#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 0.67 -2.48 0.00 -0.04 -1.26 -4.73 135.00 127.17 7i1b n PRO 2 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 7i1b n PRO 2 Cb 0.00 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 7i1b n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 7i1b n VAL 3 N 1.07 0.00 -3.60 0.52 0.24 -1.26 -4.75 118.33 110.55 7i1b n VAL 3 Ca 0.00 -0.62 -0.17 0.00 -2.04 0.00 0.00 64.34 61.51 7i1b n VAL 3 Cb 0.34 0.34 -0.14 0.00 -1.47 0.00 0.00 33.84 32.91 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 7i1b s ARG 4 N -2.32 0.12 0.73 7.34 0.52 -1.26 -5.07 118.95 119.00 7i1b s ARG 4 Ca 0.10 0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 55.68 7i1b s ARG 4 Cb 0.00 -0.63 0.07 0.00 0.52 0.00 0.00 34.95 34.91 7i1b s ARG 4 CO 0.07 -0.45 1.05 -1.12 0.02 0.00 0.00 175.30 174.87 7i1b s SER 5 N 2.33 4.69 -0.28 0.23 0.01 -1.26 -2.78 113.70 116.65 7i1b s SER 5 Ca 0.04 0.47 -0.03 0.00 1.31 0.00 0.00 55.95 57.74 7i1b s SER 5 Cb -0.14 -1.06 0.16 0.00 0.21 0.00 0.00 66.02 65.19 7i1b s SER 5 CO -0.09 -1.69 0.53 -0.22 0.41 0.00 0.00 173.24 172.18 7i1b s LEU 6 N -5.31 -1.12 0.21 2.44 2.96 0.45 -4.91 118.68 113.39 7i1b s LEU 6 Ca 0.61 0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 54.99 7i1b s LEU 6 Cb -0.10 1.85 -0.08 0.00 0.50 0.00 0.00 46.19 48.35 7i1b s LEU 6 CO 0.46 -0.27 1.13 0.20 -1.32 0.00 0.00 176.35 176.55 7i1b s ASN 7 N 2.76 7.22 -0.19 3.68 -0.87 -1.26 0.13 114.94 126.41 7i1b s ASN 7 Ca 0.15 2.18 -0.31 0.00 -1.57 0.00 0.00 52.86 53.31 7i1b s ASN 7 Cb -0.15 -2.61 0.15 0.00 -0.02 0.00 0.00 41.25 38.62 7i1b s ASN 7 CO -0.19 -0.24 1.15 0.00 -2.57 0.00 0.00 177.10 175.25 7i1b s THR 9 N -1.69 2.54 -0.08 0.00 -4.23 -0.92 -1.89 115.64 109.38 7i1b s THR 9 Ca 0.05 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 7i1b s THR 9 Cb -0.01 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.27 7i1b s THR 9 CO -0.04 0.00 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.22 7i1b s LEU 10 N -4.56 1.20 0.08 4.79 1.43 -1.26 -2.60 118.68 117.76 7i1b s LEU 10 Ca 0.59 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.58 7i1b s LEU 10 Cb -0.08 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 7i1b s LEU 10 CO 0.37 -0.08 -0.25 -0.60 0.23 0.00 0.00 176.35 176.01 7i1b s ARG 11 N 1.32 1.54 0.55 1.70 3.52 -0.62 -3.33 118.95 123.64 7i1b s ARG 11 Ca -0.04 -1.17 -0.05 0.00 -0.13 0.00 0.00 55.73 54.35 7i1b s ARG 11 Cb -0.14 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 7i1b s ARG 11 CO -0.03 0.45 0.85 0.16 -0.81 0.00 0.00 175.30 175.92 7i1b s ASP 12 N -1.56 5.70 0.00 -2.12 -4.77 -0.45 -0.92 116.67 112.55 7i1b s ASP 12 Ca 0.11 0.65 0.00 0.00 -3.30 0.00 0.00 52.55 50.01 7i1b s ASP 12 Cb -0.10 -1.72 0.00 0.00 -1.09 0.00 0.00 42.92 40.01 7i1b s ASP 12 CO 0.04 -0.95 1.09 -1.54 0.70 0.00 0.00 175.17 174.50 7i1b n SER 13 N -2.46 2.98 0.00 2.11 3.41 -1.26 -2.45 113.62 115.96 7i1b n SER 13 Ca 0.04 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 7i1b n SER 13 Cb 0.57 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.32 0.00 -2.33 4.33 7.27 -1.26 -5.02 117.38 121.69 7i1b n GLN 14 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 57.00 56.83 7i1b n GLN 14 Cb 0.33 -0.46 0.00 0.00 2.41 0.00 0.00 30.24 32.52 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 7i1b n GLN 15 N 0.00 0.00 -4.23 3.69 7.27 -1.02 -5.07 117.38 118.02 7i1b n GLN 15 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 7i1b n GLN 15 Cb 0.38 -2.45 -0.11 0.00 2.41 0.00 0.00 30.24 30.47 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 -4.65 0.98 0.27 3.69 1.02 -1.26 -4.55 119.74 115.23 7i1b s LYS 16 Ca 0.00 -1.16 0.10 0.00 0.02 0.00 0.00 55.97 54.93 7i1b s LYS 16 Cb 0.00 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.35 7i1b s LYS 16 CO 0.00 0.18 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.42 7i1b s SER 17 N -2.24 4.20 -0.05 2.83 0.01 -1.07 -1.34 113.70 116.04 7i1b s SER 17 Ca 0.06 -0.79 -0.14 0.00 1.31 0.00 0.00 55.95 56.39 7i1b s SER 17 Cb -0.06 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.47 7i1b s SER 17 CO 0.03 0.01 0.38 -0.76 0.41 0.00 0.00 173.24 173.30 7i1b s LEU 18 N -3.62 4.40 0.02 2.44 1.43 -1.21 -2.50 118.68 119.65 7i1b s LEU 18 Ca 0.31 0.83 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 7i1b s LEU 18 Cb -0.06 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 7i1b s LEU 18 CO 0.18 0.25 -0.14 0.68 0.23 0.00 0.00 176.35 177.55 7i1b s VAL 19 N -0.58 1.10 -0.98 -1.59 -7.23 0.47 -2.65 120.40 108.93 7i1b s VAL 19 Ca 0.22 -0.87 -0.22 0.00 -1.81 0.00 0.00 61.98 59.31 7i1b s VAL 19 Cb -0.15 -0.97 0.08 0.00 0.56 0.00 0.00 36.38 35.89 7i1b s VAL 19 CO 0.11 0.10 1.33 -0.32 -0.31 0.00 0.00 175.10 176.00 7i1b s MET 20 N -0.89 3.58 0.27 4.82 1.75 -1.26 -1.51 119.30 126.06 7i1b s MET 20 Ca 0.03 -1.32 0.12 0.00 -1.25 0.00 0.00 55.69 53.27 7i1b s MET 20 Cb -0.07 -5.18 0.30 0.00 2.84 0.00 0.00 34.83 32.72 7i1b s MET 20 CO 0.01 -2.05 1.56 1.03 -0.65 0.00 0.00 175.02 174.91 7i1b h SER 21 N 9.47 0.00 -5.77 1.11 0.87 -1.90 -3.47 113.55 113.87 7i1b h SER 21 Ca 0.17 