#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7i1b n PRO 2 N 0.00 0.64 -1.23 0.00 -0.04 -1.26 -4.73 135.00 128.38 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7i1b n VAL 3 N 1.29 0.00 -3.98 0.52 0.31 -1.26 -4.90 118.33 110.31 7i1b n VAL 3 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 7i1b n VAL 3 Cb 0.32 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.10 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 7i1b s ARG 4 N -0.84 1.79 0.75 5.55 1.81 -1.26 -5.09 118.95 121.64 7i1b s ARG 4 Ca 0.00 -1.14 -0.01 0.00 -1.72 0.00 0.00 55.73 52.86 7i1b s ARG 4 Cb 0.00 -2.70 0.15 0.00 -0.45 0.00 0.00 34.95 31.95 7i1b s ARG 4 CO 0.00 -0.61 1.02 0.43 -0.68 0.00 0.00 175.30 175.46 7i1b n SER 5 N 4.58 1.27 -3.26 0.23 7.64 -1.26 -2.82 113.62 120.01 7i1b n SER 5 Ca -0.12 -2.10 0.03 0.00 1.01 0.00 0.00 58.87 57.70 7i1b n SER 5 Cb 0.43 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 7i1b n SER 5 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 7i1b s LEU 6 N 0.00 -0.96 -0.14 -3.43 2.96 0.24 -4.90 118.68 112.46 7i1b s LEU 6 Ca 0.67 0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 7i1b s LEU 6 Cb -0.04 1.88 -0.02 0.00 0.50 0.00 0.00 46.19 48.51 7i1b s LEU 6 CO 0.45 -0.18 1.29 0.20 -1.32 0.00 0.00 176.35 176.79 7i1b s ASN 7 N 2.83 6.93 -0.06 3.68 0.01 -1.26 0.54 114.94 127.60 7i1b s ASN 7 Ca 0.07 1.76 -0.18 0.00 -0.71 0.00 0.00 52.86 53.80 7i1b s ASN 7 Cb -0.12 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.04 7i1b s ASN 7 CO -0.17 -0.76 0.42 0.00 -1.51 0.00 0.00 177.10 175.08 7i1b s THR 9 N -0.94 5.27 -0.04 0.00 -4.23 -0.85 -1.97 115.64 112.89 7i1b s THR 9 Ca -0.10 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 7i1b s THR 9 Cb -0.04 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 7i1b s THR 9 CO 0.05 -0.13 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.20 7i1b s LEU 10 N -3.29 3.35 -0.01 4.79 1.43 -1.26 -2.19 118.68 121.50 7i1b s LEU 10 Ca 0.36 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 7i1b s LEU 10 Cb -0.11 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.28 7i1b s LEU 10 CO 0.29 0.32 -0.00 -0.60 0.23 0.00 0.00 176.35 176.59 7i1b s ARG 11 N -1.17 0.08 0.67 1.70 3.52 -0.45 -3.55 118.95 119.74 7i1b s ARG 11 Ca 0.16 0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.67 7i1b s ARG 11 Cb -0.11 -0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 7i1b s ARG 11 CO 0.05 -0.02 1.04 0.16 -0.81 0.00 0.00 175.30 175.72 7i1b s ASP 12 N 0.23 5.52 0.00 -2.12 -4.77 -0.52 -1.00 116.67 114.01 7i1b s ASP 12 Ca -0.02 1.02 0.07 0.00 -3.30 0.00 0.00 52.55 50.32 7i1b s ASP 12 Cb -0.03 -1.89 0.40 0.00 -1.09 0.00 0.00 42.92 40.31 7i1b s ASP 12 CO -0.01 -1.24 0.96 -1.54 0.70 0.00 0.00 175.17 174.05 7i1b n SER 13 N -2.87 0.00 -0.98 2.11 3.41 -1.26 -1.30 113.62 112.73 7i1b n SER 13 Ca 0.06 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 7i1b n SER 13 Cb 0.57 -0.11 0.24 0.00 -0.26 0.00 0.00 64.21 64.65 7i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 7i1b n GLN 14 N -1.11 2.30 -0.87 4.33 -0.06 -1.26 -4.92 117.38 115.80 7i1b n GLN 14 Ca 0.05 -1.94 0.00 0.00 -2.00 0.00 0.00 57.00 53.10 7i1b n GLN 14 Cb 0.04 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 7i1b n GLN 15 N 1.19 0.00 -2.65 3.69 7.27 -0.42 -5.03 117.38 121.43 7i1b n GLN 15 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.99 7i1b n GLN 15 Cb 0.54 -2.36 0.01 0.00 2.41 0.00 0.00 30.24 30.85 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 7i1b s LYS 16 N -0.13 3.17 0.34 3.69 1.02 -1.26 -4.70 119.74 121.87 7i1b s LYS 16 Ca 0.00 -0.07 0.06 0.00 0.02 0.00 0.00 55.97 55.99 7i1b s LYS 16 Cb 0.00 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.85 7i1b s LYS 16 CO 0.00 -0.41 -0.01 -1.12 -0.92 0.00 0.00 175.35 172.89 7i1b s SER 17 N -4.21 3.14 -0.03 2.83 0.01 -1.00 -1.44 113.70 113.00 7i1b s SER 17 Ca 0.50 -1.29 -0.15 0.00 1.31 0.00 0.00 55.95 56.32 7i1b s SER 17 Cb -0.10 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.83 7i1b s SER 17 CO 0.43 -0.42 0.39 -0.76 0.41 0.00 0.00 173.24 173.29 7i1b s LEU 18 N -3.56 4.44 -0.04 2.44 1.43 -1.23 -2.40 118.68 119.76 7i1b s LEU 18 Ca 0.33 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 7i1b s LEU 18 Cb 0.07 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.74 7i1b s LEU 18 CO 0.15 0.29 -0.10 0.68 0.23 0.00 0.00 176.35 177.60 7i1b s VAL 19 N -0.83 0.93 -1.06 -1.59 -7.23 0.11 -2.76 120.40 107.97 7i1b s VAL 19 Ca 0.23 -0.41 -0.23 0.00 -1.81 0.00 0.00 61.98 59.76 7i1b s VAL 19 Cb -0.16 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 7i1b s VAL 19 CO 0.12 0.29 1.81 0.00 -0.31 0.00 0.00 175.10 177.01 7i1b s MET 20 N 0.37 2.95 0.00 4.82 0.23 -1.26 0.01 119.30 126.43 7i1b s MET 20 Ca -0.07 -0.94 0.21 0.00 -1.03 0.00 0.00 55.69 53.87 7i1b s MET 20 Cb -0.11 -5.24 0.96 0.00 -1.53 0.00 0.00 34.83 28.91 7i1b s MET 20 CO 0.01 -3.14 1.69 0.43 -2.03 0.00 0.00 175.02 171.98 7i1b n SER 21 N 12.25 0.00 -3.17 -1.18 7.64 -1.02 -4.85 113.62 123.29 7i1b n SER 21 Ca 0.41 0.34 -0.08 0.00 1.01 0.00 0.00 58.87 60.55 7i1b n SER 21 Cb 0.48 -0.43 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 7i1b n SER 21 