#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ron n SER 2 N 0.00 2.20 -4.20 7.83 2.88 -0.79 -4.61 113.62 116.94 2ron n SER 2 Ca 0.00 0.41 -0.29 0.00 -1.33 0.00 0.00 58.87 57.66 2ron n SER 2 Cb 0.00 -1.28 0.28 0.00 -0.75 0.00 0.00 64.21 62.46 2ron n SER 2 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2ron s GLN 3 N 6.20 -1.74 -0.29 -1.46 0.74 -1.20 -3.79 119.66 118.12 2ron s GLN 3 Ca 1.09 0.67 -0.17 0.00 0.05 0.00 0.00 55.36 57.01 2ron s GLN 3 Cb -0.83 -1.47 0.13 0.00 1.10 0.00 0.00 33.01 31.94 2ron s GLN 3 CO 0.48 -4.23 0.93 -0.48 -0.55 0.00 0.00 175.29 171.45 2ron s LEU 4 N -7.52 -0.57 0.28 3.68 2.34 -1.26 -1.35 118.68 114.27 2ron s LEU 4 Ca 0.69 0.93 -0.29 0.00 0.06 0.00 0.00 54.13 55.52 2ron s LEU 4 Cb -0.23 1.86 -0.09 0.00 -0.56 0.00 0.00 46.19 47.16 2ron s LEU 4 CO 0.64 -0.15 0.99 0.12 -1.06 0.00 0.00 176.35 176.89 2ron s PHE 5 N 1.30 3.78 -0.21 3.48 2.19 -0.54 -4.86 117.98 123.12 2ron s PHE 5 Ca -0.08 1.82 -0.18 0.00 0.33 0.00 0.00 56.93 58.81 2ron s PHE 5 Cb -0.04 -3.06 0.06 0.00 -1.31 0.00 0.00 43.02 38.67 2ron s PHE 5 CO -0.15 0.08 0.56 -1.59 1.83 0.00 0.00 175.22 175.95 2ron s LYS 6 N -1.50 0.64 -0.30 10.12 -2.85 -1.25 -1.59 119.74 123.01 2ron s LYS 6 Ca 0.45 0.82 -0.05 0.00 -1.00 0.00 0.00 55.97 56.19 2ron s LYS 6 Cb -0.26 0.28 0.19 0.00 -2.06 0.00 0.00 37.83 35.98 2ron s LYS 6 CO 0.32 -0.09 0.85 0.45 0.10 0.00 0.00 175.35 176.98 2ron s SER 7 N 0.51 -0.93 0.38 0.03 0.15 -0.13 -4.99 113.70 108.72 2ron s SER 7 Ca -0.02 0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.95 2ron s SER 7 Cb -0.04 1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 65.91 2ron s SER 7 CO -0.02 -0.17 0.54 0.72 1.20 0.00 0.00 173.24 175.50 2ron s PHE 8 N 2.90 3.09 -0.21 3.44 -0.71 -1.26 -0.86 117.98 124.37 2ron s PHE 8 Ca 0.15 -0.14 -0.04 0.00 -1.04 0.00 0.00 56.93 55.86 2ron s PHE 8 Cb -0.08 -2.14 0.11 0.00 -1.21 0.00 0.00 43.02 39.70 2ron s PHE 8 CO -0.21 -0.17 0.34 0.34 -1.34 0.00 0.00 175.22 174.19 2ron s ASP 9 N -4.21 0.36 -2.04 1.98 2.15 -1.26 -4.87 116.67 108.78 2ron s ASP 9 Ca 0.47 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.79 2ron s ASP 9 Cb -0.10 0.98 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 2ron s ASP 9 CO 0.33 -0.28 0.00 0.00 -0.17 0.00 0.00 175.17 175.05 2ron n ALA 10 N 5.36 -0.29 -3.79 3.66 0.00 -1.26 -2.95 120.51 121.23 2ron n ALA 10 Ca -0.05 0.31 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 2ron n ALA 10 Cb 0.50 -1.96 0.04 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.19 -5.02 0.00 0.00 7.64 -1.26 -4.94 113.62 108.85 2ron n SER 11 Ca -0.19 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2ron n SER 11 Cb 0.64 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.96 2ron n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ron n GLU 12 N -4.43 0.00 -3.74 1.43 -0.58 -1.15 -4.96 120.64 107.22 2ron n GLU 12 Ca -0.10 0.50 -0.13 0.00 -0.42 0.00 0.00 57.16 57.01 2ron n GLU 12 Cb 0.58 -1.03 -0.10 0.00 -0.57 0.00 0.00 31.44 30.32 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ron s LYS 13 N -1.12 0.47 -0.59 3.49 1.02 -1.26 -4.83 119.74 116.92 2ron s LYS 13 Ca 0.00 0.55 -0.22 0.00 0.02 0.00 0.00 55.97 56.33 2ron s LYS 13 Cb 0.00 0.23 0.07 0.00 -0.52 0.00 0.00 37.83 37.61 2ron s LYS 13 CO 0.00 -0.06 0.85 0.99 -0.92 0.00 0.00 175.35 176.21 2ron s THR 14 N 0.20 4.54 -0.62 2.17 2.01 -1.23 -0.09 115.64 122.61 2ron s THR 14 Ca -0.00 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 2ron s THR 14 Cb -0.03 -4.54 0.16 0.00 0.01 0.00 0.00 72.50 68.10 2ron s THR 14 CO 0.01 -1.19 0.52 -1.10 -0.69 0.00 0.00 174.62 172.16 2ron s GLN 15 N 3.51 2.93 -0.14 4.92 -0.21 -1.17 -1.80 119.66 127.70 2ron s GLN 15 Ca 0.21 -2.11 -0.19 0.00 0.02 0.00 0.00 55.36 53.29 2ron s GLN 15 Cb -0.18 -4.11 -0.04 0.00 1.00 0.00 0.00 33.01 29.69 2ron s GLN 15 CO 0.12 -1.24 0.51 -1.17 -2.12 0.00 0.00 175.29 171.38 2ron s LEU 16 N 0.77 4.23 0.33 2.90 0.20 0.10 -2.26 118.68 124.95 2ron s LEU 16 Ca 0.11 0.79 0.02 0.00 0.69 0.00 0.00 54.13 55.74 2ron s LEU 16 Cb -0.21 -2.72 -0.01 0.00 -0.43 0.00 0.00 46.19 42.82 2ron s LEU 16 CO -0.03 -0.07 0.38 0.27 -0.29 0.00 0.00 176.35 176.61 2ron s ILE 17 N 0.99 0.00 -0.30 6.68 -4.36 0.12 -0.91 121.20 123.42 2ron s ILE 17 Ca 0.26 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2ron s ILE 17 Cb -0.15 -2.58 0.19 0.00 1.25 0.00 0.00 42.46 41.17 2ron s ILE 17 CO 0.10 0.00 0.75 0.00 0.24 0.00 0.00 174.94 176.03 2ron n PHE 19 N 5.18 -1.99 -0.93 0.00 3.72 -1.26 -4.73 117.46 117.44 2ron n PHE 19 Ca 0.07 0.56 -0.24 0.00 -0.05 0.00 0.00 57.45 57.79 2ron n PHE 19 Cb 0.56 -3.64 0.20 0.00 -0.94 0.00 0.00 39.48 35.66 2ron n PHE 19 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ron n PRO 20 N -4.04 -2.69 -3.77 -1.08 -0.04 -1.26 -4.91 135.00 117.21 2ron n PRO 20 Ca -0.11 -1.38 -0.13 0.00 -0.04 0.00 0.00 63.50 61.84 2ron n PRO 20 Cb 0.61 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.65 2ron n PRO 20 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ron s PHE 21 N -2.56 -0.22 0.02 0.54 -0.12 -1.26 -5.08 117.98 109.30 2ron s PHE 21 Ca 0.56 0.55 -0.07 0.00 -0.05 0.00 0.00 56.93 57.92 2ron s PHE 21 Cb -0.05 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 2ron s PHE 21 CO 0.43 -0.15 1.11 0.00 -0.05 0.00 0.00 175.22 176.56 2ron h ALA 22 N 6.57 -0.64 -0.55 1.99 0.00 -1.98 -3.41 119.26 121.24 2ron h ALA 22 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ron h ALA 22 Cb 1.17 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2ron h ALA 22 CO 0.40 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2ron n GLY 23 N -1.10 2.74 0.00 0.00 0.00 -1.26 -2.32 105.19 103.26 2ron n GLY 23 Ca -0.02 0.33 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 0.26 -0.02 0.00 -1.26 -4.66 105.19 99.51 2ron n GLY 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.36 -0.23 1.61 -0.00 -1.90 -1.06 116.97 115.75 2ron h TYR 25 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 58.73 58.53 2ron h TYR 25 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 37.21 2ron h TYR 25 CO 0.00 0.39 -0.54 1.03 -0.00 0.00 0.00 178.16 179.04 2ron h SER 26 N 0.35 0.77 0.56 0.10 0.87 -1.70 0.36 113.55 114.86 2ron h SER 26 Ca 0.08 -0.41 -0.15 0.00 -1.23 0.00 0.00 61.79 60.08 2ron h SER 26 Cb 0.27 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2ron h SER 26 CO 0.01 1.16 -0.66 0.00 -0.53 0.00 0.00 176.83 176.81 2ron h ALA 27 N 0.86 0.86 0.18 6.23 0.00 -1.59 0.89 119.26 126.69 2ron h ALA 27 Ca 0.01 -0.59 -0.24 0.00 0.00 0.00 0.00 54.91 54.09 2ron h ALA 27 Cb 1.11 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.83 2ron h ALA 27 CO 0.11 0.80 -1.07 1.03 0.00 0.00 0.00 179.25 180.12 2ron h SER 28 N 0.06 0.61 1.08 0.00 0.87 -1.13 -3.32 113.55 111.73 2ron h SER 28 Ca -0.01 -0.94 -0.11 0.00 -1.23 0.00 0.00 61.79 59.50 2ron h SER 28 Cb 1.17 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2ron h SER 28 CO 0.09 1.52 -0.52 0.15 -0.53 0.00 0.00 176.83 177.54 2ron h PHE 29 N -0.18 0.00 -0.45 2.24 3.04 -0.96 -3.21 116.94 117.42 2ron h PHE 29 Ca -0.19 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.82 2ron h PHE 29 Cb 1.84 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 40.26 2ron h PHE 29 CO 0.17 0.52 -0.53 -0.09 -2.02 0.00 0.00 178.31 176.36 2ron h ARG 30 N 0.00 -0.34 -0.35 1.11 2.43 -0.91 0.24 114.38 116.55 2ron h ARG 30 Ca -0.01 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 2ron h ARG 30 Cb 1.20 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2ron h ARG 30 CO 0.07 -0.23 -0.40 -1.00 -1.51 0.00 0.00 179.97 176.90 2ron h PRO 31 N -0.36 0.86 -0.38 0.20 0.13 -1.72 0.13 132.00 130.86 2ron h PRO 31 Ca 0.10 -0.46 0.05 0.00 -0.87 0.00 0.00 66.00 64.82 2ron h PRO 31 Cb 0.59 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 2ron h PRO 31 CO -0.62 1.10 0.11 -0.07 -0.23 0.00 0.00 178.00 178.29 2ron h LEU 32 N 0.71 0.09 0.00 1.56 -0.00 -1.37 0.24 115.31 116.53 2ron h LEU 32 Ca 0.06 0.05 -0.13 0.00 -0.00 0.00 0.00 57.88 57.86 2ron h LEU 32 Cb 0.97 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.67 2ron h LEU 32 CO 0.09 0.09 -0.65 1.12 -0.00 0.00 0.00 178.44 179.09 2ron h HIS 33 