#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rtv n MET -1 N 0.00 0.00 0.00 -1.46 3.85 -1.26 -5.01 117.12 113.24 1rtv n MET -1 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.70 1rtv n MET -1 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.17 1rtv n MET -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rtv n ALA 0 N -3.00 0.00 -3.64 3.17 0.00 -1.26 -5.07 120.51 110.70 1rtv n ALA 0 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1rtv n ALA 0 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1rtv n ALA 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rtv s MET 1 N 0.00 0.30 0.39 0.00 0.00 -1.26 -4.43 119.30 114.30 1rtv s MET 1 Ca 0.00 0.41 -0.24 0.00 0.00 0.00 0.00 55.69 55.86 1rtv s MET 1 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 34.83 34.86 1rtv s MET 1 CO 0.00 -0.04 1.06 0.15 0.00 0.00 0.00 175.02 176.19 1rtv s LYS 2 N 0.52 4.19 -0.05 3.16 1.02 0.42 -4.83 119.74 124.17 1rtv s LYS 2 Ca 0.00 1.55 0.02 0.00 0.02 0.00 0.00 55.97 57.57 1rtv s LYS 2 Cb -0.04 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1rtv s LYS 2 CO -0.11 -0.13 -0.10 0.00 -0.92 0.00 0.00 175.35 174.09 1rtv s ALA 3 N -1.60 1.08 -0.06 5.17 0.00 -1.26 -0.31 121.76 124.77 1rtv s ALA 3 Ca 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 1rtv s ALA 3 Cb -0.23 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1rtv s ALA 3 CO 0.29 0.10 0.05 0.99 0.00 0.00 0.00 175.76 177.18 1rtv s THR 4 N 0.64 0.04 0.30 0.00 2.01 -0.49 -4.98 115.64 113.17 1rtv s THR 4 Ca -0.12 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1rtv s THR 4 Cb -0.15 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 71.95 1rtv s THR 4 CO 0.03 0.15 1.21 -0.13 -0.69 0.00 0.00 174.62 175.18 1rtv s ARG 5 N 2.11 4.49 0.36 4.92 0.52 -1.26 -1.13 118.95 128.95 1rtv s ARG 5 Ca 0.05 2.01 0.04 0.00 -0.52 0.00 0.00 55.73 57.31 1rtv s ARG 5 Cb -0.13 -3.13 0.06 0.00 0.52 0.00 0.00 34.95 32.27 1rtv s ARG 5 CO -0.04 -0.00 0.49 1.28 0.02 0.00 0.00 175.30 177.05 1rtv n LEU 6 N 1.09 0.00 -0.34 2.53 4.77 -0.71 -4.93 117.00 119.40 1rtv n LEU 6 Ca -0.00 -1.36 0.21 0.00 -0.03 0.00 0.00 56.01 54.83 1rtv n LEU 6 Cb 0.43 -0.28 0.45 0.00 -2.33 0.00 0.00 43.42 41.69 1rtv n LEU 6 CO 0.57 -0.67 1.18 0.00 -1.33 0.00 0.00 177.39 177.14 1rtv h ALA 7 N 0.04 2.02 -2.09 -1.18 0.00 -1.96 -2.83 119.26 113.26 1rtv h ALA 7 Ca -0.16 0.10 -0.72 0.00 0.00 0.00 0.00 54.91 54.13 1rtv h ALA 7 Cb 0.71 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.32 1rtv h ALA 7 CO 0.22 -0.48 -0.10 0.42 0.00 0.00 0.00 179.25 179.30 1rtv s ILE 8 N -5.63 5.04 0.32 0.00 1.01 -1.26 -4.99 121.20 115.69 1rtv s ILE 8 Ca -0.10 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 59.58 1rtv s ILE 8 Cb 0.27 -4.33 0.32 0.00 0.01 0.00 0.00 42.46 38.73 1rtv s ILE 8 CO 0.80 -0.87 1.75 -0.65 0.00 0.00 0.00 174.94 175.97 1rtv h PRO 9 N 8.96 0.59 0.00 2.79 0.11 -1.87 -0.33 132.00 142.26 1rtv h PRO 9 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1rtv h PRO 9 Cb 1.10 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1rtv h PRO 9 CO 1.01 0.39 0.00 -0.44 -0.21 0.00 0.00 178.00 178.75 1rtv h ASP 10 N 0.61 0.00 -3.45 -2.05 3.32 -1.94 -3.40 116.42 109.51 1rtv h ASP 10 Ca 0.62 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 57.07 1rtv h ASP 10 Cb 1.17 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.62 1rtv h ASP 10 CO -0.43 0.00 0.08 -0.69 -1.72 0.00 0.00 179.24 176.48 1rtv s VAL 11 N -3.60 5.04 0.01 -1.35 1.01 -0.13 -4.69 120.40 116.68 1rtv s VAL 11 Ca 0.01 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.17 1rtv s VAL 11 Cb 0.09 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1rtv s VAL 11 CO 0.44 0.11 -0.26 -0.63 0.00 0.00 0.00 175.10 174.76 1rtv s ILE 12 N 1.97 2.06 -0.24 2.22 1.01 -1.09 -1.74 121.20 125.39 1rtv s ILE 12 Ca 0.26 -1.21 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 1rtv s ILE 12 Cb -0.16 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1rtv s ILE 12 CO 0.10 0.48 0.05 -0.22 0.00 0.00 0.00 174.94 175.35 1rtv s LEU 13 N -0.86 3.34 -0.09 2.97 2.96 -0.28 -0.87 118.68 125.85 1rtv s LEU 13 Ca 0.11 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1rtv s LEU 13 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1rtv s LEU 13 CO 0.00 -0.02 0.11 -0.36 -1.32 0.00 0.00 176.35 174.76 1rtv s PHE 14 N 1.50 3.46 -0.29 5.38 0.40 0.27 -1.39 117.98 127.31 1rtv s PHE 14 Ca 0.06 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1rtv s PHE 14 Cb -0.15 -1.87 0.09 0.00 0.51 0.00 0.00 43.02 41.60 1rtv s PHE 14 CO 0.02 0.65 0.06 -2.00 0.70 0.00 0.00 175.22 174.65 1rtv s GLU 15 N -1.19 0.99 0.40 0.44 2.12 0.58 -1.51 118.70 120.53 1rtv s GLU 15 Ca 0.17 -1.13 -0.27 0.00 0.36 0.00 0.00 54.97 54.10 1rtv s GLU 15 Cb -0.12 -2.31 -0.10 0.00 0.26 0.00 0.00 34.13 31.86 1rtv s GLU 15 CO 0.06 -0.88 1.46 -2.14 -0.54 0.00 0.00 175.26 173.23 1rtv s PRO 16 N 1.48 3.96 0.23 4.30 0.02 -1.26 -0.44 135.00 143.29 1rtv s PRO 16 Ca 0.06 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 1rtv s PRO 16 Cb -0.18 -2.86 -0.09 0.00 0.02 0.00 0.00 34.50 31.40 1rtv s PRO 16 CO -0.17 -0.63 0.98 0.50 -0.33 0.00 0.00 177.00 177.35 1rtv s ARG 17 N -2.22 4.79 0.09 5.54 3.52 -1.26 -4.90 118.95 124.51 1rtv s ARG 17 Ca 0.56 1.56 0.05 0.00 -0.13 0.00 0.00 55.73 57.77 1rtv s ARG 17 Cb -0.45 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1rtv s ARG 17 CO 0.61 0.40 -0.01 0.08 -0.81 0.00 0.00 175.30 175.57 1rtv s VAL 18 N -1.01 3.98 -0.08 7.11 1.01 -1.26 -4.40 120.40 125.75 1rtv s VAL 18 Ca 0.43 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1rtv s VAL 18 Cb -0.27 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1rtv s VAL 18 CO 0.34 0.12 -0.11 -0.36 0.00 0.00 0.00 175.10 175.09 1rtv s PHE 19 N -1.31 1.49 0.00 5.22 0.40 -0.47 -4.99 117.98 118.33 1rtv s PHE 19 Ca 0.25 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1rtv s PHE 19 Cb -0.12 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.28 1rtv s PHE 19 CO 0.18 -0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.15 1rtv n GLY 20 N 4.19 -1.24 0.00 4.36 0.00 -1.26 -0.03 105.19 111.20 1rtv n GLY 20 Ca -0.20 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1rtv n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rtv n ASP 21 N 0.00 0.00 0.24 1.61 5.68 0.56 -4.88 