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.36 7i1b h SER 21 Cb 1.02 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 7i1b h SER 21 CO 1.31 0.62 -0.53 -0.83 -0.53 0.00 0.00 176.83 176.87 7i1b s GLY 22 N -4.49 1.95 0.06 5.77 0.00 -1.14 -5.01 107.32 104.47 7i1b s GLY 22 Ca -0.00 -1.91 -0.25 0.00 0.00 0.00 0.00 44.72 42.56 7i1b s GLY 22 CO 0.75 -1.43 1.39 -2.55 0.00 0.00 0.00 173.10 171.26 7i1b h PRO 23 N 2.33 -0.70 -0.85 2.90 0.11 -2.02 -3.00 132.00 130.76 7i1b h PRO 23 Ca -0.29 0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.34 7i1b h PRO 23 Cb 1.24 0.16 -0.28 0.00 0.11 0.00 0.00 31.00 32.23 7i1b h PRO 23 CO 0.43 -0.47 0.43 0.66 -0.21 0.00 0.00 178.00 178.84 7i1b n TYR 24 N -4.53 2.74 -4.10 0.65 4.01 -1.26 -4.95 117.16 109.73 7i1b n TYR 24 Ca -0.09 -2.32 -0.15 0.00 -0.16 0.00 0.00 57.90 55.19 7i1b n TYR 24 Cb 0.33 -0.99 -0.14 0.00 -0.31 0.00 0.00 39.34 38.23 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 -3.54 0.38 0.05 -0.72 2.02 -1.14 -4.50 118.70 111.26 7i1b s GLU 25 Ca 0.57 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.31 7i1b s GLU 25 Cb 0.47 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 7i1b s GLU 25 CO 0.03 0.08 -0.06 -0.51 0.02 0.00 0.00 175.26 174.83 7i1b s LEU 26 N -0.36 2.33 0.01 1.80 1.43 -1.26 -2.89 118.68 119.74 7i1b s LEU 26 Ca -0.01 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.26 7i1b s LEU 26 Cb -0.03 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.19 7i1b s LEU 26 CO -0.00 -0.34 0.32 -1.59 0.23 0.00 0.00 176.35 174.97 7i1b s LYS 27 N -2.31 0.73 -0.12 1.70 -2.85 -0.57 -1.24 119.74 115.07 7i1b s LYS 27 Ca -0.05 -0.29 -0.02 0.00 -1.00 0.00 0.00 55.97 54.61 7i1b s LYS 27 Cb -0.05 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 7i1b s LYS 27 CO -0.02 -0.21 -0.07 0.00 0.10 0.00 0.00 175.35 175.14 7i1b s ALA 28 N -1.75 2.91 0.26 0.59 0.00 -1.08 -0.40 121.76 122.29 7i1b s ALA 28 Ca -0.11 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 7i1b s ALA 28 Cb -0.04 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.71 7i1b s ALA 28 CO 0.02 0.33 0.58 -0.48 0.00 0.00 0.00 175.76 176.20 7i1b s LEU 29 N 0.02 0.07 -0.68 0.00 0.05 -1.04 -3.99 118.68 113.12 7i1b s LEU 29 Ca -0.01 -0.78 -0.26 0.00 0.05 0.00 0.00 54.13 53.13 7i1b s LEU 29 Cb -0.14 2.17 -0.04 0.00 -2.05 0.00 0.00 46.19 46.13 7i1b s LEU 29 CO 0.03 -1.22 2.01 -1.00 -0.55 0.00 0.00 176.35 175.61 7i1b s HIS 30 N -3.97 1.56 -0.24 3.48 3.76 -1.26 -2.60 115.29 116.03 7i1b s HIS 30 Ca 0.17 0.96 -0.09 0.00 -0.15 0.00 0.00 55.06 55.96 7i1b s HIS 30 Cb -0.03 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.67 7i1b s HIS 30 CO 0.08 -2.16 0.11 -1.17 -0.85 0.00 0.00 174.74 170.75 7i1b s LEU 31 N 10.22 3.76 -0.01 0.89 2.96 -1.26 -5.00 118.68 130.24 7i1b s LEU 31 Ca 0.74 -0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.37 7i1b s LEU 31 Cb -0.12 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.62 7i1b s LEU 31 CO 0.15 0.03 0.54 -1.58 -1.32 0.00 0.00 176.35 174.18 7i1b s GLN 32 N 1.22 0.95 0.63 1.98 0.74 -1.26 -4.83 119.66 119.08 7i1b s GLN 32 Ca 0.06 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.47 7i1b s GLN 32 Cb -0.14 0.44 0.00 0.00 1.10 0.00 0.00 33.01 34.41 7i1b s GLN 32 CO 0.05 -0.31 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 7i1b n GLY 33 N 0.86 -1.83 0.38 2.59 0.00 -1.26 -4.05 105.19 101.87 7i1b n GLY 33 Ca -0.19 -1.73 0.19 0.00 0.00 0.00 0.00 46.02 44.28 7i1b n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 -0.00 -2.06 0.44 115.11 115.10 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 178.83 175.36 7i1b n ASP 35 N -3.40 0.00 0.00 -0.69 2.03 -1.26 -2.93 116.55 110.30 7i1b n ASP 35 Ca 0.05 -0.44 0.06 0.00 0.52 0.00 0.00 54.79 54.98 7i1b n ASP 35 Cb 0.61 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.35 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 -0.98 0.35 0.00 -0.67 0.00 0.15 -2.09 117.12 113.88 7i1b n MET 36 Ca 0.10 0.02 0.12 0.00 0.00 0.00 0.00 57.70 57.94 7i1b n MET 36 Cb 0.05 -1.50 0.54 0.00 0.00 0.00 0.00 33.22 32.31 7i1b n MET 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 7i1b n GLU 37 N -1.03 0.02 -0.59 3.17 0.28 -1.15 -3.11 120.64 118.22 7i1b n GLU 37 Ca 0.09 0.07 -0.09 0.00 -0.16 0.00 0.00 57.16 57.07 7i1b n GLU 37 Cb 0.05 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 31.54 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 7i1b n GLN 38 N -1.49 1.96 -3.02 3.44 6.02 -0.89 -4.81 117.38 118.59 7i1b n GLN 38 Ca 0.06 -1.56 -0.44 0.00 -0.01 0.00 0.00 57.00 55.06 7i1b n GLN 38 Cb 0.29 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 7i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 7i1b s GLN 39 N -1.74 3.15 1.04 -1.09 0.74 -1.18 -4.34 119.66 116.23 7i1b s GLN 39 Ca 0.29 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.75 7i1b s GLN 39 Cb 0.24 -4.15 0.21 0.00 1.10 0.00 0.00 33.01 30.42 7i1b s GLN 39 CO 0.06 -1.45 1.08 0.08 -0.55 0.00 0.00 175.29 174.51 7i1b s VAL 40 N 3.19 2.12 -0.07 1.34 1.01 -1.08 -5.03 120.40 121.87 7i1b s VAL 40 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 7i1b s VAL 40 Cb -0.18 