N 0.25 0.00 -0.00 1.13 2.07 -0.56 -2.13 115.15 115.91 2ron h HIS 33 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 2ron h HIS 33 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.16 2ron h HIS 33 CO -0.17 0.59 -0.03 0.00 -3.07 0.00 0.00 177.93 175.25 2ron n ALA 34 N -2.26 2.62 0.01 6.11 0.00 0.03 0.11 120.51 127.13 2ron n ALA 34 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2ron n ALA 34 Cb 0.78 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 2ron n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ron n PHE 35 N -1.09 0.00 -0.14 0.00 7.35 0.77 -4.67 117.46 119.68 2ron n PHE 35 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2ron n PHE 35 Cb 0.23 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.05 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ron n LEU 36 N -1.18 0.54 -4.02 -2.13 7.94 -0.81 -5.07 117.00 112.28 2ron n LEU 36 Ca 0.00 -0.67 -0.09 0.00 -1.11 0.00 0.00 56.01 54.14 2ron n LEU 36 Cb 0.01 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 2ron n LEU 36 CO 0.01 0.14 -0.16 -1.10 -1.11 0.00 0.00 177.39 175.17 2ron s GLN 37 N -0.25 0.96 -0.25 1.96 -0.21 0.12 -5.00 119.66 116.98 2ron s GLN 37 Ca 0.00 -1.22 -0.26 0.00 0.02 0.00 0.00 55.36 53.90 2ron s GLN 37 Cb 0.00 0.31 0.13 0.00 1.00 0.00 0.00 33.01 34.44 2ron s GLN 37 CO 0.00 -0.31 1.04 0.20 -2.12 0.00 0.00 175.29 174.10 2ron s GLY 38 N -2.97 -0.16 -1.16 3.09 0.00 -1.26 -4.32 107.32 100.55 2ron s GLY 38 Ca 0.16 2.56 -0.13 0.00 0.00 0.00 0.00 44.72 47.31 2ron s GLY 38 CO -0.03 1.66 0.80 -2.21 0.00 0.00 0.00 173.10 173.32 2ron n GLU 39 N 1.86 -2.22 -3.51 2.90 4.07 -1.26 -4.91 120.64 117.58 2ron n GLU 39 Ca -0.12 0.58 -0.27 0.00 -0.06 0.00 0.00 57.16 57.30 2ron n GLU 39 Cb 0.56 -4.74 -0.03 0.00 -0.06 0.00 0.00 31.44 27.17 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ron s GLU 41 N -3.61 4.16 -0.30 0.00 2.12 0.87 -4.80 118.70 117.14 2ron s GLU 41 Ca 0.41 2.51 -0.11 0.00 0.36 0.00 0.00 54.97 58.13 2ron s GLU 41 Cb -0.11 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 2ron s GLU 41 CO 0.31 -0.58 0.20 0.00 -0.54 0.00 0.00 175.26 174.64 2ron s MET 42 N -0.47 3.69 -0.16 4.30 0.23 -0.04 -3.03 119.30 123.82 2ron s MET 42 Ca 0.62 -0.50 -0.03 0.00 -1.03 0.00 0.00 55.69 54.75 2ron s MET 42 Cb -0.46 -3.68 0.05 0.00 -1.53 0.00 0.00 34.83 29.21 2ron s MET 42 CO 0.47 -0.31 0.04 -1.17 -2.03 0.00 0.00 175.02 172.01 2ron s LEU 43 N 1.72 0.93 -0.19 0.18 2.96 -0.96 -0.96 118.68 122.36 2ron s LEU 43 Ca 0.06 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2ron s LEU 43 Cb -0.17 -0.51 0.06 0.00 0.50 0.00 0.00 46.19 46.07 2ron s LEU 43 CO 0.10 -0.29 0.00 0.00 -1.32 0.00 0.00 176.35 174.84 2ron s ALA 44 N 1.92 1.27 0.43 5.97 0.00 -0.62 0.15 121.76 130.88 2ron s ALA 44 Ca 0.01 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2ron s ALA 44 Cb -0.16 -1.21 -0.11 0.00 0.00 0.00 0.00 23.12 21.65 2ron s ALA 44 CO -0.07 -1.10 0.91 0.00 0.00 0.00 0.00 175.76 175.50 2ron n ALA 45 N 4.95 -0.17 -2.38 0.00 0.00 0.69 -1.47 120.51 122.13 2ron n ALA 45 Ca -0.10 0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 2ron n ALA 45 Cb 0.47 -2.02 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.98 1.43 0.79 0.00 2.02 -0.45 -4.47 118.70 116.03 2ron s GLU 46 Ca 0.64 -1.69 -0.11 0.00 0.02 0.00 0.00 54.97 53.84 2ron s GLU 46 Cb -0.56 -1.07 0.07 0.00 0.10 0.00 0.00 34.13 32.66 2ron s GLU 46 CO 0.56 0.08 1.09 -1.25 0.02 0.00 0.00 175.26 175.77 2ron s PRO 47 N -3.71 2.13 1.03 0.39 0.04 -1.26 -3.51 135.00 130.11 2ron s PRO 47 Ca 0.26 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 2ron s PRO 47 Cb 0.02 -1.88 0.26 0.00 0.04 0.00 0.00 34.50 32.93 2ron s PRO 47 CO 0.09 -1.72 0.91 -0.35 0.04 0.00 0.00 177.00 175.97 2ron n PRO 48 N -3.57 -2.81 0.12 0.56 -0.04 -1.26 -3.28 135.00 124.72 2ron n PRO 48 Ca 0.09 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2ron n PRO 48 Cb 0.53 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2ron n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ron n GLY 49 N -3.58 -0.50 0.01 0.55 0.00 -1.26 -4.85 105.19 95.55 2ron n GLY 49 Ca 0.13 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ron n GLY 49 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ron n HIS 50 N -3.17 0.00 -0.17 1.61 -0.00 -1.26 -5.06 115.22 107.17 2ron n HIS 50 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 2ron n HIS 50 Cb 0.00 -0.08 0.18 0.00 -0.00 0.00 0.00 29.99 30.09 2ron n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ron n GLY 51 N 2.77 -3.59 1.39 1.57 0.00 -1.26 -4.87 105.19 101.19 2ron n GLY 51 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2ron n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ron n THR 52 N -4.68 0.00 -1.50 2.61 -2.24 -1.26 -4.78 114.28 102.43 2ron n THR 52 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 2ron n THR 52 Cb 0.36 -0.60 0.10 0.00 -2.10 0.00 0.00 70.33 68.10 2ron n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ron n ASN 53 N -2.49 1.54 -4.85 3.42 2.85 -1.26 -5.04 115.26 109.44 2ron n ASN 53 Ca 0.00 -2.84 -0.21 0.00 -0.11 0.00 0.00 54.58 51.42 2ron n ASN 53 Cb 0.00 -0.37 -0.04 0.00 1.24 0.00 0.00 39.78 40.61 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ron s GLN 54 N -1.96 2.59 0.04 1.20 -2.07 -1.26 -5.06 119.66 113.13 2ron s GLN 54 Ca 0.25 -1.45 -0.28 0.00 -1.82 0.00 0.00 55.36 52.06 2ron s GLN 54 Cb 0.23 -2.39 0.09 0.00 -1.09 0.00 0.00 33.01 29.85 2ron s GLN 54 CO -0.01 -0.04 0.94 -0.08 -1.32 0.00 0.00 175.29 174.79 2ron s THR 55 N -2.40 0.00 0.61 3.63 -1.32 -1.26 -1.88 115.64 113.02 2ron s THR 55 Ca 0.44 -0.23 0.35 0.00 -1.21 0.00 0.00 61.69 61.04 2ron s THR 55 Cb -0.04 -1.37 0.39 0.00 -1.51 0.00 0.00 72.50 69.97 2ron s THR 55 CO 0.27 0.00 2.30 0.77 -2.21 0.00 0.00 174.62 175.74 2ron h SER 56 N 2.00 0.00 -4.64 8.08 4.64 -1.87 -3.45 113.55 118.30 2ron h SER 56 Ca -0.23 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.78 2ron h SER 56 Cb 1.23 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.43 2ron h SER 56 CO 0.29 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 175.72 2ron n ALA 57 N -2.23 -0.99 -3.60 5.18 0.00 -1.26 -3.28 120.51 114.32 2ron n ALA 57 Ca -0.03 0.31 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 2ron n ALA 57 Cb 0.08 -4.29 0.05 0.00 0.00 0.00 0.00 19.45 15.29 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 -4.44 -6.45 -1.24 0.00 2.08 -1.26 -4.91 119.36 103.14 2ron n ILE 58 Ca -0.00 -1.02 0.06 0.00 0.56 0.00 0.00 62.75 62.35 2ron n ILE 58 Cb 0.55 -4.73 0.19 0.00 -0.75 0.00 0.00 39.64 34.91 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 -4.00 1.81 -0.04 0.38 1.02 -1.21 -4.69 120.64 113.92 2ron n GLU 59 Ca -0.09 -2.91 -0.01 0.00 -0.02 0.00 0.00 57.16 54.13 2ron n GLU 59 Cb 0.59 -1.66 0.27 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.79 0.57 0.03 1.62 3.04 -1.91 -1.87 116.42 118.70 2ron h ASP 60 Ca 0.04 -0.11 -0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2ron h ASP 60 Cb 1.22 -0.15 -0.00 0.00 -1.04 0.00 0.00 39.33 39.36 2ron h ASP 60 CO 0.12 0.62 -0.05 0.25 -2.04 0.00 0.00 179.24 178.15 2ron h LEU 61 N 0.59 -0.14 -2.39 0.15 5.85 -1.99 0.24 115.31 117.61 2ron h LEU 61 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2ron h LEU 61 Cb 0.32 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2ron h LEU 61 CO 0.01 -0.06 0.02 -0.08 -0.34 0.00 0.00 178.44 177.99 2ron h GLU 62 N -0.08 0.00 0.50 1.25 4.57 -1.93 0.23 114.58 119.12 2ron h GLU 62 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2ron h GLU 62 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2ron h GLU 62 CO -0.02 0.00 -0.24 1.49 -1.18 0.00 0.00 179.01 179.06 2ron h GLU 63 N 0.00 -0.65 -0.34 1.92 4.57 -0.68 -2.13 114.58 117.27 2ron h GLU 63 Ca 0.01 0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2ron h GLU 63 Cb 0.04 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2ron h GLU 63 CO -0.00 -0.43 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.23 2ron h LEU 64 N -0.90 0.68 -0.66 1.64 -0.00 -0.38 0.27 115.31 115.96 2ron h LEU 64 Ca -0.07 -0.37 0.13 0.00 -0.00 0.00 0.00 57.88 57.57 2ron h LEU 64 Cb 0.52 -0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 40.90 2ron h LEU 64 CO 0.11 0.90 0.17 0.74 -0.00 0.00 0.00 178.44 180.36 2ron h THR 65 N 0.45 0.62 0.17 0.22 2.02 -0.65 0.10 112.91 115.84 2ron h THR 65 Ca 0.08 -0.10 -0.31 0.00 0.77 0.00 0.00 66.41 66.86 2ron h THR 65 Cb 0.61 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2ron h THR 65 CO 0.04 0.05 -1.43 -0.78 0.37 0.00 0.00 175.52 173.78 2ron h ASP 66 N 0.29 0.56 0.22 4.18 3.58 -1.32 0.25 116.42 124.19 2ron h ASP 66 Ca 0.35 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2ron h ASP 66 Cb 0.54 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2ron h ASP 66 CO -0.43 1.52 0.00 -0.07 -2.88 0.00 0.00 179.24 177.38 2ron h LEU 67 N 0.10 0.00 0.00 2.28 3.38 0.29 0.36 115.31 121.72 2ron h LEU 67 Ca -0.21 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2ron h LEU 67 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 2ron h LEU 67 CO 0.21 0.00 -1.46 -1.22 0.09 0.00 0.00 178.44 176.06 2ron n TYR 68 N -2.56 0.00 -0.56 1.13 4.02 0.28 -4.62 117.16 114.85 2ron n TYR 68 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 2ron n TYR 68 Cb 0.10 -0.31 0.24 0.00 -0.02 0.00 0.00 39.34 39.36 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ron n LYS 69 N -2.84 3.17 -0.23 -0.72 4.76 0.89 -4.50 118.16 118.69 2ron n LYS 69 Ca -0.15 -2.38 0.28 0.00 -2.87 0.00 0.00 58.31 53.19 2ron n LYS 69 Cb 0.65 -2.02 0.67 0.00 -1.84 0.00 0.00 35.03 32.49 2ron n LYS 69 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 2ron h GLN 70 N 2.13 0.10 0.10 1.97 3.07 -0.46 -2.68 115.11 119.34 2ron h GLN 70 Ca 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.93 2ron h GLN 70 Cb 1.97 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 29.51 2ron h GLN 70 CO 0.57 0.07 -0.05 1.49 0.09 0.00 0.00 178.83 181.01 2ron h GLU 71 N 0.11 -0.13 -4.69 0.06 4.57 -1.84 -3.43 114.58 109.22 2ron h GLU 71 Ca 0.47 0.01 -0.69 0.00 -1.18 0.00 0.00 59.36 57.97 2ron h GLU 71 Cb 1.69 0.03 -0.28 0.00 -0.16 0.00 0.00 28.75 30.04 2ron h GLU 71 CO -0.06 -0.08 -0.60 -0.51 -1.18 0.00 0.00 179.01 176.57 2ron s LEU 72 N -5.44 4.26 0.15 1.64 1.43 -1.01 -5.07 118.68 114.65 2ron s LEU 72 Ca -0.02 -1.03 -0.34 0.00 -1.03 0.00 0.00 54.13 51.71 2ron s LEU 72 Cb 0.00 -1.89 -0.15 0.00 0.03 0.00 0.00 46.19 44.18 2ron s LEU 72 CO 0.06 -0.30 1.39 -0.46 0.23 0.00 0.00 176.35 177.27 2ron n ASN 73 N 4.85 2.23 -3.82 2.29 0.23 -1.23 -4.75 115.26 115.06 2ron n ASN 73 Ca -0.13 1.12 -0.23 0.00 -0.53 0.00 0.00 54.58 54.81 2ron n ASN 73 Cb 0.46 -1.31 -0.08 0.00 -2.08 0.00 0.00 39.78 36.76 2ron n ASN 73 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2ron s LEU 74 N 0.58 1.86 0.26 -4.53 1.43 -1.26 -5.13 118.68 111.89 2ron s LEU 74 Ca 0.78 -1.70 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2ron s LEU 74 Cb -0.80 0.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 2ron s LEU 74 CO 0.45 -0.98 0.27 -0.13 0.23 0.00 0.00 176.35 176.19 2ron s ARG 75 N -3.62 3.06 0.00 1.70 0.52 -1.26 -5.02 118.95 114.33 2ron s ARG 75 Ca 0.31 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 2ron s ARG 75 Cb 0.03 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.83 2ron s ARG 75 CO 0.20 0.35 0.00 -0.35 0.02 0.00 0.00 175.30 175.52 2ron n PRO 76 N -1.30 -0.37 -3.36 3.54 -0.04 -1.26 -5.03 135.00 127.19 2ron n PRO 76 Ca -0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 2ron n PRO 76 Cb 0.58 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 6.70 -0.02 3.54 1.11 -1.26 -5.03 116.67 120.20 2ron s ASP 77 Ca 0.00 1.02 -0.20 0.00 0.18 0.00 0.00 52.55 53.55 2ron s ASP 77 Cb 0.00 -2.27 -0.11 0.00 1.07 0.00 0.00 42.92 41.61 2ron s ASP 77 CO 0.00 -0.05 0.83 0.03 1.18 0.00 0.00 175.17 177.16 2ron h ARG 78 N 2.74 -0.69 -7.23 8.23 3.08 -1.91 -3.46 114.38 115.14 2ron h ARG 78 Ca -0.47 0.05 -0.51 0.00 0.07 0.00 0.00 59.98 59.11 2ron h ARG 78 Cb 1.18 0.16 0.11 0.00 0.08 0.00 0.00 29.97 31.49 2ron h ARG 78 CO 0.68 -0.46 0.36 -1.25 -1.07 0.00 0.00 179.97 178.23 2ron s PRO 79 N -3.90 2.67 -0.29 0.04 0.04 -1.26 -4.39 135.00 127.91 2ron s PRO 79 Ca -0.11 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 2ron s PRO 79 Cb 0.01 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.74 2ron s PRO 79 CO 0.32 -1.34 0.90 0.12 0.04 0.00 0.00 177.00 177.03 2ron s PHE 80 N -2.47 -0.71 -0.08 0.56 2.19 -0.40 -3.53 117.98 113.54 2ron s PHE 80 Ca 0.66 1.41 0.01 0.00 0.33 0.00 0.00 56.93 59.34 2ron s PHE 80 Cb -0.20 0.42 0.02 0.00 -1.31 0.00 0.00 43.02 41.96 2ron s PHE 80 CO 0.45 -0.35 -0.09 0.14 1.83 0.00 0.00 175.22 177.20 2ron s VAL 81 N 1.45 0.98 -0.19 3.12 -7.23 -0.74 -3.73 120.40 114.05 2ron s VAL 81 Ca -0.09 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 2ron s VAL 81 Cb -0.04 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 2ron s VAL 81 CO -0.16 0.34 0.01 -0.22 -0.31 0.00 0.00 175.10 174.75 2ron s LEU 82 N 1.10 3.34 -0.28 1.32 0.20 -1.23 -0.72 118.68 122.41 2ron s LEU 82 Ca -0.07 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.63 2ron s LEU 82 Cb -0.14 -1.84 0.07 0.00 -0.43 0.00 0.00 46.19 43.85 2ron s LEU 82 CO -0.01 0.09 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.72 2ron s PHE 83 N 0.85 3.21 0.00 5.38 0.08 -0.08 -4.24 117.98 123.17 2ron s PHE 83 Ca 0.01 -2.39 0.00 0.00 0.12 0.00 0.00 56.93 54.67 2ron s PHE 83 Cb -0.14 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2ron s PHE 83 CO 0.02 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 2ron n GLY 84 N 4.44 4.86 3.33 4.36 0.00 -1.26 -2.45 105.19 118.46 2ron n GLY 84 Ca -0.09 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 43.86 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 1.96 1.57 0.66 1.61 -3.43 -1.26 -4.87 115.29 111.53 2ron s HIS 85 Ca 0.00 -0.96 0.41 0.00 -0.80 0.00 0.00 55.06 53.72 2ron s HIS 85 Cb 0.00 -0.92 2.27 0.00 -1.43 0.00 0.00 32.58 32.50 2ron s HIS 85 CO 0.00 -0.08 2.29 0.66 -2.00 0.00 0.00 174.74 175.62 2ron h SER 86 N 2.45 0.00 0.02 7.38 4.64 -1.99 -3.08 113.55 122.97 2ron h SER 86 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2ron h SER 86 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2ron h SER 86 CO 0.64 0.00 -0.05 0.24 -0.87 0.00 0.00 176.83 176.80 2ron h MET 87 N 0.00 -0.07 0.00 4.77 2.86 -2.00 -3.49 114.93 117.00 2ron h MET 87 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ron h MET 87 Cb 0.12 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.79 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 -1.05 -1.66 0.00 8.32 0.00 -1.16 -5.10 105.19 104.54 2ron n GLY 88 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.20 -1.28 0.21 -0.02 0.00 -1.26 -4.60 105.19 98.04 2ron n GLY 89 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 0.65 -0.51 1.61 -0.00 -1.98 -2.42 114.93 112.29 2ron h MET 90 Ca 0.00 -0.19 -0.12 0.00 -0.00 0.00 0.00 59.70 59.39 2ron h MET 90 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 2ron h MET 90 CO 0.00 0.73 -0.16 0.82 -0.00 0.00 0.00 176.91 178.30 2ron h ILE 91 N 0.49 1.27 0.43 -0.10 2.04 -1.97 -0.81 117.51 118.85 2ron h ILE 91 Ca 0.11 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2ron h ILE 91 Cb 0.41 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2ron h ILE 91 CO 0.01 0.46 -0.28 0.71 0.00 0.00 0.00 178.15 179.05 2ron h THR 92 N 0.87 0.00 -0.63 -0.27 1.35 -1.94 -2.44 112.91 109.85 2ron h THR 92 Ca 0.12 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.01 2ron h THR 92 Cb 0.73 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 2ron h THR 92 CO 0.06 0.00 0.42 0.15 -0.25 0.00 0.00 175.52 175.90 2ron h PHE 93 N -0.66 0.75 0.00 4.73 3.04 -1.51 -1.73 116.94 121.56 2ron h PHE 93 Ca -0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2ron h PHE 93 Cb 0.54 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2ron h PHE 93 CO -0.03 0.45 0.00 -2.13 -2.02 0.00 0.00 178.31 174.58 2ron n ARG 94 N -4.45 0.00 0.11 1.11 0.63 -0.31 -0.10 116.66 113.64 2ron n ARG 94 Ca 0.07 0.47 0.18 0.00 -0.92 0.00 0.00 57.85 57.65 2ron n ARG 94 Cb 0.10 -1.23 0.74 0.00 0.45 0.00 0.00 32.46 32.52 2ron n ARG 94 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2ron h LEU 95 N 0.00 0.00 0.00 6.15 -0.00 -1.45 0.32 115.31 120.33 