#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 0.74 -3.28 0.00 -0.04 -1.26 -4.78 135.00 126.38 7i1b n PRO 2 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 7i1b n PRO 2 Cb 0.00 -1.13 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 7i1b n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 7i1b s VAL 3 N 0.30 1.91 -0.23 0.52 -7.23 -1.26 -4.99 120.40 109.41 7i1b s VAL 3 Ca 0.00 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 7i1b s VAL 3 Cb 0.00 -2.04 0.06 0.00 0.56 0.00 0.00 36.38 34.96 7i1b s VAL 3 CO 0.00 0.00 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.61 7i1b s ARG 4 N -4.60 1.64 0.50 4.82 1.81 -1.26 -5.07 118.95 116.79 7i1b s ARG 4 Ca 0.54 -1.00 -0.01 0.00 -1.72 0.00 0.00 55.73 53.55 7i1b s ARG 4 Cb -0.04 -2.60 0.01 0.00 -0.45 0.00 0.00 34.95 31.87 7i1b s ARG 4 CO 0.34 -0.60 0.74 -1.12 -0.68 0.00 0.00 175.30 173.98 7i1b s SER 5 N 1.39 5.65 -0.27 0.23 0.01 -1.26 -2.75 113.70 116.69 7i1b s SER 5 Ca -0.06 0.29 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 7i1b s SER 5 Cb -0.19 -1.40 0.12 0.00 0.21 0.00 0.00 66.02 64.76 7i1b s SER 5 CO -0.06 -0.88 0.59 -0.22 0.41 0.00 0.00 173.24 173.08 7i1b s LEU 6 N -4.68 -1.02 0.23 2.44 2.96 0.11 -4.97 118.68 113.75 7i1b s LEU 6 Ca 0.51 1.41 -0.30 0.00 -0.22 0.00 0.00 54.13 55.54 7i1b s LEU 6 Cb -0.10 2.05 -0.09 0.00 0.50 0.00 0.00 46.19 48.55 7i1b s LEU 6 CO 0.39 -0.22 1.14 0.20 -1.32 0.00 0.00 176.35 176.54 7i1b s ASN 7 N 2.82 7.19 -0.11 3.68 0.01 -1.26 0.17 114.94 127.44 7i1b s ASN 7 Ca -0.05 2.23 -0.30 0.00 -0.71 0.00 0.00 52.86 54.03 7i1b s ASN 7 Cb -0.12 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.02 7i1b s ASN 7 CO -0.17 -0.25 0.85 0.00 -1.51 0.00 0.00 177.10 176.01 7i1b s THR 9 N -1.11 2.49 0.04 0.00 -4.23 -0.81 -1.77 115.64 110.26 7i1b s THR 9 Ca -0.06 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 7i1b s THR 9 Cb -0.00 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 7i1b s THR 9 CO 0.05 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.23 7i1b s LEU 10 N -4.38 2.18 -0.11 4.79 1.43 -1.26 -2.56 118.68 118.76 7i1b s LEU 10 Ca 0.53 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 7i1b s LEU 10 Cb -0.06 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.57 7i1b s LEU 10 CO 0.32 0.03 0.30 -0.60 0.23 0.00 0.00 176.35 176.63 7i1b s ARG 11 N -1.18 0.35 0.82 1.70 3.52 -0.47 -3.74 118.95 119.95 7i1b s ARG 11 Ca 0.02 0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 55.93 7i1b s ARG 11 Cb -0.08 0.15 0.09 0.00 -1.56 0.00 0.00 34.95 33.55 7i1b s ARG 11 CO 0.01 -0.05 1.17 0.16 -0.81 0.00 0.00 175.30 175.78 7i1b s ASP 12 N 0.26 4.38 0.00 -2.12 -4.77 -0.58 -0.10 116.67 113.74 7i1b s ASP 12 Ca -0.01 0.82 0.00 0.00 -3.30 0.00 0.00 52.55 50.06 7i1b s ASP 12 Cb -0.03 -1.33 0.00 0.00 -1.09 0.00 0.00 42.92 40.47 7i1b s ASP 12 CO -0.00 -1.99 0.59 -1.54 0.70 0.00 0.00 175.17 172.93 7i1b n SER 13 N -3.38 1.76 -0.24 2.11 3.41 -1.26 -2.13 113.62 113.90 7i1b n SER 13 Ca 0.08 -1.21 0.01 0.00 -0.26 0.00 0.00 58.87 57.49 7i1b n SER 13 Cb 0.61 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.68 0.44 -1.09 4.33 7.27 -1.26 -4.98 117.38 122.76 7i1b n GLN 14 Ca 0.00 -1.11 -0.03 0.00 0.07 0.00 0.00 57.00 55.93 7i1b n GLN 14 Cb 0.30 -0.68 -0.01 0.00 2.41 0.00 0.00 30.24 32.25 7i1b n GLN 14 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 7i1b n GLN 15 N -0.24 -1.10 -3.53 3.69 1.13 -0.90 -4.99 117.38 111.43 7i1b n GLN 15 Ca 0.02 0.46 -0.33 0.00 -1.94 0.00 0.00 57.00 55.21 7i1b n GLN 15 Cb 0.59 -4.38 -0.05 0.00 0.11 0.00 0.00 30.24 26.50 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 7i1b s LYS 16 N -1.67 3.76 0.44 -1.09 1.02 -1.26 -4.56 119.74 116.38 7i1b s LYS 16 Ca 0.00 0.17 0.07 0.00 0.02 0.00 0.00 55.97 56.23 7i1b s LYS 16 Cb 0.00 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 7i1b s LYS 16 CO 0.00 0.45 0.25 -1.12 -0.92 0.00 0.00 175.35 174.00 7i1b s SER 17 N -2.13 4.57 -0.14 2.83 0.01 -0.91 -1.53 113.70 116.39 7i1b s SER 17 Ca 0.40 -1.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.52 7i1b s SER 17 Cb -0.13 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 7i1b s SER 17 CO 0.21 -0.66 0.14 -0.76 0.41 0.00 0.00 173.24 172.58 7i1b s LEU 18 N -4.01 4.34 0.02 2.44 1.43 -1.25 -2.30 118.68 119.36 7i1b s LEU 18 Ca 0.40 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 7i1b s LEU 18 Cb 0.01 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 7i1b s LEU 18 CO 0.23 0.34 -0.10 0.68 0.23 0.00 0.00 176.35 177.72 7i1b s VAL 19 N -0.62 0.79 -0.46 -1.59 -7.23 0.49 -2.63 120.40 109.15 7i1b s VAL 19 Ca 0.13 -0.77 -0.26 0.00 -1.81 0.00 0.00 61.98 59.28 7i1b s VAL 19 Cb -0.12 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 36.12 7i1b s VAL 19 CO 0.02 -0.02 0.93 -0.32 -0.31 0.00 0.00 175.10 175.41 7i1b s MET 20 N -0.88 3.54 -0.00 4.82 1.75 -1.26 -0.13 119.30 127.13 7i1b s MET 20 Ca -0.01 0.18 0.21 0.00 -1.25 0.00 0.00 55.69 54.82 7i1b s MET 20 Cb -0.06 -3.93 -0.16 0.00 2.84 0.00 0.00 34.83 33.51 7i1b s MET 20 CO 0.00 -1.23 0.93 0.45 -0.65 0.00 0.00 175.02 174.53 7i1b n SER 21 N 7.19 