116.55 119.76 1rtv n ASP 21 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.39 1rtv n ASP 21 Cb 0.00 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 40.59 1rtv n ASP 21 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1rtv h ASP 22 N 0.00 0.00 1.14 -1.12 5.19 -2.00 -2.75 116.42 116.88 1rtv h ASP 22 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1rtv h ASP 22 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1rtv h ASP 22 CO 0.00 0.18 -0.87 0.03 -3.12 0.00 0.00 179.24 175.46 1rtv h ARG 23 N 0.00 0.00 -2.34 3.56 3.08 -2.02 -3.44 114.38 113.21 1rtv h ARG 23 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1rtv h ARG 23 Cb 0.43 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.25 1rtv h ARG 23 CO 0.02 0.04 -0.05 0.20 -1.07 0.00 0.00 179.97 179.11 1rtv s GLY 24 N -4.38 -0.44 0.06 0.04 0.00 -1.05 -5.18 107.32 96.37 1rtv s GLY 24 Ca 0.01 1.67 -0.18 0.00 0.00 0.00 0.00 44.72 46.21 1rtv s GLY 24 CO 0.77 1.48 0.42 -0.11 0.00 0.00 0.00 173.10 175.66 1rtv s PHE 25 N 0.45 -0.27 -0.01 1.90 -0.12 -1.14 0.21 117.98 119.00 1rtv s PHE 25 Ca -0.01 0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.08 1rtv s PHE 25 Cb -0.04 0.24 -0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1rtv s PHE 25 CO -0.01 -0.60 -0.10 0.12 -0.05 0.00 0.00 175.22 174.58 1rtv s PHE 26 N -2.73 0.91 -0.01 3.49 5.36 0.95 -4.98 117.98 120.97 1rtv s PHE 26 Ca -0.04 -0.18 -0.15 0.00 -0.96 0.00 0.00 56.93 55.60 1rtv s PHE 26 Cb -0.00 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 42.10 1rtv s PHE 26 CO -0.04 -0.04 0.32 -0.59 -1.46 0.00 0.00 175.22 173.41 1rtv s PHE 27 N -0.13 -0.19 -0.44 10.12 -0.71 -1.26 -1.36 117.98 124.01 1rtv s PHE 27 Ca 0.02 0.28 -0.26 0.00 -1.04 0.00 0.00 56.93 55.93 1rtv s PHE 27 Cb -0.05 0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1rtv s PHE 27 CO -0.00 -0.40 0.94 -1.21 -1.34 0.00 0.00 175.22 173.20 1rtv s GLU 28 N -1.37 3.63 0.21 1.99 2.02 -1.26 -4.91 118.70 119.01 1rtv s GLU 28 Ca -0.13 0.30 0.26 0.00 0.02 0.00 0.00 54.97 55.41 1rtv s GLU 28 Cb -0.05 -3.89 0.75 0.00 0.10 0.00 0.00 34.13 31.04 1rtv s GLU 28 CO 0.04 -1.15 1.73 -1.13 0.02 0.00 0.00 175.26 174.76 1rtv n SER 29 N 7.09 0.83 -3.64 -0.19 3.41 -1.26 -4.78 113.62 115.08 1rtv n SER 29 Ca 0.07 0.53 -0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1rtv n SER 29 Cb 0.48 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1rtv n SER 29 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1rtv s TYR 30 N -3.11 -0.76 -0.24 7.33 5.04 -1.26 -5.06 117.35 119.29 1rtv s TYR 30 Ca 0.10 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.35 1rtv s TYR 30 Cb 0.12 0.42 0.08 0.00 0.35 0.00 0.00 41.96 42.94 1rtv s TYR 30 CO 0.61 -0.37 0.11 1.21 -1.34 0.00 0.00 175.55 175.77 1rtv s ASN 31 N 0.95 3.00 0.32 4.32 3.84 -1.26 -5.03 114.94 121.07 1rtv s ASN 31 Ca -0.04 -0.98 0.08 0.00 0.21 0.00 0.00 52.86 52.13 1rtv s ASN 31 Cb -0.05 -0.31 0.92 0.00 -0.55 0.00 0.00 41.25 41.27 1rtv s ASN 31 CO -0.11 -0.40 1.61 -0.61 -2.79 0.00 0.00 177.10 174.81 1rtv h GLN 32 N 8.41 0.11 0.32 0.43 4.15 -2.00 0.89 115.11 127.43 1rtv h GLN 32 Ca -0.18 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1rtv h GLN 32 Cb 1.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1rtv h GLN 32 CO 0.37 0.07 -0.15 0.00 -1.93 0.00 0.00 178.83 177.19 1rtv h ARG 33 N 0.12 -0.41 -0.77 1.69 3.08 -1.99 0.40 114.38 116.50 1rtv h ARG 33 Ca 0.66 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.71 1rtv h ARG 33 Cb 1.49 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.59 1rtv h ARG 33 CO -0.76 -0.11 0.39 0.00 -1.07 0.00 0.00 179.97 178.43 1rtv h ALA 34 N -0.16 0.99 -0.25 0.04 0.00 -1.73 -1.17 119.26 116.98 1rtv h ALA 34 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1rtv h ALA 34 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rtv h ALA 34 CO 0.07 0.53 0.04 0.35 0.00 0.00 0.00 179.25 180.24 1rtv h PHE 35 N 1.07 0.43 -0.62 0.00 3.57 -0.78 0.19 116.94 120.80 1rtv h PHE 35 Ca 0.27 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1rtv h PHE 35 Cb 0.08 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1rtv h PHE 35 CO 0.01 0.53 0.15 0.93 -2.23 0.00 0.00 178.31 177.70 1rtv h GLU 36 N 0.22 0.97 -0.36 1.11 5.08 -0.80 -0.40 114.58 120.39 1rtv h GLU 36 Ca 0.07 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1rtv h GLU 36 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1rtv h GLU 36 CO 0.00 0.86 -0.23 1.49 -1.00 0.00 0.00 179.01 180.14 1rtv h GLU 37 N 0.93 0.70 -0.12 2.33 4.57 -1.00 0.84 114.58 122.82 1rtv h GLU 37 Ca 0.20 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1rtv h GLU 37 Cb 0.32 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1rtv h GLU 37 CO -0.00 0.87 -0.07 0.00 -1.18 0.00 0.00 179.01 178.62 1rtv h ALA 38 N 1.14 0.18 -0.00 2.92 0.00 -0.58 -3.21 119.26 119.71 1rtv h ALA 38 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rtv h ALA 38 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rtv h ALA 38 CO 0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 179.25 178.94 1rtv n GLY 40 N 1.40 0.78 3.43 0.00 0.00 0.28 -5.01 105.19 106.06 1rtv n GLY 40 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1rtv n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1rtv s HIS 41 N -3.06 -0.35 0.54 1.61 -3.43 -1.15 -5.01 115.29 104.44 1rtv s HIS 41 Ca 0.00 0.08 -0.22 0.00 -0.80 0.00 0.00 55.06 54.12 1rtv s HIS 41 Cb 0.00 0.45 -0.05 0.00 -1.43 0.00 0.00 32.58 31.55 1rtv s HIS 41 CO 0.00 -0.84 1.31 -2.30 -2.00 0.00 0.00 174.74 170.91 1rtv n PRO 42 N -0.33 1.61 -3.85 -0.38 -0.02 -1.26 -4.59 135.00 126.17 1rtv n PRO 42 Ca -0.15 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1rtv n PRO 42 Cb 0.64 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 1rtv n PRO 42 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rtv s VAL 43 N -1.30 0.01 -0.09 -1.45 1.01 -1.26 -5.11 120.40 112.21 1rtv s VAL 43 Ca 0.72 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.65 1rtv s VAL 43 Cb -0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 1rtv s VAL 43 CO 0.49 -0.05 -0.24 -0.44 0.00 0.00 0.00 175.10 174.87 1rtv s SER 44 N -0.12 3.02 -0.22 3.32 0.01 -1.26 -5.08 113.70 113.37 1rtv s SER 44 Ca -0.02 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 1rtv s SER 44 Cb -0.01 -1.23 -0.03 0.00 0.21 0.00 0.00 66.02 64.95 1rtv s SER 44 CO 0.00 0.18 0.06 -0.36 0.41 0.00 0.00 173.24 173.53 1rtv s PHE 45 N 0.22 3.14 -0.39 2.43 0.40 -1.26 -4.17 117.98 118.35 1rtv s PHE 45 Ca -0.15 -0.20 0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1rtv s PHE 45 Cb -0.17 -2.16 -0.15 0.00 0.51 0.00 0.00 43.02 41.06 1rtv s PHE 45 CO 0.07 -0.13 0.43 1.33 0.70 0.00 0.00 175.22 177.62 1rtv n VAL 46 N 4.29 0.00 -3.78 -0.44 0.24 -0.35 -4.98 118.33 113.31 1rtv n VAL 46 Ca -0.16 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 1rtv n VAL 46 Cb 0.52 0.76 -0.11 0.00 -1.47 0.00 0.00 33.84 33.54 1rtv n VAL 46 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1rtv s GLN 47 N -2.34 0.30 -0.06 7.34 0.74 -1.21 -5.01 119.66 119.43 1rtv s GLN 47 Ca 0.02 0.37 0.05 0.00 0.05 0.00 0.00 55.36 55.85 1rtv s GLN 47 Cb 0.09 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.32 1rtv s GLN 47 CO 0.49 -0.04 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.46 1rtv s ASP 48 N 0.17 3.37 -0.02 6.67 1.01 -1.26 -1.95 116.67 124.65 1rtv s ASP 48 Ca -0.00 -0.42 0.06 0.00 0.71 0.00 0.00 52.55 52.90 1rtv s ASP 48 Cb -0.02 -0.86 -0.01 0.00 1.01 0.00 0.00 42.92 43.04 1rtv s ASP 48 CO 0.00 0.27 -0.21 0.20 0.21 0.00 0.00 175.17 175.64 1rtv s ASN 49 N -0.28 2.42 -0.05 0.27 0.01 -0.41 -4.97 114.94 111.93 1rtv s ASN 49 Ca 0.01 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1rtv s ASN 49 Cb -0.13 -0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.22 1rtv s ASN 49 CO 0.03 0.24 -0.11 -2.28 -1.51 0.00 0.00 177.10 173.47 1rtv s HIS 50 N -0.43 1.25 0.05 2.20 5.65 -1.26 -1.08 115.29 121.66 1rtv s HIS 50 Ca 0.06 -0.39 -0.05 0.00 0.25 0.00 0.00 55.06 54.94 1rtv s HIS 50 Cb -0.08 -0.90 -0.02 0.00 -1.18 0.00 0.00 32.58 30.40 1rtv s HIS 50 CO -0.00 -0.19 0.08 -1.54 -0.65 0.00 0.00 174.74 172.44 1rtv s SER 51 N 0.42 0.23 -0.06 9.88 1.04 0.60 -4.98 113.70 120.83 1rtv s SER 51 Ca -0.09 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1rtv s SER 51 Cb -0.12 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1rtv s SER 51 CO 0.02 -0.55 -0.15 -0.60 0.98 0.00 0.00 173.24 172.95 1rtv s ARG 52 N -2.98 1.85 -0.02 4.02 3.52 -1.26 -1.16 118.95 122.93 1rtv s ARG 52 Ca -0.02 -0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 54.99 1rtv s ARG 52 Cb 0.01 -1.53 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1rtv s ARG 52 CO -0.06 0.10 0.19 -1.12 -0.81 0.00 0.00 175.30 173.59 1rtv s SER 53 N 0.47 -0.08 0.74 -2.12 0.01 -0.61 -4.98 113.70 107.13 1rtv s SER 53 Ca -0.12 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 1rtv s SER 53 Cb -0.15 0.29 0.08 0.00 0.21 0.00 0.00 66.02 66.45 1rtv s SER 53 CO 0.04 -0.30 1.05 0.00 0.41 0.00 0.00 173.24 174.44 1rtv s ALA 54 N -0.97 3.08 0.14 1.44 0.00 -1.26 -0.49 121.76 123.69 1rtv s ALA 54 Ca -0.11 -1.00 -0.34 0.00 0.00 0.00 0.00 51.96 50.52 1rtv s ALA 54 Cb -0.06 -2.59 -0.17 0.00 0.00 0.00 0.00 23.12 20.30 1rtv s ALA 54 CO 0.02 -1.44 1.03 -2.13 0.00 0.00 0.00 175.76 173.24 1rtv n ARG 55 N -3.02 0.69 -0.28 0.00 0.63 -0.74 -1.94 116.66 111.99 1rtv n ARG 55 Ca 0.09 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1rtv n ARG 55 Cb 0.60 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1rtv n ARG 55 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rtv n GLY 56 N 1.90 2.13 3.72 5.14 0.00 0.28 -4.87 105.19 113.49 1rtv n GLY 56 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1rtv n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rtv s VAL 57 N -3.04 3.04 -0.25 1.61 1.01 -0.82 -1.82 120.40 120.13 1rtv s VAL 57 Ca 0.00 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1rtv s VAL 57 Cb 0.00 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.95 1rtv s VAL 57 CO 0.00 0.07 -0.03 -0.22 0.00 0.00 0.00 175.10 174.92 1rtv s LEU 58 N 0.82 2.72 -0.24 3.92 0.20 -1.15 -1.35 118.68 123.60 1rtv s LEU 58 Ca 0.65 -1.29 -0.12 0.00 0.69 0.00 0.00 54.13 54.06 1rtv s LEU 58 Cb -0.39 -1.19 -0.05 0.00 -0.43 0.00 0.00 46.19 44.13 1rtv s LEU 58 CO 0.33 -0.26 0.21 -0.13 -0.29 0.00 0.00 176.35 176.21 1rtv s ARG 59 N 1.37 4.07 -0.10 1.98 0.52 -0.80 -4.64 118.95 121.35 1rtv s ARG 59 Ca -0.03 -0.18 -0.32 0.00 -0.52 0.00 0.00 55.73 54.67 1rtv s ARG 59 Cb -0.19 -3.56 0.12 0.00 0.52 0.00 0.00 34.95 31.85 1rtv s ARG 59 CO -0.08 0.01 1.09 0.20 0.02 0.00 0.00 175.30 176.54 1rtv s GLY 60 N 1.15 -0.36 -0.88 -3.53 0.00 -1.26 -2.18 107.32 100.27 1rtv s GLY 60 Ca 0.10 1.28 -0.04 0.00 0.00 0.00 0.00 44.72 46.06 1rtv s GLY 60 CO 0.06 0.42 0.78 1.04 0.00 0.00 0.00 173.10 175.40 1rtv n LEU 61 N -0.18 -5.67 -4.75 0.66 4.77 -0.47 -4.52 117.00 106.84 1rtv n LEU 61 Ca -0.03 -0.47 -0.33 0.00 -0.03 0.00 0.00 56.01 55.14 1rtv n LEU 61 Cb 0.60 -3.03 -0.08 0.00 -2.33 0.00 0.00 43.42 38.58 1rtv n LEU 61 CO 0.10 -0.25 -0.27 -1.00 -1.33 0.00 0.00 177.39 174.64 1rtv s HIS 62 N -3.25 3.23 -0.12 -1.77 3.76 0.09 -0.92 115.29 116.31 1rtv s HIS 62 Ca 0.30 0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 55.09 1rtv s HIS 62 Cb -0.04 -1.73 0.12 0.00 1.11 0.00 0.00 32.58 32.04 1rtv s HIS 62 CO 0.68 0.52 1.01 1.52 -0.85 0.00 0.00 174.74 177.62 1rtv s TYR 63 N -1.12 -0.31 -0.11 1.40 1.13 -1.14 -0.49 117.35 116.71 1rtv s TYR 63 Ca 0.20 0.39 0.03 0.00 -1.41 0.00 0.00 57.07 56.28 1rtv s TYR 63 Cb -0.12 0.49 -0.00 0.00 -1.10 0.00 0.00 41.96 41.23 1rtv s TYR 63 CO 0.11 -0.37 -0.21 -0.65 -2.51 0.00 0.00 175.55 171.92 1rtv s GLN 64 N -1.95 3.14 -0.13 -3.49 -0.21 -1.26 0.19 119.66 115.95 1rtv s GLN 64 Ca 0.03 -0.82 -0.13 0.00 0.02 0.00 0.00 55.36 54.46 1rtv s GLN 64 Cb -0.01 -2.41 -0.25 0.00 1.00 0.00 0.00 33.01 31.34 1rtv s GLN 64 CO -0.03 0.17 0.42 0.82 -2.12 0.00 0.00 175.29 174.54 1rtv h ILE 65 N 5.64 0.83 -3.38 1.08 2.04 -1.97 -3.37 117.51 118.38 1rtv h ILE 65 Ca -0.22 -2.34 -0.53 0.00 1.00 0.00 0.00 64.86 62.77 1rtv h ILE 65 Cb 1.23 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.81 1rtv h ILE 65 CO 0.50 0.72 -0.12 -0.13 0.00 0.00 0.00 178.15 179.12 1rtv s ARG 66 N -2.50 3.75 -1.33 2.37 1.81 -1.26 -4.04 118.95 117.76 1rtv s ARG 66 Ca -0.22 0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 53.97 1rtv s ARG 66 Cb 0.06 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 1rtv s ARG 66 CO 0.74 0.28 0.69 1.04 -0.68 0.00 0.00 175.30 177.37 1rtv n GLN 67 N -0.40 -4.82 -1.70 3.54 6.02 -1.26 -4.89 117.38 113.88 1rtv n GLN 67 Ca -0.00 0.60 -0.38 0.00 -0.01 0.00 0.00 57.00 57.21 1rtv n GLN 67 Cb 0.53 -5.14 0.05 0.00 1.02 0.00 0.00 30.24 26.70 1rtv n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rtv n ALA 68 N -4.30 1.01 -3.05 -1.58 0.00 -1.26 -4.78 120.51 106.54 1rtv n ALA 68 Ca -0.28 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1rtv n ALA 68 Cb 0.67 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.71 1rtv n ALA 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1rtv s GLN 69 N -2.94 0.19 0.29 0.00 -0.21 -1.26 -4.54 119.66 111.19 1rtv s GLN 69 Ca 0.75 -0.03 -0.12 0.00 0.02 0.00 0.00 55.36 55.98 1rtv s GLN 69 Cb -0.41 -0.23 -0.08 0.00 1.00 0.00 0.00 33.01 33.29 1rtv s GLN 69 CO 0.46 -0.00 0.65 0.20 -2.12 0.00 0.00 175.29 174.49 1rtv s GLY 70 N 0.22 2.25 -0.02 3.09 0.00 -1.26 -3.28 107.32 108.31 1rtv s GLY 70 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1rtv s GLY 70 CO -0.01 0.03 -0.04 0.54 0.00 0.00 0.00 173.10 173.62 1rtv s LYS 71 N -3.03 0.57 -0.26 2.90 1.02 0.71 -2.67 119.74 118.98 1rtv s LYS 71 Ca 0.51 -0.11 -0.02 0.00 0.02 0.00 0.00 55.97 56.37 1rtv s LYS 71 Cb -0.11 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.64 1rtv s LYS 71 CO 0.21 -0.00 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.42 1rtv s LEU 72 N 0.48 3.37 0.09 3.17 2.96 -0.40 0.31 118.68 128.66 1rtv s LEU 72 Ca -0.06 -0.98 0.10 0.00 -0.22 0.00 0.00 54.13 52.98 1rtv s LEU 72 Cb -0.09 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1rtv s LEU 72 CO -0.00 -0.16 -0.26 0.68 -1.32 0.00 0.00 176.35 175.29 1rtv s VAL 73 N 1.30 2.16 0.22 1.68 -7.23 -0.24 -1.10 120.40 117.19 1rtv s VAL 73 Ca -0.01 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.45 1rtv s VAL 73 Cb -0.17 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1rtv s VAL 73 CO -0.04 0.21 0.48 0.00 -0.31 0.00 0.00 175.10 175.44 1rtv s ARG 74 N -1.66 1.45 -0.25 4.82 1.70 -0.51 -2.01 118.95 122.49 1rtv s ARG 74 Ca 0.12 -1.09 -0.03 0.00 -0.47 0.00 0.00 55.73 54.26 1rtv s ARG 74 Cb -0.10 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1rtv s ARG 74 CO 0.04 -0.60 -0.03 0.00 -1.08 0.00 0.00 175.30 173.63 1rtv s ALA 75 N -3.96 2.80 -0.49 7.88 0.00 -1.26 -1.48 121.76 125.24 1rtv s ALA 75 Ca 0.16 -1.39 0.23 0.00 0.00 0.00 0.00 51.96 50.97 1rtv s ALA 75 Cb -0.01 -1.78 0.19 0.00 0.00 0.00 0.00 23.12 21.52 1rtv s ALA 75 CO 0.04 -0.74 1.19 1.79 0.00 0.00 0.00 175.76 178.04 1rtv h THR 76 N 5.97 0.00 -3.66 0.00 1.35 -1.66 -2.89 112.91 112.02 1rtv h THR 76 Ca -0.35 -0.67 -0.25 0.00 -0.55 0.00 0.00 66.41 64.59 1rtv h THR 76 Cb 1.12 1.19 -0.30 0.00 -1.73 0.00 0.00 68.15 68.43 1rtv h THR 76 CO 0.59 0.00 -0.72 -0.22 -0.25 0.00 0.00 175.52 174.92 1rtv s LEU 77 N -4.61 1.69 0.00 3.87 2.96 -1.15 -4.63 118.68 116.81 1rtv s LEU 77 Ca 0.04 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1rtv s LEU 77 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.78 1rtv s LEU 77 CO 0.75 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 176.35 1rtv n GLY 78 N 3.45 -1.22 2.84 7.98 0.00 -1.26 -0.69 105.19 116.29 1rtv n GLY 78 Ca -0.17 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 1rtv n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rtv s GLU 79 N 0.00 0.24 0.24 1.61 2.12 -1.26 -1.61 118.70 120.04 1rtv s GLU 79 Ca 0.00 0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.43 1rtv s GLU 79 Cb 0.00 -0.38 -0.05 0.00 0.26 0.00 0.00 34.13 33.95 1rtv s GLU 79 CO 0.00 -0.09 -0.04 0.14 -0.54 0.00 0.00 175.26 174.73 1rtv s VAL 80 N 0.76 1.28 -0.24 3.70 -7.23 -0.61 -0.85 120.40 117.21 1rtv s VAL 80 Ca -0.07 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 1rtv s VAL 80 Cb -0.11 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1rtv s VAL 80 CO -0.01 -0.36 -0.03 0.12 -0.31 0.00 0.00 175.10 174.51 1rtv s PHE 81 N -3.26 3.03 -0.10 2.82 5.36 -0.66 -1.28 117.98 123.89 1rtv s PHE 81 Ca 0.27 -1.16 -0.02 0.00 -0.96 0.00 0.00 56.93 55.07 1rtv s PHE 81 Cb 0.04 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 1rtv s PHE 81 CO 0.09 -0.62 -0.02 0.34 -1.46 0.00 0.00 175.22 173.56 1rtv s ASP 82 N 1.43 5.05 0.01 6.13 2.15 0.18 -1.76 116.67 129.86 1rtv s ASP 82 Ca 0.03 0.05 0.05 0.00 0.43 0.00 0.00 52.55 53.11 1rtv s ASP 82 Cb -0.16 -1.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.95 1rtv s ASP 82 CO -0.03 0.32 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.46 1rtv s VAL 83 N -0.55 1.16 -0.04 1.11 1.01 0.22 -1.21 120.40 122.09 1rtv s VAL 83 Ca 0.09 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1rtv s VAL 83 Cb -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1rtv s VAL 83 CO 0.02 0.22 -0.13 0.00 0.00 0.00 0.00 175.10 175.21 1rtv s ALA 84 N -0.52 1.21 -0.09 5.51 0.00 -0.24 -1.69 121.76 125.93 1rtv s ALA 84 Ca 0.04 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1rtv s ALA 84 Cb -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1rtv s ALA 84 CO 0.00 0.19 -0.21 0.08 0.00 0.00 0.00 175.76 175.82 1rtv s VAL 85 N 0.22 1.84 -0.36 0.00 1.01 -0.28 -1.51 120.40 121.33 1rtv s VAL 85 Ca -0.06 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 1rtv s VAL 85 Cb -0.11 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1rtv s VAL 85 CO 0.02 0.51 0.85 -0.62 0.00 0.00 0.00 175.10 175.86 1rtv s ASP 86 N 0.44 6.63 -0.24 3.32 -1.08 -0.58 -0.45 116.67 124.70 1rtv s ASP 86 Ca -0.18 0.50 0.10 0.00 -0.52 0.00 0.00 52.55 52.46 1rtv s ASP 86 Cb -0.17 -2.43 0.45 0.00 -1.46 0.00 0.00 42.92 39.31 1rtv s ASP 86 CO 0.07 -0.77 1.30 0.18 0.52 0.00 0.00 175.17 176.48 1rtv n LEU 87 N 6.54 3.30 -4.65 -1.34 4.77 -0.13 -0.75 117.00 124.75 1rtv n LEU 87 Ca 0.05 -3.91 -0.41 0.00 -0.03 0.00 0.00 56.01 51.70 1rtv n LEU 87 Cb 0.48 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1rtv n LEU 87 CO 0.55 1.40 0.55 -0.13 -1.33 0.00 0.00 177.39 178.43 1rtv s ARG 88 N -3.27 4.20 -0.28 3.23 0.52 -1.21 -2.42 118.95 119.73 1rtv s ARG 88 Ca 0.41 0.84 -0.42 0.00 -0.52 0.00 0.00 55.73 56.04 1rtv s ARG 88 Cb 0.39 -3.62 -0.18 0.00 0.52 0.00 0.00 34.95 32.06 1rtv s ARG 88 CO -0.04 -0.41 1.54 -2.13 0.02 0.00 0.00 175.30 174.28 1rtv n ARG 89 N 5.62 0.54 -0.67 3.54 0.63 -0.97 0.11 116.66 125.46 1rtv n ARG 89 Ca 0.03 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1rtv n ARG 89 Cb 0.48 