2ron h LEU 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2ron h LEU 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2ron h LEU 95 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2ron n ALA 96 N -2.48 -0.10 -0.15 1.53 0.00 -0.65 -1.06 120.51 117.60 2ron n ALA 96 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.68 2ron n ALA 96 Cb 0.46 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.48 2ron n ALA 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2ron h GLN 97 N 0.00 0.26 0.76 0.00 3.07 -0.46 -1.38 115.11 117.36 2ron h GLN 97 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 2ron h GLN 97 Cb 0.00 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 27.51 2ron h GLN 97 CO 0.00 0.17 -0.36 -0.22 0.09 0.00 0.00 178.83 178.51 2ron h LYS 98 N 0.27 -0.98 -0.48 0.06 1.63 -0.98 0.27 116.57 116.36 2ron h LYS 98 Ca 0.38 0.07 0.12 0.00 -0.85 0.00 0.00 60.65 60.37 2ron h LYS 98 Cb 1.08 0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2ron h LYS 98 CO -0.09 -0.65 0.34 1.25 -3.45 0.00 0.00 179.45 176.84 2ron h LEU 99 N -1.11 0.08 0.13 5.20 5.85 -0.61 0.25 115.31 125.10 2ron h LEU 99 Ca -0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2ron h LEU 99 Cb 0.78 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2ron h LEU 99 CO 0.17 0.05 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.18 2ron h GLU 100 N 0.09 -0.17 -0.72 1.25 4.22 -1.06 0.23 114.58 118.43 2ron h GLU 100 Ca 0.23 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.85 2ron h GLU 100 Cb 0.79 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2ron h GLU 100 CO -0.02 -0.11 0.49 0.07 -2.18 0.00 0.00 179.01 177.26 2ron h ARG 101 N -0.43 0.25 0.00 1.92 0.11 -0.31 0.34 114.38 116.25 2ron h ARG 101 Ca -0.02 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.00 2ron h ARG 101 Cb 0.13 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 2ron h ARG 101 CO 0.03 0.16 -0.62 1.05 0.10 0.00 0.00 179.97 180.69 2ron h GLU 102 N 0.25 0.00 0.00 0.08 -0.00 -0.59 -3.37 114.58 110.95 2ron h GLU 102 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.70 2ron h GLU 102 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.77 2ron h GLU 102 CO -0.08 0.14 -0.16 0.78 -0.00 0.00 0.00 179.01 179.69 2ron h GLY 103 N 3.86 0.00 -6.72 1.06 0.00 0.30 -3.47 103.07 98.10 2ron h GLY 103 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 2ron h GLY 103 CO 0.02 0.00 -0.61 -0.42 0.00 0.00 0.00 176.54 175.53 2ron s ILE 104 N -1.82 -0.37 0.09 2.60 1.09 0.33 -5.03 121.20 118.09 2ron s ILE 104 Ca -0.07 -0.13 -0.29 0.00 -1.10 0.00 0.00 60.65 59.06 2ron s ILE 104 Cb 0.00 -0.71 -0.13 0.00 -1.06 0.00 0.00 42.46 40.56 2ron s ILE 104 CO 0.17 -0.21 1.64 0.15 -0.10 0.00 0.00 174.94 176.60 2ron h PHE 105 N 8.29 -0.70 -0.55 3.97 3.04 -1.77 -3.35 116.94 125.87 2ron h PHE 105 Ca -0.17 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.46 2ron h PHE 105 Cb 1.15 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 39.88 2ron h PHE 105 CO 0.14 -0.39 0.96 -1.25 -2.02 0.00 0.00 178.31 175.75 2ron s PRO 106 N -6.07 2.51 0.71 6.41 0.04 -1.26 -4.93 135.00 132.41 2ron s PRO 106 Ca -0.16 -0.89 0.02 0.00 0.04 0.00 0.00 61.00 60.01 2ron s PRO 106 Cb 0.06 -5.19 0.13 0.00 0.04 0.00 0.00 34.50 29.54 2ron s PRO 106 CO 0.64 -3.80 0.97 -0.65 0.04 0.00 0.00 177.00 174.20 2ron s GLN 107 N 6.64 1.72 -0.01 4.56 -0.21 -1.26 -4.89 119.66 126.21 2ron s GLN 107 Ca 0.69 -1.31 -0.06 0.00 0.02 0.00 0.00 55.36 54.70 2ron s GLN 107 Cb -0.03 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 2ron s GLN 107 CO 0.09 -1.40 -0.12 0.00 -2.12 0.00 0.00 175.29 171.74 2ron n ALA 108 N -2.75 2.12 -2.36 6.09 0.00 -1.26 -4.92 120.51 117.44 2ron n ALA 108 Ca 0.16 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 2ron n ALA 108 Cb 0.61 0.14 -0.15 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.18 2.31 -0.14 0.00 -7.23 -1.26 -2.01 120.40 109.88 2ron s VAL 109 Ca -0.10 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.00 2ron s VAL 109 Cb 0.01 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.19 2ron s VAL 109 CO 0.15 0.58 0.31 -0.63 -0.31 0.00 0.00 175.10 175.20 2ron s ILE 110 N -0.64 -0.29 -0.05 -0.62 1.01 -0.82 -1.28 121.20 118.52 2ron s ILE 110 Ca 0.10 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.01 2ron s ILE 110 Cb -0.10 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 2ron s ILE 110 CO -0.01 0.08 -0.24 -0.51 0.00 0.00 0.00 174.94 174.26 2ron s ILE 111 N 1.97 1.97 -0.17 2.92 -1.16 -1.24 -2.95 121.20 122.54 2ron s ILE 111 Ca -0.04 -1.02 0.01 0.00 -0.51 0.00 0.00 60.65 59.09 2ron s ILE 111 Cb -0.11 -1.66 0.02 0.00 0.61 0.00 0.00 42.46 41.31 2ron s ILE 111 CO -0.10 0.55 -0.19 -0.44 -2.81 0.00 0.00 174.94 171.95 2ron s SER 112 N -0.17 3.04 0.43 4.50 0.01 -1.06 -3.50 113.70 116.95 2ron s SER 112 Ca -0.03 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.66 2ron s SER 112 Cb -0.13 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 2ron s SER 112 CO 0.03 0.01 0.03 0.00 0.41 0.00 0.00 173.24 173.72 2ron s ALA 113 N 1.23 3.33 -0.82 1.44 0.00 -1.26 -2.89 121.76 122.78 2ron s ALA 113 Ca 0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 2ron s ALA 113 Cb -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2ron s ALA 113 CO -0.11 -0.14 0.71 -0.89 0.00 0.00 0.00 175.76 175.33 2ron n ILE 114 N -1.02 -6.62 -2.85 0.00 5.41 -1.22 -4.81 119.36 108.26 2ron n ILE 114 Ca -0.10 -0.88 -0.43 0.00 1.00 0.00 0.00 62.75 62.35 2ron n ILE 114 Cb 0.67 -5.39 -0.04 0.00 -0.71 0.00 0.00 39.64 34.16 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 -4.27 3.66 0.63 0.38 1.11 -1.26 -4.67 119.66 115.24 2ron s GLN 115 Ca 0.27 0.30 -0.16 0.00 0.01 0.00 0.00 55.36 55.78 2ron s GLN 115 Cb -0.04 -3.87 -0.02 0.00 -1.01 0.00 0.00 33.01 28.08 2ron s GLN 115 CO 0.56 -1.06 1.12 -1.25 0.01 0.00 0.00 175.29 174.66 2ron s PRO 116 N 3.51 2.94 -0.92 2.91 0.04 -1.26 -2.45 135.00 139.77 2ron s PRO 116 Ca 0.36 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 2ron s PRO 116 Cb -0.11 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 2ron s PRO 116 CO 0.22 -1.15 1.92 -0.35 0.04 0.00 0.00 177.00 177.68 2ron n PRO 117 N -2.13 1.48 -3.64 0.56 -0.04 -1.26 -4.69 135.00 125.29 2ron n PRO 117 Ca 0.11 -2.08 -0.07 0.00 -0.04 0.00 0.00 63.50 61.41 2ron n PRO 117 Cb 0.52 -3.26 -0.07 0.00 -0.04 0.00 0.00 33.50 30.65 2ron n PRO 117 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2ron s HIS 118 N 7.73 -0.35 -0.02 0.54 -3.43 -1.26 -3.90 115.29 114.60 2ron s HIS 118 Ca 0.63 0.83 -0.08 0.00 -0.80 0.00 0.00 55.06 55.64 2ron s HIS 118 Cb 0.08 0.40 0.01 0.00 -1.43 0.00 0.00 32.58 31.64 2ron s HIS 118 CO 0.14 -0.18 0.17 0.96 -2.00 0.00 0.00 174.74 173.83 2ron s ILE 119 N 0.08 0.06 0.25 -5.38 -0.00 -1.26 -4.45 121.20 110.49 2ron s ILE 119 Ca 0.04 -0.50 -0.31 0.00 -0.00 0.00 0.00 60.65 59.89 2ron s ILE 119 Cb -0.05 -0.41 -0.11 0.00 -0.00 0.00 0.00 42.46 41.89 2ron s ILE 119 CO -0.08 -0.27 1.64 -1.58 -0.00 0.00 0.00 174.94 174.65 2ron s GLN 120 N -1.00 4.13 -0.59 0.37 2.00 -1.26 -4.50 119.66 118.81 2ron s GLN 120 Ca -0.11 2.57 -0.30 0.00 -2.00 0.00 0.00 55.36 55.52 2ron s GLN 120 Cb -0.06 -3.06 -0.13 0.00 0.80 0.00 0.00 33.01 30.57 2ron s GLN 120 CO 0.01 -0.68 2.42 -2.13 -0.50 0.00 0.00 175.29 174.42 2ron n ARG 121 N 3.06 0.76 -4.38 1.67 0.63 -1.26 -4.91 116.66 112.23 2ron n ARG 121 Ca 0.12 0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.95 2ron n ARG 121 Cb 0.37 -2.57 -0.10 0.00 0.45 0.00 0.00 32.46 30.61 2ron n ARG 121 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2ron s LYS 122 N 7.80 1.43 -0.10 -0.14 2.47 -1.26 -5.06 119.74 124.87 2ron s LYS 122 Ca 1.13 -1.67 -0.00 0.00 -1.56 0.00 0.00 55.97 53.87 2ron s LYS 122 Cb -0.71 -1.18 -0.02 0.00 -1.46 0.00 0.00 37.83 34.46 2ron s LYS 122 CO 0.40 0.14 -0.09 -1.59 0.16 0.00 0.00 175.35 174.38 2ron s LYS 123 N -3.66 3.09 0.36 4.03 -2.85 -1.26 -4.56 119.74 114.88 2ron s LYS 123 Ca 0.25 -0.60 -0.07 0.00 -1.00 0.00 0.00 55.97 54.55 2ron s LYS 123 Cb 0.00 -2.65 0.02 0.00 -2.06 0.00 0.00 37.83 33.15 2ron s LYS 123 CO 0.09 0.45 0.60 0.14 0.10 0.00 0.00 175.35 176.73 2ron s VAL 124 N -0.23 