0.92 -3.05 1.11 2.88 -1.10 -4.98 113.62 116.59 7i1b n SER 21 Ca 0.06 -0.89 -0.13 0.00 -1.33 0.00 0.00 58.87 56.58 7i1b n SER 21 Cb 0.49 0.96 -0.02 0.00 -0.75 0.00 0.00 64.21 64.89 7i1b n SER 21 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 7i1b s GLY 22 N -3.06 1.21 0.06 0.46 0.00 -1.15 -4.99 107.32 99.85 7i1b s GLY 22 Ca 0.08 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.19 7i1b s GLY 22 CO 0.86 -0.80 1.45 -2.55 0.00 0.00 0.00 173.10 172.06 7i1b h PRO 23 N 2.05 -0.84 -0.79 2.90 0.11 -2.03 -3.20 132.00 130.19 7i1b h PRO 23 Ca -0.30 0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.31 7i1b h PRO 23 Cb 1.24 0.19 -0.36 0.00 0.11 0.00 0.00 31.00 32.18 7i1b h PRO 23 CO 0.40 -0.56 -0.26 0.66 -0.21 0.00 0.00 178.00 178.03 7i1b n TYR 24 N -4.90 2.77 -4.17 0.65 4.01 -1.26 -4.99 117.16 109.27 7i1b n TYR 24 Ca -0.11 -2.42 -0.16 0.00 -0.16 0.00 0.00 57.90 55.05 7i1b n TYR 24 Cb 0.39 -0.69 -0.14 0.00 -0.31 0.00 0.00 39.34 38.59 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 -3.64 0.45 0.12 -0.72 2.02 -1.21 -4.45 118.70 111.27 7i1b s GLU 25 Ca 0.55 -0.22 0.06 0.00 0.02 0.00 0.00 54.97 55.37 7i1b s GLU 25 Cb 0.44 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 7i1b s GLU 25 CO 0.02 0.12 -0.14 -0.51 0.02 0.00 0.00 175.26 174.77 7i1b s LEU 26 N -0.19 2.41 0.00 1.80 1.43 -1.26 -2.71 118.68 120.16 7i1b s LEU 26 Ca 0.02 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 7i1b s LEU 26 Cb -0.02 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 7i1b s LEU 26 CO -0.00 -0.15 -0.04 -0.54 0.23 0.00 0.00 176.35 175.84 7i1b s LYS 27 N -2.74 0.32 -0.32 1.70 1.02 0.81 -2.37 119.74 118.17 7i1b s LYS 27 Ca 0.09 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 55.80 7i1b s LYS 27 Cb -0.04 -0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 7i1b s LYS 27 CO 0.03 0.07 0.12 0.00 -0.92 0.00 0.00 175.35 174.65 7i1b s ALA 28 N -0.25 3.14 0.31 5.17 0.00 -1.11 -0.38 121.76 128.65 7i1b s ALA 28 Ca -0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 7i1b s ALA 28 Cb -0.02 -2.28 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 7i1b s ALA 28 CO -0.00 -1.05 0.45 -0.48 0.00 0.00 0.00 175.76 174.68 7i1b s LEU 29 N 1.52 0.90 0.21 0.00 0.05 -0.97 -4.17 118.68 116.21 7i1b s LEU 29 Ca 0.02 -1.37 -0.30 0.00 0.05 0.00 0.00 54.13 52.52 7i1b s LEU 29 Cb -0.18 1.43 -0.10 0.00 -2.05 0.00 0.00 46.19 45.30 7i1b s LEU 29 CO 0.04 -1.23 1.43 -1.00 -0.55 0.00 0.00 176.35 175.04 7i1b s HIS 30 N -3.33 3.09 -0.15 3.48 3.76 -1.26 -2.15 115.29 118.74 7i1b s HIS 30 Ca 0.30 1.00 -0.04 0.00 -0.15 0.00 0.00 55.06 56.16 7i1b s HIS 30 Cb 0.00 -3.78 0.07 0.00 1.11 0.00 0.00 32.58 29.98 7i1b s HIS 30 CO 0.17 -2.60 0.15 -1.17 -0.85 0.00 0.00 174.74 170.45 7i1b s LEU 31 N 0.04 0.05 0.02 0.89 2.96 -1.26 -4.91 118.68 116.46 7i1b s LEU 31 Ca 0.61 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 54.22 7i1b s LEU 31 Cb -0.41 0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.43 7i1b s LEU 31 CO 0.39 -0.30 0.30 -1.58 -1.32 0.00 0.00 176.35 173.84 7i1b s GLN 32 N 2.25 0.74 1.10 1.98 0.74 -1.26 -4.87 119.66 120.34 7i1b s GLN 32 Ca 0.04 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.06 7i1b s GLN 32 Cb -0.14 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.29 7i1b s GLN 32 CO -0.09 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.84 7i1b n GLY 33 N 0.87 -1.87 0.46 2.59 0.00 -1.26 -3.88 105.19 102.10 7i1b n GLY 33 Ca -0.20 -1.51 0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.05 0.40 115.11 115.06 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 0.01 -3.47 0.00 0.00 0.00 178.83 175.37 7i1b n ASP 35 N -4.09 0.00 0.00 -0.69 -0.08 -1.25 -1.43 116.55 109.00 7i1b n ASP 35 Ca 0.17 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.69 7i1b n ASP 35 Cb 0.95 -0.16 0.46 0.00 2.34 0.00 0.00 41.12 44.70 7i1b n ASP 35 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 7i1b n MET 36 N -1.15 0.84 0.15 -0.67 2.81 0.14 -3.02 117.12 116.21 7i1b n MET 36 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 7i1b n MET 36 Cb 0.01 -1.29 0.06 0.00 -0.71 0.00 0.00 33.22 31.28 7i1b n MET 36 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 7i1b h GLU 37 N 0.00 0.00 -0.95 0.03 -0.00 -1.48 -3.18 114.58 108.99 7i1b h GLU 37 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.15 7i1b h GLU 37 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 28.63 7i1b h GLU 37 CO 0.00 0.43 0.26 0.00 -0.00 0.00 0.00 179.01 179.70 7i1b n GLN 38 N -3.22 1.94 -3.17 1.06 10.64 -1.17 -4.88 117.38 118.59 7i1b n GLN 38 Ca 0.02 -1.55 -0.39 0.00 -1.83 0.00 0.00 57.00 53.25 7i1b n GLN 38 Cb 0.70 -1.67 -0.05 0.00 -0.86 0.00 0.00 30.24 28.36 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 -1.73 4.36 0.72 2.61 -2.07 -1.20 -4.47 119.66 117.87 7i1b s GLN 39 Ca 0.29 0.75 -0.10 0.00 -1.82 0.00 0.00 55.36 54.48 7i1b s GLN 39 Cb 0.24 -3.38 0.04 0.00 -1.09 0.00 0.00 33.01 28.82 7i1b s GLN 39 CO 0.06 0.27 1.08 0.08 -1.32 0.00 0.00 175.29 175.46 7i1b s VAL 40 N 0.14 2.77 -0.05 3.63 1.01 -1.08 -5.00 120.40 121.82 7i1b s VAL 40 Ca 0.32 