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 7i1b s GLY 22 N -2.87 0.24 0.04 0.23 0.00 -0.48 -4.99 107.32 99.51 7i1b s GLY 22 Ca 0.13 -0.62 -0.22 0.00 0.00 0.00 0.00 44.72 44.01 7i1b s GLY 22 CO 0.37 -0.14 1.34 -2.55 0.00 0.00 0.00 173.10 172.12 7i1b h PRO 23 N 2.00 -0.70 -0.75 2.90 0.11 -2.02 -3.20 132.00 130.34 7i1b h PRO 23 Ca -0.29 0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.41 7i1b h PRO 23 Cb 1.25 0.16 -0.26 0.00 0.11 0.00 0.00 31.00 32.26 7i1b h PRO 23 CO 0.36 -0.46 0.26 0.66 -0.21 0.00 0.00 178.00 178.61 7i1b n TYR 24 N -4.22 2.42 -3.71 0.65 4.01 -1.26 -4.93 117.16 110.12 7i1b n TYR 24 Ca -0.09 -2.14 -0.15 0.00 -0.16 0.00 0.00 57.90 55.37 7i1b n TYR 24 Cb 0.30 -0.85 -0.15 0.00 -0.31 0.00 0.00 39.34 38.34 7i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 7i1b s GLU 25 N -3.47 0.07 0.26 -0.72 2.02 -1.21 -4.45 118.70 111.20 7i1b s GLU 25 Ca 0.54 0.46 0.09 0.00 0.02 0.00 0.00 54.97 56.08 7i1b s GLU 25 Cb 0.45 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 7i1b s GLU 25 CO 0.03 -0.22 0.02 -0.51 0.02 0.00 0.00 175.26 174.60 7i1b s LEU 26 N 1.64 3.28 -0.00 1.80 1.02 -1.26 -1.38 118.68 123.77 7i1b s LEU 26 Ca -0.04 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.52 7i1b s LEU 26 Cb -0.12 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.29 7i1b s LEU 26 CO -0.06 -0.00 -0.00 -0.54 0.02 0.00 0.00 176.35 175.77 7i1b s LYS 27 N -3.67 0.01 -0.33 1.70 1.02 0.10 -2.44 119.74 116.13 7i1b s LYS 27 Ca 0.31 -0.00 -0.11 0.00 0.02 0.00 0.00 55.97 56.19 7i1b s LYS 27 Cb -0.07 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 7i1b s LYS 27 CO 0.20 -0.00 0.19 0.00 -0.92 0.00 0.00 175.35 174.82 7i1b s ALA 28 N 0.01 3.36 0.34 5.17 0.00 -1.11 0.10 121.76 129.62 7i1b s ALA 28 Ca -0.00 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.54 7i1b s ALA 28 Cb -0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 7i1b s ALA 28 CO -0.00 -0.98 0.41 -0.48 0.00 0.00 0.00 175.76 174.71 7i1b s LEU 29 N 1.64 1.25 -0.04 0.00 0.05 -1.01 -3.79 118.68 116.79 7i1b s LEU 29 Ca 0.05 -1.57 -0.30 0.00 0.05 0.00 0.00 54.13 52.35 7i1b s LEU 29 Cb -0.17 1.17 -0.05 0.00 -2.05 0.00 0.00 46.19 45.08 7i1b s LEU 29 CO 0.08 -1.22 1.47 -1.00 -0.55 0.00 0.00 176.35 175.12 7i1b s HIS 30 N -3.18 2.57 -0.26 3.48 3.76 -1.26 -2.39 115.29 118.01 7i1b s HIS 30 Ca 0.34 0.63 -0.05 0.00 -0.15 0.00 0.00 55.06 55.84 7i1b s HIS 30 Cb 0.01 -3.73 0.01 0.00 1.11 0.00 0.00 32.58 29.97 7i1b s HIS 30 CO 0.23 -2.83 0.01 -1.17 -0.85 0.00 0.00 174.74 170.13 7i1b s LEU 31 N 3.08 3.38 -0.04 0.89 2.96 -1.26 -4.95 118.68 122.74 7i1b s LEU 31 Ca 0.66 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 53.62 7i1b s LEU 31 Cb -0.31 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 44.67 7i1b s LEU 31 CO 0.26 -0.12 0.68 -1.58 -1.32 0.00 0.00 176.35 174.27 7i1b s GLN 32 N 1.45 1.07 0.66 1.98 0.74 -1.26 -4.95 119.66 119.35 7i1b s GLN 32 Ca 0.03 0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.63 7i1b s GLN 32 Cb -0.16 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.45 7i1b s GLN 32 CO -0.01 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 7i1b n GLY 33 N 0.79 -2.14 0.45 2.59 0.00 -1.26 -3.81 105.19 101.82 7i1b n GLY 33 Ca -0.19 -1.46 0.26 0.00 0.00 0.00 0.00 46.02 44.63 7i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 3.07 -2.05 0.48 115.11 118.21 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 7i1b h GLN 34 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.45 7i1b n ASP 35 N -3.77 0.00 0.00 0.06 2.03 -1.25 -1.79 116.55 111.83 7i1b n ASP 35 Ca 0.15 0.04 0.06 0.00 0.52 0.00 0.00 54.79 55.57 7i1b n ASP 35 Cb 0.96 -0.06 0.38 0.00 -0.72 0.00 0.00 41.12 41.68 7i1b n ASP 35 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 7i1b n MET 36 N -1.06 0.81 0.09 -0.67 0.00 0.17 -2.97 117.12 113.49 7i1b n MET 36 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.69 7i1b n MET 36 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 33.22 31.93 7i1b n MET 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 7i1b h GLU 37 N 0.00 0.00 -1.00 3.17 4.11 -1.60 -3.20 114.58 116.07 7i1b h GLU 37 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 7i1b h GLU 37 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 7i1b h GLU 37 CO 0.00 0.67 0.00 0.00 0.07 0.00 0.00 179.01 179.75 7i1b n GLN 38 N -3.23 1.04 -2.52 1.06 10.64 -1.16 -4.83 117.38 118.37 7i1b n GLN 38 Ca -0.01 -0.04 -0.42 0.00 -1.83 0.00 0.00 57.00 54.70 7i1b n GLN 38 Cb 0.83 -1.26 -0.03 0.00 -0.86 0.00 0.00 30.24 28.92 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 7i1b s GLN 39 N -0.54 4.43 0.83 2.61 -2.07 -1.21 -4.31 119.66 119.41 7i1b s GLN 39 Ca 0.01 1.62 -0.12 0.00 -1.82 0.00 0.00 55.36 55.05 7i1b s GLN 39 Cb 0.01 -3.46 0.09 0.00 -1.09 0.00 0.00 33.01 28.55 7i1b s GLN 39 CO 0.00 -0.28 1.10 0.08 -1.32 0.00 0.00 175.29 174.87 7i1b s VAL 40 N 1.54 2.84 -0.24 3.63 1.01 -1.11 -4.98 120.40 123.08 7i1b s VAL 40 Ca 0.55 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 7i1b s VAL 40 Cb -0.25 -2.98 0.10 0.00 0.00 0.00 0.00 36.38 33.25 7i1b s VAL 40 CO 0.25 -0.36 0.18 -0.69 0.00 0.00 0.00 175.10 174.49 7i1b s VAL 41 N -3.15 -0.21 -0.08 2.92 1.01 -1.26 -4.73 120.40 114.90 7i1b s VAL 41 Ca 0.62 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 7i1b s VAL 41 Cb -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 7i1b s VAL 41 CO 0.54 -0.43 0.33 -0.36 0.00 0.00 0.00 175.10 175.19 7i1b s PHE 42 N 2.23 3.60 -0.68 5.22 0.40 -0.83 -1.57 117.98 126.35 7i1b s PHE 42 Ca 0.07 0.78 -0.19 0.00 -0.60 0.00 0.00 56.93 56.99 7i1b s PHE 42 Cb -0.15 -2.27 0.11 0.00 0.51 0.00 0.00 43.02 41.22 7i1b s PHE 42 CO -0.23 0.49 0.82 0.45 0.70 0.00 0.00 175.22 177.45 7i1b s SER 43 N -0.43 6.30 0.51 1.36 0.15 0.12 -1.18 113.70 120.53 7i1b s SER 43 Ca 0.20 -1.56 -0.21 0.00 0.70 0.00 0.00 55.95 55.08 7i1b s SER 43 Cb -0.15 -2.33 -0.06 0.00 -1.71 0.00 0.00 66.02 61.77 7i1b s SER 43 CO 0.08 -1.12 1.15 -0.32 1.20 0.00 0.00 173.24 174.24 7i1b s MET 44 N 2.72 3.52 -0.04 5.44 1.75 0.19 -2.64 119.30 130.24 7i1b s MET 44 Ca 0.17 1.71 -0.00 0.00 -1.25 0.00 0.00 55.69 56.32 7i1b s MET 44 Cb -0.19 -2.19 0.03 0.00 2.84 0.00 0.00 34.83 35.32 7i1b s MET 44 CO 0.03 -0.74 0.01 -1.12 -0.65 0.00 0.00 175.02 172.55 7i1b s SER 45 N -1.56 0.79 -0.60 1.11 0.01 -0.46 0.82 113.70 113.81 7i1b s SER 45 Ca 0.69 -0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.64 7i1b s SER 45 Cb -0.27 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.72 7i1b s SER 45 CO 0.31 -0.14 1.24 -0.36 0.41 0.00 0.00 173.24 174.70 7i1b s PHE 46 N 1.35 2.52 0.20 2.43 0.08 -1.13 -0.99 117.98 122.45 7i1b s PHE 46 Ca -0.05 0.37 0.02 0.00 0.12 0.00 0.00 56.93 57.39 7i1b s PHE 46 Cb -0.13 -4.51 0.02 0.00 -0.57 0.00 0.00 43.02 37.82 7i1b s PHE 46 CO -0.02 -1.70 0.16 1.33 -0.10 0.00 0.00 175.22 174.88 7i1b n VAL 47 N 6.67 0.00 -3.57 -0.44 0.24 -0.94 -4.69 118.33 115.60 7i1b n VAL 47 Ca 0.08 -0.79 -0.32 0.00 -2.04 0.00 0.00 64.34 61.27 7i1b n VAL 47 Cb 0.49 -0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 32.46 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 7i1b s GLN 48 N -2.83 3.69 0.00 7.34 -0.21 -0.95 -4.61 119.66 122.09 7i1b s GLN 48 Ca 0.12 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.55 7i1b s GLN 48 Cb -0.01 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.23 7i1b s GLN 48 CO 0.08 0.40 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 7i1b n GLY 49 N -0.02 -0.91 3.53 3.09 0.00 -1.26 -4.65 105.19 104.96 7i1b n GLY 49 Ca -0.01 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 7i1b n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 7i1b n GLU 50 N 0.00 0.32 -2.70 1.61 1.02 -1.26 -4.85 120.64 114.77 7i1b n GLU 50 Ca 0.00 -0.34 -0.41 0.00 -0.02 0.00 0.00 57.16 56.38 7i1b n GLU 50 Cb 0.00 -2.36 -0.04 0.00 -0.02 0.00 0.00 31.44 29.02 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 7i1b s GLU 51 N 8.09 4.65 0.00 3.49 2.02 -1.26 -4.66 118.70 131.02 7i1b s GLU 51 Ca 1.14 1.47 0.00 0.00 0.02 0.00 0.00 54.97 57.59 7i1b s GLU 51 Cb -0.54 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.30 7i1b s GLU 51 CO 0.34 0.12 0.00 0.45 0.02 0.00 0.00 175.26 176.18 7i1b n SER 52 N 3.12 2.41 -0.06 -0.19 2.88 -1.25 -5.01 113.62 115.52 7i1b n SER 52 Ca 0.04 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.55 7i1b n SER 52 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 7i1b n SER 52 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 7i1b h ASN 53 N 0.00 0.00 0.00 -3.46 -1.07 -2.03 -3.42 115.58 105.60 7i1b h ASN 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 7i1b h ASN 53 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 7i1b h ASN 53 CO 0.00 0.64 -0.92 -0.90 0.07 0.00 0.00 177.43 176.32 7i1b n ASP 54 N -4.50 1.15 -4.57 6.14 5.68 -1.26 -4.92 116.55 114.28 7i1b n ASP 54 Ca -0.05 -0.50 -0.40 0.00 -0.50 0.00 0.00 54.79 53.35 7i1b n ASP 54 Cb 0.18 1.20 -0.03 0.00 -1.14 0.00 0.00 41.12 41.33 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 7i1b s LYS 55 N -2.38 2.77 -0.56 0.11 1.02 -1.26 -4.27 119.74 115.16 7i1b s LYS 55 Ca 0.01 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.08 7i1b s LYS 55 Cb 0.09 -4.37 0.14 0.00 -0.52 0.00 0.00 37.83 33.17 7i1b s LYS 55 CO 0.49 -2.54 0.34 0.42 -0.92 0.00 0.00 175.35 173.15 7i1b s ILE 56 N 8.96 3.18 0.10 2.17 1.01 -1.05 -3.76 121.20 131.82 7i1b s ILE 56 Ca 0.78 -3.05 -0.31 0.00 0.00 0.00 0.00 60.65 58.07 7i1b s ILE 56 Cb -0.17 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 7i1b s ILE 56 CO 0.26 -0.83 1.72 -2.84 0.00 0.00 0.00 174.94 173.26 7i1b s PRO 57 N -0.07 4.17 0.00 2.79 0.02 -1.26 -2.19 135.00 138.46 7i1b s PRO 57 Ca 0.16 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.64 7i1b s PRO 57 Cb -0.23 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.74 7i1b s PRO 57 CO -0.02 -0.77 0.00 1.33 -0.33 0.00 0.00 177.00 177.20 7i1b n VAL 58 N 4.66 0.00 -3.70 3.83 0.24 -1.03 -2.21 118.33 120.11 7i1b n VAL 58 Ca 0.16 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.32 7i1b n VAL 58 Cb 0.39 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.62 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -2.00 -0.39 -0.44 2.33 0.00 -0.16 -2.46 121.76 118.64 7i1b s ALA 59 Ca 0.00 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 7i1b s ALA 59 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.41 