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.61 1rtv n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rtv n GLY 90 N 3.53 1.61 3.74 5.14 0.00 -1.26 -4.99 105.19 112.95 1rtv n GLY 90 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1rtv n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rtv s SER 91 N -3.30 6.44 0.62 1.61 0.15 0.12 -4.81 113.70 114.52 1rtv s SER 91 Ca 0.00 2.84 0.40 0.00 0.70 0.00 0.00 55.95 59.89 1rtv s SER 91 Cb 0.00 -2.62 2.16 0.00 -1.71 0.00 0.00 66.02 63.85 1rtv s SER 91 CO 0.00 -0.90 2.21 -0.65 1.20 0.00 0.00 173.24 175.11 1rtv h PRO 92 N 5.79 0.00 -0.06 5.44 0.11 -1.94 -0.10 132.00 141.23 1rtv h PRO 92 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1rtv h PRO 92 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1rtv h PRO 92 CO 0.86 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 178.82 1rtv n THR 93 N -2.93 2.04 -1.64 -1.15 -2.24 -1.26 -5.02 114.28 102.08 1rtv n THR 93 Ca -0.03 -2.38 -0.49 0.00 -2.27 0.00 0.00 64.05 58.89 1rtv n THR 93 Cb 0.10 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 1rtv n THR 93 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1rtv n PHE 94 N -1.22 2.00 -0.69 4.78 7.35 -0.05 -0.97 117.46 128.65 1rtv n PHE 94 Ca 0.18 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.27 1rtv n PHE 94 Cb 0.71 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 38.07 1rtv n PHE 94 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rtv n GLY 95 N 3.19 0.82 3.93 7.13 0.00 0.07 -5.01 105.19 115.31 1rtv n GLY 95 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1rtv n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rtv s GLN 96 N -0.31 3.52 0.07 1.61 -0.21 -0.14 -4.85 119.66 119.35 1rtv s GLN 96 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.11 1rtv s GLN 96 Cb 0.00 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 1rtv s GLN 96 CO 0.00 0.22 -0.06 1.67 -2.12 0.00 0.00 175.29 175.01 1rtv s TRP 97 N -2.16 0.71 0.05 0.91 1.48 -1.26 -1.53 118.94 117.13 1rtv s TRP 97 Ca 0.40 -0.81 0.02 0.00 -1.06 0.00 0.00 56.10 54.65 1rtv s TRP 97 Cb -0.10 -0.43 -0.03 0.00 -1.16 0.00 0.00 33.47 31.75 1rtv s TRP 97 CO 0.33 -0.18 -0.07 0.14 -4.06 0.00 0.00 176.95 173.11 1rtv s VAL 98 N -2.94 0.50 -0.00 -0.66 -7.23 -0.57 -4.96 120.40 104.54 1rtv s VAL 98 Ca 0.03 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 58.83 1rtv s VAL 98 Cb 0.01 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1rtv s VAL 98 CO -0.04 -0.53 0.19 -0.83 -0.31 0.00 0.00 175.10 173.58 1rtv s GLY 99 N -1.94 -0.02 0.00 2.32 0.00 -1.26 -1.07 107.32 105.34 1rtv s GLY 99 Ca -0.05 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 1rtv s GLY 99 CO -0.01 -0.13 0.27 -0.54 0.00 0.00 0.00 173.10 172.69 1rtv s GLU 100 N -1.34 0.66 -0.16 2.90 0.41 -0.35 -4.96 118.70 115.86 1rtv s GLU 100 Ca -0.14 -0.31 -0.24 0.00 -0.41 0.00 0.00 54.97 53.87 1rtv s GLU 100 Cb -0.07 0.29 -0.02 0.00 -1.78 0.00 0.00 34.13 32.55 1rtv s GLU 100 CO 0.02 -0.19 0.77 1.03 -0.49 0.00 0.00 175.26 176.41 1rtv s ARG 101 N -1.62 4.30 -0.06 1.61 0.52 -1.26 -0.64 118.95 121.79 1rtv s ARG 101 Ca -0.12 0.91 0.04 0.00 -0.52 0.00 0.00 55.73 56.05 1rtv s ARG 101 Cb -0.05 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 1rtv s ARG 101 CO 0.02 -0.26 -0.18 -0.51 0.02 0.00 0.00 175.30 174.39 1rtv s LEU 102 N 1.93 2.49 0.20 2.53 1.43 -0.41 -4.87 118.68 121.98 1rtv s LEU 102 Ca 0.36 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1rtv s LEU 102 Cb -0.17 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1rtv s LEU 102 CO 0.13 0.28 0.28 -0.94 0.23 0.00 0.00 176.35 176.33 1rtv s SER 103 N -0.38 0.05 0.28 2.29 1.04 -1.26 -1.57 113.70 114.15 1rtv s SER 103 Ca 0.03 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1rtv s SER 103 Cb -0.12 0.45 0.40 0.00 0.10 0.00 0.00 66.02 66.85 1rtv s SER 103 CO 0.02 -0.94 1.76 0.00 0.98 0.00 0.00 173.24 175.06 1rtv h ALA 104 N 2.50 1.14 0.18 5.32 0.00 -1.08 0.10 119.26 127.42 1rtv h ALA 104 Ca -0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1rtv h ALA 104 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1rtv h ALA 104 CO 0.46 0.54 -0.08 0.93 0.00 0.00 0.00 179.25 181.10 1rtv h GLU 105 N 0.59 -0.23 0.00 0.00 3.07 -1.87 -3.29 114.58 112.85 1rtv h GLU 105 Ca 0.11 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1rtv h GLU 105 Cb 0.52 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1rtv h GLU 105 CO 0.03 0.15 0.00 -2.95 -1.40 0.00 0.00 179.01 174.84 1rtv h ASN 106 N -0.67 0.00 -1.05 1.42 7.08 -1.95 -3.47 115.58 116.94 1rtv h ASN 106 Ca -0.02 0.00 -0.36 0.00 -3.08 0.00 0.00 56.30 52.83 1rtv h ASN 106 Cb 0.48 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 36.58 1rtv h ASN 106 CO 0.04 0.00 -0.33 0.29 -2.08 0.00 0.00 177.43 175.35 1rtv n LYS 107 N -2.54 -1.44 -2.37 4.14 5.02 0.02 -4.88 118.16 116.11 1rtv n LYS 107 Ca 0.04 1.06 -0.33 0.00 -2.02 0.00 0.00 58.31 57.07 1rtv n LYS 107 Cb 0.43 -5.41 -0.02 0.00 -0.02 0.00 0.00 35.03 30.00 1rtv n LYS 107 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rtv s ARG 108 N -3.48 3.76 0.08 1.97 0.52 -1.26 -4.33 118.95 116.21 1rtv s ARG 108 Ca 0.00 1.12 0.01 0.00 -0.52 0.00 0.00 55.73 56.35 1rtv s ARG 108 Cb 0.00 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1rtv s ARG 108 CO 0.00 -0.44 -0.06 -0.65 0.02 0.00 0.00 175.30 174.17 1rtv s GLN 109 N -3.82 0.75 -0.03 3.54 -0.21 -0.57 -4.48 119.66 114.84 1rtv s GLN 109 Ca 0.62 -1.22 0.05 0.00 0.02 0.00 0.00 55.36 54.82 1rtv s GLN 109 Cb -0.13 -0.16 -0.01 0.00 1.00 0.00 0.00 33.01 33.72 1rtv s GLN 109 CO 0.29 -0.02 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.62 1rtv s MET 110 N -3.48 1.68 -0.23 2.91 -1.94 -0.85 -0.57 119.30 116.83 1rtv s MET 110 Ca 0.08 -0.63 -0.12 0.00 -1.71 0.00 0.00 55.69 53.30 1rtv s MET 110 Cb 0.03 -1.51 -0.05 0.00 2.01 0.00 0.00 34.83 35.31 1rtv s MET 110 CO -0.05 0.30 0.25 -0.46 -0.01 0.00 0.00 175.02 175.05 1rtv s TRP 111 N -0.13 3.34 -0.35 -0.03 -0.11 -0.05 -1.08 118.94 120.54 1rtv s TRP 111 Ca -0.00 0.37 0.02 0.00 1.22 0.00 0.00 56.10 57.71 1rtv s TRP 111 Cb -0.10 -2.36 0.10 0.00 -1.50 0.00 0.00 33.47 29.61 1rtv s TRP 111 CO 0.01 0.04 0.09 0.42 -4.62 0.00 0.00 176.95 172.89 1rtv s ILE 112 N 1.15 1.72 1.04 5.86 1.01 0.15 -2.68 121.20 129.45 1rtv s ILE 112 Ca 0.12 -2.07 -0.12 0.00 0.00 0.00 0.00 