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 7i1b s VAL 40 Cb -0.18 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.02 7i1b s VAL 40 CO 0.17 -0.27 0.09 -0.69 0.00 0.00 0.00 175.10 174.40 7i1b s VAL 41 N -3.36 -0.13 0.27 2.92 1.01 -1.26 -4.77 120.40 115.08 7i1b s VAL 41 Ca 0.59 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.92 7i1b s VAL 41 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 7i1b s VAL 41 CO 0.48 0.14 0.44 -0.36 0.00 0.00 0.00 175.10 175.80 7i1b s PHE 42 N 1.85 3.48 -0.41 5.22 0.40 -0.73 -2.76 117.98 125.03 7i1b s PHE 42 Ca -0.00 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.52 7i1b s PHE 42 Cb -0.12 -1.77 0.11 0.00 0.51 0.00 0.00 43.02 41.75 7i1b s PHE 42 CO -0.04 0.31 0.20 0.45 0.70 0.00 0.00 175.22 176.84 7i1b s SER 43 N -3.76 5.25 0.44 1.36 0.15 0.27 -1.28 113.70 116.14 7i1b s SER 43 Ca 0.37 -2.02 -0.24 0.00 0.70 0.00 0.00 55.95 54.76 7i1b s SER 43 Cb -0.10 -1.83 -0.08 0.00 -1.71 0.00 0.00 66.02 62.31 7i1b s SER 43 CO 0.32 -0.54 1.26 -0.32 1.20 0.00 0.00 173.24 175.15 7i1b s MET 44 N 1.14 3.77 -0.06 5.44 1.75 0.13 -2.58 119.30 128.89 7i1b s MET 44 Ca 0.08 2.02 -0.02 0.00 -1.25 0.00 0.00 55.69 56.52 7i1b s MET 44 Cb -0.23 -2.56 0.03 0.00 2.84 0.00 0.00 34.83 34.92 7i1b s MET 44 CO -0.04 -0.61 0.05 -1.12 -0.65 0.00 0.00 175.02 172.65 7i1b s SER 45 N -1.01 1.40 -0.39 1.11 0.01 -0.20 0.10 113.70 114.72 7i1b s SER 45 Ca 0.61 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.54 7i1b s SER 45 Cb -0.35 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.65 7i1b s SER 45 CO 0.43 -0.24 1.29 -0.36 0.41 0.00 0.00 173.24 174.77 7i1b s PHE 46 N 2.11 2.63 0.56 2.43 0.08 -1.11 -1.05 117.98 123.63 7i1b s PHE 46 Ca 0.05 0.77 0.04 0.00 0.12 0.00 0.00 56.93 57.91 7i1b s PHE 46 Cb -0.13 -4.19 0.04 0.00 -0.57 0.00 0.00 43.02 38.18 7i1b s PHE 46 CO -0.04 -1.64 0.33 0.14 -0.10 0.00 0.00 175.22 173.90 7i1b s VAL 47 N 4.77 1.40 0.26 -0.44 -7.23 -1.08 -4.43 120.40 113.66 7i1b s VAL 47 Ca 0.55 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 7i1b s VAL 47 Cb -0.13 -2.00 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 7i1b s VAL 47 CO 0.29 0.00 0.61 -1.58 -0.31 0.00 0.00 175.10 174.10 7i1b s GLN 48 N -4.23 3.85 0.00 4.82 0.74 0.26 -4.75 119.66 120.35 7i1b s GLN 48 Ca 0.25 0.38 0.00 0.00 0.05 0.00 0.00 55.36 56.04 7i1b s GLN 48 Cb -0.02 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.51 7i1b s GLN 48 CO 0.16 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 7i1b n GLY 49 N -0.27 -0.95 3.55 2.59 0.00 -1.26 -4.65 105.19 104.20 7i1b n GLY 49 Ca 0.01 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 0.10 -2.24 1.61 -0.58 -1.26 -4.84 120.64 113.43 7i1b n GLU 50 Ca 0.00 -1.58 -0.43 0.00 -0.42 0.00 0.00 57.16 54.73 7i1b n GLU 50 Cb 0.00 -3.78 -0.02 0.00 -0.57 0.00 0.00 31.44 27.06 7i1b n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 7i1b s GLU 51 N 8.39 3.45 0.00 3.49 2.12 -1.26 -4.71 118.70 130.17 7i1b s GLU 51 Ca 0.78 1.02 0.00 0.00 0.36 0.00 0.00 54.97 57.13 7i1b s GLU 51 Cb -0.05 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.24 7i1b s GLU 51 CO 0.18 -1.73 0.00 0.45 -0.54 0.00 0.00 175.26 173.62 7i1b n SER 52 N 9.45 0.27 -0.01 -1.70 2.88 -1.15 -5.05 113.62 118.31 7i1b n SER 52 Ca 0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 7i1b n SER 52 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.80 7i1b n SER 52 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 7i1b n ASN 53 N 0.00 1.20 0.00 -3.46 5.15 -1.26 -4.65 115.26 112.24 7i1b n ASN 53 Ca 0.00 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 7i1b n ASN 53 Cb 0.00 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 7i1b n ASP 54 N -3.16 4.01 -4.56 1.20 8.00 -1.26 -4.95 116.55 115.84 7i1b n ASP 54 Ca -0.21 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.90 7i1b n ASP 54 Cb 1.05 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.15 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 55 N -1.99 2.71 -0.43 -1.24 1.02 -1.26 -4.32 119.74 114.22 7i1b s LYS 55 Ca 0.00 0.72 -0.07 0.00 0.02 0.00 0.00 55.97 56.65 7i1b s LYS 55 Cb 0.00 -4.37 0.10 0.00 -0.52 0.00 0.00 37.83 33.05 7i1b s LYS 55 CO 0.00 -2.63 0.26 0.42 -0.92 0.00 0.00 175.35 172.48 7i1b s ILE 56 N 8.86 3.84 -0.03 2.17 1.01 -1.08 -2.92 121.20 133.05 7i1b s ILE 56 Ca 0.69 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 7i1b s ILE 56 Cb -0.14 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 7i1b s ILE 56 CO 0.22 -0.66 1.86 -2.84 0.00 0.00 0.00 174.94 173.53 7i1b s PRO 57 N 1.29 4.05 0.00 2.79 0.02 -1.26 -2.28 135.00 139.61 7i1b s PRO 57 Ca 0.05 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.44 7i1b s PRO 57 Cb -0.24 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.16 7i1b s PRO 57 CO -0.01 -1.04 0.00 1.33 -0.33 0.00 0.00 177.00 176.95 7i1b n VAL 58 N 5.77 0.00 -3.79 3.83 0.24 -0.92 -2.63 118.33 120.84 7i1b n VAL 58 Ca 0.20 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.37 7i1b n VAL 58 Cb 0.42 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.41 -0.34 2.33 0.00 -0.22 -2.30 