 116.67 120.48 2ron s ASP 206 Ca 0.04 -0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.26 2ron s ASP 206 Cb -0.19 -0.32 0.70 0.00 1.01 0.00 0.00 42.92 44.12 2ron s ASP 206 CO -0.07 -1.91 1.89 -0.29 0.21 0.00 0.00 175.17 175.01 2ron h ILE 207 N -0.68 0.94 -3.23 0.77 6.09 -1.69 -3.39 117.51 116.32 2ron h ILE 207 Ca -0.40 -0.28 -0.45 0.00 -1.37 0.00 0.00 64.86 62.36 2ron h ILE 207 Cb 1.27 0.05 -0.39 0.00 0.47 0.00 0.00 36.82 38.21 2ron h ILE 207 CO 0.44 0.15 -0.76 -0.89 -3.07 0.00 0.00 178.15 174.02 2ron s THR 208 N -5.76 0.26 0.04 2.19 2.01 -1.26 -5.10 115.64 108.01 2ron s THR 208 Ca -0.10 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2ron s THR 208 Cb 0.21 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 72.12 2ron s THR 208 CO 0.79 0.02 0.27 0.72 -0.69 0.00 0.00 174.62 175.73 2ron s PHE 209 N 2.00 -0.06 -0.01 4.92 -0.71 -1.26 -2.04 117.98 120.83 2ron s PHE 209 Ca 0.03 -0.10 -0.29 0.00 -1.04 0.00 0.00 56.93 55.54 2ron s PHE 209 Cb -0.14 0.06 0.10 0.00 -1.21 0.00 0.00 43.02 41.83 2ron s PHE 209 CO -0.06 -0.48 0.88 -1.58 -1.34 0.00 0.00 175.22 172.64 2ron s HIS 210 N -2.52 -0.36 -0.34 3.49 2.46 -1.23 -4.99 115.29 111.80 2ron s HIS 210 Ca -0.05 0.27 -0.01 0.00 0.47 0.00 0.00 55.06 55.74 2ron s HIS 210 Cb -0.01 0.53 0.13 0.00 -0.13 0.00 0.00 32.58 33.10 2ron s HIS 210 CO -0.03 -0.54 0.20 1.14 -2.47 0.00 0.00 174.74 173.03 2ron s GLN 211 N -2.95 0.50 -0.50 2.88 -2.07 -1.25 -0.12 119.66 116.15 2ron s GLN 211 Ca 0.04 -1.19 -0.26 0.00 -1.82 0.00 0.00 55.36 52.13 2ron s GLN 211 Cb -0.01 -1.30 0.03 0.00 -1.09 0.00 0.00 33.01 30.65 2ron s GLN 211 CO -0.08 -1.17 0.98 0.12 -1.32 0.00 0.00 175.29 173.82 2ron s PHE 212 N 1.25 2.85 -0.08 9.60 5.36 0.82 -4.97 117.98 132.81 2ron s PHE 212 Ca 0.16 0.33 0.03 0.00 -0.96 0.00 0.00 56.93 56.50 2ron s PHE 212 Cb -0.22 -4.11 0.01 0.00 -0.34 0.00 0.00 43.02 38.36 2ron s PHE 212 CO -0.06 -1.23 -0.18 0.16 -1.46 0.00 0.00 175.22 172.45 2ron s ASP 213 N 2.49 2.36 -0.00 6.13 1.47 -1.26 -1.38 116.67 126.48 2ron s ASP 213 Ca 0.37 -0.41 -0.00 0.00 1.18 0.00 0.00 52.55 53.69 2ron s ASP 213 Cb -0.10 -1.04 -0.00 0.00 -0.34 0.00 0.00 42.92 41.44 2ron s ASP 213 CO 0.25 0.10 0.36 1.23 0.68 0.00 0.00 175.17 177.79 2ron h GLY 214 N 6.78 -0.00 -1.11 2.12 0.00 -1.70 -3.44 103.07 105.71 2ron h GLY 214 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2ron h GLY 214 CO 0.47 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.62 2ron n GLY 215 N 0.92 -0.82 0.14 4.60 0.00 0.14 -4.85 105.19 105.32 2ron n GLY 215 Ca -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 0.00 -0.61 1.61 1.44 0.80 -4.26 115.22 114.15 2ron n HIS 216 Ca 0.00 -0.33 -0.29 0.00 -2.01 0.00 0.00 57.72 55.09 2ron n HIS 216 Cb 0.00 -0.06 0.18 0.00 0.12 0.00 0.00 29.99 30.23 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 -0.42 -1.98 -0.22 -1.40 0.00 -1.18 -3.92 117.12 108.01 2ron n MET 217 Ca 0.03 -0.57 0.28 0.00 0.00 0.00 0.00 57.70 57.44 2ron n MET 217 Cb 0.52 -1.66 0.69 0.00 0.00 0.00 0.00 33.22 32.76 2ron n MET 217 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2ron h PHE 218 N -2.31 0.12 0.00 1.12 3.57 -1.92 0.27 116.94 117.78 2ron h PHE 218 Ca -0.47 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.68 2ron h PHE 218 Cb 1.23 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 2ron h PHE 218 CO -0.77 0.02 -2.06 1.28 -2.23 0.00 0.00 178.31 174.55 2ron n LEU 219 N -4.31 1.93 -0.18 0.59 4.77 -1.26 -3.78 117.00 114.76 2ron n LEU 219 Ca 0.20 0.36 0.26 0.00 -0.03 0.00 0.00 56.01 56.81 2ron n LEU 219 Cb 0.96 -0.84 0.68 0.00 -2.33 0.00 0.00 43.42 41.89 2ron n LEU 219 CO 0.37 0.39 1.25 -0.07 -1.33 0.00 0.00 177.39 178.00 2ron h LEU 220 N -1.00 0.08 0.00 2.23 3.38 -1.78 0.29 115.31 118.51 2ron h LEU 220 Ca -0.54 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.19 2ron h LEU 220 Cb 1.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2ron h LEU 220 CO -0.32 0.03 -1.12 -1.28 0.09 0.00 0.00 178.44 175.84 2ron h SER 221 N 0.08 0.43 0.53 -0.43 0.87 -0.60 -3.36 113.55 111.07 2ron h SER 221 Ca 0.43 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2ron h SER 221 Cb 1.57 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.40 2ron h SER 221 CO -0.04 1.28 -0.25 -0.61 -0.53 0.00 0.00 176.83 176.67 2ron h GLN 222 N 0.12 -0.68 -5.91 2.24 4.15 -0.61 -3.39 115.11 111.03 2ron h GLN 222 Ca -0.11 0.05 -0.42 0.00 0.77 0.00 0.00 58.65 58.93 2ron h GLN 222 Cb 1.82 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 29.60 2ron h GLN 222 CO 0.18 -0.44 1.06 0.95 -1.93 0.00 0.00 178.83 178.66 2ron s THR 223 N -3.94 3.56 0.37 2.39 -4.23 -0.23 -4.79 115.64 108.76 2ron s THR 223 Ca -0.11 -0.27 0.25 0.00 -1.18 0.00 0.00 61.69 60.38 2ron s THR 223 Cb 0.01 -4.31 0.26 0.00 1.34 0.00 0.00 72.50 69.80 2ron s THR 223 CO 0.33 -1.24 2.00 -0.33 -0.54 0.00 0.00 174.62 174.85 2ron h GLU 224 N 11.60 0.00 -0.43 3.99 5.08 -1.81 -2.79 114.58 130.23 2ron h GLU 224 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2ron h GLU 224 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2ron h GLU 224 CO 1.27 0.17 0.14 1.05 -1.00 0.00 0.00 179.01 180.63 2ron h GLU 225 N 0.00 0.66 -0.47 2.33 4.11 -1.93 -1.98 114.58 117.30 2ron h GLU 225 Ca -0.00 -0.14 -0.07 0.00 0.07 0.00 0.00 59.36 59.22 2ron h GLU 225 Cb 0.44 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2ron h GLU 225 CO 0.02 0.64 0.00 0.28 0.07 0.00 0.00 179.01 180.03 2ron h VAL 226 N 0.55 1.26 0.37 -1.06 2.07 -1.85 -1.63 116.25 115.96 2ron h VAL 226 Ca 0.14 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2ron h VAL 226 Cb 0.25 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2ron h VAL 226 CO -0.01 0.37 -0.28 0.00 0.02 0.00 0.00 177.57 177.67 2ron h ALA 227 N 0.92 -0.65 -0.71 1.67 0.00 -1.39 -0.68 119.26 118.42 2ron h ALA 227 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2ron h ALA 227 Cb 0.50 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2ron h ALA 227 CO 0.02 -0.89 0.45 1.49 0.00 0.00 0.00 179.25 180.33 2ron h GLU 228 N -0.65 0.86 -0.34 0.00 4.22 -1.37 -2.05 114.58 115.25 2ron h GLU 228 Ca -0.03 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.40 2ron h GLU 228 Cb 0.56 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2ron h GLU 228 CO -0.00 0.57 0.11 0.00 -2.18 0.00 0.00 179.01 177.51 2ron h ARG 229 N 0.88 0.25 0.36 1.92 2.47 -1.02 0.24 114.38 119.48 2ron h ARG 229 Ca 0.28 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 2ron h ARG 229 Cb 0.01 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2ron h ARG 229 CO -0.10 0.16 -0.18 0.82 0.56 0.00 0.00 179.97 181.23 2ron h ILE 230 N 0.25 0.00 -1.00 2.04 1.08 -0.71 -2.64 117.51 116.53 2ron h ILE 230 