0.00 -0.23 1.79 -7.23 -1.26 -5.05 120.40 108.18 2ron s VAL 124 Ca 0.02 -1.37 0.13 0.00 -1.81 0.00 0.00 61.98 58.95 2ron s VAL 124 Cb -0.13 -2.74 0.50 0.00 0.56 0.00 0.00 36.38 34.57 2ron s VAL 124 CO 0.03 0.00 1.42 -0.24 -0.31 0.00 0.00 175.10 176.00 2ron n SER 125 N -1.43 3.01 0.06 4.85 2.88 -1.26 -4.58 113.62 117.16 2ron n SER 125 Ca -0.03 -3.42 -0.19 0.00 -1.33 0.00 0.00 58.87 53.90 2ron n SER 125 Cb 0.61 -0.58 -0.14 0.00 -0.75 0.00 0.00 64.21 63.34 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2ron h HIS 126 N 1.23 0.56 -1.50 0.66 6.17 -1.97 -3.48 115.15 116.82 2ron h HIS 126 Ca 0.12 -0.41 0.09 0.00 0.71 0.00 0.00 60.37 60.89 2ron h HIS 126 Cb 1.52 -0.02 -0.28 0.00 2.52 0.00 0.00 27.41 31.16 2ron h HIS 126 CO 0.74 1.51 0.51 -1.17 0.71 0.00 0.00 177.93 180.22 2ron s LEU 127 N -7.09 -0.40 0.00 0.26 2.96 -1.26 -5.02 118.68 108.13 2ron s LEU 127 Ca -0.12 0.73 0.14 0.00 -0.22 0.00 0.00 54.13 54.66 2ron s LEU 127 Cb 0.06 1.72 0.65 0.00 0.50 0.00 0.00 46.19 49.12 2ron s LEU 127 CO 0.85 -0.12 1.44 -0.81 -1.32 0.00 0.00 176.35 176.39 2ron n PRO 128 N 2.48 0.06 -0.00 0.98 -0.04 -1.26 -2.10 135.00 135.12 2ron n PRO 128 Ca -0.14 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2ron n PRO 128 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.44 0.23 -0.23 3.54 9.92 -1.26 -4.39 116.55 122.92 2ron n ASP 129 Ca 0.04 -0.14 0.03 0.00 -0.53 0.00 0.00 54.79 54.19 2ron n ASP 129 Cb 0.15 1.70 0.15 0.00 -0.64 0.00 0.00 41.12 42.49 2ron n ASP 129 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2ron h ASP 130 N 0.00 0.17 -0.70 -2.24 3.32 -1.82 -0.54 116.42 114.61 2ron h ASP 130 Ca 0.00 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2ron h ASP 130 Cb 0.91 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2ron h ASP 130 CO 0.00 0.07 0.31 0.06 -1.72 0.00 0.00 179.24 177.96 2ron h GLN 131 N 0.37 1.03 0.16 3.56 3.07 -1.77 0.26 115.11 121.79 2ron h GLN 131 Ca 0.37 -0.17 0.01 0.00 0.09 0.00 0.00 58.65 58.95 2ron h GLN 131 Cb 0.56 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 2ron h GLN 131 CO -0.40 0.83 -0.20 0.74 0.09 0.00 0.00 178.83 179.89 2ron h PHE 132 N 0.99 -0.52 0.00 0.06 -1.00 -1.36 -1.90 116.94 113.21 2ron h PHE 132 Ca 0.24 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.01 2ron h PHE 132 Cb 0.16 0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 2ron h PHE 132 CO 0.01 -0.29 -0.08 1.37 -1.61 0.00 0.00 178.31 177.71 2ron h LEU 133 N -0.40 0.00 -0.56 1.54 8.10 -1.21 -1.92 115.31 120.86 2ron h LEU 133 Ca 0.01 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.94 2ron h LEU 133 Cb 0.40 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2ron h LEU 133 CO -0.07 0.08 0.10 0.44 -4.11 0.00 0.00 178.44 174.88 2ron h ASP 134 N 0.00 0.88 0.74 0.17 5.19 0.26 -1.38 116.42 122.28 2ron h ASP 134 Ca -0.00 -0.26 -0.24 0.00 -0.62 0.00 0.00 57.03 55.92 2ron h ASP 134 Cb 0.71 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 2ron h ASP 134 CO 0.01 0.91 -1.38 1.12 -3.12 0.00 0.00 179.24 176.78 2ron h HIS 135 N 0.81 0.00 0.00 4.55 2.07 -1.31 -3.32 115.15 117.94 2ron h HIS 135 Ca 0.17 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.62 2ron h HIS 135 Cb 0.40 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.37 2ron h HIS 135 CO 0.03 0.90 -0.33 0.97 -3.07 0.00 0.00 177.93 176.42 2ron h ILE 136 N 0.00 0.97 -6.94 6.12 6.09 -1.27 -3.47 117.51 119.01 2ron h ILE 136 Ca -0.17 -1.26 -0.57 0.00 -1.37 0.00 0.00 64.86 61.50 2ron h ILE 136 Cb 1.83 1.73 -0.15 0.00 0.47 0.00 0.00 36.82 40.71 2ron h ILE 136 CO 0.09 0.32 -0.90 2.30 -3.07 0.00 0.00 178.15 176.89 2ron n ILE 137 N -3.76 -1.31 0.00 2.19 -5.35 -0.53 -4.83 119.36 105.78 2ron n ILE 137 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2ron n ILE 137 Cb 0.42 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.11 2ron n ILE 137 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ron n GLN 138 N -4.42 0.00 -3.39 6.28 6.02 -1.25 -4.46 117.38 116.15 2ron n GLN 138 Ca -0.25 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.55 2ron n GLN 138 Cb 0.61 -0.01 0.06 0.00 1.02 0.00 0.00 30.24 31.92 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ron n LEU 139 N -2.32 -4.70 0.00 1.08 7.99 -1.26 -3.43 117.00 114.37 2ron n LEU 139 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 56.01 55.23 2ron n LEU 139 Cb 0.00 -2.99 0.00 0.00 -0.11 0.00 0.00 43.42 40.32 2ron n LEU 139 CO 0.00 0.23 0.00 0.61 -1.51 0.00 0.00 177.39 176.72 2ron n GLY 140 N -1.34 0.64 0.00 -0.72 0.00 -1.26 -4.85 105.19 97.66 2ron n GLY 140 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.18 0.90 2.65 -0.02 0.00 -1.22 -5.09 105.19 101.22 2ron n GLY 141 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.03 0.98 -0.47 1.61 0.00 -1.22 -5.03 119.30 115.15 2ron s MET 142 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 55.69 53.75 2ron s MET 142 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 34.83 32.83 2ron s MET 142 CO 0.00 -1.15 1.77 -1.25 0.00 0.00 0.00 175.02 174.40 2ron s PRO 143 N 0.76 3.06 -0.30 4.11 0.04 -1.26 -4.57 135.00 136.84 2ron s PRO 143 Ca 0.16 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 2ron s PRO 143 Cb -0.23 -4.26 0.16 0.00 0.04 0.00 0.00 34.50 30.22 2ron s PRO 143 CO -0.04 -2.20 0.94 0.00 0.04 0.00 0.00 177.00 175.74 2ron s ALA 144 N 7.65 -2.69 0.00 8.56 0.00 -1.26 -5.04 121.76 128.98 2ron s ALA 144 Ca 0.72 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.68 2ron s ALA 144 Cb -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2ron s ALA 144 CO 0.28 -1.03 0.00 0.39 0.00 0.00 0.00 175.76 175.40 2ron n GLU 145 N 5.11 2.83 -0.44 0.00 1.02 -1.26 -4.76 120.64 123.14 2ron n GLU 145 Ca -0.09 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.13 2ron n GLU 145 Cb 0.52 -0.70 0.26 0.00 -0.02 0.00 0.00 31.44 31.50 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 -0.79 3.95 0.00 -4.62 -0.00 -1.26 -4.32 117.00 109.96 2ron n LEU 146 Ca 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 56.01 53.40 2ron n LEU 146 Cb 0.08 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 2ron n LEU 146 CO 0.00 0.72 -0.06 1.33 -0.00 0.00 0.00 177.39 179.38 2ron n VAL 147 N 0.20 0.00 -0.17 1.47 0.24 -1.26 -4.68 118.33 114.13 2ron n VAL 147 Ca 0.20 -0.42 0.23 0.00 -2.04 0.00 0.00 64.34 62.31 2ron n VAL 147 Cb 0.79 0.94 0.63 0.00 -1.47 0.00 0.00 33.84 34.73 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 0.16 0.00 7.34 -0.00 -1.86 0.23 114.58 120.46 2ron h GLU 148 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2ron h GLU 148 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.71 2ron h GLU 148 CO 0.00 0.11 0.00 -1.71 -0.00 0.00 0.00 179.01 177.41 2ron n ASN 149 N -4.39 0.00 0.00 3.06 5.15 -1.26 -2.86 115.26 114.96 2ron n ASN 149 Ca 0.17 0.78 0.21 0.00 -0.60 0.00 0.00 54.58 55.14 2ron n ASN 149 Cb 0.77 -0.45 0.71 0.00 -0.53 0.00 0.00 39.78 40.28 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2ron h LYS 150 N 0.00 0.00 0.27 1.20 2.10 -1.83 -2.02 116.57 116.30 2ron h LYS 150 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2ron h LYS 150 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 2ron h LYS 150 CO 0.00 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 178.02 2ron h GLU 151 N 0.00 -0.67 0.00 0.07 5.08 -0.56 0.30 114.58 118.80 2ron h GLU 151 Ca 0.26 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2ron h GLU 151 Cb 1.09 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2ron h GLU 151 CO -0.00 -0.45 0.00 -0.24 -1.00 0.00 0.00 179.01 177.32 2ron h VAL 152 N -0.70 0.00 0.00 3.13 3.04 -1.23 0.67 116.25 121.17 2ron h VAL 152 Ca -0.01 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2ron h VAL 152 Cb 0.66 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2ron h VAL 152 CO -0.12 0.00 -0.50 0.24 -1.01 0.00 0.00 177.57 176.18 2ron h MET 153 N 0.00 0.00 0.00 4.17 2.86 -0.81 -3.37 114.93 117.78 2ron h MET 153 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ron h MET 153 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2ron h MET 153 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 2ron n SER 154 N -2.32 0.00 -0.46 1.22 3.41 