7i1b s ALA 59 CO 0.00 -0.40 0.43 -0.51 0.00 0.00 0.00 175.76 175.28 7i1b s LEU 60 N 1.81 5.03 -0.12 0.00 1.43 -1.26 -1.35 118.68 124.23 7i1b s LEU 60 Ca -0.03 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 7i1b s LEU 60 Cb -0.11 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.80 7i1b s LEU 60 CO -0.07 -0.60 -0.15 -0.83 0.23 0.00 0.00 176.35 174.93 7i1b s GLY 61 N 1.99 1.05 0.04 -3.19 0.00 -1.08 -2.49 107.32 103.65 7i1b s GLY 61 Ca 0.10 -0.77 -0.38 0.00 0.00 0.00 0.00 44.72 43.67 7i1b s GLY 61 CO 0.12 0.32 1.28 1.04 0.00 0.00 0.00 173.10 175.86 7i1b n LEU 62 N 4.36 1.19 -0.13 0.66 4.77 -0.74 0.11 117.00 127.22 7i1b n LEU 62 Ca -0.18 1.13 -0.07 0.00 -0.03 0.00 0.00 56.01 56.86 7i1b n LEU 62 Cb 0.51 -1.11 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 7i1b n LEU 62 CO 0.23 -1.27 1.01 0.50 -1.33 0.00 0.00 177.39 176.53 7i1b h LYS 63 N 4.20 0.45 0.19 3.23 3.64 -1.60 -3.21 116.57 123.48 7i1b h LYS 63 Ca -0.49 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 7i1b h LYS 63 Cb 1.36 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 7i1b h LYS 63 CO 0.75 0.30 -0.09 0.93 -2.27 0.00 0.00 179.45 179.07 7i1b h GLU 64 N 0.47 -0.25 -6.21 1.90 5.08 -1.88 -3.46 114.58 110.23 7i1b h GLU 64 Ca 0.17 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 58.03 7i1b h GLU 64 Cb 0.03 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 7i1b h GLU 64 CO -0.09 0.15 -0.37 0.15 -1.00 0.00 0.00 179.01 177.85 7i1b s LYS 65 N -3.70 3.48 -0.26 2.33 1.02 -1.21 -4.98 119.74 116.41 7i1b s LYS 65 Ca -0.13 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 7i1b s LYS 65 Cb 0.01 -2.86 0.19 0.00 -0.52 0.00 0.00 37.83 34.64 7i1b s LYS 65 CO 0.49 0.41 1.96 0.27 -0.92 0.00 0.00 175.35 177.56 7i1b n ASN 66 N -0.96 6.03 -4.68 2.83 0.23 -1.26 -3.81 115.26 113.64 7i1b n ASN 66 Ca -0.06 -2.93 -0.38 0.00 -0.53 0.00 0.00 54.58 50.67 7i1b n ASN 66 Cb 0.55 -1.03 -0.07 0.00 -2.08 0.00 0.00 39.78 37.15 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 7i1b s LEU 67 N -1.50 4.18 -0.19 -4.53 1.43 -1.26 -2.74 118.68 114.07 7i1b s LEU 67 Ca 0.25 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 7i1b s LEU 67 Cb 0.20 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 7i1b s LEU 67 CO 0.00 -0.10 -0.05 -0.31 0.23 0.00 0.00 176.35 176.12 7i1b s TYR 68 N 1.27 2.96 0.45 0.29 1.51 -0.54 -1.79 117.35 121.49 7i1b s TYR 68 Ca 0.23 -0.70 -0.25 0.00 -1.01 0.00 0.00 57.07 55.34 7i1b s TYR 68 Cb -0.15 -2.04 -0.08 0.00 -0.11 0.00 0.00 41.96 39.58 7i1b s TYR 68 CO 0.09 -0.36 1.39 1.28 -1.11 0.00 0.00 175.55 176.85 7i1b n LEU 69 N 4.30 4.92 -3.75 -1.29 4.32 -1.04 -2.15 117.00 122.30 7i1b n LEU 69 Ca -0.18 1.11 -0.13 0.00 -0.02 0.00 0.00 56.01 56.79 7i1b n LEU 69 Cb 0.52 -1.58 -0.08 0.00 -1.62 0.00 0.00 43.42 40.65 7i1b n LEU 69 CO 0.30 -0.29 0.03 -0.94 -1.22 0.00 0.00 177.39 175.28 7i1b s SER 70 N -0.51 -0.19 -0.20 -1.43 1.04 0.35 -4.62 113.70 108.14 7i1b s SER 70 Ca 0.62 0.06 -0.10 0.00 0.48 0.00 0.00 55.95 57.01 7i1b s SER 70 Cb -0.46 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 7i1b s SER 70 CO 0.57 -0.48 0.12 0.00 0.98 0.00 0.00 173.24 174.44 7i1b s VAL 72 N 0.38 0.12 -0.11 0.00 -7.23 -0.99 -4.81 120.40 107.77 7i1b s VAL 72 Ca 0.07 -0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 7i1b s VAL 72 Cb -0.11 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 7i1b s VAL 72 CO -0.01 -0.55 0.86 -0.76 -0.31 0.00 0.00 175.10 174.33 7i1b s LEU 73 N -1.89 4.25 -0.85 1.32 1.43 -1.26 -1.37 118.68 120.31 7i1b s LEU 73 Ca -0.08 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.34 7i1b s LEU 73 Cb -0.04 -3.32 0.21 0.00 0.03 0.00 0.00 46.19 43.08 7i1b s LEU 73 CO -0.03 -0.32 0.71 -0.54 0.23 0.00 0.00 176.35 176.41 7i1b s LYS 74 N 1.63 3.09 0.00 1.70 1.02 0.54 -4.61 119.74 123.11 7i1b s LYS 74 Ca 0.42 -3.30 0.00 0.00 0.02 0.00 0.00 55.97 53.11 7i1b s LYS 74 Cb -0.18 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 7i1b s LYS 74 CO 0.17 -1.27 0.00 -0.25 -0.92 0.00 0.00 175.35 173.08 7i1b n ASP 75 N 2.23 -1.81 -0.37 2.83 8.00 -1.26 -3.47 116.55 122.70 7i1b n ASP 75 Ca 0.21 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 7i1b n ASP 75 Cb 0.36 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 7i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 7i1b n ASP 76 N -0.56 -4.92 -4.07 -2.24 8.00 -1.26 -4.96 116.55 106.53 7i1b n ASP 76 Ca 0.00 0.12 -0.32 0.00 0.71 0.00 0.00 54.79 55.30 7i1b n ASP 76 Cb 0.45 -2.85 -0.15 0.00 -0.02 0.00 0.00 41.12 38.56 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 7i1b s LYS 77 N -1.98 2.04 0.37 -1.24 2.36 -1.23 -5.07 119.74 114.99 7i1b s LYS 77 Ca 0.00 -1.51 -0.27 0.00 -2.55 0.00 0.00 55.97 51.64 7i1b s LYS 77 Cb 0.00 -3.04 -0.11 0.00 -1.05 0.00 0.00 37.83 33.63 7i1b s LYS 77 CO 0.00 -0.70 1.31 -2.30 1.55 0.00 0.00 175.35 175.21 7i1b n PRO 78 N 4.41 2.15 -3.94 4.03 -0.02 -1.26 -0.34 135.00 140.02 7i1b n PRO 78 Ca -0.08 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 7i1b n PRO 78 Cb 0.42 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 7i1b n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 7i1b s THR 79 N -1.13 0.03 -0.14 3.45 2.01 -0.47 -4.67 115.64 114.73 7i1b s THR 79 Ca 0.57 -1.