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.10 7i1b s VAL 40 CO 0.12 -0.05 0.04 -0.69 0.00 0.00 0.00 175.10 174.51 7i1b s VAL 41 N -2.59 0.13 0.43 2.92 1.01 -1.26 -4.65 120.40 116.40 7i1b s VAL 41 Ca 0.67 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.93 7i1b s VAL 41 Cb -0.23 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.77 7i1b s VAL 41 CO 0.61 0.16 0.59 -0.36 0.00 0.00 0.00 175.10 176.10 7i1b s PHE 42 N 2.07 2.74 -0.45 5.22 0.40 -0.79 -3.06 117.98 124.10 7i1b s PHE 42 Ca 0.04 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 7i1b s PHE 42 Cb -0.13 -2.38 0.12 0.00 0.51 0.00 0.00 43.02 41.15 7i1b s PHE 42 CO -0.05 -0.47 0.20 0.45 0.70 0.00 0.00 175.22 176.05 7i1b s SER 43 N -4.37 4.28 0.47 1.36 0.15 0.29 -1.66 113.70 114.22 7i1b s SER 43 Ca 0.55 -2.67 -0.23 0.00 0.70 0.00 0.00 55.95 54.31 7i1b s SER 43 Cb -0.10 -1.48 -0.07 0.00 -1.71 0.00 0.00 66.02 62.66 7i1b s SER 43 CO 0.33 -0.28 1.18 -0.32 1.20 0.00 0.00 173.24 175.35 7i1b s MET 44 N 0.20 3.70 -0.05 5.44 1.75 0.12 -2.47 119.30 128.00 7i1b s MET 44 Ca 0.15 1.80 -0.02 0.00 -1.25 0.00 0.00 55.69 56.37 7i1b s MET 44 Cb -0.24 -2.38 0.03 0.00 2.84 0.00 0.00 34.83 35.08 7i1b s MET 44 CO -0.03 -0.61 0.04 -1.12 -0.65 0.00 0.00 175.02 172.65 7i1b s SER 45 N -1.35 1.12 -0.47 1.11 0.01 -0.54 0.17 113.70 113.75 7i1b s SER 45 Ca 0.64 0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.65 7i1b s SER 45 Cb -0.29 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.73 7i1b s SER 45 CO 0.35 -0.22 1.45 -0.36 0.41 0.00 0.00 173.24 174.88 7i1b s PHE 46 N 1.97 2.29 0.63 2.43 0.40 -1.12 -1.00 117.98 123.59 7i1b s PHE 46 Ca 0.03 0.60 0.08 0.00 -0.60 0.00 0.00 56.93 57.04 7i1b s PHE 46 Cb -0.12 -4.32 0.11 0.00 0.51 0.00 0.00 43.02 39.20 7i1b s PHE 46 CO -0.03 -2.04 0.88 0.14 0.70 0.00 0.00 175.22 174.86 7i1b s VAL 47 N 5.90 2.00 0.07 -0.44 -7.23 -0.93 -4.45 120.40 115.32 7i1b s VAL 47 Ca 0.59 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 7i1b s VAL 47 Cb -0.13 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 7i1b s VAL 47 CO 0.29 0.00 0.18 -1.10 -0.31 0.00 0.00 175.10 174.17 7i1b s GLN 48 N -4.83 3.31 0.00 4.82 -0.21 0.10 -4.75 119.66 118.10 7i1b s GLN 48 Ca 0.64 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.52 7i1b s GLN 48 Cb -0.05 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.00 7i1b s GLN 48 CO 0.41 0.60 0.00 0.41 -2.12 0.00 0.00 175.29 174.59 7i1b n GLY 49 N 0.30 -1.27 3.55 3.09 0.00 -1.26 -4.66 105.19 104.95 7i1b n GLY 49 Ca -0.06 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 0.42 -3.70 1.61 -0.58 -1.26 -4.87 120.64 112.26 7i1b n GLU 50 Ca 0.00 -1.77 -0.36 0.00 -0.42 0.00 0.00 57.16 54.61 7i1b n GLU 50 Cb 0.00 -3.70 -0.07 0.00 -0.57 0.00 0.00 31.44 27.10 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 7i1b s GLU 51 N 7.85 4.09 0.00 3.49 4.04 -1.26 -4.89 118.70 132.03 7i1b s GLU 51 Ca 0.77 -0.12 0.00 0.00 0.04 0.00 0.00 54.97 55.66 7i1b s GLU 51 Cb -0.01 -3.38 0.00 0.00 0.02 0.00 0.00 34.13 30.76 7i1b s GLU 51 CO 0.20 0.37 0.00 0.45 -1.84 0.00 0.00 175.26 174.43 7i1b n SER 52 N 3.27 0.00 -0.02 0.83 2.88 -1.15 -4.99 113.62 114.45 7i1b n SER 52 Ca -0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.28 7i1b n SER 52 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 7i1b n SER 52 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 7i1b h ASN 53 N 0.00 0.06 0.00 -3.46 -0.73 -2.03 -3.41 115.58 106.00 7i1b h ASN 53 Ca 0.00 -0.12 -0.14 0.00 1.87 0.00 0.00 56.30 57.91 7i1b h ASN 53 Cb 0.00 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 7i1b h ASN 53 CO 0.00 1.11 -1.51 0.47 -0.37 0.00 0.00 177.43 177.13 7i1b n ASP 54 N -3.11 3.25 -4.61 1.15 9.92 -1.26 -4.95 116.55 116.95 7i1b n ASP 54 Ca -0.18 -0.03 -0.43 0.00 -0.53 0.00 0.00 54.79 53.62 7i1b n ASP 54 Cb 1.05 0.22 -0.03 0.00 -0.64 0.00 0.00 41.12 41.72 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 7i1b s LYS 55 N -2.18 3.31 -0.64 -1.24 -0.14 -1.26 -4.45 119.74 113.13 7i1b s LYS 55 Ca -0.09 1.81 0.03 0.00 -1.36 0.00 0.00 55.97 56.36 7i1b s LYS 55 Cb 0.03 -4.27 0.16 0.00 -1.68 0.00 0.00 37.83 32.06 7i1b s LYS 55 CO 0.25 -1.90 0.43 0.42 -0.76 0.00 0.00 175.35 173.79 7i1b s ILE 56 N 7.36 3.08 0.03 2.17 1.01 -1.02 -2.92 121.20 130.92 7i1b s ILE 56 Ca 0.90 -3.66 -0.30 0.00 0.00 0.00 0.00 60.65 57.59 7i1b s ILE 56 Cb -0.29 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 7i1b s ILE 56 CO 0.35 -0.92 1.92 -2.84 0.00 0.00 0.00 174.94 173.45 7i1b s PRO 57 N -0.78 4.15 0.00 2.79 0.02 -1.26 -2.30 135.00 137.62 7i1b s PRO 57 Ca 0.21 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.79 7i1b s PRO 57 Cb -0.16 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.26 7i1b s PRO 57 CO -0.08 -0.93 0.00 1.33 -0.33 0.00 0.00 177.00 176.99 7i1b n VAL 58 N 5.49 0.00 -3.67 3.83 0.24 -0.98 -2.20 118.33 121.04 7i1b n VAL 58 Ca 0.19 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.35 7i1b n VAL 58 Cb 0.41 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.38 -0.38 2.33 0.00 -0.17 -1.94 121.76 119.22 7i1b s ALA 59 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 7i1b s ALA 59 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.23 7i1b s ALA 59 CO 0.00 -0.57 0.63 -0.51 0.00 0.00 0.00 175.76 175.31 7i1b s LEU 60 N 2.26 4.33 -0.09 0.00 1.43 -1.26 -1.47 118.68 123.89 7i1b s LEU 60 Ca 0.01 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 7i1b s LEU 60 Cb -0.12 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.35 7i1b s LEU 60 CO -0.07 -0.65 -0.17 -0.83 0.23 0.00 0.00 176.35 174.86 7i1b s GLY 61 N 1.86 1.04 0.23 -3.19 0.00 -1.03 -2.56 107.32 103.67 7i1b s GLY 61 Ca 0.24 -0.69 -0.32 0.00 0.00 0.00 0.00 44.72 43.94 7i1b s GLY 61 CO 0.16 0.04 1.54 1.04 0.00 0.00 0.00 173.10 175.88 7i1b n LEU 62 N 3.89 3.58 -0.02 0.66 4.77 -1.04 0.10 117.00 128.95 7i1b n LEU 62 Ca -0.20 1.