0.94 -4.40 113.62 112.02 2ron n SER 154 Ca 0.03 0.00 0.38 0.00 -0.26 0.00 0.00 58.87 59.02 2ron n SER 154 Cb 0.46 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.10 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 0.34 -4.73 7.33 0.04 0.07 -3.42 116.94 116.57 2ron h PHE 155 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2ron h PHE 155 Cb 0.00 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.08 2ron h PHE 155 CO 0.00 -0.09 -0.09 0.34 -0.60 0.00 0.00 178.31 177.88 2ron n PHE 156 N -4.43 -2.12 -1.07 -0.55 -0.00 0.41 -4.42 117.46 105.28 2ron n PHE 156 Ca 0.35 0.80 -0.35 0.00 -0.00 0.00 0.00 57.45 58.24 2ron n PHE 156 Cb 1.43 -3.44 0.08 0.00 -0.00 0.00 0.00 39.48 37.56 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2ron n LEU 157 N -1.72 -0.13 -2.82 -2.13 -0.00 -1.26 -4.65 117.00 104.29 2ron n LEU 157 Ca -0.01 0.47 -0.14 0.00 -0.00 0.00 0.00 56.01 56.33 2ron n LEU 157 Cb 0.51 -1.17 -0.04 0.00 -0.00 0.00 0.00 43.42 42.72 2ron n LEU 157 CO 0.39 -3.55 1.76 -0.81 -0.00 0.00 0.00 177.39 175.19 2ron n PRO 158 N -0.82 1.50 -3.22 1.47 -0.04 -1.26 -4.47 135.00 128.16 2ron n PRO 158 Ca 0.08 -1.02 -0.01 0.00 -0.04 0.00 0.00 63.50 62.51 2ron n PRO 158 Cb 0.52 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 2ron n PRO 158 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ron s SER 159 N 3.21 -1.28 0.54 3.54 0.01 -1.26 -4.96 113.70 113.50 2ron s SER 159 Ca 0.34 -0.85 0.31 0.00 1.31 0.00 0.00 55.95 57.06 2ron s SER 159 Cb 0.11 1.83 1.47 0.00 0.21 0.00 0.00 66.02 69.64 2ron s SER 159 CO -0.02 -0.18 2.04 -0.26 0.41 0.00 0.00 173.24 175.24 2ron h PHE 160 N 7.02 0.00 0.00 2.43 -1.00 -1.97 -2.52 116.94 120.90 2ron h PHE 160 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2ron h PHE 160 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2ron h PHE 160 CO 0.17 0.09 0.00 0.54 -1.61 0.00 0.00 178.31 177.50 2ron n ARG 161 N -3.35 0.00 0.23 1.51 3.00 -1.26 0.29 116.66 117.07 2ron n ARG 161 Ca -0.01 0.50 0.06 0.00 -0.01 0.00 0.00 57.85 58.40 2ron n ARG 161 Cb 0.27 -1.39 0.53 0.00 0.00 0.00 0.00 32.46 31.87 2ron n ARG 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ron h SER 162 N 0.00 0.00 0.10 0.55 0.87 -1.97 -2.18 113.55 110.92 2ron h SER 162 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ron h SER 162 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ron h SER 162 CO 0.00 0.20 -0.05 -0.78 -0.53 0.00 0.00 176.83 175.67 2ron h ASP 163 N 0.00 -0.11 -0.96 6.23 3.58 -1.32 0.31 116.42 124.16 2ron h ASP 163 Ca -0.00 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.67 2ron h ASP 163 Cb 0.37 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.37 2ron h ASP 163 CO 0.03 -0.06 0.62 1.88 -2.88 0.00 0.00 179.24 178.82 2ron h TYR 164 N -0.17 0.64 -0.02 0.28 -1.99 -0.19 0.44 116.97 115.96 2ron h TYR 164 Ca -0.01 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.58 2ron h TYR 164 Cb 0.10 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 2ron h TYR 164 CO 0.15 0.14 -0.71 -0.09 -0.00 0.00 0.00 178.16 177.65 2ron h ARG 165 N 0.46 0.09 -0.00 4.88 2.43 -1.39 0.43 114.38 121.29 2ron h ARG 165 Ca 0.52 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2ron h ARG 165 Cb 1.21 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2ron h ARG 165 CO -0.23 0.76 -0.31 0.00 -1.51 0.00 0.00 179.97 178.68 2ron n ALA 166 N -2.43 3.11 0.21 2.80 0.00 0.11 0.10 120.51 124.41 2ron n ALA 166 Ca -0.02 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.16 2ron n ALA 166 Cb 0.69 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 2ron n ALA 166 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ron n LEU 167 N -1.36 0.21 0.00 0.00 7.99 0.10 -4.77 117.00 119.17 2ron n LEU 167 Ca 0.07 -0.46 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 2ron n LEU 167 Cb 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2ron n LEU 167 CO 0.31 0.05 -0.23 -0.62 -1.51 0.00 0.00 177.39 175.39 2ron n GLU 168 N -1.16 0.72 -1.98 3.23 1.02 0.15 -5.03 120.64 117.58 2ron n GLU 168 Ca 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.01 2ron n GLU 168 Cb 0.08 -0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 30.75 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ron n GLN 169 N -1.66 -1.07 0.00 3.49 1.13 0.12 -4.84 117.38 114.55 2ron n GLN 169 Ca 0.00 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 55.84 2ron n GLN 169 Cb 0.23 -5.00 0.00 0.00 0.11 0.00 0.00 30.24 25.58 2ron n GLN 169 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2ron n PHE 170 N -3.55 0.00 -0.83 1.08 3.72 -1.26 -5.05 117.46 111.57 2ron n PHE 170 Ca -0.16 -0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 56.88 2ron n PHE 170 Cb 0.57 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 39.27 2ron n PHE 170 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2ron s GLU 171 N -0.12 0.91 0.55 -1.08 -6.30 -1.26 -5.05 118.70 106.35 2ron s GLU 171 Ca 0.00 1.27 0.05 0.00 -2.50 0.00 0.00 54.97 53.79 2ron s GLU 171 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 34.13 32.43 2ron s GLU 171 CO 0.00 -2.61 0.34 -0.51 0.02 0.00 0.00 175.26 172.50 2ron s LEU 172 N -6.55 2.59 0.17 2.70 1.43 -1.26 -4.99 118.68 112.77 2ron s LEU 172 Ca 0.66 -1.34 0.23 0.00 -1.03 0.00 0.00 54.13 52.65 2ron s LEU 172 Cb -0.22 -1.08 0.90 0.00 0.03 0.00 0.00 46.19 45.83 2ron s LEU 172 CO 0.59 -1.09 1.71 0.00 0.23 0.00 0.00 176.35 177.78 2ron n TYR 173 N -1.70 0.61 -4.14 0.29 4.11 -1.26 -4.76 117.16 110.30 2ron n TYR 173 Ca -0.05 0.21 -0.15 0.00 -0.00 0.00 0.00 57.90 57.91 2ron n TYR 173 Cb 0.65 -0.84 -0.11 0.00 -0.00 0.00 0.00 39.34 39.03 2ron n TYR 173 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2ron s ASP 174 N -3.96 1.35 -0.08 9.48 1.01 -1.26 -5.04 116.67 118.18 2ron s ASP 174 Ca 0.08 -0.70 0.11 0.00 0.71 0.00 0.00 52.55 52.75 2ron s ASP 174 Cb 0.11 0.00 0.17 0.00 1.01 0.00 0.00 42.92 44.21 2ron s ASP 174 CO 0.44 -0.20 1.08 0.00 0.21 0.00 0.00 175.17 176.70 2ron n LEU 175 N 0.97 1.41 -4.91 1.23 -0.00 -1.26 -5.08 117.00 109.36 2ron n LEU 175 Ca -0.19 -2.22 -0.30 0.00 -0.00 0.00 0.00 56.01 53.30 2ron n LEU 175 Cb 0.56 -0.25 0.18 0.00 -0.00 0.00 0.00 43.42 43.91 2ron n LEU 175 CO 0.24 0.52 0.86 0.00 -0.00 0.00 0.00 177.39 179.01 2ron s ALA 176 N -1.70 2.19 -0.87 1.47 0.00 -1.26 -4.58 121.76 117.02 2ron s ALA 176 Ca 0.19 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2ron s ALA 176 Cb 0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2ron s ALA 176 CO 0.02 -2.43 0.76 1.04 0.00 0.00 0.00 175.76 175.14 2ron n GLN 177 N -3.78 -2.09 -3.70 0.00 3.00 -1.23 -5.00 117.38 104.58 2ron n GLN 177 Ca 0.15 0.71 -0.17 0.00 -0.01 0.00 0.00 57.00 57.67 2ron n GLN 177 Cb 0.60 -5.06 -0.16 0.00 0.00 0.00 0.00 30.24 25.61 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2ron s ILE 178 N -3.32 -0.14 -0.30 5.09 -1.09 -1.26 -5.07 121.20 115.11 2ron s ILE 178 Ca 0.35 0.34 -0.07 0.00 -2.23 0.00 0.00 60.65 59.04 2ron s ILE 178 Cb -0.05 -0.19 0.19 0.00 -1.58 0.00 0.00 42.46 40.83 2ron s ILE 178 CO 0.60 0.14 0.88 0.00 -1.23 0.00 0.00 174.94 175.33 2ron s GLN 179 N 1.87 0.32 0.00 2.79 -2.07 -1.26 -2.50 119.66 118.81 2ron s GLN 179 Ca -0.00 0.46 0.00 0.00 -1.82 0.00 0.00 55.36 54.00 2ron s GLN 179 Cb -0.12 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 2ron s GLN 179 CO -0.04 -0.46 0.00 0.45 -1.32 0.00 0.00 175.29 173.92 2ron n SER 180 N 5.36 0.00 -2.58 12.60 2.88 -1.26 -4.87 113.62 125.75 2ron n SER 180 Ca 0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.53 2ron n SER 180 Cb 0.54 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 -1.16 -4.34 -1.46 -0.04 -1.26 -4.28 135.00 122.46 2ron n PRO 181 Ca 0.00 -0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 63.03 2ron n PRO 181 Cb 0.00 -0.11 -0.16 0.00 -0.04 0.00 0.00 33.50 33.19 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 -1.13 1.83 0.01 0.52 1.01 -0.85 -3.58 120.40 118.20 2ron s VAL 182 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2ron s VAL 182 Cb -0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2ron s VAL 182 CO 0.04 0.50 -0.03 -1.00 0.00 0.00 0.00 175.10 174.61 2ron s HIS 183 N 1.13 0.23 -0.02 5.22 