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 7i1b s THR 79 Cb -0.54 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 7i1b s THR 79 CO 0.61 -0.15 0.03 -0.22 -0.69 0.00 0.00 174.62 174.21 7i1b s LEU 80 N -2.98 3.68 0.03 4.42 2.96 -1.26 -2.35 118.68 123.19 7i1b s LEU 80 Ca 0.19 0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.98 7i1b s LEU 80 Cb 0.01 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.86 7i1b s LEU 80 CO 0.03 0.27 0.51 -1.58 -1.32 0.00 0.00 176.35 174.25 7i1b s GLN 81 N -0.20 1.00 0.20 1.98 0.74 -0.78 -4.82 119.66 117.79 7i1b s GLN 81 Ca 0.06 -0.20 -0.17 0.00 0.05 0.00 0.00 55.36 55.10 7i1b s GLN 81 Cb -0.12 0.46 -0.08 0.00 1.10 0.00 0.00 33.01 34.37 7i1b s GLN 81 CO 0.02 -0.35 0.65 -0.51 -0.55 0.00 0.00 175.29 174.54 7i1b s LEU 82 N -1.87 4.31 -0.09 3.68 1.43 -1.26 -0.49 118.68 124.38 7i1b s LEU 82 Ca -0.06 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 7i1b s LEU 82 Cb -0.01 -3.51 0.05 0.00 0.03 0.00 0.00 46.19 42.75 7i1b s LEU 82 CO -0.00 0.03 0.20 -0.70 0.23 0.00 0.00 176.35 176.11 7i1b s GLU 83 N -2.10 0.12 -0.03 1.70 2.12 -0.91 -4.92 118.70 114.68 7i1b s GLU 83 Ca 0.42 0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 7i1b s GLU 83 Cb -0.15 -0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.03 7i1b s GLU 83 CO 0.20 -0.22 1.45 -1.54 -0.54 0.00 0.00 175.26 174.61 7i1b s SER 84 N 1.67 6.81 0.00 -1.70 1.04 -1.26 -1.47 113.70 118.79 7i1b s SER 84 Ca -0.05 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.49 7i1b s SER 84 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.45 7i1b s SER 84 CO -0.07 -0.78 0.00 1.33 0.98 0.00 0.00 173.24 174.70 7i1b n VAL 85 N 4.94 0.00 -2.60 5.02 0.24 -1.11 -4.96 118.33 119.86 7i1b n VAL 85 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.01 7i1b n VAL 85 Cb 0.43 -0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 31.85 7i1b n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 7i1b s ASP 86 N -0.94 6.86 0.00 -1.34 2.15 -1.26 -4.88 116.67 117.26 7i1b s ASP 86 Ca 0.00 1.00 0.14 0.00 0.43 0.00 0.00 52.55 54.12 7i1b s ASP 86 Cb 0.00 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.75 7i1b s ASP 86 CO 0.00 -0.95 1.39 -0.81 -0.17 0.00 0.00 175.17 174.62 7i1b n PRO 87 N 7.05 0.15 -0.12 4.34 -0.04 -1.26 -1.57 135.00 143.55 7i1b n PRO 87 Ca 0.12 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 7i1b n PRO 87 Cb 0.47 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 7i1b n LYS 88 N -1.34 0.65 -0.00 0.54 5.02 -1.26 -4.63 118.16 117.13 7i1b n LYS 88 Ca 0.06 0.20 -0.20 0.00 -2.02 0.00 0.00 58.31 56.34 7i1b n LYS 88 Cb 0.12 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 7i1b h ASN 89 N -0.23 0.31 -3.47 4.39 2.35 -1.96 -3.47 115.58 113.51 7i1b h ASN 89 Ca -0.58 -0.85 -0.52 0.00 -0.55 0.00 0.00 56.30 53.79 7i1b h ASN 89 Cb 1.84 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 40.08 7i1b h ASN 89 CO -0.15 1.48 -0.07 -0.31 -1.65 0.00 0.00 177.43 176.74 7i1b s TYR 90 N -2.42 3.43 0.02 1.19 2.02 -0.61 -3.41 117.35 117.57 7i1b s TYR 90 Ca -0.19 0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 57.11 7i1b s TYR 90 Cb 0.03 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 7i1b s TYR 90 CO 0.75 0.20 1.29 -1.25 -1.57 0.00 0.00 175.55 174.98 7i1b s PRO 91 N -3.02 4.35 0.33 -1.71 0.04 -1.26 -4.56 135.00 129.16 7i1b s PRO 91 Ca 0.48 1.86 0.09 0.00 0.04 0.00 0.00 61.00 63.47 7i1b s PRO 91 Cb -0.11 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 7i1b s PRO 91 CO 0.22 -0.43 -0.01 0.21 0.04 0.00 0.00 177.00 177.03 7i1b s LYS 92 N 1.77 2.06 0.32 4.56 2.20 -1.22 -4.45 119.74 124.98 7i1b s LYS 92 Ca 0.61 -1.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.53 7i1b s LYS 92 Cb -0.30 -1.93 0.55 0.00 -1.51 0.00 0.00 37.83 34.64 7i1b s LYS 92 CO 0.27 0.18 1.85 -0.22 -0.36 0.00 0.00 175.35 177.07 7i1b h LYS 93 N 1.87 0.56 -6.09 4.03 3.64 -1.90 -3.43 116.57 115.26 7i1b h LYS 93 Ca -0.43 -0.13 -0.65 0.00 -1.27 0.00 0.00 60.65 58.18 7i1b h LYS 93 Cb 1.25 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.90 7i1b h LYS 93 CO 0.66 0.60 -0.59 0.21 -2.27 0.00 0.00 179.45 178.06 7i1b s LYS 94 N -4.95 2.99 -0.01 1.90 2.47 -1.26 -2.24 119.74 118.64 7i1b s LYS 94 Ca -0.08 -0.58 -0.09 0.00 -1.56 0.00 0.00 55.97 53.66 7i1b s LYS 94 Cb 0.15 -2.80 0.01 0.00 -1.46 0.00 0.00 37.83 33.73 7i1b s LYS 94 CO 0.77 0.61 0.19 -1.64 0.16 0.00 0.00 175.35 175.44 7i1b s MET 95 N -2.07 0.50 0.85 4.03 -1.94 -1.26 -4.99 119.30 114.43 7i1b s MET 95 Ca 0.26 -0.27 -0.12 0.00 -1.71 0.00 0.00 55.69 53.86 7i1b s MET 95 Cb -0.12 0.22 0.10 0.00 2.01 0.00 0.00 34.83 37.03 7i1b s MET 95 CO 0.18 -0.12 1.11 -1.21 -0.01 0.00 0.00 175.02 174.97 7i1b s GLU 96 N -1.20 1.68 0.45 2.03 0.41 -1.26 -4.75 118.70 116.04 7i1b s GLU 96 Ca -0.13 0.55 0.12 0.00 -0.41 0.00 0.00 54.97 55.10 7i1b s GLU 96 Cb -0.06 -1.88 1.02 0.00 -1.78 0.00 0.00 34.13 31.43 7i1b s GLU 96 CO 0.02 -1.88 2.05 0.87 -0.49 0.00 0.00 175.26 175.82 7i1b h LYS 97 N -1.28 0.36 0.00 1.61 1.79 -1.93 -0.47 116.57 116.65 7i1b h LYS 97 Ca -0.49 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 