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.77 7i1b n LEU 62 Cb 0.52 -1.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 7i1b n LEU 62 CO 0.26 -0.17 0.73 0.50 -1.33 0.00 0.00 177.39 177.38 7i1b h LYS 63 N 5.12 0.12 0.34 3.23 3.64 -1.82 -3.28 116.57 123.93 7i1b h LYS 63 Ca -0.45 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 7i1b h LYS 63 Cb 1.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 7i1b h LYS 63 CO 0.83 0.40 -0.31 0.93 -2.27 0.00 0.00 179.45 179.02 7i1b h GLU 64 N -0.16 -0.65 -6.16 1.90 5.08 -1.90 -3.44 114.58 109.25 7i1b h GLU 64 Ca 0.02 0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.84 7i1b h GLU 64 Cb 0.34 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 7i1b h GLU 64 CO 0.00 -0.43 -0.68 0.15 -1.00 0.00 0.00 179.01 177.05 7i1b s LYS 65 N -6.03 2.00 -0.16 2.33 1.02 -1.23 -5.01 119.74 112.65 7i1b s LYS 65 Ca -0.16 -1.64 -0.04 0.00 0.02 0.00 0.00 55.97 54.15 7i1b s LYS 65 Cb 0.06 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.35 7i1b s LYS 65 CO 0.63 0.29 2.91 0.27 -0.92 0.00 0.00 175.35 178.54 7i1b n ASN 66 N -0.80 5.74 -4.43 2.83 0.23 -1.26 -3.85 115.26 113.72 7i1b n ASN 66 Ca -0.05 -2.73 -0.44 0.00 -0.53 0.00 0.00 54.58 50.82 7i1b n ASN 66 Cb 0.60 -1.27 -0.06 0.00 -2.08 0.00 0.00 39.78 36.97 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 -0.81 5.10 -0.17 -4.53 1.43 -1.26 -2.59 118.68 115.85 7i1b s LEU 67 Ca 0.48 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 7i1b s LEU 67 Cb 0.27 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 7i1b s LEU 67 CO -0.06 -0.85 0.29 -0.31 0.23 0.00 0.00 176.35 175.65 7i1b s TYR 68 N 2.44 3.45 0.55 0.29 1.51 -0.89 -2.49 117.35 122.21 7i1b s TYR 68 Ca 0.13 0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 56.56 7i1b s TYR 68 Cb -0.20 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.23 7i1b s TYR 68 CO 0.11 0.22 0.89 1.28 -1.11 0.00 0.00 175.55 176.93 7i1b n LEU 69 N 3.66 2.86 -3.74 -1.29 4.32 -1.06 -2.26 117.00 119.49 7i1b n LEU 69 Ca -0.12 0.85 -0.13 0.00 -0.02 0.00 0.00 56.01 56.59 7i1b n LEU 69 Cb 0.52 -1.34 -0.10 0.00 -1.62 0.00 0.00 43.42 40.88 7i1b n LEU 69 CO 0.40 -2.00 0.05 -0.94 -1.22 0.00 0.00 177.39 173.67 7i1b s SER 70 N -1.11 -0.34 -0.22 -1.43 1.04 0.18 -4.38 113.70 107.44 7i1b s SER 70 Ca 0.71 0.59 -0.13 0.00 0.48 0.00 0.00 55.95 57.60 7i1b s SER 70 Cb -0.45 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 7i1b s SER 70 CO 0.51 -0.22 0.25 0.00 0.98 0.00 0.00 173.24 174.76 7i1b s VAL 72 N 1.02 0.14 0.12 0.00 -7.23 -0.94 -4.76 120.40 108.75 7i1b s VAL 72 Ca 0.12 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 7i1b s VAL 72 Cb -0.14 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.82 7i1b s VAL 72 CO 0.05 -0.63 0.96 -0.76 -0.31 0.00 0.00 175.10 174.41 7i1b s LEU 73 N -2.18 4.51 -0.62 1.32 1.43 -1.26 -1.60 118.68 120.28 7i1b s LEU 73 Ca -0.04 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 7i1b s LEU 73 Cb -0.01 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.79 7i1b s LEU 73 CO -0.05 -0.06 0.43 -0.54 0.23 0.00 0.00 176.35 176.37 7i1b s LYS 74 N -0.07 2.05 0.00 1.70 1.02 0.62 -4.72 119.74 120.33 7i1b s LYS 74 Ca 0.47 -2.97 0.00 0.00 0.02 0.00 0.00 55.97 53.49 7i1b s LYS 74 Cb -0.24 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 7i1b s LYS 74 CO 0.30 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 173.19 7i1b n ASP 75 N 2.32 -1.60 -0.08 2.83 8.00 -1.26 -3.63 116.55 123.12 7i1b n ASP 75 Ca 0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 7i1b n ASP 75 Cb 0.37 -0.40 -0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.09 -4.78 -4.11 -2.24 8.00 -1.26 -4.97 116.55 107.27 7i1b n ASP 76 Ca 0.00 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 7i1b n ASP 76 Cb 0.40 -2.38 -0.16 0.00 -0.02 0.00 0.00 41.12 38.96 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 -1.36 2.88 0.48 -1.24 2.20 -1.24 -5.09 119.74 116.38 7i1b s LYS 77 Ca 0.00 -0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 54.58 7i1b s LYS 77 Cb 0.00 -2.51 -0.08 0.00 -1.51 0.00 0.00 37.83 33.73 7i1b s LYS 77 CO 0.00 -0.22 1.22 -2.30 -0.36 0.00 0.00 175.35 173.69 7i1b n PRO 78 N 4.64 1.66 -3.82 4.03 -0.02 -1.26 -0.28 135.00 139.94 7i1b n PRO 78 Ca -0.20 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 7i1b n PRO 78 Cb 0.50 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.28 