60.65 58.58 1rtv s ILE 112 Cb -0.14 -2.27 0.22 0.00 0.01 0.00 0.00 42.46 40.28 1rtv s ILE 112 CO 0.06 -0.66 1.08 -2.84 0.00 0.00 0.00 174.94 172.58 1rtv s PRO 113 N 1.05 0.02 0.34 2.79 0.02 -1.26 -0.21 135.00 137.76 1rtv s PRO 113 Ca 0.11 1.14 -0.27 0.00 0.02 0.00 0.00 61.00 62.01 1rtv s PRO 113 Cb -0.19 -1.64 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1rtv s PRO 113 CO -0.13 -3.18 1.07 0.00 -0.33 0.00 0.00 177.00 174.43 1rtv n ALA 114 N -4.57 0.24 0.00 -1.55 0.00 -1.21 -2.90 120.51 110.52 1rtv n ALA 114 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1rtv n ALA 114 Cb 0.53 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1rtv n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rtv n GLY 115 N 1.11 0.50 3.54 0.00 0.00 -1.26 -4.96 105.19 104.12 1rtv n GLY 115 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1rtv n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rtv s PHE 116 N -2.00 2.48 0.06 1.61 0.08 -1.14 -0.95 117.98 118.12 1rtv s PHE 116 Ca 0.00 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1rtv s PHE 116 Cb 0.00 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1rtv s PHE 116 CO 0.00 0.64 0.17 0.00 -0.10 0.00 0.00 175.22 175.93 1rtv s ALA 117 N -2.27 3.88 0.05 5.36 0.00 0.40 -4.70 121.76 124.49 1rtv s ALA 117 Ca 0.29 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1rtv s ALA 117 Cb -0.06 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1rtv s ALA 117 CO 0.16 0.80 -0.16 -1.58 0.00 0.00 0.00 175.76 174.99 1rtv s HIS 118 N -1.46 1.36 0.09 0.00 2.46 0.36 -1.13 115.29 116.97 1rtv s HIS 118 Ca 0.33 -0.38 -0.26 0.00 0.47 0.00 0.00 55.06 55.22 1rtv s HIS 118 Cb -0.13 -0.79 0.08 0.00 -0.13 0.00 0.00 32.58 31.61 1rtv s HIS 118 CO 0.25 0.06 0.72 0.20 -2.47 0.00 0.00 174.74 173.51 1rtv s GLY 119 N -1.30 -0.55 -0.00 1.59 0.00 -0.68 -0.73 107.32 105.64 1rtv s GLY 119 Ca 0.02 0.73 -0.22 0.00 0.00 0.00 0.00 44.72 45.25 1rtv s GLY 119 CO 0.02 0.25 0.49 -0.11 0.00 0.00 0.00 173.10 173.75 1rtv s PHE 120 N -3.43 -0.40 0.00 1.90 -0.12 -0.93 0.70 117.98 115.70 1rtv s PHE 120 Ca 0.02 0.57 0.08 0.00 -0.05 0.00 0.00 56.93 57.56 1rtv s PHE 120 Cb -0.01 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 1rtv s PHE 120 CO -0.11 -0.54 -0.25 0.54 -0.05 0.00 0.00 175.22 174.81 1rtv s VAL 121 N -1.72 1.97 -0.04 -2.49 0.11 -0.72 -1.90 120.40 115.60 1rtv s VAL 121 Ca -0.10 -1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 57.57 1rtv s VAL 121 Cb -0.02 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1rtv s VAL 121 CO 0.04 0.48 0.74 -0.69 -3.33 0.00 0.00 175.10 172.34 1rtv s VAL 122 N -0.65 4.99 -0.05 2.04 1.01 -0.45 -1.65 120.40 125.63 1rtv s VAL 122 Ca 0.10 1.54 0.15 0.00 0.00 0.00 0.00 61.98 63.76 1rtv s VAL 122 Cb -0.10 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.98 1rtv s VAL 122 CO -0.00 0.26 0.27 0.18 0.00 0.00 0.00 175.10 175.81 1rtv n LEU 123 N 3.65 0.00 -4.99 3.92 4.77 -0.03 -0.56 117.00 123.76 1rtv n LEU 123 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1rtv n LEU 123 Cb 0.51 0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1rtv n LEU 123 CO 0.48 0.08 0.32 -0.94 -1.33 0.00 0.00 177.39 175.99 1rtv s SER 124 N -4.00 5.27 0.30 -1.43 1.04 -1.16 -4.88 113.70 108.84 1rtv s SER 124 Ca -0.06 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1rtv s SER 124 Cb 0.09 -0.56 0.79 0.00 0.10 0.00 0.00 66.02 66.43 1rtv s SER 124 CO 0.63 -1.13 1.69 -0.08 0.98 0.00 0.00 173.24 175.33 1rtv h GLU 125 N 0.20 0.38 -2.86 4.02 4.81 -1.95 -3.20 114.58 115.98 1rtv h GLU 125 Ca -0.39 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.71 1rtv h GLU 125 Cb 1.29 -0.09 -0.20 0.00 0.63 0.00 0.00 28.75 30.38 1rtv h GLU 125 CO 0.47 0.25 -0.20 0.71 -0.73 0.00 0.00 179.01 179.51 1rtv s TYR 126 N -5.85 -0.27 -0.00 0.92 1.51 -1.26 -1.80 117.35 110.60 1rtv s TYR 126 Ca -0.11 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1rtv s TYR 126 Cb 0.26 0.15 -0.01 0.00 -0.11 0.00 0.00 41.96 42.25 1rtv s TYR 126 CO 0.78 -0.42 -0.06 0.00 -1.11 0.00 0.00 175.55 174.74 1rtv s ALA 127 N -1.24 0.52 -0.18 3.71 0.00 0.35 -4.15 121.76 120.78 1rtv s ALA 127 Ca -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1rtv s ALA 127 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1rtv s ALA 127 CO 0.05 0.12 -0.10 -1.21 0.00 0.00 0.00 175.76 174.62 1rtv s GLU 128 N -0.26 3.35 -0.08 0.00 2.02 0.13 -1.57 118.70 122.30 1rtv s GLU 128 Ca 0.02 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.39 1rtv s GLU 128 Cb -0.03 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.39 1rtv s GLU 128 CO -0.00 -0.01 -0.24 0.12 0.02 0.00 0.00 175.26 175.14 1rtv s PHE 129 N 0.94 2.49 -0.00 1.61 5.36 -0.31 -1.75 117.98 126.32 1rtv s PHE 129 Ca -0.02 -0.88 0.02 0.00 -0.96 0.00 0.00 56.93 55.09 1rtv s PHE 129 Cb -0.15 -1.65 -0.01 0.00 -0.34 0.00 0.00 43.02 40.88 1rtv s PHE 129 CO -0.00 -0.32 -0.07 -0.48 -1.46 0.00 0.00 175.22 172.89 1rtv s LEU 130 N 0.09 2.03 0.07 6.12 2.34 -0.55 -0.29 118.68 128.48 1rtv s LEU 130 Ca -0.11 -0.15 -0.04 0.00 0.06 0.00 0.00 54.13 53.89 1rtv s LEU 130 Cb -0.16 -0.33 -0.03 0.00 -0.56 0.00 0.00 46.19 45.11 1rtv s LEU 130 CO 0.06 0.06 0.05 -0.72 -1.06 0.00 0.00 176.35 174.74 1rtv s TYR 131 N -0.25 0.40 -0.11 3.48 -0.85 -0.25 -1.42 117.35 118.35 1rtv s TYR 131 Ca 0.02 -0.90 0.00 0.00 -0.52 0.00 0.00 57.07 55.67 1rtv s TYR 131 Cb -0.03 -0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.01 1rtv s TYR 131 CO -0.00 -0.44 -0.12 0.15 -1.52 0.00 0.00 175.55 173.62 1rtv s LYS 132 N -3.90 3.20 0.26 -3.49 1.02 -0.26 -1.29 119.74 115.28 1rtv s LYS 132 Ca 0.07 -0.66 0.11 0.00 0.02 0.00 0.00 55.97 55.51 1rtv s LYS 132 Cb 0.07 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 1rtv s LYS 132 CO -0.10 0.33 -0.19 0.95 -0.92 0.00 0.00 175.35 175.42 1rtv s THR 133 N 0.06 2.33 -2.06 2.17 -4.23 -0.83 -1.28 115.64 111.81 1rtv s THR 133 Ca -0.04 -2.36 0.26 0.00 -1.18 0.00 0.00 61.69 58.37 1rtv s THR 133 Cb -0.14 -2.24 0.26 0.00 1.34 0.00 0.00 72.50 71.72 1rtv s THR 133 CO 0.04 -0.43 1.48 0.35 -0.54 0.00 0.00 174.62 175.52 1rtv n THR 134 N -0.54 0.00 -3.48 3.99 -2.24 -1.09 -1.21 114.28 109.71 1rtv n THR 134 Ca -0.06 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1rtv n THR 134 Cb 0.60 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1rtv