121.76 118.82 7i1b s ALA 59 Ca 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 7i1b s ALA 59 Cb 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.79 7i1b s ALA 59 CO 0.00 -0.12 0.11 -0.51 0.00 0.00 0.00 175.76 175.24 7i1b s LEU 60 N 0.50 4.37 -0.08 0.00 1.43 -1.26 -1.03 118.68 122.62 7i1b s LEU 60 Ca -0.03 -1.23 0.03 0.00 -1.03 0.00 0.00 54.13 51.87 7i1b s LEU 60 Cb -0.05 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.32 7i1b s LEU 60 CO -0.02 -0.34 -0.18 -0.83 0.23 0.00 0.00 176.35 175.20 7i1b s GLY 61 N 1.46 1.06 -0.26 -3.19 0.00 -1.06 -2.47 107.32 102.85 7i1b s GLY 61 Ca -0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 7i1b s GLY 61 CO 0.02 -0.14 2.22 1.04 0.00 0.00 0.00 173.10 176.24 7i1b n LEU 62 N 3.60 2.90 -0.46 0.66 4.77 -1.02 0.94 117.00 128.39 7i1b n LEU 62 Ca -0.21 0.25 0.39 0.00 -0.03 0.00 0.00 56.01 56.41 7i1b n LEU 62 Cb 0.52 -1.47 0.70 0.00 -2.33 0.00 0.00 43.42 40.85 7i1b n LEU 62 CO 0.27 -0.72 1.32 0.50 -1.33 0.00 0.00 177.39 177.43 7i1b h LYS 63 N 14.37 0.08 0.22 3.23 3.64 -1.79 -0.79 116.57 135.53 7i1b h LYS 63 Ca -0.37 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 7i1b h LYS 63 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 7i1b h LYS 63 CO 0.98 0.05 -0.11 0.93 -2.27 0.00 0.00 179.45 179.04 7i1b h GLU 64 N 0.08 -0.29 -6.24 1.90 5.08 -1.86 -3.47 114.58 109.79 7i1b h GLU 64 Ca 0.75 0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 58.55 7i1b h GLU 64 Cb 2.65 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 31.86 7i1b h GLU 64 CO -0.19 0.08 -0.69 0.15 -1.00 0.00 0.00 179.01 177.37 7i1b s LYS 65 N -3.45 2.10 -0.00 2.33 -0.14 -0.30 -5.00 119.74 115.26 7i1b s LYS 65 Ca -0.12 -1.49 -0.02 0.00 -1.36 0.00 0.00 55.97 52.98 7i1b s LYS 65 Cb 0.01 -2.06 -0.10 0.00 -1.68 0.00 0.00 37.83 34.00 7i1b s LYS 65 CO 0.42 0.37 2.61 0.27 -0.76 0.00 0.00 175.35 178.26 7i1b n ASN 66 N -0.68 5.32 -4.49 2.83 0.23 -1.26 -3.66 115.26 113.55 7i1b n ASN 66 Ca -0.07 -2.44 -0.43 0.00 -0.53 0.00 0.00 54.58 51.11 7i1b n ASN 66 Cb 0.59 -1.24 -0.08 0.00 -2.08 0.00 0.00 39.78 36.96 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 -0.02 4.79 -0.24 -4.53 1.43 -1.26 -2.68 118.68 116.17 7i1b s LEU 67 Ca 0.25 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 7i1b s LEU 67 Cb 0.12 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 7i1b s LEU 67 CO -0.00 -0.59 0.18 -0.31 0.23 0.00 0.00 176.35 175.86 7i1b s TYR 68 N 2.21 3.31 0.67 0.29 1.51 -0.83 -2.42 117.35 122.09 7i1b s TYR 68 Ca 0.13 0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 56.26 7i1b s TYR 68 Cb -0.17 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.34 7i1b s TYR 68 CO 0.14 0.04 0.62 1.28 -1.11 0.00 0.00 175.55 176.53 7i1b n LEU 69 N 4.36 1.43 -3.71 -1.29 4.77 -1.03 -2.39 117.00 119.13 7i1b n LEU 69 Ca -0.15 0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 7i1b n LEU 69 Cb 0.52 -1.24 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 7i1b n LEU 69 CO 0.35 -2.84 0.11 -0.94 -1.33 0.00 0.00 177.39 172.74 7i1b s SER 70 N -1.38 -0.36 -0.33 -1.43 1.04 0.25 -4.46 113.70 107.03 7i1b s SER 70 Ca 0.68 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 57.49 7i1b s SER 70 Cb -0.38 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 7i1b s SER 70 CO 0.55 -0.34 0.28 0.00 0.98 0.00 0.00 173.24 174.71 7i1b s VAL 72 N 1.83 1.36 0.01 0.00 -7.23 -0.97 -4.79 120.40 110.60 7i1b s VAL 72 Ca 0.08 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.10 7i1b s VAL 72 Cb -0.17 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 7i1b s VAL 72 CO 0.11 -0.54 0.75 -0.76 -0.31 0.00 0.00 175.10 174.34 7i1b s LEU 73 N -2.82 4.41 -0.80 1.32 1.43 -1.26 -1.30 118.68 119.66 7i1b s LEU 73 Ca 0.14 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 7i1b s LEU 73 Cb -0.02 -3.19 0.19 0.00 0.03 0.00 0.00 46.19 43.21 7i1b s LEU 73 CO 0.03 -0.03 0.64 -0.54 0.23 0.00 0.00 176.35 176.68 7i1b s LYS 74 N 0.22 2.86 0.00 1.70 -0.14 0.10 -4.65 119.74 119.83 7i1b s LYS 74 Ca 0.38 -3.34 0.00 0.00 -1.36 0.00 0.00 55.97 51.66 7i1b s LYS 74 Cb -0.20 -3.68 0.00 0.00 -1.68 0.00 0.00 37.83 32.27 7i1b s LYS 74 CO 0.22 -1.28 0.00 -0.25 -0.76 0.00 0.00 175.35 173.28 7i1b n ASP 75 N 2.11 -1.95 -0.18 2.83 8.00 -1.26 -3.42 116.55 122.68 7i1b n ASP 75 Ca 0.21 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.68 7i1b n ASP 75 Cb 0.36 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.71 -4.98 -4.13 -2.24 8.00 -1.26 -4.97 116.55 106.26 7i1b n ASP 76 Ca 0.00 0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 7i1b n ASP 76 Cb 0.49 -2.69 -0.15 0.00 -0.02 0.00 0.00 41.12 38.75 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 -1.67 2.69 0.46 -1.24 2.20 -1.22 -5.07 119.74 115.89 7i1b s LYS 77 Ca 0.00 -1.05 -0.23 0.00 -0.36 0.00 0.00 55.97 54.33 7i1b s LYS 77 Cb 0.00 -2.81 -0.09 0.00 -1.51 0.00 0.00 37.83 33.42 7i1b s LYS 77 CO 0.00 -0.39 1.05 -2.30 -0.36 0.00 0.00 175.35 173.35 7i1b n PRO 78 N 4.57 1.36 -3.91 4.03 -0.02 -1.26 0.03 135.00 139.80 7i1b n PRO 78 Ca -0.17 0.49 -0.08 0.00 -2.02 0.00 0.00 63.50 61.72 7i1b n PRO 78 Cb 0.46 