#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 0.72 -4.04 0.00 -0.04 -1.26 -4.72 135.00 125.66 7i1b n PRO 2 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 7i1b n PRO 2 Cb 0.00 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.39 0.20 -0.40 0.52 -7.23 -1.26 -4.77 120.40 107.84 7i1b s VAL 3 Ca 0.00 -1.67 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 7i1b s VAL 3 Cb 0.00 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.49 7i1b s VAL 3 CO 0.00 -0.91 0.27 -0.13 -0.31 0.00 0.00 175.10 174.02 7i1b s ARG 4 N -3.91 2.86 0.38 4.82 3.00 -1.26 -5.06 118.95 119.78 7i1b s ARG 4 Ca 0.07 -1.14 -0.02 0.00 0.00 0.00 0.00 55.73 54.64 7i1b s ARG 4 Cb 0.07 -3.87 -0.04 0.00 0.00 0.00 0.00 34.95 31.11 7i1b s ARG 4 CO -0.10 -0.79 0.62 -1.12 0.00 0.00 0.00 175.30 173.92 7i1b s SER 5 N 1.79 6.32 -0.22 0.23 0.01 -1.26 -2.79 113.70 117.77 7i1b s SER 5 Ca 0.03 0.65 -0.05 0.00 1.31 0.00 0.00 55.95 57.90 7i1b s SER 5 Cb -0.20 -2.12 0.08 0.00 0.21 0.00 0.00 66.02 63.98 7i1b s SER 5 CO 0.07 -0.36 0.10 -0.76 0.41 0.00 0.00 173.24 172.71 7i1b s LEU 6 N -4.28 0.45 -0.14 2.44 1.02 0.79 -4.93 118.68 114.03 7i1b s LEU 6 Ca 0.43 -0.88 -0.29 0.00 0.02 0.00 0.00 54.13 53.41 7i1b s LEU 6 Cb -0.10 -0.29 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 7i1b s LEU 6 CO 0.37 -0.38 1.31 0.20 0.02 0.00 0.00 176.35 177.87 7i1b s ASN 7 N 2.11 6.92 -0.01 2.29 0.02 -1.26 0.37 114.94 125.37 7i1b s ASN 7 Ca 0.05 1.77 -0.24 0.00 -1.02 0.00 0.00 52.86 53.42 7i1b s ASN 7 Cb -0.16 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.62 7i1b s ASN 7 CO -0.20 -0.77 0.54 0.00 0.02 0.00 0.00 177.10 176.69 7i1b s THR 9 N -1.57 3.02 -0.02 0.00 -4.23 -0.99 -2.20 115.64 109.66 7i1b s THR 9 Ca -0.10 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 7i1b s THR 9 Cb -0.02 -3.06 0.02 0.00 1.34 0.00 0.00 72.50 70.79 7i1b s THR 9 CO 0.05 -0.03 0.01 -0.76 -0.54 0.00 0.00 174.62 173.35 7i1b s LEU 10 N -4.48 1.36 0.11 4.79 1.43 -1.26 -2.49 118.68 118.14 7i1b s LEU 10 Ca 0.55 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 7i1b s LEU 10 Cb -0.10 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 7i1b s LEU 10 CO 0.35 -0.08 -0.17 -0.13 0.23 0.00 0.00 176.35 176.55 7i1b s ARG 11 N 0.76 1.04 0.89 1.70 3.00 0.24 -3.60 118.95 122.98 7i1b s ARG 11 Ca -0.07 -1.15 -0.14 0.00 0.00 0.00 0.00 55.73 54.37 7i1b s ARG 11 Cb -0.10 -1.12 0.15 0.00 0.00 0.00 0.00 34.95 33.89 7i1b s ARG 11 CO -0.02 0.24 1.26 0.16 0.00 0.00 0.00 175.30 176.94 7i1b s ASP 12 N -2.09 3.70 0.28 0.23 -4.77 -1.02 0.00 116.67 113.01 7i1b s ASP 12 Ca 0.06 0.45 0.18 0.00 -3.30 0.00 0.00 52.55 49.93 7i1b s ASP 12 Cb -0.08 -0.68 0.96 0.00 -1.09 0.00 0.00 42.92 42.02 7i1b s ASP 12 CO 0.04 -2.38 1.52 -1.54 0.70 0.00 0.00 175.17 173.51 7i1b n SER 13 N -3.56 