n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rtv s ASP 135 N -2.36 -0.51 0.31 3.42 3.68 -1.26 -4.58 116.67 115.37 1rtv s ASP 135 Ca 0.26 0.03 -0.27 0.00 2.13 0.00 0.00 52.55 54.69 1rtv s ASP 135 Cb 0.19 0.56 -0.09 0.00 -1.45 0.00 0.00 42.92 42.13 1rtv s ASP 135 CO 0.48 -0.90 1.03 -0.36 0.13 0.00 0.00 175.17 175.55 1rtv s PHE 136 N -3.41 3.60 -0.19 -5.34 0.40 -1.26 -4.87 117.98 106.90 1rtv s PHE 136 Ca -0.00 1.74 -0.29 0.00 -0.60 0.00 0.00 56.93 57.78 1rtv s PHE 136 Cb -0.00 -3.11 -0.04 0.00 0.51 0.00 0.00 43.02 40.37 1rtv s PHE 136 CO -0.10 -0.23 1.76 -0.46 0.70 0.00 0.00 175.22 176.89 1rtv s TRP 137 N -1.39 1.85 -0.25 0.36 -0.00 -1.26 -4.97 118.94 113.28 1rtv s TRP 137 Ca 0.48 0.42 0.02 0.00 -0.00 0.00 0.00 56.10 57.02 1rtv s TRP 137 Cb -0.26 -4.02 0.05 0.00 -0.00 0.00 0.00 33.47 29.25 1rtv s TRP 137 CO 0.32 -3.44 -0.11 0.00 -0.00 0.00 0.00 176.95 173.72 1rtv s ALA 138 N 5.64 2.56 0.46 5.86 0.00 -1.26 -5.00 121.76 130.02 1rtv s ALA 138 Ca 0.78 -1.66 0.20 0.00 0.00 0.00 0.00 51.96 51.27 1rtv s ALA 138 Cb -0.28 -1.56 1.18 0.00 0.00 0.00 0.00 23.12 22.46 1rtv s ALA 138 CO 0.32 -1.05 1.94 -1.35 0.00 0.00 0.00 175.76 175.62 1rtv h PRO 139 N 7.83 0.26 0.00 0.00 0.11 -1.94 -1.16 132.00 137.10 1rtv h PRO 139 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1rtv h PRO 139 Cb 1.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1rtv h PRO 139 CO 0.50 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.61 1rtv n GLU 140 N -4.44 0.33 0.00 1.05 0.00 -1.26 -2.93 120.64 113.39 1rtv n GLU 140 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1rtv n GLU 140 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1rtv n GLU 140 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1rtv n HIS 141 N -1.23 0.00 -2.76 -1.84 8.25 -0.49 -5.03 115.22 112.13 1rtv n HIS 141 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1rtv n HIS 141 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1rtv n HIS 141 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1rtv s GLU 142 N -0.19 4.43 0.54 -0.41 2.12 -0.91 -4.00 118.70 120.27 1rtv s GLU 142 Ca 0.00 1.29 0.09 0.00 0.36 0.00 0.00 54.97 56.71 1rtv s GLU 142 Cb 0.00 -3.52 0.06 0.00 0.26 0.00 0.00 34.13 30.93 1rtv s GLU 142 CO 0.00 -0.23 0.68 1.03 -0.54 0.00 0.00 175.26 176.20 1rtv s ARG 143 N 1.72 2.40 -0.19 4.30 1.81 0.13 -4.94 118.95 124.18 1rtv s ARG 143 Ca 0.46 -1.62 -0.16 0.00 -1.72 0.00 0.00 55.73 52.69 1rtv s ARG 143 Cb -0.18 -2.58 0.05 0.00 -0.45 0.00 0.00 34.95 31.79 1rtv s ARG 143 CO 0.19 -0.69 0.51 0.00 -0.68 0.00 0.00 175.30 174.63 1rtv s ILE 145 N 0.54 3.68 0.18 0.00 1.01 -0.10 -0.61 121.20 125.89 1rtv s ILE 145 Ca -0.02 -0.44 -0.33 0.00 0.00 0.00 0.00 60.65 59.85 1rtv s ILE 145 Cb -0.04 -2.59 -0.14 0.00 0.01 0.00 0.00 42.46 39.70 1rtv s ILE 145 CO -0.03 0.51 1.59 0.55 0.00 0.00 0.00 174.94 177.56 1rtv n VAL 146 N 3.41 0.08 -0.31 2.92 3.14 0.74 -4.22 118.33 124.08 1rtv n VAL 146 Ca -0.18 -0.02 0.13 0.00 -2.96 0.00 0.00 64.34 61.31 1rtv n VAL 146 Cb 0.53 -1.61 0.31 0.00 -1.06 0.00 0.00 33.84 32.01 1rtv n VAL 146 CO 0.00 0.00 0.00 4.11 -6.46 0.00 0.00 176.83 174.48 1rtv h TRP 147 N 5.92 0.73 -0.69 1.45 5.08 -1.82 -2.33 115.95 124.27 1rtv h TRP 147 Ca -0.45 0.04 -0.29 0.00 1.08 0.00 0.00 58.89 59.27 1rtv h TRP 147 Cb 1.25 -0.18 -0.18 0.00 -3.00 0.00 0.00 29.16 27.05 1rtv h TRP 147 CO 0.62 0.01 0.37 0.27 -1.28 0.00 0.00 178.44 178.43 1rtv n ASN 148 N -4.99 3.93 -4.66 0.11 6.94 -1.26 -4.73 115.26 110.60 1rtv n ASN 148 Ca 0.22 -3.12 -0.52 0.00 -0.02 0.00 0.00 54.58 51.14 1rtv n ASN 148 Cb 0.63 -0.73 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 1rtv n ASN 148 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1rtv n ASP 149 N -0.43 2.38 -0.24 0.53 -0.08 -0.88 -4.86 116.55 112.97 1rtv n ASP 149 Ca 0.40 1.08 0.06 0.00 -1.51 0.00 0.00 54.79 54.82 1rtv n ASP 149 Cb 1.31 -1.23 0.32 0.00 2.34 0.00 0.00 41.12 43.86 1rtv n ASP 149 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rtv h PRO 150 N 6.36 0.81 0.20 -0.67 0.11 -1.93 0.73 132.00 137.62 1rtv h PRO 150 Ca -0.47 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.27 1rtv h PRO 150 Cb 1.31 -0.18 0.04 0.00 0.11 0.00 0.00 31.00 32.27 1rtv h PRO 150 CO 0.88 0.54 -1.39 0.93 -0.21 0.00 0.00 178.00 178.75 1rtv h GLU 151 N 0.84 0.57 -0.57 1.05 5.08 -2.01 -3.20 114.58 116.34 1rtv h GLU 151 Ca 0.36 -0.89 -0.09 0.00 -1.00 0.00 0.00 59.36 57.74 1rtv h GLU 151 Cb 0.31 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1rtv h GLU 151 CO -0.13 1.42 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.22 1rtv h LEU 152 N 0.20 0.96 -2.54 1.33 3.38 -1.86 -3.47 115.31 113.32 1rtv h LEU 152 Ca -0.23 -0.27 -0.50 0.00 0.09 0.00 0.00 57.88 56.97 1rtv h LEU 152 Cb 2.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1rtv h LEU 152 CO 0.26 1.02 -0.92 1.17 0.09 0.00 0.00 178.44 180.06 1rtv n LYS 153 N -4.18 -2.16 -2.13 1.13 3.00 0.24 -4.87 118.16 109.19 1rtv n LYS 153 Ca 0.03 0.36 -0.40 0.00 -0.00 0.00 0.00 58.31 58.30 1rtv n LYS 153 Cb 0.34 -4.11 -0.01 0.00 0.00 0.00 0.00 35.03 31.25 1rtv n LYS 153 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1rtv s ILE 154 N -3.80 2.76 -1.38 3.15 1.01 -1.26 -4.94 121.20 116.73 1rtv s ILE 154 Ca 0.20 0.71 -0.09 0.00 0.00 0.00 0.00 60.65 61.46 1rtv s ILE 154 Cb -0.08 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 39.05 1rtv s ILE 154 CO 0.90 0.13 2.25 -0.67 0.00 0.00 0.00 174.94 177.55 1rtv n ASP 155 N 0.41 6.17 -4.55 3.58 -0.08 -1.26 -4.96 116.55 115.86 1rtv n ASP 155 Ca 0.02 -2.98 -0.35 0.00 -1.51 0.00 0.00 54.79 49.98 1rtv n ASP 155 Cb 0.43 -1.50 -0.04 0.00 2.34 0.00 0.00 41.12 42.36 1rtv n ASP 155 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1rtv s TRP 156 N 0.86 1.55 0.00 -0.67 0.52 -1.26 -4.76 118.94 115.18 1rtv s TRP 156 Ca 0.50 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.58 1rtv s TRP 156 Cb 0.14 -3.95 0.00 0.00 -1.15 0.00 0.00 33.47 28.51 1rtv s TRP 156 CO -0.05 -2.21 0.00 -2.30 0.02 0.00 0.00 176.95 172.41 1rtv n PRO 157 N 9.08 0.00 -0.68 4.98 -0.02 -1.26 -4.61 135.00 142.49 1rtv n PRO 157 Ca 0.28 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.48 1rtv n PRO 157 Cb 0.51 -0.89 0.24 0.00 -0.02 0.00 0.00 33.50 33.34 1rtv n PRO 157 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rtv s LEU 