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.32 0.00 -0.11 3.45 2.01 -0.42 -4.75 115.64 114.50 7i1b s THR 79 Ca 0.66 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 7i1b s THR 79 Cb -0.51 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 7i1b s THR 79 CO 0.55 -0.02 0.04 -0.22 -0.69 0.00 0.00 174.62 174.27 7i1b s LEU 80 N -2.96 3.76 0.07 4.42 2.96 -1.26 -2.30 118.68 123.37 7i1b s LEU 80 Ca 0.16 0.19 -0.21 0.00 -0.22 0.00 0.00 54.13 54.05 7i1b s LEU 80 Cb -0.03 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.82 7i1b s LEU 80 CO 0.06 0.34 0.49 -1.58 -1.32 0.00 0.00 176.35 174.35 7i1b s GLN 81 N -0.66 1.05 -0.00 1.98 0.74 -0.22 -4.83 119.66 117.72 7i1b s GLN 81 Ca 0.11 -0.35 -0.10 0.00 0.05 0.00 0.00 55.36 55.07 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 0.02 -0.39 0.32 -0.51 -0.55 0.00 0.00 175.29 174.18 7i1b s LEU 82 N -2.19 4.40 -0.06 3.68 1.43 -1.26 0.85 118.68 125.53 7i1b s LEU 82 Ca -0.03 0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 7i1b s LEU 82 Cb -0.00 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.65 7i1b s LEU 82 CO -0.05 0.29 0.13 -0.70 0.23 0.00 0.00 176.35 176.25 7i1b s GLU 83 N -1.44 0.06 0.06 1.70 2.12 -1.01 -4.90 118.70 115.29 7i1b s GLU 83 Ca 0.25 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.64 7i1b s GLU 83 Cb -0.14 -0.21 -0.06 0.00 0.26 0.00 0.00 34.13 33.98 7i1b s GLU 83 CO 0.13 -0.18 1.30 -1.54 -0.54 0.00 0.00 175.26 174.43 7i1b s SER 84 N 1.30 6.95 0.02 -1.70 1.04 -1.26 -1.96 113.70 118.08 7i1b s SER 84 Ca -0.08 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.48 7i1b s SER 84 Cb -0.12 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.42 7i1b s SER 84 CO -0.05 -0.59 0.00 1.33 0.98 0.00 0.00 173.24 174.91 7i1b n VAL 85 N 4.12 0.00 -3.09 5.02 0.24 -1.09 -4.95 118.33 118.57 7i1b n VAL 85 Ca 0.11 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.99 7i1b n VAL 85 Cb 0.44 -1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 31.70 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 6.42 0.00 -1.34 2.15 -1.26 -4.91 116.67 116.73 7i1b s ASP 86 Ca 0.00 0.06 0.06 0.00 0.43 0.00 0.00 52.55 53.11 7i1b s ASP 86 Cb 0.00 -2.33 0.30 0.00 -0.30 0.00 0.00 42.92 40.59 7i1b s ASP 86 CO 0.00 -0.66 1.06 -0.81 -0.17 0.00 0.00 175.17 174.60 7i1b n PRO 87 N 6.15 0.08 -0.08 4.34 -0.05 -1.26 -1.46 135.00 142.72 7i1b n PRO 87 Ca -0.01 0.25 -0.21 0.00 -0.05 0.00 0.00 63.50 63.48 7i1b n PRO 87 Cb 0.48 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.31 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 7i1b n LYS 88 N -1.31 0.67 0.08 0.54 5.02 -1.26 -4.53 118.16 117.36 7i1b n LYS 88 Ca 0.03 0.24 -0.19 0.00 -2.02 0.00 0.00 58.31 56.37 7i1b n LYS 88 Cb 0.05 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.31 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 -0.21 0.48 -3.12 4.39 -0.26 -1.91 -3.46 115.58 111.50 7i1b h ASN 89 Ca -0.52 -0.66 -0.58 0.00 -0.56 0.00 0.00 56.30 53.98 7i1b h ASN 89 Cb 1.85 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 38.92 7i1b h ASN 89 CO -0.09 1.54 -0.33 -0.31 -1.06 0.00 0.00 177.43 177.18 7i1b s TYR 90 N -2.61 3.48 0.27 1.19 2.02 -0.53 -3.63 117.35 117.53 7i1b s TYR 90 Ca -0.10 0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 56.81 7i1b s TYR 90 Cb 0.06 -1.97 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 7i1b s TYR 90 CO 0.86 0.45 1.09 -1.25 -1.57 0.00 0.00 175.55 175.13 7i1b s PRO 91 N -2.69 4.66 0.18 -1.71 0.04 -1.26 -4.62 135.00 129.60 7i1b s PRO 91 Ca 0.40 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.28 7i1b s PRO 91 Cb -0.12 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 7i1b s PRO 91 CO 0.25 0.23 -0.13 0.21 0.04 0.00 0.00 177.00 177.59 7i1b s LYS 92 N -1.31 1.22 0.54 4.56 2.20 -1.24 -4.56 119.74 121.15 7i1b s LYS 92 Ca 0.45 -1.50 0.28 0.00 -0.36 0.00 0.00 55.97 54.83 7i1b s LYS 92 Cb -0.31 -0.97 1.54 0.00 -1.51 0.00 0.00 37.83 36.57 7i1b s LYS 92 CO 0.40 0.16 2.12 1.57 -0.36 0.00 0.00 175.35 179.23 7i1b h LYS 93 N 2.76 0.00 -6.32 4.03 2.10 -1.92 -3.42 116.57 113.80 7i1b h LYS 93 Ca -0.38 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.61 7i1b h LYS 93 Cb 1.21 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.41 7i1b h LYS 93 CO 0.60 0.09 -0.66 0.21 -2.00 0.00 0.00 179.45 177.69 7i1b s LYS 94 N -4.32 2.57 -0.05 0.07 2.47 -1.26 -0.57 119.74 118.65 7i1b s LYS 94 Ca -0.03 -0.80 -0.06 0.00 -1.56 0.00 0.00 55.97 53.51 7i1b s LYS 94 Cb 0.14 -2.55 0.01 0.00 -1.46 0.00 0.00 37.83 33.97 7i1b s LYS 94 CO 0.58 0.56 0.16 -1.64 0.16 0.00 0.00 175.35 175.16 7i1b s MET 95 N -2.14 0.26 0.89 4.03 -1.94 -1.26 -4.97 119.30 114.16 7i1b s MET 95 Ca 0.24 0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.21 7i1b s MET 95 Cb -0.12 0.12 0.12 0.00 2.01 0.00 0.00 34.83 36.97 7i1b s MET 95 CO 0.16 -0.04 1.09 -1.21 -0.01 0.00 0.00 175.02 175.01 7i1b s GLU 96 N -0.23 1.31 0.32 2.03 8.01 -1.26 -4.69 118.70 124.19 7i1b s GLU 96 Ca -0.03 1.03 0.04 0.00 0.01 0.00 0.00 54.97 56.01 7i1b s GLU 96 Cb -0.03 -1.80 0.65 0.00 -4.31 0.00 0.00 34.13 28.64 7i1b s GLU 96 CO 