3.76 -0.79 -1.94 115.29 122.87 2ron s HIS 183 Ca -0.01 -0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 2ron s HIS 183 Cb -0.14 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.40 2ron s HIS 183 CO -0.07 -0.04 0.10 0.08 -0.85 0.00 0.00 174.74 173.96 2ron s VAL 184 N -0.42 0.03 0.10 -0.90 1.01 -1.15 -3.50 120.40 115.57 2ron s VAL 184 Ca -0.03 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2ron s VAL 184 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2ron s VAL 184 CO -0.00 -0.16 -0.20 -0.36 0.00 0.00 0.00 175.10 174.38 2ron s PHE 185 N -0.50 1.71 -0.18 5.22 0.08 -0.66 -2.57 117.98 121.09 2ron s PHE 185 Ca -0.06 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.29 2ron s PHE 185 Cb -0.04 -0.94 0.10 0.00 -0.57 0.00 0.00 43.02 41.57 2ron s PHE 185 CO 0.00 0.19 0.85 0.54 -0.10 0.00 0.00 175.22 176.70 2ron s ASN 186 N -1.89 -0.56 0.00 1.36 4.22 -1.14 -1.27 114.94 115.66 2ron s ASN 186 Ca 0.05 0.84 0.00 0.00 -2.14 0.00 0.00 52.86 51.62 2ron s ASN 186 Cb -0.10 0.77 0.00 0.00 1.28 0.00 0.00 41.25 43.20 2ron s ASN 186 CO 0.04 -0.36 0.00 0.61 -2.04 0.00 0.00 177.10 175.35 2ron n GLY 187 N 1.57 0.24 4.24 0.45 0.00 -0.82 -3.37 105.19 107.50 2ron n GLY 187 Ca -0.14 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2ron n GLY 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ron n LEU 188 N 0.00 -0.86 -0.33 0.99 -0.00 -1.03 -2.84 117.00 112.93 2ron n LEU 188 Ca 0.00 -1.19 0.12 0.00 -0.00 0.00 0.00 56.01 54.94 2ron n LEU 188 Cb 0.00 -1.49 0.30 0.00 -0.00 0.00 0.00 43.42 42.23 2ron n LEU 188 CO 0.00 0.35 1.15 -2.24 -0.00 0.00 0.00 177.39 176.64 2ron h ASP 189 N -1.39 0.65 0.00 1.45 3.04 -1.91 -2.88 116.42 115.38 2ron h ASP 189 Ca -0.60 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2ron h ASP 189 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 2ron h ASP 189 CO 0.71 0.20 0.00 -0.90 -2.04 0.00 0.00 179.24 177.22 2ron n ASP 190 N -4.84 0.00 -4.51 4.15 5.75 -1.26 0.17 116.55 116.00 2ron n ASP 190 Ca 0.22 0.89 -0.33 0.00 -0.01 0.00 0.00 54.79 55.56 2ron n ASP 190 Cb 0.57 -0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 40.14 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ron s LYS 191 N -2.58 2.59 -0.06 0.11 2.20 -1.09 -3.28 119.74 117.63 2ron s LYS 191 Ca 0.00 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2ron s LYS 191 Cb 0.00 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 2ron s LYS 191 CO 0.00 0.64 -0.05 0.36 -0.36 0.00 0.00 175.35 175.93 2ron n LYS 192 N 2.28 0.15 0.27 4.03 2.85 -1.26 -4.61 118.16 121.87 2ron n LYS 192 Ca -0.17 0.04 0.17 0.00 -1.05 0.00 0.00 58.31 57.29 2ron n LYS 192 Cb 0.52 -1.11 0.91 0.00 -0.65 0.00 0.00 35.03 34.70 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ron h ILE 194 N 0.00 0.89 0.08 0.00 -0.00 -1.99 -1.35 117.51 115.14 2ron h ILE 194 Ca 0.04 -1.25 -0.00 0.00 -0.00 0.00 0.00 64.86 63.64 2ron h ILE 194 Cb 0.24 1.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.81 2ron h ILE 194 CO -0.00 0.31 -0.04 -0.09 -0.00 0.00 0.00 178.15 178.33 2ron h ARG 195 N 0.00 -0.10 -0.85 2.19 9.65 -1.18 -1.29 114.38 122.80 2ron h ARG 195 Ca -0.00 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2ron h ARG 195 Cb 0.72 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.28 2ron h ARG 195 CO 0.04 0.26 0.56 0.22 2.80 0.00 0.00 179.97 183.85 2ron h ASP 196 N -0.98 0.95 0.24 -3.80 3.58 -1.57 1.20 116.42 116.03 2ron h ASP 196 Ca -0.01 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2ron h ASP 196 Cb 0.41 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2ron h ASP 196 CO 0.02 0.67 -0.12 0.00 -2.88 0.00 0.00 179.24 176.93 2ron h ALA 197 N 1.49 -0.32 0.00 -0.78 0.00 -1.36 0.45 119.26 118.74 2ron h ALA 197 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ron h ALA 197 Cb -0.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ron h ALA 197 CO -0.08 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.16 2ron n GLU 198 N -5.01 0.83 -0.00 0.00 -0.58 -0.48 -1.93 120.64 113.46 2ron n GLU 198 Ca -0.08 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.72 2ron n GLU 198 Cb 0.26 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.54 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ron n GLY 199 N 0.79 -0.46 0.01 0.62 0.00 0.41 -4.55 105.19 102.00 2ron n GLY 199 Ca 0.20 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2ron n GLY 199 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2ron n TRP 200 N -1.81 0.00 0.26 1.61 -0.00 0.14 -4.32 117.44 113.33 2ron n TRP 200 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.63 2ron n TRP 200 Cb 0.28 -0.31 0.70 0.00 -0.00 0.00 0.00 31.31 31.97 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 0.00 0.00 5.87 -0.00 -1.59 -0.22 116.57 120.63 2ron h LYS 201 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2ron h LYS 201 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.94 2ron h LYS 201 CO 0.00 0.00 -1.07 0.36 -0.00 0.00 0.00 179.45 178.74 2ron n LYS 202 N -2.48 0.41 -1.97 0.07 2.85 -1.26 -4.90 118.16 110.88 2ron n LYS 202 Ca -0.01 0.02 -0.16 0.00 -1.05 0.00 0.00 58.31 57.11 2ron n LYS 202 Cb 0.11 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 32.79 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -2.21 -0.75 -3.00 5.58 7.02 -0.09 -3.48 117.44 120.51 2ron n TRP 203 Ca 0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 2ron n TRP 203 Cb 0.48 -3.12 -0.05 0.00 -2.42 0.00 0.00 31.31 26.20 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 -2.59 3.50 -0.47 6.99 0.00 -1.26 -4.71 121.76 123.21 2ron s ALA 204 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2ron s ALA 204 Cb 0.00 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 19.98 2ron s ALA 204 CO 0.00 -1.27 0.21 0.15 0.00 0.00 0.00 175.76 174.85 2ron s LYS 205 N 2.90 1.87 0.98 0.00 1.02 -1.04 -4.96 119.74 120.51 2ron s LYS 205 Ca 0.30 -2.39 -0.16 0.00 0.02 0.00 0.00 55.97 53.73 2ron s LYS 205 Cb -0.14 -3.31 0.21 0.00 -0.52 0.00 0.00 37.83 34.07 2ron s LYS 205 CO 0.14 -1.06 1.32 0.16 -0.92 0.00 0.00 175.35 174.98 2ron s ASP 206 N 0.14 2.92 0.31 2.83 -4.77 -1.26 -4.56 116.67 112.28 2ron s ASP 206 Ca 0.15 0.27 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 2ron s ASP 206 Cb -0.24 -0.31 0.49 0.00 -1.09 0.00 0.00 42.92 41.77 2ron s ASP 206 CO -0.03 -2.86 1.88 -0.29 0.70 0.00 0.00 175.17 174.58 2ron h ILE 207 N -1.73 1.21 -2.92 2.11 2.10 -1.74 -3.37 117.51 113.16 2ron h ILE 207 Ca -0.44 -0.68 -0.58 0.00 1.08 0.00 0.00 64.86 64.24 2ron h ILE 207 Cb 1.23 0.60 -0.40 0.00 -1.09 0.00 0.00 36.82 37.16 2ron h ILE 207 CO 0.37 0.26 -0.78 -0.89 -1.08 0.00 0.00 178.15 176.03 2ron s THR 208 N -5.31 0.74 -0.07 2.19 2.01 -1.26 -5.10 115.64 108.84 2ron s THR 208 Ca -0.09 -1.73 0.04 0.00 0.31 0.00 0.00 61.69 60.21 2ron s THR 208 Cb 0.16 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 71.13 2ron s THR 208 CO 0.79 -0.82 -0.18 0.72 -0.69 0.00 0.00 174.62 174.44 2ron s PHE 209 N 1.18 1.92 0.14 4.92 -0.71 -1.25 -1.89 117.98 122.29 2ron s PHE 209 Ca 0.14 -0.69 -0.08 0.00 -1.04 0.00 0.00 56.93 55.26 2ron s PHE 209 Cb -0.21 -1.32 -0.01 0.00 -1.21 0.00 0.00 43.02 40.28 2ron s PHE 209 CO -0.13 -0.28 0.24 -1.58 -1.34 0.00 0.00 175.22 172.12 2ron s HIS 210 N 0.34 0.40 -0.24 3.49 2.46 -1.23 -5.04 115.29 115.48 2ron s HIS 210 Ca -0.12 -0.78 -0.10 0.00 0.47 0.00 0.00 55.06 54.53 2ron s HIS 210 Cb -0.15 -0.11 0.10 0.00 -0.13 0.00 0.00 32.58 32.29 2ron s HIS 210 CO 0.05 -0.66 0.54 1.14 -2.47 0.00 0.00 174.74 173.34 2ron s GLN 211 N -3.95 0.49 -0.02 2.88 -2.07 -1.24 -1.65 119.66 114.10 2ron s GLN 211 Ca 0.15 1.16 0.05 0.00 -1.82 0.00 0.00 55.36 54.91 2ron s GLN 211 Cb 0.04 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 2ron s GLN 211 CO -0.02 -0.20 -0.17 0.12 -1.32 0.00 0.00 175.29 173.70 2ron s PHE 212 N 2.30 2.61 -0.07 9.60 5.36 -0.39 -4.96 117.98 132.42 2ron s PHE 212 Ca -0.06 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 2ron s PHE 212 Cb -0.10 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.04 2ron s PHE 212 CO -0.16 0.17 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.20 2ron s ASP 213 N -0.93 1.59 0.37 6.13 1.11 -1.26 -1.95 116.67 121.73 2ron s ASP 213 Ca 0.12 -0.20 0.19 0.00 0.18 0.00 0.00 52.55 52.83 2ron s ASP 213 Cb -0.10 -0.64 0.65 0.00 1.07 0.00 0.00 42.92 43.90 2ron s ASP 213 CO 0.02 -0.08 1.72 1.23 1.18 0.00 0.00 175.17 179.24 2ron h GLY 214 N 7.63 0.00 -5.71 0.21 0.00 -1.72 -3.45 103.07 100.02 2ron h GLY 214 Ca -0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2ron h GLY 214 CO 0.41 0.00 -0.93 0.61 0.00 0.00 0.00 176.54 176.63 2ron n GLY 215 N 0.28 -1.88 0.20 4.60 0.00 0.20 -4.89 105.19 103.69 2ron n GLY 215 Ca -0.00 0.61 0.07 0.00 0.00 0.00 0.00 46.02 46.70 2ron n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 216 N 0.52 0.00 -0.79 1.61 8.25 0.13 -4.53 115.22 120.41 2ron n HIS 216 Ca 0.01 -0.68 -0.33 0.00 -0.26 0.00 0.00 57.72 56.46 2ron n HIS 216 Cb 0.33 -0.12 0.13 0.00 1.12 0.00 0.00 29.99 31.45 2ron n HIS 216 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2ron n MET 217 N -0.97 -0.49 -0.16 -0.41 1.56 -1.21 -4.36 117.12 111.08 2ron n MET 217 Ca 0.11 -0.11 0.27 0.00 -0.27 0.00 0.00 57.70 57.70 2ron n MET 217 Cb 0.65 -1.79 0.71 0.00 2.15 0.00 0.00 33.22 34.94 2ron n MET 217 CO 0.00 0.00 0.00 0.35 -0.73 0.00 0.00 175.97 175.59 2ron h PHE 218 N -1.62 0.03 0.03 1.12 3.57 -1.91 0.17 116.94 118.34 2ron h PHE 218 Ca -0.45 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 60.66 2ron h PHE 218 Cb 1.30 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 2ron h PHE 218 CO 0.34 0.01 -2.32 1.28 -2.23 0.00 0.00 178.31 175.39 2ron n LEU 219 N -4.30 2.67 0.29 0.59 7.99 -1.26 -3.58 117.00 119.41 2ron n LEU 219 Ca 0.17 0.05 0.17 0.00 -0.01 0.00 0.00 56.01 56.39 2ron n LEU 219 Cb 0.90 -0.94 0.97 0.00 -0.11 0.00 0.00 43.42 44.23 2ron n LEU 219 CO 0.38 0.82 1.15 -0.07 -1.51 0.00 0.00 177.39 178.16 2ron h LEU 220 N -0.21 0.00 0.07 2.23 3.38 -1.69 -1.11 115.31 117.98 2ron h LEU 220 Ca -0.55 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.10 2ron h LEU 220 Cb 1.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 2ron h LEU 220 CO -0.11 0.00 -1.75 -1.28 0.09 0.00 0.00 178.44 175.38 2ron h SER 221 N 0.00 0.24 0.09 -0.43 0.87 -0.86 -3.38 113.55 110.07 2ron h SER 221 Ca 0.02 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2ron h SER 221 Cb 0.12 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2ron h SER 221 CO -0.00 1.42 -0.04 -0.61 -0.53 0.00 0.00 176.83 177.06 2ron h GLN 222 N 0.04 -0.11 -5.22 2.24 5.75 -1.33 -3.39 115.11 113.09 2ron h GLN 222 Ca -0.32 0.01 -0.65 0.00 -0.15 0.00 0.00 58.65 57.54 2ron h GLN 222 Cb 2.02 0.03 -0.16 0.00 1.07 0.00 0.00 27.48 30.43 2ron h GLN 222 CO 0.10 0.19 0.36 0.99 -2.65 0.00 0.00 178.83 177.83 2ron s THR 223 N -4.94 4.54 0.47 2.39 2.01 -0.53 -4.89 115.64 114.69 2ron s THR 223 Ca -0.15 -0.47 0.19 0.00 0.31 0.00 0.00 61.69 61.57 2ron s THR 223 Cb 0.03 -4.56 0.23 0.00 0.01 0.00 0.00 72.50 68.21 2ron s THR 223 CO 0.64 -1.24 2.06 1.05 -0.69 0.00 0.00 174.62 176.43 2ron h GLU 224 N 9.36 0.00 0.03 4.92 4.11 -1.81 -3.09 114.58 128.10 2ron h GLU 224 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2ron h GLU 224 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2ron h GLU 224 CO 1.12 0.13 -0.08 0.93 0.07 0.00 0.00 179.01 181.18 2ron h GLU 225 N 0.00 -0.11 -0.97 1.06 5.08 -1.92 -1.79 114.58 115.92 2ron h GLU 225 Ca -0.00 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 2ron h GLU 225 Cb 0.25 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 2ron h GLU 225 CO 0.02 -0.08 0.61 -0.39 -1.00 0.00 0.00 179.01 178.17 2ron h VAL 226 N -0.12 0.70 0.06 3.13 -1.51 -1.91 -1.39 116.25 115.21 2ron h VAL 226 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2ron h VAL 226 Cb 0.11 0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.27 2ron h VAL 226 CO -0.03 0.12 -0.23 0.00 -1.23 0.00 0.00 177.57 176.19 2ron h ALA 227 N 1.62 -0.76 -0.14 5.19 0.00 -1.33 0.16 119.26 124.00 2ron h ALA 227 Ca 0.54 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.42 2ron h ALA 227 Cb 1.01 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2ron h ALA 227 CO -0.30 -0.82 0.10 1.49 0.00 0.00 0.00 179.25 179.72 2ron h GLU 228 N -0.34 0.06 0.30 0.00 4.81 -0.95 -2.04 114.58 116.43 2ron h GLU 228 Ca -0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2ron h GLU 228 Cb 0.34 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2ron h GLU 228 CO -0.12 0.04 -0.14 0.00 -0.73 0.00 0.00 179.01 178.05 2ron h ARG 229 N 0.06 -0.39 0.24 1.92 2.47 -0.35 -1.51 114.38 116.82 2ron h ARG 229 Ca 0.06 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2ron h ARG 229 Cb 0.17 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2ron h ARG 229 CO -0.01 -0.17 -0.12 0.82 0.56 0.00 0.00 179.97 181.06 2ron h ILE 230 N -0.55 0.78 -0.98 2.04 1.08 -0.31 -2.50 117.51 117.06 2ron h ILE 230 Ca -0.04 -0.08 0.20 0.00 -0.39 0.00 0.00 64.86 64.54 2ron h ILE 230 Cb 0.40 0.83 -0.09 0.00 -3.07 0.00 0.00 36.82 34.88 2ron h ILE 230 CO 0.07 0.02 0.62 0.15 -0.69 0.00 0.00 178.15 178.31 2ron h PHE 231 N -0.37 0.90 0.78 1.37 3.04 -1.40 0.23 116.94 121.50 2ron h PHE 231 Ca -0.03 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2ron h PHE 231 Cb 0.28 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 38.53 2ron h PHE 231 CO -0.05 0.21 -0.37 0.00 -2.02 0.00 0.00 178.31 176.08 2ron h ALA 232 N 1.63 -1.20 -0.06 2.41 0.00 -0.89 0.25 119.26 121.40 2ron h ALA 232 Ca 0.55 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2ron h ALA 232 Cb 1.00 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ron h ALA 232 CO -0.32 -1.12 0.04 0.97 0.00 0.00 0.00 179.25 178.82 2ron h ILE 233 N -1.11 0.91 0.00 0.00 6.09 -1.02 0.29 117.51 122.68 2ron h ILE 233 Ca -0.11 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.32 2ron h ILE 233 Cb 0.80 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.05 2ron h ILE 233 CO 0.18 0.00 -0.29 -0.07 -3.07 0.00 0.00 178.15 174.90 2ron h LEU 234 N 0.00 0.00 0.00 2.19 -0.00 -0.36 0.35 115.31 117.49 2ron h LEU 234 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.73 2ron h LEU 234 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2ron h LEU 234 CO -0.00 0.29 -1.61 -3.20 -0.00 0.00 0.00 178.44 173.92 2ron n ASN 235 N -3.20 0.65 -0.60 -0.43 5.15 0.87 -4.12 115.26 113.58 2ron n ASN 235 Ca 0.02 0.28 0.06 0.00 -0.60 0.00 0.00 54.58 54.35 2ron n ASN 235 Cb 0.62 0.48 0.10 0.00 -0.53 0.00 0.00 39.78 40.44 2ron n ASN 235 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ron n GLN 236 N -2.80 1.53 0.02 1.20 10.64 0.82 -4.66 117.38 124.15 2ron n GLN 236 Ca -0.12 -1.58 -0.14 0.00 -1.83 0.00 0.00 57.00 53.32 2ron n GLN 236 Cb 0.85 -1.27 -0.08 0.00 -0.86 0.00 0.00 30.24 28.88 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2ron h HIS 237 N 2.47 -1.41 0.00 2.61 2.76 -0.45 -1.73 115.15 119.40 2ron h HIS 237 Ca 0.00 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 2ron h HIS 237 Cb 0.62 0.62 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 2ron h HIS 237 CO 0.10 -0.53 -0.36 -1.00 -1.30 0.00 0.00 177.93 174.84 2ron h PRO 238 N -0.58 0.00 -3.40 5.26 0.13 -1.84 -3.41 132.00 128.16 2ron h PRO 238 Ca 0.04 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.69 2ron h PRO 238 Cb 0.68 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.41 2ron h PRO 238 CO -0.39 0.36 -0.76 0.96 -0.23 0.00 0.00 178.00 177.95 2ron s ILE 239 N -3.86 0.28 0.22 -3.56 -4.36 -0.67 -5.14 121.20 104.11 2ron s ILE 239 Ca -0.01 -0.30 -0.17 0.00 -0.26 0.00 0.00 60.65 59.91 2ron s ILE 239 Cb 0.12 -0.78 -0.08 0.00 1.25 0.00 0.00 42.46 42.97 2ron s ILE 239 CO 0.69 -0.15 0.67 -0.63 0.24 0.00 0.00 174.94 175.76 2ron s ILE 240 N 1.98 4.68 0.42 8.37 1.01 -1.08 -4.30 121.20 132.28 2ron s ILE 240 Ca 0.01 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.69 2ron s ILE 240 Cb -0.16 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2ron s ILE 240 CO -0.08 0.12 0.67 -1.10 0.00 0.00 0.00 174.94 174.55 2ron s GLN 241 N -2.23 3.45 0.00 2.79 -0.21 -1.26 -5.13 119.66 117.07 2ron s GLN 241 Ca 0.44 -0.12 0.16 0.00 0.02 0.00 0.00 55.36 55.86 2ron s GLN 241 Cb -0.15 -2.52 0.93 0.00 1.00 0.00 0.00 33.01 32.27 2ron s GLN 241 CO 0.20 -0.07 1.34 -0.35 -2.12 0.00 0.00 175.29 174.30