158 N -0.58 0.98 -0.37 2.45 1.43 -1.26 -5.02 118.68 116.32 1rtv s LEU 158 Ca 0.00 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1rtv s LEU 158 Cb 0.00 -3.40 0.25 0.00 0.03 0.00 0.00 46.19 43.07 1rtv s LEU 158 CO 0.00 -4.00 1.12 1.67 0.23 0.00 0.00 176.35 175.37 1rtv n GLN 159 N -4.77 0.25 0.00 1.70 7.27 -1.26 -5.11 117.38 115.45 1rtv n GLN 159 Ca 0.03 -0.96 0.00 0.00 0.07 0.00 0.00 57.00 56.15 1rtv n GLN 159 Cb 0.55 -0.41 0.00 0.00 2.41 0.00 0.00 30.24 32.79 1rtv n GLN 159 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1rtv n ASP 160 N 1.88 0.00 -4.65 1.69 9.92 -1.26 -5.10 116.55 119.03 1rtv n ASP 160 Ca 0.06 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.89 1rtv n ASP 160 Cb 0.67 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.13 1rtv n ASP 160 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rtv s ALA 161 N -2.00 3.53 0.06 2.24 0.00 -1.26 -4.97 121.76 119.36 1rtv s ALA 161 Ca 0.00 0.61 -0.27 0.00 0.00 0.00 0.00 51.96 52.30 1rtv s ALA 161 Cb 0.00 -3.74 -0.14 0.00 0.00 0.00 0.00 23.12 19.24 1rtv s ALA 161 CO 0.00 -1.49 0.65 -2.30 0.00 0.00 0.00 175.76 172.62 1rtv n PRO 162 N 7.11 0.00 -3.10 0.00 -0.02 -1.26 -4.97 135.00 132.76 1rtv n PRO 162 Ca 0.16 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.21 1rtv n PRO 162 Cb 0.44 -1.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.87 1rtv n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rtv s LEU 163 N 0.97 4.83 0.19 2.45 1.02 -0.76 -4.94 118.68 122.44 1rtv s LEU 163 Ca 0.62 -0.83 0.05 0.00 0.02 0.00 0.00 54.13 53.98 1rtv s LEU 163 Cb -0.87 -2.50 -0.04 0.00 0.02 0.00 0.00 46.19 42.80 1rtv s LEU 163 CO 0.44 -0.95 0.19 -0.76 0.02 0.00 0.00 176.35 175.28 1rtv s LEU 164 N 2.85 3.93 0.66 1.79 1.43 -1.26 -2.95 118.68 125.12 1rtv s LEU 164 Ca 0.17 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 1rtv s LEU 164 Cb -0.18 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 1rtv s LEU 164 CO 0.13 0.03 1.05 -0.94 0.23 0.00 0.00 176.35 176.85 1rtv s SER 165 N -3.34 5.61 0.15 2.29 1.04 -1.26 -4.90 113.70 113.29 1rtv s SER 165 Ca 0.32 1.61 -0.17 0.00 0.48 0.00 0.00 55.95 58.19 1rtv s SER 165 Cb -0.10 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.58 1rtv s SER 165 CO 0.25 -1.29 1.72 -0.08 0.98 0.00 0.00 173.24 174.82 1rtv h GLU 166 N -0.45 0.12 -0.62 4.02 4.57 -1.99 -1.47 114.58 118.75 1rtv h GLU 166 Ca -0.44 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 57.86 1rtv h GLU 166 Cb 1.21 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.68 1rtv h GLU 166 CO 0.58 0.08 0.09 0.87 -1.18 0.00 0.00 179.01 179.44 1rtv h LYS 167 N 0.12 0.20 0.00 1.92 1.57 -1.97 0.13 116.57 118.54 1rtv h LYS 167 Ca 0.15 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1rtv h LYS 167 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1rtv h LYS 167 CO -0.24 0.13 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.05 1rtv h ASP 168 N 0.21 0.00 0.06 0.86 3.32 -1.81 -2.31 116.42 116.75 1rtv h ASP 168 Ca 0.33 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 1rtv h ASP 168 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1rtv h ASP 168 CO -0.46 0.29 -0.51 0.03 -1.72 0.00 0.00 179.24 176.87 1rtv h ARG 169 N 0.00 0.50 -0.16 3.56 2.47 0.01 -2.83 114.38 117.93 1rtv h ARG 169 Ca -0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1rtv h ARG 169 Cb 0.96 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 1rtv h ARG 169 CO 0.04 0.89 0.00 1.04 0.56 0.00 0.00 179.97 182.49 1rtv n GLN 170 N -3.97 1.37 -1.54 0.04 6.02 -0.15 -4.95 117.38 114.21 1rtv n GLN 170 Ca -0.03 -0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 55.98 1rtv n GLN 170 Cb 0.57 -1.14 0.02 0.00 1.02 0.00 0.00 30.24 30.71 1rtv n GLN 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rtv n GLY 171 N 0.77 -0.84 3.78 1.08 0.00 -1.07 -4.96 105.19 103.97 1rtv n GLY 171 Ca 0.06 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1rtv n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rtv s LYS 172 N -1.96 3.38 0.20 1.61 -0.14 0.22 -4.03 119.74 119.03 1rtv s LYS 172 Ca 0.65 1.43 -0.30 0.00 -1.36 0.00 0.00 55.97 56.40 1rtv s LYS 172 Cb -0.54 -2.03 -0.08 0.00 -1.68 0.00 0.00 37.83 33.50 1rtv s LYS 172 CO 0.56 -0.79 1.08 0.00 -0.76 0.00 0.00 175.35 175.44 1rtv s ALA 173 N -2.05 3.37 0.34 5.17 0.00 -1.26 -0.19 121.76 127.15 1rtv s ALA 173 Ca 0.69 0.81 0.13 0.00 0.00 0.00 0.00 51.96 53.59 1rtv s ALA 173 Cb -0.20 -3.33 1.05 0.00 0.00 0.00 0.00 23.12 20.64 1rtv s ALA 173 CO 0.29 -0.16 1.64 0.35 0.00 0.00 0.00 175.76 177.88 1rtv h PHE 174 N 4.77 0.76 -0.52 0.00 3.57 -1.94 0.38 116.94 123.96 1rtv h PHE 174 Ca -0.45 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.14 1rtv h PHE 174 Cb 1.21 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1rtv h PHE 174 CO 0.62 -0.25 0.34 0.00 -2.23 0.00 0.00 178.31 176.79 1rtv h ALA 175 N 1.87 1.82 -0.07 2.41 0.00 -2.03 -2.40 119.26 120.86 1rtv h ALA 175 Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1rtv h ALA 175 Cb 1.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1rtv h ALA 175 CO -0.66 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.45 1rtv n ASP 176 N -4.47 2.86 -4.70 0.00 8.00 0.13 -4.98 116.55 113.38 1rtv n ASP 176 Ca 0.06 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 1rtv n ASP 176 Cb 0.19 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1rtv n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rtv s ALA 177 N -1.95 3.42 0.41 2.24 0.00 -0.88 -4.94 121.76 120.06 1rtv s ALA 177 Ca 0.30 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 1rtv s ALA 177 Cb 0.20 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1rtv s ALA 177 CO 0.31 -0.59 1.21 -0.51 0.00 0.00 0.00 175.76 176.18 1rtv s ASP 178 N 1.28 6.39 0.33 0.00 1.01 -1.26 -5.01 116.67 119.40 1rtv s ASP 178 Ca 0.57 2.44 0.00 0.00 0.71 0.00 0.00 52.55 56.26 1rtv s ASP 178 Cb -0.26 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.05 1rtv s ASP 178 CO 0.25 -0.78 0.00 0.00 0.21 0.00 0.00 175.17 174.86 1rtv s PHE 180 N -2.20 3.58 -0.58 0.00 0.40 -1.01 -5.00 117.98 113.16 1rtv s PHE 180 Ca 0.00 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 1rtv s PHE 180 Cb 0.00 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.48 1rtv s PHE 180 CO 0.00 -0.06 0.15 -2.30 0.70 0.00 0.00 175.22 173.71