0.01 -2.26 1.90 0.87 0.01 0.00 0.00 175.26 175.78 7i1b h LYS 97 N -1.58 0.86 -0.95 1.61 1.79 -1.92 -0.50 116.57 115.89 7i1b h LYS 97 Ca -0.48 -0.05 0.14 0.00 -2.18 0.00 0.00 60.65 58.08 7i1b h LYS 97 Cb 1.27 -0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 31.65 7i1b h LYS 97 CO 0.51 0.57 0.60 0.07 -1.08 0.00 0.00 179.45 180.12 7i1b h ARG 98 N 0.89 0.78 -0.00 3.15 -0.00 -1.90 -1.39 114.38 115.90 7i1b h ARG 98 Ca 0.40 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 60.34 7i1b h ARG 98 Cb 0.38 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 7i1b h ARG 98 CO -0.17 0.51 -0.81 1.19 -0.00 0.00 0.00 179.97 180.69 7i1b n PHE 99 N -4.61 0.00 -3.00 4.08 3.72 -0.50 -2.84 117.46 114.32 7i1b n PHE 99 Ca 0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.18 7i1b n PHE 99 Cb 0.45 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.95 4.94 -0.17 -4.37 1.01 -0.31 -4.41 120.40 114.14 7i1b s VAL 100 Ca 0.10 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.50 7i1b s VAL 100 Cb 0.17 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.52 7i1b s VAL 100 CO 0.80 0.06 -0.19 -0.36 0.00 0.00 0.00 175.10 175.40 7i1b s PHE 101 N 2.11 2.76 -0.53 5.22 0.40 -0.97 -2.20 117.98 124.76 7i1b s PHE 101 Ca 0.33 -1.45 -0.28 0.00 -0.60 0.00 0.00 56.93 54.93 7i1b s PHE 101 Cb -0.16 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.48 7i1b s PHE 101 CO 0.11 -0.70 1.46 -0.80 0.70 0.00 0.00 175.22 175.99 7i1b s ASN 102 N 1.12 6.09 -0.67 1.36 0.01 -0.78 -2.16 114.94 119.91 7i1b s ASN 102 Ca 0.01 0.42 -0.27 0.00 -0.71 0.00 0.00 52.86 52.30 7i1b s ASN 102 Cb -0.14 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.00 7i1b s ASN 102 CO -0.08 -1.72 1.31 -0.75 -1.51 0.00 0.00 177.10 174.36 7i1b s LYS 103 N 5.54 3.25 0.19 -0.60 2.20 -0.96 -2.43 119.74 126.93 7i1b s LYS 103 Ca 0.56 0.04 0.07 0.00 -0.36 0.00 0.00 55.97 56.28 7i1b s LYS 103 Cb -0.12 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.02 7i1b s LYS 103 CO 0.26 -2.04 0.07 0.42 -0.36 0.00 0.00 175.35 173.70 7i1b s ILE 104 N 5.80 4.02 -0.13 5.43 1.01 0.14 -2.62 121.20 134.84 7i1b s ILE 104 Ca 0.42 -1.37 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 7i1b s ILE 104 Cb -0.09 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 7i1b s ILE 104 CO 0.19 -0.17 -0.13 -1.61 0.00 0.00 0.00 174.94 173.23 7i1b s GLU 105 N -3.19 3.40 -0.20 2.79 2.02 -1.26 -0.50 118.70 121.76 7i1b s GLU 105 Ca 0.30 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.57 7i1b s GLU 105 Cb -0.09 -2.65 0.08 0.00 0.10 0.00 0.00 34.13 31.57 7i1b s GLU 105 CO 0.21 0.21 0.14 0.42 0.02 0.00 0.00 175.26 176.26 7i1b s ILE 106 N 0.37 -0.17 -0.92 -1.63 1.09 0.63 -4.88 121.20 115.68 7i1b s ILE 106 Ca -0.10 -0.23 -0.03 0.00 -1.10 0.00 0.00 60.65 59.19 7i1b s ILE 106 Cb -0.16 -0.67 -0.03 0.00 -1.06 0.00 0.00 42.46 40.54 7i1b s ILE 106 CO 0.05 -0.32 0.79 -3.20 -0.10 0.00 0.00 174.94 172.16 7i1b n ASN 107 N 5.29 -4.20 -1.02 3.58 2.85 -1.26 -1.95 115.26 118.55 7i1b n ASN 107 Ca -0.06 -0.55 -0.10 0.00 -0.11 0.00 0.00 54.58 53.76 7i1b n ASN 107 Cb 0.48 -4.35 -0.04 0.00 1.24 0.00 0.00 39.78 37.11 7i1b n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 7i1b n ASN 108 N -2.85 -3.60 -4.52 1.20 0.23 -1.26 -4.91 115.26 99.55 7i1b n ASN 108 Ca -0.14 0.24 -0.26 0.00 -0.53 0.00 0.00 54.58 53.89 7i1b n ASN 108 Cb 0.62 -3.06 -0.10 0.00 -2.08 0.00 0.00 39.78 35.16 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 7i1b s LYS 109 N -2.64 1.86 0.06 -3.83 3.01 -0.82 -5.03 119.74 112.35 7i1b s LYS 109 Ca 0.00 -1.41 -0.01 0.00 -1.01 0.00 0.00 55.97 53.55 7i1b s LYS 109 Cb 0.00 -2.02 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 7i1b s LYS 109 CO 0.00 0.41 0.22 -0.51 0.51 0.00 0.00 175.35 175.98 7i1b s LEU 110 N -2.89 4.35 -0.07 3.17 1.43 -0.52 -0.27 118.68 123.88 7i1b s LEU 110 Ca 0.24 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 7i1b s LEU 110 Cb -0.08 -2.97 0.04 0.00 0.03 0.00 0.00 46.19 43.21 7i1b s LEU 110 CO 0.14 0.17 0.14 -0.70 0.23 0.00 0.00 176.35 176.32 7i1b s GLU 111 N -2.48 0.04 -0.35 1.70 2.12 0.34 -0.24 118.70 119.84 7i1b s GLU 111 Ca 0.35 0.47 -0.10 0.00 0.36 0.00 0.00 54.97 56.05 7i1b s GLU 111 Cb -0.13 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.02 7i1b s GLU 111 CO 0.27 -0.26 0.17 -0.06 -0.54 0.00 0.00 175.26 174.84 7i1b s PHE 112 N 1.88 3.22 -0.09 5.30 0.08 -1.26 -0.69 117.98 126.42 7i1b s PHE 112 Ca -0.01 -0.89 -0.11 0.00 0.12 0.00 0.00 56.93 56.04 7i1b s PHE 112 Cb -0.12 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 7i1b s PHE 112 CO -0.05 -0.59 0.27 -2.00 -0.10 0.00 0.00 175.22 172.74 7i1b s GLU 113 N 1.55 3.81 -0.42 0.44 2.12 -1.02 -2.24 118.70 122.94 7i1b s GLU 113 Ca 0.02 0.10 -0.28 0.00 0.36 0.00 0.00 54.97 55.18 7i1b s GLU 113 Cb -0.18 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 7i1b s GLU 113 CO 0.06 0.62 1.81 0.45 -0.54 0.00 0.00 175.26 177.65 7i1b s SER 114 N -0.68 5.70 0.61 -1.70 0.15 -0.26 -1.87 113.70 115.66 7i1b s SER 114 Ca 0.18 0.99 0.19 0.00 0.70 0.00 0.00 55.95 58.01 7i1b s SER 114 Cb -0.14 -2.53 1.03 0.00 -1.71 0.00 0.00 