0.02 -0.11 3.45 2.01 -0.63 -4.71 115.64 114.39 7i1b s THR 79 Ca 0.66 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 7i1b s THR 79 Cb -0.47 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 7i1b s THR 79 CO 0.54 -0.08 0.04 -0.22 -0.69 0.00 0.00 174.62 174.21 7i1b s LEU 80 N -2.92 3.81 0.09 4.42 2.96 -1.26 -2.21 118.68 123.56 7i1b s LEU 80 Ca 0.13 0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 54.05 7i1b s LEU 80 Cb -0.01 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.83 7i1b s LEU 80 CO 0.01 0.36 0.48 -1.58 -1.32 0.00 0.00 176.35 174.30 7i1b s GLN 81 N -0.75 1.07 -0.08 1.98 0.74 -0.31 -4.82 119.66 117.49 7i1b s GLN 81 Ca 0.12 -0.44 -0.13 0.00 0.05 0.00 0.00 55.36 54.96 7i1b s GLN 81 Cb -0.12 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.42 7i1b s GLN 81 CO 0.03 -0.41 0.32 -0.51 -0.55 0.00 0.00 175.29 174.16 7i1b s LEU 82 N -2.36 4.39 -0.04 3.68 1.43 -1.26 0.49 118.68 125.01 7i1b s LEU 82 Ca -0.02 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 7i1b s LEU 82 Cb 0.00 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.84 7i1b s LEU 82 CO -0.07 0.27 0.00 -0.70 0.23 0.00 0.00 176.35 176.09 7i1b s GLU 83 N -0.59 0.33 -0.04 1.70 2.12 -0.96 -4.92 118.70 116.35 7i1b s GLU 83 Ca 0.20 0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 7i1b s GLU 83 Cb -0.15 -0.57 -0.05 0.00 0.26 0.00 0.00 34.13 33.63 7i1b s GLU 83 CO 0.08 -0.17 1.43 0.45 -0.54 0.00 0.00 175.26 176.51 7i1b s SER 84 N 1.24 6.83 0.08 -1.70 0.15 -1.26 -2.10 113.70 116.94 7i1b s SER 84 Ca -0.07 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.64 7i1b s SER 84 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 7i1b s SER 84 CO -0.02 -0.77 0.00 1.33 1.20 0.00 0.00 173.24 174.98 7i1b n VAL 85 N 4.96 0.00 -3.07 4.45 0.24 -1.07 -4.96 118.33 118.88 7i1b n VAL 85 Ca 0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.02 7i1b n VAL 85 Cb 0.44 -1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 31.60 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 -1.00 6.45 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.54 7i1b s ASP 86 Ca 0.00 0.18 0.06 0.00 -0.52 0.00 0.00 52.55 52.27 7i1b s ASP 86 Cb 0.00 -2.34 0.29 0.00 -1.46 0.00 0.00 42.92 39.40 7i1b s ASP 86 CO 0.00 -0.64 1.15 -0.81 0.52 0.00 0.00 175.17 175.39 7i1b n PRO 87 N 6.15 0.03 -0.09 4.34 -0.04 -1.26 -0.83 135.00 143.30 7i1b n PRO 87 Ca -0.00 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.59 7i1b n PRO 87 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.42 0.68 0.06 0.54 5.02 -1.26 -4.57 118.16 117.20 7i1b n LYS 88 Ca 0.02 0.21 -0.22 0.00 -2.02 0.00 0.00 58.31 56.30 7i1b n LYS 88 Cb 0.06 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.34 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 -0.10 0.55 -3.17 4.39 -0.26 -1.88 -3.46 115.58 111.65 7i1b h ASN 89 Ca -0.53 -0.91 -0.58 0.00 -0.56 0.00 0.00 56.30 53.72 7i1b h ASN 89 Cb 1.90 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 38.94 7i1b h ASN 89 CO -0.07 1.67 -0.28 -0.31 -1.06 0.00 0.00 177.43 177.39 7i1b s TYR 90 N -2.53 3.50 0.59 1.19 2.02 -0.01 -3.86 117.35 118.25 7i1b s TYR 90 Ca -0.16 0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 57.03 7i1b s TYR 90 Cb 0.04 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 7i1b s TYR 90 CO 0.83 0.44 1.05 -1.25 -1.57 0.00 0.00 175.55 175.06 7i1b s PRO 91 N -2.45 3.37 0.01 -1.71 0.04 -1.26 -4.55 135.00 128.44 7i1b s PRO 91 Ca 0.39 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 7i1b s PRO 91 Cb -0.12 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 7i1b s PRO 91 CO 0.22 -0.76 0.05 0.21 0.04 0.00 0.00 177.00 176.77 7i1b s LYS 92 N -4.18 0.36 0.58 4.56 2.47 -1.25 -5.00 119.74 117.27 7i1b s LYS 92 Ca 0.62 -0.44 0.33 0.00 -1.56 0.00 0.00 55.97 54.92 7i1b s LYS 92 Cb -0.15 0.14 1.38 0.00 -1.46 0.00 0.00 37.83 37.74 7i1b s LYS 92 CO 0.38 -0.07 1.67 1.57 0.16 0.00 0.00 175.35 179.06 7i1b h LYS 93 N 4.64 0.00 -6.74 4.03 2.10 -1.92 -3.38 116.57 115.29 7i1b h LYS 93 Ca -0.31 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.66 7i1b h LYS 93 Cb 1.20 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.32 7i1b h LYS 93 CO 0.41 0.00 -0.83 0.21 -2.00 0.00 0.00 179.45 177.24 7i1b s LYS 94 N -4.69 1.74 -0.09 0.07 2.20 -1.26 0.02 119.74 117.73 7i1b s LYS 94 Ca -0.04 -1.17 -0.12 0.00 -0.36 0.00 0.00 55.97 54.28 7i1b s LYS 94 Cb 0.19 -2.05 0.03 0.00 -1.51 0.00 0.00 37.83 34.48 7i1b s LYS 94 CO 0.64 0.49 0.31 -1.64 -0.36 0.00 0.00 175.35 174.79 7i1b s MET 95 N -1.84 0.46 0.72 4.03 -1.94 -1.26 -4.99 119.30 114.48 7i1b s MET 95 Ca 0.15 0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 54.23 7i1b s MET 95 Cb -0.10 0.21 0.02 0.00 2.01 0.00 0.00 34.83 36.97 7i1b s MET 95 CO 0.07 -0.08 1.11 0.39 -0.01 0.00 0.00 175.02 176.49 7i1b n GLU 96 N 2.44 0.60 -0.13 2.03 -0.58 -1.26 -4.66 120.64 119.08 7i1b n GLU 96 Ca -0.15 0.27 0.19 0.00 -0.42 0.00 0.00 57.16 57.04 7i1b n GLU 96 Cb 0.57 -2.35 0.58 0.00 -0.57 0.00 0.00 31.44 29.67 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 7i1b h LYS 97 N -0.18 0.24 -0.86 3.49 1.79 -1.91 