0.46 -0.95 2.11 3.41 -1.26 -0.16 113.62 113.67 7i1b n SER 13 Ca 0.12 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 7i1b n SER 13 Cb 0.60 -0.74 0.26 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.12 2.24 -0.94 4.33 -0.06 -1.26 -4.91 117.38 114.66 7i1b n GLN 14 Ca -0.01 -1.88 0.00 0.00 -2.00 0.00 0.00 57.00 53.11 7i1b n GLN 14 Cb 0.07 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 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 1.10 0.00 -0.65 3.69 7.27 0.77 -5.02 117.38 124.54 7i1b n GLN 15 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.96 7i1b n GLN 15 Cb 0.51 -2.52 0.22 0.00 2.41 0.00 0.00 30.24 30.87 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 -0.06 -0.34 0.12 3.69 1.02 -1.26 -4.71 119.74 118.20 7i1b s LYS 16 Ca 0.00 0.96 0.07 0.00 0.02 0.00 0.00 55.97 57.02 7i1b s LYS 16 Cb 0.00 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 7i1b s LYS 16 CO 0.00 -3.37 -0.16 -1.12 -0.92 0.00 0.00 175.35 169.78 7i1b s SER 17 N -2.66 2.18 -0.10 2.83 0.01 -0.83 -2.43 113.70 112.71 7i1b s SER 17 Ca 0.68 -0.79 -0.18 0.00 1.31 0.00 0.00 55.95 56.97 7i1b s SER 17 Cb -0.24 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 7i1b s SER 17 CO 0.62 -0.09 0.47 -0.76 0.41 0.00 0.00 173.24 173.90 7i1b s LEU 18 N -2.37 4.31 -0.03 2.44 1.43 -1.24 -2.41 118.68 120.81 7i1b s LEU 18 Ca 0.09 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.09 7i1b s LEU 18 Cb -0.06 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 7i1b s LEU 18 CO 0.04 0.05 -0.18 0.68 0.23 0.00 0.00 176.35 177.17 7i1b s VAL 19 N 0.35 1.44 -1.02 -1.59 -7.23 0.86 -2.75 120.40 110.46 7i1b s VAL 19 Ca 0.26 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.46 7i1b s VAL 19 Cb -0.15 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.57 7i1b s VAL 19 CO 0.11 0.41 1.70 0.00 -0.31 0.00 0.00 175.10 177.01 7i1b s MET 20 N -0.12 3.17 0.32 4.82 0.23 -1.26 -0.02 119.30 126.44 7i1b s MET 20 Ca -0.00 -0.93 0.26 0.00 -1.03 0.00 0.00 55.69 53.99 7i1b s MET 20 Cb -0.10 -5.26 0.90 0.00 -1.53 0.00 0.00 34.83 28.84 7i1b s MET 20 CO 0.01 -2.78 1.77 1.03 -2.03 0.00 0.00 175.02 173.02 7i1b h SER 21 N 10.08 0.00 -5.40 -1.18 0.87 -1.80 -3.46 113.55 112.66 7i1b h SER 21 Ca 0.19 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.53 7i1b h SER 21 Cb 0.99 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 7i1b h SER 21 CO 1.34 0.00 -0.07 -0.83 -0.53 0.00 0.00 176.83 176.74 7i1b s GLY 22 N -3.76 1.24 0.06 5.77 0.00 -0.75 -5.00 107.32 104.88 7i1b s GLY 22 Ca 0.06 -1.34 -0.31 0.00 0.00 0.00 0.00 44.72 43.13 7i1b s GLY 22 CO 0.52 -0.83 1.47 -2.55 0.00 0.00 0.00 173.10 171.72 7i1b h PRO 23 N 2.07 -0.97 -0.66 2.90 0.11 -2.02 -3.22 132.00 130.21 7i1b h PRO 23 Ca -0.29 0.07 -0.42 0.00 0.11 0.00 0.00 66.00 65.46 7i1b