66.02 62.68 7i1b s SER 114 CO 0.07 -1.91 1.56 0.00 1.20 0.00 0.00 173.24 174.16 7i1b h ALA 115 N 13.51 1.50 0.00 5.45 0.00 -1.60 -0.07 119.26 138.05 7i1b h ALA 115 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 7i1b h ALA 115 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 7i1b h ALA 115 CO 1.09 -0.50 -0.10 0.37 0.00 0.00 0.00 179.25 180.11 7i1b h GLN 116 N 0.00 0.00 -3.82 0.00 4.15 -1.81 -3.42 115.11 110.20 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 7i1b h GLN 116 Cb 1.05 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.38 7i1b h GLN 116 CO 0.00 0.49 -0.42 -0.06 -1.93 0.00 0.00 178.83 176.91 7i1b s PHE 117 N -1.93 3.45 0.76 3.99 0.08 -0.05 -5.09 117.98 119.19 7i1b s PHE 117 Ca -0.11 -2.65 -0.15 0.00 0.12 0.00 0.00 56.93 54.14 7i1b s PHE 117 Cb -0.01 -3.20 0.05 0.00 -0.57 0.00 0.00 43.02 39.30 7i1b s PHE 117 CO 0.35 -0.87 1.21 -2.30 -0.10 0.00 0.00 175.22 173.51 7i1b n PRO 118 N 3.76 0.48 0.00 0.24 -0.02 -1.20 -2.30 135.00 135.96 7i1b n PRO 118 Ca 0.05 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 7i1b n PRO 118 Cb 0.39 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 -2.76 0.00 -4.35 2.55 3.02 -1.26 -4.99 115.26 107.47 7i1b n ASN 119 Ca 0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 7i1b n ASN 119 Cb 0.50 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.60 3.03 0.51 3.10 0.52 -0.97 -4.60 118.94 117.92 7i1b s TRP 120 Ca 0.00 -0.81 0.02 0.00 0.02 0.00 0.00 56.10 55.33 7i1b s TRP 120 Cb 0.00 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.14 7i1b s TRP 120 CO 0.00 -0.50 0.05 0.71 0.02 0.00 0.00 176.95 177.23 7i1b s TYR 121 N 1.52 1.90 -0.09 -1.98 1.51 -0.82 -1.10 117.35 118.29 7i1b s TYR 121 Ca 0.05 -0.92 -0.27 0.00 -1.01 0.00 0.00 57.07 54.93 7i1b s TYR 121 Cb -0.15 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 7i1b s TYR 121 CO -0.00 0.17 0.87 0.42 -1.11 0.00 0.00 175.55 175.90 7i1b s ILE 122 N -2.85 4.90 0.18 2.71 1.01 -0.95 -1.65 121.20 124.55 7i1b s ILE 122 Ca 0.11 1.77 0.01 0.00 0.00 0.00 0.00 60.65 62.54 7i1b s ILE 122 Cb 0.02 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 7i1b s ILE 122 CO 0.06 0.10 0.03 -0.44 0.00 0.00 0.00 174.94 174.69 7i1b s SER 123 N 1.03 1.06 0.17 3.58 0.01 -0.54 -4.50 113.70 114.50 7i1b s SER 123 Ca 0.43 -1.21 0.06 0.00 1.31 0.00 0.00 55.95 56.54 7i1b s SER 123 Cb -0.18 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 7i1b s SER 123 CO 0.18 -0.62 -0.12 0.42 0.41 0.00 0.00 173.24 173.51 7i1b s THR 124 N -3.74 1.41 -0.22 1.44 -4.23 -0.67 -2.68 115.64 106.95 7i1b s THR 124 Ca 0.26 -2.12 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 7i1b s THR 124 Cb 0.07 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 7i1b s THR 124 CO 0.05 -0.68 0.17 -0.55 -0.54 0.00 0.00 174.62 173.07 7i1b s SER 125 N -3.22 6.17 0.57 3.99 0.15 -1.26 -2.76 113.70 117.34 7i1b s SER 125 Ca 0.19 0.18 0.36 0.00 0.70 0.00 0.00 55.95 57.39 7i1b s SER 125 Cb 0.01 -2.11 1.47 0.00 -1.71 0.00 0.00 66.02 63.68 7i1b s SER 125 CO 0.03 0.09 1.70 -0.61 1.20 0.00 0.00 173.24 175.65 7i1b h GLN 126 N 7.22 0.00 -6.60 5.44 5.75 -1.98 -3.41 115.11 121.54 7i1b h GLN 126 Ca -0.39 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.55 7i1b h GLN 126 Cb 1.16 0.00 0.20 0.00 1.07 0.00 0.00 27.48 29.91 7i1b h GLN 126 CO 0.69 0.00 -0.57 0.00 -2.65 0.00 0.00 178.83 176.30 7i1b n ALA 127 N -2.63 -2.07 -2.38 3.38 0.00 -1.26 -4.95 120.51 110.60 7i1b n ALA 127 Ca 0.25 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 7i1b n ALA 127 Cb 1.33 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 3.85 -1.33 0.00 0.41 -1.26 -4.25 118.70 113.34 7i1b s GLU 128 Ca 0.62 0.34 -0.01 0.00 -0.41 0.00 0.00 54.97 55.52 7i1b s GLU 128 Cb -0.32 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 7i1b s GLU 128 CO 0.62 0.33 0.67 0.09 -0.49 0.00 0.00 175.26 176.47 7i1b n ASN 129 N -0.02 -1.16 -4.40 -0.19 3.02 -1.26 -4.98 115.26 106.27 7i1b n ASN 129 Ca -0.00 -0.85 -0.33 0.00 -0.03 0.00 0.00 54.58 53.37 7i1b n ASN 129 Cb 0.52 -3.90 -0.14 0.00 -0.61 0.00 0.00 39.78 35.66 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 7i1b s MET 130 N -6.09 3.09 0.47 3.52 1.75 -1.26 -4.99 119.30 115.79 7i1b s MET 130 Ca 0.03 -0.69 -0.24 0.00 -1.25 0.00 0.00 55.69 53.54 7i1b s MET 130 Cb -0.01 -2.54 -0.07 0.00 2.84 0.00 0.00 34.83 35.04 7i1b s MET 130 CO 0.82 0.35 1.35 -1.25 -0.65 0.00 0.00 175.02 175.64 7i1b s PRO 131 N -0.01 3.59 0.75 4.11 0.04 -1.26 -2.74 135.00 139.49 7i1b s PRO 131 Ca -0.04 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 7i1b s PRO 131 Cb -0.14 -2.53 0.05 0.00 0.04 0.00 0.00 34.50 31.91 7i1b s PRO 131 CO 0.04 -0.83 1.09 0.08 0.04 0.00 0.00 177.00 177.43 7i1b s VAL 132 N -1.28 3.34 0.32 -0.36 1.01 -1.00 -4.76 120.40 117.67 7i1b s VAL 132 Ca 0.63 0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 7i1b s VAL 132 Cb -0.40 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.08 7i1b s VAL 132 CO 0.50 -0.55 0.87 0.72 0.00 0.00 0.00 175.10 176.64 7i1b s PHE 133 N -2.83 0.11 -0.21 5.22 -0.71 -1.09 -4.86 117.98 113.60 7i1b s PHE 133 Ca 0.62 -0.70 -0.09 0.00 -1.04 0.00 0.00 56.93 55.72 7i1b s PHE 133 Cb -0.17 0.80 -0.05 0.00 -1.21 0.00 0.00 43.02 42.39 7i1b s PHE 133 CO 0.54 -1.37 0.12 -1.17 -1.34 0.00 0.00 175.22 172.00 7i1b s LEU 134 N -3.18 4.06 0.16 -1.99 2.96 -1.26 -1.47 118.68 117.95 7i1b s LEU 134 Ca 0.18 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 7i1b s LEU 134 Cb -0.04 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 7i1b s LEU 134 CO 0.09 0.14 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.28 7i1b s GLY 135 N 0.60 1.29 -0.53 7.98 0.00 -0.66 -4.67 107.32 111.32 7i1b s GLY 135 Ca 0.07 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.35 7i1b s GLY 135 CO 0.01 -1.54 1.30 0.61 0.00 0.00 0.00 173.10 173.48 7i1b n GLY 136 N 0.17 5.90 2.52 0.20 0.00 -1.26 -1.93 105.19 110.79 7i1b n GLY 136 Ca -0.12 -2.71 -0.29 0.00 0.00 0.00 0.00 46.02 42.90 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 -5.42 0.28 -0.15 2.61 2.01 -1.26 -5.00 115.64 108.70 7i1b s THR 137 Ca 0.49 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.59 7i1b s THR 137 Cb 0.40 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 7i1b s THR 137 CO -0.24 -0.92 1.84 -0.75 -0.69 0.00 0.00 174.62 173.87 7i1b s LYS 138 N 1.21 3.74 8.00 4.92 2.20 -1.26 -4.59 119.74 133.96 7i1b s LYS 138 Ca 0.16 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 7i1b s LYS 138 Cb -0.22 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 7i1b s LYS 138 CO -0.07 -1.39 0.00 0.41 -0.36 0.00 0.00 175.35 173.94 7i1b n GLY 139 N 4.87 3.06 7.00 5.54 0.00 -1.26 -4.91 105.19 119.49 7i1b n GLY 139 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.34 0.08 -0.02 0.00 -1.26 -2.33 105.19 105.00 7i1b n GLY 140 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 13.26 1.37 -2.75 1.61 0.00 -1.26 -4.96 117.38 124.64 7i1b n GLN 141 Ca 0.00 -0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.60 7i1b n GLN 141 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 30.24 28.77 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 -4.99 7.65 -0.59 1.69 1.01 -0.98 -4.78 116.67 115.67 7i1b s ASP 142 Ca -0.09 1.95 -0.21 0.00 0.71 0.00 0.00 52.55 54.91 7i1b s ASP 142 Cb 0.05 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.44 7i1b s ASP 142 CO 0.64 0.16 0.82 -0.63 0.21 0.00 0.00 175.17 176.37 7i1b s ILE 143 N -1.18 4.58 -0.13 0.77 1.01 -1.11 -4.03 121.20 121.11 7i1b s ILE 143 Ca 0.41 -0.41 0.18 0.00 0.00 0.00 0.00 60.65 60.83 7i1b s ILE 143 Cb -0.26 -4.52 -0.20 0.00 0.01 0.00 0.00 42.46 37.50 7i1b s ILE 143 CO 0.32 -1.16 0.59 0.35 0.00 0.00 0.00 174.94 175.05 7i1b n THR 144 N 5.82 0.97 -1.18 2.92 -2.24 -1.26 -1.67 114.28 117.64 7i1b n THR 144 Ca -0.05 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.76 7i1b n THR 144 Cb 0.45 -0.51 0.17 0.00 -2.10 0.00 0.00 70.33 68.34 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 -5.44 2.79 0.25 3.42 1.47 -1.26 -4.62 116.67 113.27 7i1b s ASP 145 Ca -0.05 1.24 -0.06 0.00 1.18 0.00 0.00 52.55 54.85 7i1b s ASP 145 Cb 0.09 -1.90 0.03 0.00 -0.34 0.00 0.00 42.92 40.79 7i1b s ASP 145 CO 0.83 -3.03 0.44 0.49 0.68 0.00 0.00 175.17 174.58 7i1b n PHE 146 N -4.12 -1.59 -3.60 2.11 3.72 0.67 -4.51 117.46 110.15 7i1b n PHE 146 Ca 0.06 -1.33 -0.12 0.00 -0.05 0.00 0.00 57.45 56.01 7i1b n PHE 146 Cb 0.57 0.51 -0.11 0.00 -0.94 0.00 0.00 39.48 39.51 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 -2.52 -0.51 0.17 4.37 -4.23 0.86 -1.44 115.64 112.34 7i1b s THR 147 Ca 0.14 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 7i1b s THR 147 Cb -0.02 -0.59 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 7i1b s THR 147 CO 0.10 0.04 0.39 -0.32 -0.54 0.00 0.00 174.62 174.29 7i1b s MET 148 N 2.49 3.59 -0.08 3.99 1.75 -1.26 -1.37 119.30 128.42 7i1b s MET 148 Ca 0.03 -0.15 -0.02 0.00 -1.25 0.00 0.00 55.69 54.30 7i1b s MET 148 Cb -0.13 -2.83 0.04 0.00 2.84 0.00 0.00 34.83 34.75 7i1b s MET 148 CO -0.11 0.43 0.05 -0.65 -0.65 0.00 0.00 175.02 174.09 7i1b s GLN 149 N -2.90 0.16 0.29 4.11 -0.21 -1.06 -4.99 119.66 115.07 7i1b s GLN 149 Ca 0.41 0.18 -0.29 0.00 0.02 0.00 0.00 55.36 55.68 7i1b s GLN 149 Cb -0.12 -0.95 -0.10 0.00 1.00 0.00 0.00 33.01 32.85 7i1b s GLN 149 CO 0.26 -0.40 1.17 -0.06 -2.12 0.00 0.00 175.29 174.14 7i1b s PHE 150 N 2.10 3.40 0.00 0.91 0.08 -1.26 -1.92 117.98 121.29 7i1b s PHE 150 Ca 0.04 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.69 7i1b s PHE 150 Cb -0.13 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 7i1b s PHE 150 CO -0.05 -0.99 0.00 1.33 -0.10 0.00 0.00 175.22 175.41 7i1b n VAL 151 N 1.10 0.00 -3.82 -0.44 0.24 -1.21 -4.93 118.33 109.26 7i1b n VAL 151 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 7i1b n VAL 151 Cb 0.44 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 7i1b n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 7i1b s SER 152 N -0.97 0.04 0.00 -1.34 0.01 -1.26 -4.90 113.70 105.27 7i1b s SER 152 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 7i1b s SER 152 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 7i1b s SER 152 CO 0.00 -0.67 0.00 -0.24 0.41 0.00 0.00 173.24 172.74