0.16 116.57 119.29 7i1b h LYS 97 Ca -0.48 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.07 7i1b h LYS 97 Cb 1.33 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.85 7i1b h LYS 97 CO 0.48 0.16 0.51 0.00 -1.08 0.00 0.00 179.45 179.52 7i1b h ARG 98 N 0.25 0.82 0.00 3.15 3.08 -1.88 -1.34 114.38 118.46 7i1b h ARG 98 Ca 0.36 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.36 7i1b h ARG 98 Cb 1.04 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.91 7i1b h ARG 98 CO -0.08 0.54 -0.59 1.19 -1.07 0.00 0.00 179.97 179.96 7i1b n PHE 99 N -4.71 0.03 -3.21 3.04 3.72 -0.05 -2.82 117.46 113.45 7i1b n PHE 99 Ca 0.15 0.01 -0.39 0.00 -0.05 0.00 0.00 57.45 57.17 7i1b n PHE 99 Cb 0.29 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.54 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 -3.01 5.10 -0.15 -4.37 1.01 -0.50 -4.33 120.40 114.14 7i1b s VAL 100 Ca 0.10 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 7i1b s VAL 100 Cb 0.17 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.68 7i1b s VAL 100 CO 0.73 0.32 -0.08 -0.36 0.00 0.00 0.00 175.10 175.71 7i1b s PHE 101 N 0.52 1.81 -0.63 5.22 0.40 -0.82 -2.27 117.98 122.21 7i1b s PHE 101 Ca 0.31 -1.06 -0.26 0.00 -0.60 0.00 0.00 56.93 55.31 7i1b s PHE 101 Cb -0.16 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 7i1b s PHE 101 CO 0.14 -0.61 1.94 -0.80 0.70 0.00 0.00 175.22 176.59 7i1b s ASN 102 N 1.60 5.14 -0.64 1.36 -0.87 -0.81 -2.32 114.94 118.41 7i1b s ASN 102 Ca 0.03 0.30 -0.28 0.00 -1.57 0.00 0.00 52.86 51.35 7i1b s ASN 102 Cb -0.14 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.58 7i1b s ASN 102 CO -0.09 -2.50 1.32 -0.75 -2.57 0.00 0.00 177.10 172.51 7i1b s LYS 103 N 7.21 3.29 0.41 -0.60 2.20 -0.97 -2.62 119.74 128.66 7i1b s LYS 103 Ca 0.71 0.14 0.07 0.00 -0.36 0.00 0.00 55.97 56.53 7i1b s LYS 103 Cb -0.12 -4.12 0.01 0.00 -1.51 0.00 0.00 37.83 32.08 7i1b s LYS 103 CO 0.19 -1.98 0.57 0.42 -0.36 0.00 0.00 175.35 174.19 7i1b s ILE 104 N 5.74 3.27 -0.09 5.43 1.01 -0.49 -2.43 121.20 133.64 7i1b s ILE 104 Ca 0.44 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.17 7i1b s ILE 104 Cb -0.09 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.27 7i1b s ILE 104 CO 0.21 -0.05 -0.23 -1.61 0.00 0.00 0.00 174.94 173.26 7i1b s GLU 105 N -4.35 2.85 -0.17 2.79 8.01 -1.26 -1.87 118.70 124.70 7i1b s GLU 105 Ca 0.53 -0.83 -0.04 0.00 0.01 0.00 0.00 54.97 54.64 7i1b s GLU 105 Cb -0.10 -2.18 0.08 0.00 -4.31 0.00 0.00 34.13 27.61 7i1b s GLU 105 CO 0.33 0.18 0.17 0.42 0.01 0.00 0.00 175.26 176.37 7i1b s ILE 106 N 0.33 -0.25 -1.36 -1.63 1.01 0.47 -4.87 121.20 114.90 7i1b s ILE 106 Ca -0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 7i1b s ILE 106 Cb -0.17 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.74 7i1b s ILE 106 CO 0.08 -0.17 0.97 -3.20 0.00 0.00 0.00 174.94 172.62 7i1b n ASN 107 N 5.31 -3.64 0.00 3.58 2.85 -1.26 -0.53 115.26 121.57 7i1b n ASN 107 Ca -0.06 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 7i1b n ASN 107 Cb 0.49 -4.50 0.00 0.00 1.24 0.00 0.00 39.78 37.01 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 7i1b n ASN 108 N -3.01 -3.31 -4.83 1.20 3.02 -1.26 -4.98 115.26 102.09 7i1b n ASN 108 Ca -0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.20 7i1b n ASN 108 Cb 0.61 -1.82 -0.04 0.00 -0.61 0.00 0.00 39.78 37.92 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 7i1b s LYS 109 N -0.88 2.44 0.18 3.52 1.02 0.31 -4.98 119.74 121.36 7i1b s LYS 109 Ca 0.00 -1.63 0.09 0.00 0.02 0.00 0.00 55.97 54.45 7i1b s LYS 109 Cb 0.00 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 7i1b s LYS 109 CO 0.00 -0.16 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.66 7i1b s LEU 110 N -4.06 2.99 -0.14 3.17 1.43 0.65 -0.40 118.68 122.32 7i1b s LEU 110 Ca 0.46 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 7i1b s LEU 110 Cb -0.01 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.60 7i1b s LEU 110 CO 0.26 0.10 0.12 -0.70 0.23 0.00 0.00 176.35 176.37 7i1b s GLU 111 N -2.83 0.06 -0.39 1.70 2.12 -0.78 -0.27 118.70 118.31 7i1b s GLU 111 Ca 0.25 0.14 -0.18 0.00 0.36 0.00 0.00 54.97 55.54 7i1b s GLU 111 Cb -0.09 -1.27 0.01 0.00 0.26 0.00 0.00 34.13 33.03 7i1b s GLU 111 CO 0.15 -0.56 0.48 -0.06 -0.54 0.00 0.00 175.26 174.73 7i1b s PHE 112 N 2.20 3.16 -0.15 5.30 0.08 -1.26 -1.39 117.98 125.93 7i1b s PHE 112 Ca 0.04 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 7i1b s PHE 112 Cb -0.15 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 7i1b s PHE 112 CO -0.08 -0.62 0.13 -2.00 -0.10 0.00 0.00 175.22 172.54 7i1b s GLU 113 N 2.30 3.74 -0.41 0.44 2.12 -1.08 -2.47 118.70 123.35 7i1b s GLU 113 Ca 0.16 -0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.03 7i1b s GLU 113 Cb -0.16 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 7i1b s GLU 113 CO 0.14 0.56 1.98 0.45 -0.54 0.00 0.00 175.26 177.85 7i1b s SER 114 N -0.41 5.43 0.60 -1.70 0.15 -0.19 -1.92 113.70 115.65 7i1b s SER 114 Ca 0.12 1.12 0.20 0.00 0.70 0.00 0.00 55.95 58.09 7i1b s SER 114 Cb -0.12 -2.52 1.09 0.00 -1.71 0.00 0.00 66.02 62.77 7i1b s SER 114 CO 