h PRO 23 Cb 1.24 0.22 -0.25 0.00 0.11 0.00 0.00 31.00 32.32 7i1b h PRO 23 CO 0.39 -0.65 0.02 0.66 -0.21 0.00 0.00 178.00 178.22 7i1b n TYR 24 N -5.05 2.18 -3.77 0.65 4.01 -1.26 -4.96 117.16 108.96 7i1b n TYR 24 Ca -0.12 -2.11 -0.14 0.00 -0.16 0.00 0.00 57.90 55.37 7i1b n TYR 24 Cb 0.42 -0.72 -0.15 0.00 -0.31 0.00 0.00 39.34 38.58 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 -3.48 0.05 0.23 -0.72 2.02 -1.22 -4.36 118.70 111.22 7i1b s GLU 25 Ca 0.52 0.28 0.10 0.00 0.02 0.00 0.00 54.97 55.89 7i1b s GLU 25 Cb 0.44 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 7i1b s GLU 25 CO 0.02 -0.15 -0.09 -0.51 0.02 0.00 0.00 175.26 174.54 7i1b s LEU 26 N 1.02 2.94 0.00 1.80 1.43 -1.26 -1.81 118.68 122.81 7i1b s LEU 26 Ca -0.08 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 7i1b s LEU 26 Cb -0.11 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 7i1b s LEU 26 CO -0.04 0.05 -0.05 -0.54 0.23 0.00 0.00 176.35 176.00 7i1b s LYS 27 N -3.28 0.36 -0.32 1.70 1.02 0.97 -2.46 119.74 117.72 7i1b s LYS 27 Ca 0.28 -0.24 -0.10 0.00 0.02 0.00 0.00 55.97 55.93 7i1b s LYS 27 Cb -0.07 -0.30 -0.00 0.00 -0.52 0.00 0.00 37.83 36.93 7i1b s LYS 27 CO 0.17 0.08 0.18 0.00 -0.92 0.00 0.00 175.35 174.85 7i1b s ALA 28 N -0.30 3.32 0.07 5.17 0.00 -1.10 -0.10 121.76 128.81 7i1b s ALA 28 Ca -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.53 7i1b s ALA 28 Cb -0.03 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.63 7i1b s ALA 28 CO -0.00 -0.98 0.08 1.47 0.00 0.00 0.00 175.76 176.33 7i1b n LEU 29 N 5.01 0.00 -4.54 0.00 -0.00 -1.01 -3.85 117.00 112.61 7i1b n LEU 29 Ca -0.13 -0.59 -0.43 0.00 -0.00 0.00 0.00 56.01 54.85 7i1b n LEU 29 Cb 0.49 0.45 -0.06 0.00 -0.00 0.00 0.00 43.42 44.30 7i1b n LEU 29 CO 0.35 -0.12 0.49 -1.00 -0.00 0.00 0.00 177.39 177.11 7i1b s HIS 30 N -3.75 3.04 -0.13 1.47 3.76 -1.26 -1.97 115.29 116.45 7i1b s HIS 30 Ca 0.07 0.15 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 7i1b s HIS 30 Cb 0.00 -3.50 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 7i1b s HIS 30 CO 0.05 -0.90 -0.04 -1.17 -0.85 0.00 0.00 174.74 171.83 7i1b s LEU 31 N 3.08 3.28 0.23 0.89 2.96 -1.26 -5.02 118.68 122.84 7i1b s LEU 31 Ca 0.27 -0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.90 7i1b s LEU 31 Cb -0.13 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.83 7i1b s LEU 31 CO 0.20 0.24 0.68 -1.58 -1.32 0.00 0.00 176.35 174.58 7i1b s GLN 32 N -0.08 1.59 1.12 1.98 0.74 -1.26 -4.93 119.66 118.81 7i1b s GLN 32 Ca 0.02 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.63 7i1b s GLN 32 Cb -0.13 0.60 0.00 0.00 1.10 0.00 0.00 33.01 34.58 7i1b s GLN 32 CO 0.03 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.45 7i1b n GLY 33 N -0.43 -1.90 0.36 2.59 0.00 -1.26 -3.54 105.19 101.01 