Ca 0.15 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.83 2ron h ILE 230 Cb 0.13 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.77 2ron h ILE 230 CO -0.16 0.00 0.61 0.15 -0.69 0.00 0.00 178.15 178.06 2ron h PHE 231 N -0.50 1.03 0.00 1.37 3.04 -1.37 -0.04 116.94 120.48 2ron h PHE 231 Ca -0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2ron h PHE 231 Cb 0.39 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2ron h PHE 231 CO 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 178.31 176.59 2ron n ALA 232 N -2.33 -0.13 -0.20 2.41 0.00 0.85 -0.74 120.51 120.36 2ron n ALA 232 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.83 2ron n ALA 232 Cb 0.64 0.17 0.46 0.00 0.00 0.00 0.00 19.45 20.72 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 0.80 -0.24 0.00 6.09 -1.29 0.30 117.51 123.17 2ron h ILE 233 Ca 0.00 -0.17 0.03 0.00 -1.37 0.00 0.00 64.86 63.35 2ron h ILE 233 Cb 0.00 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 37.53 2ron h ILE 233 CO 0.00 0.09 0.16 -0.07 -3.07 0.00 0.00 178.15 175.27 2ron h LEU 234 N 0.51 0.16 0.00 2.19 -0.00 -0.60 0.59 115.31 118.15 2ron h LEU 234 Ca 0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.28 2ron h LEU 234 Cb 0.82 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2ron h LEU 234 CO -0.15 0.11 -1.74 -3.20 -0.00 0.00 0.00 178.44 173.46 2ron n ASN 235 N -4.49 0.24 -1.24 -0.43 4.05 0.38 -4.18 115.26 109.58 2ron n ASN 235 Ca 0.02 -0.16 0.09 0.00 0.45 0.00 0.00 54.58 54.98 2ron n ASN 235 Cb 0.18 1.69 0.29 0.00 1.23 0.00 0.00 39.78 43.18 2ron n ASN 235 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ron n GLN 236 N -2.14 3.32 0.04 1.20 6.02 0.79 -4.64 117.38 121.96 2ron n GLN 236 Ca -0.02 -2.67 -0.13 0.00 -0.01 0.00 0.00 57.00 54.17 2ron n GLN 236 Cb 0.52 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 30.01 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2ron h HIS 237 N 3.28 -1.21 0.13 1.08 2.76 -0.01 -3.13 115.15 118.05 2ron h HIS 237 Ca 0.00 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2ron h HIS 237 Cb 1.24 0.54 0.00 0.00 1.55 0.00 0.00 27.41 30.74 2ron h HIS 237 CO 0.57 -0.49 -0.06 -1.00 -1.30 0.00 0.00 177.93 175.65 2ron h PRO 238 N -0.55 -0.16 0.00 5.26 0.13 -1.86 -3.46 132.00 131.36 2ron h PRO 238 Ca 0.05 0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.90 2ron h PRO 238 Cb 0.65 0.04 0.14 0.00 0.13 0.00 0.00 31.00 31.95 2ron h PRO 238 CO -0.34 0.26 0.17 0.44 -0.23 0.00 0.00 178.00 178.30 2ron n ILE 239 N -4.95 0.00 -4.16 -3.56 -5.35 -1.18 -5.09 119.36 95.07 2ron n ILE 239 Ca -0.09 -0.49 -0.26 0.00 -0.27 0.00 0.00 62.75 61.64 2ron n ILE 239 Cb 0.26 -1.36 -0.06 0.00 -1.74 0.00 0.00 39.64 36.74 2ron n ILE 239 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 2ron s ILE 240 N -2.70 2.01 0.59 7.28 -4.36 -1.26 -4.87 121.20 117.90 2ron s ILE 240 Ca 0.52 -1.69 -0.09 0.00 -0.26 0.00 0.00 60.65 59.13 2ron s ILE 240 Cb -0.04 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 2ron s ILE 240 CO 0.39 0.00 0.97 -1.10 0.24 0.00 0.00 174.94 175.44 2ron s GLN 241 N -3.98 3.47 0.00 0.37 -0.21 -1.26 -5.03 119.66 113.02 2ron s GLN 241 Ca 0.35 0.55 0.16 0.00 0.02 0.00 0.00 55.36 56.43 2ron s GLN 241 Cb 0.02 -2.16 0.94 0.00 1.00 0.00 0.00 33.01 32.81 2ron s GLN 241 CO 0.20 -0.53 1.35 -0.35 -2.12 0.00 0.00 175.29 173.83