0.01 -2.11 1.59 0.00 1.20 0.00 0.00 173.24 173.93 7i1b h ALA 115 N 14.85 1.45 0.01 5.45 0.00 -1.59 -0.43 119.26 139.00 7i1b h ALA 115 Ca -0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 7i1b h ALA 115 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 7i1b h ALA 115 CO 1.09 -0.45 -0.01 0.37 0.00 0.00 0.00 179.25 180.25 7i1b h GLN 116 N 0.00 -0.02 -3.89 0.00 4.15 -1.80 -3.42 115.11 110.13 7i1b h GLN 116 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.72 7i1b h GLN 116 Cb 0.96 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.31 7i1b h GLN 116 CO 0.00 0.41 -0.41 -0.06 -1.93 0.00 0.00 178.83 176.84 7i1b s PHE 117 N -1.94 3.47 0.67 3.99 0.08 -0.18 -5.08 117.98 119.00 7i1b s PHE 117 Ca -0.08 -2.57 -0.17 0.00 0.12 0.00 0.00 56.93 54.22 7i1b s PHE 117 Cb -0.01 -3.24 -0.00 0.00 -0.57 0.00 0.00 43.02 39.20 7i1b s PHE 117 CO 0.31 -0.89 1.24 -2.30 -0.10 0.00 0.00 175.22 173.48 7i1b n PRO 118 N 3.88 0.95 -0.04 0.24 -0.02 -1.21 -2.22 135.00 136.58 7i1b n PRO 118 Ca 0.04 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 7i1b n PRO 118 Cb 0.39 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 7i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 7i1b n ASN 119 N -1.99 0.00 -4.32 2.55 3.02 -1.26 -4.99 115.26 108.27 7i1b n ASN 119 Ca 0.15 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 7i1b n ASN 119 Cb 0.48 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.77 3.07 0.47 3.10 0.52 -0.94 -4.60 118.94 117.78 7i1b s TRP 120 Ca 0.00 -1.00 0.04 0.00 0.02 0.00 0.00 56.10 55.16 7i1b s TRP 120 Cb 0.00 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 7i1b s TRP 120 CO 0.00 -0.57 0.10 0.71 0.02 0.00 0.00 176.95 177.22 7i1b s TYR 121 N 1.48 2.14 -0.37 -1.98 1.51 -0.58 -1.02 117.35 118.52 7i1b s TYR 121 Ca 0.04 -0.79 -0.29 0.00 -1.01 0.00 0.00 57.07 55.01 7i1b s TYR 121 Cb -0.16 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 7i1b s TYR 121 CO -0.00 0.16 1.27 0.42 -1.11 0.00 0.00 175.55 176.29 7i1b s ILE 122 N -2.76 4.14 0.24 2.71 1.01 -1.03 -0.93 121.20 124.58 7i1b s ILE 122 Ca 0.25 1.24 0.08 0.00 0.00 0.00 0.00 60.65 62.21 7i1b s ILE 122 Cb 0.03 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 7i1b s ILE 122 CO 0.13 -0.66 0.11 -0.44 0.00 0.00 0.00 174.94 174.09 7i1b s SER 123 N 2.88 5.14 0.08 3.58 0.01 0.42 -4.50 113.70 121.31 7i1b s SER 123 Ca 0.54 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.45 7i1b s SER 123 Cb -0.13 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 7i1b s SER 123 CO 0.26 -0.01 -0.08 0.42 0.41 0.00 0.00 173.24 174.24 7i1b s THR 124 N -2.14 0.75 -0.32 1.44 -4.23 0.86 -2.52 115.64 109.49 7i1b s THR 124 Ca 0.32 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 7i1b s THR 124 Cb -0.08 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 7i1b s THR 124 CO 0.23 -0.58 0.22 -0.55 -0.54 0.00 0.00 174.62 173.39 7i1b s SER 125 N -2.32 6.04 0.59 3.99 0.15 -1.26 -2.44 113.70 118.44 7i1b s SER 125 Ca 0.02 -0.26 0.34 0.00 0.70 0.00 0.00 55.95 56.76 7i1b s SER 125 Cb -0.03 -2.13 1.28 0.00 -1.71 0.00 0.00 66.02 63.43 7i1b s SER 125 CO -0.01 -0.16 1.50 -0.61 1.20 0.00 0.00 173.24 175.16 7i1b h GLN 126 N 8.44 0.00 -6.36 5.44 4.15 -1.96 -3.41 115.11 121.41 7i1b h GLN 126 Ca -0.33 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.61 7i1b h GLN 126 Cb 1.17 0.00 0.25 0.00 0.21 0.00 0.00 27.48 29.11 7i1b h GLN 126 CO 0.60 0.00 -1.82 0.00 -1.93 0.00 0.00 178.83 175.68 7i1b n ALA 127 N -2.49 -4.89 -2.43 3.38 0.00 -1.26 -4.95 120.51 107.86 7i1b n ALA 127 Ca 0.27 -1.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.12 7i1b n ALA 127 Cb 1.53 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.77 3.73 -0.97 0.00 2.02 -1.26 -4.41 118.70 115.04 7i1b s GLU 128 Ca 0.47 0.18 -0.12 0.00 0.02 0.00 0.00 54.97 55.52 7i1b s GLU 128 Cb -0.03 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.60 7i1b s GLU 128 CO 0.67 0.23 0.69 -1.71 0.02 0.00 0.00 175.26 175.16 7i1b n ASN 129 N -0.62 -5.36 -4.16 -0.19 2.85 -1.26 -4.96 115.26 101.55 7i1b n ASN 129 Ca -0.00 -0.89 -0.33 0.00 -0.11 0.00 0.00 54.58 53.24 7i1b n ASN 129 Cb 0.53 -2.77 -0.15 0.00 1.24 0.00 0.00 39.78 38.63 7i1b n ASN 129 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 7i1b s MET 130 N -5.36 3.04 0.42 1.20 0.23 -1.26 -5.03 119.30 112.55 7i1b s MET 130 Ca 0.23 -0.81 -0.25 0.00 -1.03 0.00 0.00 55.69 53.82 7i1b s MET 130 Cb -0.10 -2.70 -0.08 0.00 -1.53 0.00 0.00 34.83 30.42 7i1b s MET 130 CO 0.88 -0.23 1.30 -1.25 -2.03 0.00 0.00 175.02 173.68 7i1b s PRO 131 N 1.33 3.89 0.52 3.16 0.04 -1.26 -2.63 135.00 140.04 7i1b s PRO 131 Ca 0.04 2.13 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 7i1b s PRO 131 Cb -0.14 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 7i1b s PRO 131 CO -0.10 -0.55 1.09 0.08 0.04 0.00 0.00 177.00 177.56 7i1b s VAL 132 N -1.29 3.41 0.38 -0.36 1.01 -0.38 -4.75 120.40 118.43 7i1b s VAL 132 Ca 0.59 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 7i1b s VAL 132 Cb -0.37 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.69 7i1b s VAL 132 CO 0.48 -0.18 0.69 0.72 0.00 0.00 0.00 175.10 176.80 