7i1b n GLY 33 Ca -0.09 -1.35 0.18 0.00 0.00 0.00 0.00 46.02 44.76 7i1b n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 7.50 -2.06 0.30 115.11 122.46 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 7i1b h GLN 34 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -1.50 0.00 0.00 178.83 173.86 7i1b n ASP 35 N -3.38 0.00 0.18 1.46 2.03 -1.23 -2.47 116.55 113.13 7i1b n ASP 35 Ca 0.03 0.31 0.07 0.00 0.52 0.00 0.00 54.79 55.72 7i1b n ASP 35 Cb 0.48 -0.32 0.40 0.00 -0.72 0.00 0.00 41.12 40.96 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 1.85 -0.55 0.15 114.93 115.71 7i1b h MET 36 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 7i1b h MET 36 Cb 0.01 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.04 7i1b h MET 36 CO 0.00 0.00 -0.03 1.05 -0.40 0.00 0.00 176.91 177.53 7i1b h GLU 37 N 0.00 0.00 -0.97 0.39 4.11 -1.75 -1.42 114.58 114.94 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 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 7i1b h GLU 37 CO 0.00 0.03 0.00 1.04 0.07 0.00 0.00 179.01 180.15 7i1b n GLN 38 N -3.39 0.96 -2.86 1.06 6.02 0.52 -4.69 117.38 114.99 7i1b n GLN 38 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 7i1b n GLN 38 Cb 0.14 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.91 3.17 1.02 -1.09 -0.44 -0.54 -4.42 119.66 116.45 7i1b s GLN 39 Ca 0.00 -0.68 -0.13 0.00 -2.50 0.00 0.00 55.36 52.05 7i1b s GLN 39 Cb 0.00 -4.17 0.13 0.00 -1.64 0.00 0.00 33.01 27.32 7i1b s GLN 39 CO 0.00 -1.71 0.63 0.28 0.50 0.00 0.00 175.29 174.99 7i1b n VAL 40 N 5.99 0.00 -3.83 1.34 0.31 -1.11 -5.01 118.33 116.01 7i1b n VAL 40 Ca -0.02 -0.21 -0.26 0.00 -0.01 0.00 0.00 64.34 63.84 7i1b n VAL 40 Cb 0.46 -0.79 -0.17 0.00 -0.91 0.00 0.00 33.84 32.43 7i1b n VAL 40 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 7i1b s VAL 41 N -2.43 0.72 0.19 2.52 1.01 -1.26 -4.78 120.40 116.37 7i1b s VAL 41 Ca 0.61 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.42 7i1b s VAL 41 Cb -0.20 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 7i1b s VAL 41 CO 0.64 0.22 0.28 -0.36 0.00 0.00 0.00 175.10 175.89 7i1b s PHE 42 N 1.82 3.40 -0.61 5.22 0.08 -0.93 -2.97 117.98 123.98 7i1b s PHE 42 Ca 0.04 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.15 7i1b s PHE 42 Cb -0.13 -1.59 0.15 0.00 -0.57 0.00 0.00 43.02 40.88 7i1b s PHE 42 CO -0.07 0.49 0.39 0.45 -0.10 0.00 0.00 175.22 176.39 7i1b s SER 43 N -3.51 4.75 0.23 1.36 0.15 -0.05 -0.69 113.70 115.95 7i1b s SER 43 Ca 0.34 -3.23 -0.30 0.00 0.70 0.00 0.00 55.95 53.46 7i1b s SER 43 Cb -0.10 -1.71 -0.10 0.00 -1.71 0.00 0.00 66.02 62.41 7i1b s SER 43 CO 0.28 -0.22 1.38 -0.32 1.20 0.00 0.00 173.24 175.56 7i1b s MET 44 N -0.60 4.32 -0.08 5.44 1.75 0.16 -2.59 119.30 127.70 7i1b s MET 44 Ca 0.20 2.20 0.01 0.00 -1.25 