7i1b h LYS 97 Cb 1.29 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 7i1b h LYS 97 CO 0.60 0.24 0.01 2.89 -1.08 0.00 0.00 179.45 182.10 7i1b n ARG 98 N -4.48 0.09 0.00 3.15 0.00 -1.26 -1.91 116.66 112.25 7i1b n ARG 98 Ca 0.05 0.59 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 7i1b n ARG 98 Cb 0.20 -1.81 0.00 0.00 -0.00 0.00 0.00 32.46 30.85 7i1b n ARG 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 7i1b n PHE 99 N -1.99 0.00 -2.83 2.89 3.72 -0.28 -2.96 117.46 116.01 7i1b n PHE 99 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 7i1b n PHE 99 Cb 0.03 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 7i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 7i1b s VAL 100 N -0.74 4.77 -0.26 -4.37 1.01 -0.64 -4.51 120.40 115.66 7i1b s VAL 100 Ca 0.00 1.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 7i1b s VAL 100 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.22 7i1b s VAL 100 CO 0.00 -0.16 -0.04 -0.36 0.00 0.00 0.00 175.10 174.55 7i1b s PHE 101 N 3.00 3.11 -0.56 5.22 0.40 -1.03 -2.26 117.98 125.86 7i1b s PHE 101 Ca 0.37 -1.56 -0.27 0.00 -0.60 0.00 0.00 56.93 54.87 7i1b s PHE 101 Cb -0.15 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 7i1b s PHE 101 CO 0.09 -0.73 1.72 -0.80 0.70 0.00 0.00 175.22 176.20 7i1b s ASN 102 N 1.33 5.61 -0.63 1.36 0.01 -0.93 -2.47 114.94 119.21 7i1b s ASN 102 Ca -0.01 0.45 -0.27 0.00 -0.71 0.00 0.00 52.86 52.31 7i1b s ASN 102 Cb -0.17 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 38.97 7i1b s ASN 102 CO -0.03 -2.09 1.37 -0.75 -1.51 0.00 0.00 177.10 174.09 7i1b s LYS 103 N 6.40 3.24 0.17 -0.60 2.20 -0.93 -2.51 119.74 127.71 7i1b s LYS 103 Ca 0.64 0.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.48 7i1b s LYS 103 Cb -0.14 -4.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.00 7i1b s LYS 103 CO 0.23 -2.03 0.25 0.42 -0.36 0.00 0.00 175.35 173.86 7i1b s ILE 104 N 6.01 5.04 -0.19 5.43 1.01 -0.61 -2.52 121.20 135.36 7i1b s ILE 104 Ca 0.46 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 7i1b s ILE 104 Cb -0.09 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 7i1b s ILE 104 CO 0.21 -0.14 -0.07 -1.61 0.00 0.00 0.00 174.94 173.33 7i1b s GLU 105 N -3.33 3.39 -0.05 2.79 2.02 -1.26 -0.57 118.70 121.70 7i1b s GLU 105 Ca 0.33 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 7i1b s GLU 105 Cb -0.10 -2.88 0.03 0.00 0.10 0.00 0.00 34.13 31.27 7i1b s GLU 105 CO 0.27 -0.05 0.03 0.42 0.02 0.00 0.00 175.26 175.95 7i1b s ILE 106 N 1.07 0.12 -1.47 -1.63 1.01 0.83 -4.83 121.20 116.29 7i1b s ILE 106 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 7i1b s ILE 106 Cb -0.15 -0.30 0.06 0.00 0.01 0.00 0.00 42.46 42.08 7i1b s ILE 106 CO -0.01 0.20 0.79 0.59 0.00 0.00 0.00 174.94 176.51 7i1b n ASN 107 N 4.96 -2.87 0.00 3.58 3.02 -1.26 0.32 115.26 123.00 7i1b n ASN 107 Ca -0.10 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 7i1b n ASN 107 Cb 0.50 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 7i1b n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 7i1b n ASN 108 N -2.90 -4.15 -4.76 6.41 6.94 -1.26 -4.97 115.26 110.57 7i1b n ASN 108 Ca -0.11 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.23 7i1b n ASN 108 Cb 0.59 -2.31 -0.06 0.00 -2.36 0.00 0.00 39.78 35.64 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 7i1b s LYS 109 N -1.19 2.55 0.09 -3.83 -0.14 0.15 -5.05 119.74 112.32 7i1b s LYS 109 Ca 0.00 -1.35 0.02 0.00 -1.36 0.00 0.00 55.97 53.28 7i1b s LYS 109 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 7i1b s LYS 109 CO 0.00 0.23 0.17 -0.51 -0.76 0.00 0.00 175.35 174.49 7i1b s LEU 110 N -3.83 4.14 -0.23 3.17 1.43 -0.20 -0.12 118.68 123.03 7i1b s LEU 110 Ca 0.36 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 7i1b s LEU 110 Cb -0.05 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 43.50 7i1b s LEU 110 CO 0.23 0.14 0.15 -0.70 0.23 0.00 0.00 176.35 176.41 7i1b s GLU 111 N -2.63 0.16 -0.40 1.70 2.12 0.27 -0.75 118.70 119.16 7i1b s GLU 111 Ca 0.33 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 55.23 7i1b s GLU 111 Cb -0.12 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 32.93 7i1b s GLU 111 CO 0.26 -0.83 0.81 -0.06 -0.54 0.00 0.00 175.26 174.90 7i1b s PHE 112 N 2.18 3.06 -0.13 5.30 0.08 -1.26 -1.57 117.98 125.64 7i1b s PHE 112 Ca 0.06 0.44 -0.06 0.00 0.12 0.00 0.00 56.93 57.49 7i1b s PHE 112 Cb -0.16 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 7i1b s PHE 112 CO -0.22 -0.85 0.10 -2.00 -0.10 0.00 0.00 175.22 172.15 7i1b s GLU 113 N 3.25 3.47 -0.39 0.44 2.12 -1.04 -2.24 118.70 124.30 7i1b s GLU 113 Ca 0.32 -0.23 -0.28 0.00 0.36 0.00 0.00 54.97 55.14 7i1b s GLU 113 Cb -0.12 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 7i1b s GLU 113 CO 0.20 0.65 1.99 0.45 -0.54 0.00 0.00 175.26 178.00 7i1b s SER 114 N -0.68 5.45 0.61 -1.70 0.15 0.03 -2.20 113.70 115.36 7i1b s SER 114 Ca 0.12 1.17 0.20 0.00 0.70 0.00 0.00 55.95 58.15 7i1b s SER 114 Cb -0.12 -2.52 1.09 0.00 -1.71 0.00 0.00 66.02 62.76 7i1b s SER 114 CO 0.02 -2.08 1.60 0.00 1.20 0.00 0.00 173.24 173.98 7i1b h ALA 115 N 14.79 1.48 0.00 5.45 0.00 -1.66 -0.93 119.26 138.39 7i1b h ALA 115 Ca -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 7i1b h ALA 115 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 7i1b h ALA 115 CO 1.08 -0.48 -0.10 0.37 0.00 0.00 0.00 179.25 180.12 7i1b h GLN 116 N 0.00 0.00 -4.24 0.00 5.75 -1.82 -3.43 115.11 111.37 7i1b h GLN 116 Ca 0.00 0.00 -0.71 0.00 -0.15 0.00 0.00 58.65 57.79 7i1b h GLN 116 Cb 0.99 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 29.23 7i1b h GLN 116 CO 0.00 0.15 -0.42 -0.06 -2.65 0.00 0.00 178.83 175.85 7i1b s PHE 117 N -1.75 3.49 0.77 3.99 0.08 -0.35 -5.09 117.98 119.13 7i1b s PHE 117 Ca -0.05 -2.16 -0.14 0.00 0.12 0.00 0.00 56.93 54.70 7i1b s PHE 117 Cb 0.00 -3.39 0.06 0.00 -0.57 0.00 0.00 43.02 39.12 7i1b s PHE 117 CO 0.13 -0.97 1.21 -2.14 -0.10 0.00 0.00 175.22 173.35 7i1b s PRO 118 N 1.05 1.89 0.00 0.24 0.02 -1.22 -2.38 135.00 134.61 7i1b s PRO 118 Ca 0.09 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.87 7i1b s PRO 118 Cb -0.24 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.48 7i1b s PRO 118 CO -0.03 -2.02 0.00 0.09 -0.33 0.00 0.00 177.00 174.71 7i1b n ASN 119 N -3.01 0.00 -4.44 2.53 3.02 -1.26 -4.98 115.26 107.13 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.31 7i1b n ASN 119 Cb 0.50 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.55 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 7i1b s TRP 120 N -2.66 3.13 0.52 3.10 0.52 -1.00 -4.63 118.94 117.92 7i1b s TRP 120 Ca 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.60 7i1b s TRP 120 Cb 0.00 -2.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.02 7i1b s TRP 120 CO 0.00 -0.41 0.00 0.71 0.02 0.00 0.00 176.95 177.27 7i1b s TYR 121 N 1.61 1.81 0.03 -1.98 1.51 -0.91 -0.79 117.35 118.62 7i1b s TYR 121 Ca 0.05 -0.98 -0.22 0.00 -1.01 0.00 0.00 57.07 54.92 7i1b s TYR 121 Cb -0.16 -1.60 -0.06 0.00 -0.11 0.00 0.00 41.96 40.03 7i1b s TYR 121 CO 0.05 0.21 0.65 0.42 -1.11 0.00 0.00 175.55 175.76 7i1b s ILE 122 N -2.89 4.80 0.17 2.71 1.01 -0.95 -2.13 121.20 123.92 7i1b s ILE 122 Ca 0.03 1.37 -0.10 0.00 0.00 0.00 0.00 60.65 61.96 7i1b s ILE 122 Cb 0.01 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 7i1b s ILE 122 CO 0.02 0.43 0.31 -0.44 0.00 0.00 0.00 174.94 175.26 7i1b s SER 123 N -0.37 0.01 0.23 3.58 0.01 -0.84 -4.40 113.70 111.91 7i1b s SER 123 Ca 0.33 -0.82 0.07 0.00 1.31 0.00 0.00 55.95 56.84 7i1b s SER 123 Cb -0.19 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 7i1b s SER 123 CO 0.20 -0.91 -0.12 0.42 0.41 0.00 0.00 173.24 173.24 7i1b s THR 124 N -3.95 1.70 -0.21 1.44 -4.23 -0.56 -2.70 115.64 107.13 7i1b s THR 124 Ca 0.16 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 7i1b s THR 124 Cb 0.03 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 7i1b s THR 124 CO -0.00 -0.50 0.13 -0.55 -0.54 0.00 0.00 174.62 173.16 7i1b s SER 125 N -3.35 6.17 0.57 3.99 0.15 -1.26 -2.67 113.70 117.29 7i1b s SER 125 Ca 0.25 0.20 0.35 0.00 0.70 0.00 0.00 55.95 57.45 7i1b s SER 125 Cb 0.01 -2.09 1.45 0.00 -1.71 0.00 0.00 66.02 63.68 7i1b s SER 125 CO 0.08 0.16 1.70 -0.61 1.20 0.00 0.00 173.24 175.78 7i1b h GLN 126 N 6.80 0.00 -6.42 5.44 5.75 -1.98 -3.41 115.11 121.28 7i1b h GLN 126 Ca -0.40 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.58 7i1b h GLN 126 Cb 1.15 0.00 0.23 0.00 1.07 0.00 0.00 27.48 29.94 7i1b h GLN 126 CO 0.74 0.00 -1.37 0.00 -2.65 0.00 0.00 178.83 175.56 7i1b n ALA 127 N -2.60 -4.23 -2.38 3.38 0.00 -1.26 -4.93 120.51 108.50 7i1b n ALA 127 Ca 0.24 -0.88 -0.35 0.00 0.00 0.00 0.00 53.44 52.45 7i1b n ALA 127 Cb 1.28 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 7i1b n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 7i1b s GLU 128 N -2.89 3.95 -1.17 0.00 0.41 -1.26 -4.38 118.70 113.37 7i1b s GLU 128 Ca 0.49 0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 55.20 7i1b s GLU 128 Cb -0.14 -2.91 0.03 0.00 -1.78 0.00 0.00 34.13 29.33 7i1b s GLU 128 CO 0.72 0.47 0.70 0.09 -0.49 0.00 0.00 175.26 176.75 7i1b n ASN 129 N 0.73 -4.46 -4.38 -0.19 4.13 -1.25 -4.95 115.26 104.89 7i1b n ASN 129 Ca -0.05 -1.22 -0.33 0.00 1.68 0.00 0.00 54.58 54.67 7i1b n ASN 129 Cb 0.52 -2.02 -0.14 0.00 -1.54 0.00 0.00 39.78 36.59 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 7i1b s MET 130 N -6.95 3.22 0.32 3.52 1.75 -1.25 -4.94 119.30 114.97 7i1b s MET 130 Ca 0.45 -0.70 -0.29 0.00 -1.25 0.00 0.00 55.69 53.90 7i1b s MET 130 Cb -0.23 -2.57 -0.12 0.00 2.84 0.00 0.00 34.83 34.75 7i1b s MET 130 CO 0.95 0.28 1.50 -2.30 -0.65 0.00 0.00 175.02 174.79 7i1b n PRO 131 N 3.33 2.53 -1.00 4.11 -0.01 -1.26 -2.74 135.00 139.95 7i1b n PRO 131 Ca -0.18 0.89 -0.30 0.00 -0.01 0.00 0.00 63.50 63.90 7i1b n PRO 131 Cb 0.53 -2.62 0.14 0.00 -0.01 0.00 0.00 33.50 31.54 7i1b n PRO 131 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 7i1b s VAL 132 N -0.47 2.66 0.27 -1.45 1.01 -1.02 -4.79 120.40 116.60 7i1b s VAL 132 Ca 0.60 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 7i1b s VAL 132 Cb -0.52 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.41 7i1b s VAL 132 CO 0.55 -0.28 0.83 2.22 0.00 0.00 0.00 175.10 178.42 7i1b n PHE 133 N -3.96 -1.78 -3.96 5.22 -1.74 -1.10 -4.86 117.46 105.29 7i1b n PHE 133 Ca 0.09 -1.43 -0.35 