7i1b s PHE 133 N -1.85 0.47 -0.21 5.22 -0.71 -1.05 -4.85 117.98 115.00 7i1b s PHE 133 Ca 0.70 -1.01 -0.10 0.00 -1.04 0.00 0.00 56.93 55.49 7i1b s PHE 133 Cb -0.21 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 7i1b s PHE 133 CO 0.24 -1.45 0.13 -1.17 -1.34 0.00 0.00 175.22 171.63 7i1b s LEU 134 N -3.14 4.07 0.41 -1.99 2.96 -1.26 -0.43 118.68 119.30 7i1b s LEU 134 Ca 0.21 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 7i1b s LEU 134 Cb -0.04 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 7i1b s LEU 134 CO 0.15 0.13 0.13 -0.83 -1.32 0.00 0.00 176.35 174.61 7i1b s GLY 135 N 0.69 2.64 -0.34 7.98 0.00 -0.10 -4.61 107.32 113.58 7i1b s GLY 135 Ca 0.07 -1.21 0.13 0.00 0.00 0.00 0.00 44.72 43.71 7i1b s GLY 135 CO 0.01 -1.83 1.07 0.61 0.00 0.00 0.00 173.10 172.96 7i1b n GLY 136 N -0.92 3.69 2.42 0.20 0.00 -1.26 -1.53 105.19 107.78 7i1b n GLY 136 Ca -0.06 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 -4.21 0.25 0.08 2.61 2.01 -1.26 -5.00 115.64 110.11 7i1b s THR 137 Ca 0.37 -2.31 -0.31 0.00 0.31 0.00 0.00 61.69 59.75 7i1b s THR 137 Cb 0.41 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.64 7i1b s THR 137 CO -0.04 -1.15 1.64 -0.54 -0.69 0.00 0.00 174.62 173.84 7i1b s LYS 138 N 0.41 4.20 7.96 4.92 3.01 -1.26 -4.54 119.74 134.44 7i1b s LYS 138 Ca 0.28 2.33 0.00 0.00 -1.01 0.00 0.00 55.97 57.57 7i1b s LYS 138 Cb -0.05 -3.56 0.00 0.00 -1.01 0.00 0.00 37.83 33.21 7i1b s LYS 138 CO -0.13 -0.72 0.00 0.41 0.51 0.00 0.00 175.35 175.42 7i1b n GLY 139 N 3.97 3.93 7.00 -3.33 0.00 -1.24 -4.86 105.19 110.65 7i1b n GLY 139 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 3.21 0.02 -0.02 0.00 -1.26 -1.59 105.19 105.54 7i1b n GLY 140 Ca 0.00 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 12.65 0.63 -3.68 1.61 0.00 -1.26 -4.96 117.38 122.37 7i1b n GLN 141 Ca 0.00 -0.14 -0.31 0.00 -0.00 0.00 0.00 57.00 56.55 7i1b n GLN 141 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 30.24 28.78 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 -4.12 6.48 -0.23 1.69 1.11 -0.62 -4.81 116.67 116.17 7i1b s ASP 142 Ca -0.07 0.56 -0.17 0.00 0.18 0.00 0.00 52.55 53.06 7i1b s ASP 142 Cb 0.10 -2.08 -0.03 0.00 1.07 0.00 0.00 42.92 41.98 7i1b s ASP 142 CO 0.71 0.05 0.47 -0.63 1.18 0.00 0.00 175.17 176.95 7i1b s ILE 143 N -1.68 5.12 0.00 0.77 1.01 -1.02 -3.64 121.20 121.76 7i1b s ILE 143 Ca 0.41 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.89 7i1b s ILE 143 Cb -0.12 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.55 7i1b s ILE 143 CO 0.25 0.16 0.00 0.35 0.00 0.00 0.00 174.94 175.71 7i1b n THR 144 N 4.74 0.00 -1.49 2.92 -2.24 -1.26 -0.09 114.28 116.86 7i1b n THR 144 Ca -0.06 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 7i1b n THR 144 Cb 0.50 0.67 0.11 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.54 4.05 0.22 3.42 1.47 -1.26 -4.55 116.67 118.47 7i1b s ASP 145 Ca 0.00 1.25 -0.06 0.00 1.18 0.00 0.00 52.55 54.92 7i1b s ASP 145 Cb 0.00 -1.93 0.02 0.00 -0.34 0.00 0.00 42.92 40.67 7i1b s ASP 145 CO 0.00 -2.24 0.39 0.49 0.68 0.00 0.00 175.17 174.48 7i1b n PHE 146 N -3.60 -1.49 -3.56 2.11 3.72 0.62 -4.30 117.46 110.96 7i1b n PHE 146 Ca 0.07 -1.17 -0.05 0.00 -0.05 0.00 0.00 57.45 56.24 7i1b n PHE 146 Cb 0.57 0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 39.49 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 -2.55 -0.77 0.28 4.37 -4.23 -0.10 -0.25 115.64 112.39 7i1b s THR 147 Ca 0.12 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.68 7i1b s THR 147 Cb -0.02 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 7i1b s THR 147 CO 0.09 0.02 0.50 -0.32 -0.54 0.00 0.00 174.62 174.37 7i1b s MET 148 N 2.70 3.57 -0.05 3.99 1.75 -1.26 -1.58 119.30 128.41 7i1b s MET 148 Ca 0.02 -0.17 -0.02 0.00 -1.25 0.00 0.00 55.69 54.27 7i1b s MET 148 Cb -0.13 -2.71 0.04 0.00 2.84 0.00 0.00 34.83 34.87 7i1b s MET 148 CO -0.16 0.25 0.10 -1.14 -0.65 0.00 0.00 175.02 173.43 7i1b s GLN 149 N -3.64 0.01 0.62 4.11 0.74 -1.07 -4.98 119.66 115.44 7i1b s GLN 149 Ca 0.41 0.37 -0.18 0.00 0.05 0.00 0.00 55.36 56.01 7i1b s GLN 149 Cb -0.11 -0.28 -0.02 0.00 1.10 0.00 0.00 33.01 33.70 7i1b s GLN 149 CO 0.31 -0.23 1.24 -0.06 -0.55 0.00 0.00 175.29 176.00 7i1b s PHE 150 N 1.57 2.26 0.03 1.67 0.40 -1.26 -2.17 117.98 120.47 7i1b s PHE 150 Ca -0.04 1.50 -0.01 0.00 -0.60 0.00 0.00 56.93 57.79 7i1b s PHE 150 Cb -0.12 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 39.82 7i1b s PHE 150 CO -0.05 -2.50 -0.02 0.14 0.70 0.00 0.00 175.22 173.49 7i1b s VAL 151 N -1.53 0.16 0.24 -0.44 -7.23 -1.11 -4.85 120.40 105.64 7i1b s VAL 151 Ca 0.79 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 7i1b s VAL 151 Cb -0.33 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 7i1b s VAL 151 CO 0.36 -0.72 0.44 -0.94 -0.31 0.00 0.00 175.10 173.93 7i1b s SER 152 N -2.12 6.37 0.00 4.85 1.04 -1.26 -4.75 113.70 117.83 7i1b s SER 152 Ca -0.06 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.80 7i1b s SER 152 Cb -0.02 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.08 7i1b s SER 152 CO -0.05 -0.11 0.00 -1.20 0.98 0.00 0.00 173.24 172.86