0.00 -0.56 0.00 0.00 57.45 55.20 7i1b n PHE 133 Cb 0.53 0.71 -0.11 0.00 1.52 0.00 0.00 39.48 42.14 7i1b n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 7i1b s LEU 134 N 0.00 3.71 0.24 5.98 2.96 -1.26 -1.99 118.68 128.32 7i1b s LEU 134 Ca 0.18 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 7i1b s LEU 134 Cb -0.04 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 7i1b s LEU 134 CO 0.08 0.12 0.02 -0.83 -1.32 0.00 0.00 176.35 174.42 7i1b s GLY 135 N 0.71 1.62 -0.42 7.98 0.00 -0.90 -4.60 107.32 111.71 7i1b s GLY 135 Ca 0.03 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 43.02 7i1b s GLY 135 CO 0.02 -1.66 1.10 0.61 0.00 0.00 0.00 173.10 173.17 7i1b n GLY 136 N -0.44 5.52 2.65 0.20 0.00 -1.26 -2.14 105.19 109.72 7i1b n GLY 136 Ca -0.04 -2.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.10 7i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7i1b s THR 137 N -5.21 1.07 -0.01 2.61 2.01 -1.26 -5.02 115.64 109.83 7i1b s THR 137 Ca 0.46 -2.30 -0.30 0.00 0.31 0.00 0.00 61.69 59.86 7i1b s THR 137 Cb 0.41 -1.76 -0.07 0.00 0.01 0.00 0.00 72.50 71.09 7i1b s THR 137 CO -0.15 -0.91 1.74 -0.54 -0.69 0.00 0.00 174.62 174.07 7i1b s LYS 138 N 0.59 4.17 7.94 4.92 1.02 -1.26 -4.60 119.74 132.51 7i1b s LYS 138 Ca 0.17 2.32 0.00 0.00 0.02 0.00 0.00 55.97 58.49 7i1b s LYS 138 Cb -0.24 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.08 7i1b s LYS 138 CO -0.00 -0.86 0.00 0.41 -0.92 0.00 0.00 175.35 173.97 7i1b n GLY 139 N 4.23 3.96 7.00 -3.33 0.00 -1.25 -4.87 105.19 110.93 7i1b n GLY 139 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.26 7i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7i1b n GLY 140 N 0.00 3.60 0.01 -0.02 0.00 -1.26 -1.80 105.19 105.71 7i1b n GLY 140 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.33 7i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 141 N 13.52 0.55 -3.56 1.61 0.00 -1.26 -4.97 117.38 123.27 7i1b n GLN 141 Ca 0.00 -0.15 -0.33 0.00 -0.00 0.00 0.00 57.00 56.52 7i1b n GLN 141 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 30.24 28.79 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -3.92 6.60 -0.53 1.69 1.01 -0.75 -4.68 116.67 116.10 7i1b s ASP 142 Ca -0.06 0.77 -0.17 0.00 0.71 0.00 0.00 52.55 53.80 7i1b s ASP 142 Cb 0.11 -2.17 0.09 0.00 1.01 0.00 0.00 42.92 41.96 7i1b s ASP 142 CO 0.71 0.09 0.57 -0.63 0.21 0.00 0.00 175.17 176.11 7i1b s ILE 143 N -1.56 5.02 -0.13 0.77 1.01 -1.09 -3.95 121.20 121.27 7i1b s ILE 143 Ca 0.38 -1.01 0.18 0.00 0.00 0.00 0.00 60.65 60.21 7i1b s ILE 143 Cb -0.13 -4.33 -0.19 0.00 0.01 0.00 0.00 42.46 37.83 7i1b s ILE 143 CO 0.21 -0.87 0.63 0.35 0.00 0.00 0.00 174.94 175.26 7i1b n THR 144 N 5.42 0.95 -0.77 2.92 -2.24 -1.26 -1.49 114.28 117.81 7i1b n THR 144 Ca -0.11 -0.68 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 7i1b n THR 144 Cb 0.43 -0.51 0.20 0.00 -2.10 0.00 0.00 70.33 68.35 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.45 2.08 0.37 3.42 1.47 -1.26 -4.60 116.67 112.70 7i1b s ASP 145 Ca -0.05 1.65 -0.09 0.00 1.18 0.00 0.00 52.55 55.24 7i1b s ASP 145 Cb 0.09 -2.31 0.04 0.00 -0.34 0.00 0.00 42.92 40.40 7i1b s ASP 145 CO 0.83 -3.54 0.66 0.49 0.68 0.00 0.00 175.17 174.29 7i1b n PHE 146 N -4.49 -1.99 -3.51 2.11 3.72 0.07 -4.42 117.46 108.95 7i1b n PHE 146 Ca 0.06 -2.03 -0.04 0.00 -0.05 0.00 0.00 57.45 55.39 7i1b n PHE 146 Cb 0.54 0.77 -0.06 0.00 -0.94 0.00 0.00 39.48 39.79 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.40 -0.80 0.29 4.37 -4.23 -0.17 -1.03 115.64 111.66 7i1b s THR 147 Ca 0.21 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 7i1b s THR 147 Cb -0.03 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 7i1b s THR 147 CO 0.15 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.71 7i1b s MET 148 N 2.73 3.49 -0.17 3.99 0.23 -1.26 -1.34 119.30 126.97 7i1b s MET 148 Ca 0.03 -0.40 -0.12 0.00 -1.03 0.00 0.00 55.69 54.18 7i1b s MET 148 Cb -0.13 -2.75 0.05 0.00 -1.53 0.00 0.00 34.83 30.47 7i1b s MET 148 CO -0.17 0.27 0.43 -1.14 -2.03 0.00 0.00 175.02 172.39 7i1b s GLN 149 N -3.96 0.45 0.93 3.16 0.74 -0.93 -4.98 119.66 115.07 7i1b s GLN 149 Ca 0.39 0.75 -0.10 0.00 0.05 0.00 0.00 55.36 56.45 7i1b s GLN 149 Cb -0.10 0.07 0.15 0.00 1.10 0.00 0.00 33.01 34.23 7i1b s GLN 149 CO 0.33 -0.13 1.09 1.19 -0.55 0.00 0.00 175.29 177.22 7i1b n PHE 150 N 3.80 0.63 -4.35 1.67 3.01 -1.26 -2.02 117.46 118.93 7i1b n PHE 150 Ca -0.20 0.37 -0.22 0.00 1.01 0.00 0.00 57.45 58.42 7i1b n PHE 150 Cb 0.56 -1.97 -0.08 0.00 -0.01 0.00 0.00 39.48 37.98 7i1b n PHE 150 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 7i1b s VAL 151 N -2.61 0.13 0.04 -4.37 -7.23 -1.07 -4.74 120.40 100.55 7i1b s VAL 151 Ca 0.66 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.75 7i1b s VAL 151 Cb -0.23 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.27 7i1b s VAL 151 CO 0.59 0.00 0.18 -0.44 -0.31 0.00 0.00 175.10 175.12 7i1b s SER 152 N -3.45 0.06 0.00 4.85 0.01 -1.26 -4.96 113.70 108.95 7i1b s SER 152 Ca 0.36 -0.39 0.31 0.00 1.31 0.00 0.00 55.95 57.54 7i1b s SER 152 Cb 0.02 0.28 1.66 0.00 0.21 0.00 0.00 66.02 68.18 7i1b s SER 152 CO 0.25 -0.54 2.09 -0.24 0.41 0.00 0.00 173.24 175.20