0.00 0.00 55.69 56.84 7i1b s MET 44 Cb -0.19 -3.14 0.02 0.00 2.84 0.00 0.00 34.83 34.37 7i1b s MET 44 CO -0.05 -0.34 -0.07 -1.12 -0.65 0.00 0.00 175.02 172.78 7i1b s SER 45 N 0.31 1.73 -0.53 1.11 0.01 -0.73 0.28 113.70 115.89 7i1b s SER 45 Ca 0.58 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.32 7i1b s SER 45 Cb -0.40 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.13 7i1b s SER 45 CO 0.42 -0.07 1.59 -0.36 0.41 0.00 0.00 173.24 175.23 7i1b s PHE 46 N 1.27 2.05 0.73 2.43 0.08 -1.12 -0.92 117.98 122.50 7i1b s PHE 46 Ca -0.04 0.58 0.01 0.00 0.12 0.00 0.00 56.93 57.60 7i1b s PHE 46 Cb -0.14 -4.27 0.14 0.00 -0.57 0.00 0.00 43.02 38.18 7i1b s PHE 46 CO -0.03 -2.23 1.00 0.14 -0.10 0.00 0.00 175.22 174.00 7i1b s VAL 47 N 6.90 2.00 0.05 -0.44 -7.23 -0.97 -4.63 120.40 116.10 7i1b s VAL 47 Ca 0.61 -0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 59.89 7i1b s VAL 47 Cb -0.13 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 7i1b s VAL 47 CO 0.26 0.00 0.67 -1.58 -0.31 0.00 0.00 175.10 174.14 7i1b s GLN 48 N -5.13 4.39 0.00 4.82 2.00 -0.24 -4.79 119.66 120.71 7i1b s GLN 48 Ca 0.68 0.90 0.00 0.00 -2.00 0.00 0.00 55.36 54.93 7i1b s GLN 48 Cb -0.04 -3.32 0.00 0.00 0.80 0.00 0.00 33.01 30.45 7i1b s GLN 48 CO 0.45 0.43 0.00 0.41 -0.50 0.00 0.00 175.29 176.08 7i1b n GLY 49 N 2.15 -0.82 3.55 2.59 0.00 -1.26 -4.75 105.19 106.65 7i1b n GLY 49 Ca -0.06 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 0.11 -1.33 1.61 -0.58 -1.26 -4.77 120.64 114.42 7i1b n GLU 50 Ca 0.00 -1.59 -0.42 0.00 -0.42 0.00 0.00 57.16 54.73 7i1b n GLU 50 Cb 0.00 -3.81 -0.05 0.00 -0.57 0.00 0.00 31.44 27.01 7i1b n GLU 50 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 7i1b n GLU 51 N 8.01 1.69 0.00 3.49 1.02 -1.26 -4.54 120.64 129.04 7i1b n GLU 51 Ca 0.40 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 7i1b n GLU 51 Cb 0.47 -3.05 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 7i1b n GLU 51 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 7i1b n SER 52 N 8.01 -0.48 0.06 1.62 2.88 -1.05 -4.97 113.62 119.69 7i1b n SER 52 Ca 0.49 -0.44 0.05 0.00 -1.33 0.00 0.00 58.87 57.65 7i1b n SER 52 Cb 0.41 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 7i1b n SER 52 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 7i1b n ASN 53 N -2.03 0.84 -0.01 -3.46 4.13 -1.26 -4.50 115.26 108.97 7i1b n ASN 53 Ca 0.00 0.35 -0.01 0.00 1.68 0.00 0.00 54.58 56.61 7i1b n ASN 53 Cb 0.00 0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 38.54 7i1b n ASN 53 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 7i1b n ASP 54 N -2.79 4.29 -4.44 6.41 -0.08 -1.26 -4.93 116.55 113.75 7i1b n ASP 54 Ca -0.06 -0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.78 7i1b n ASP 54 Cb 0.72 0.22 -0.04 0.00 2.34 0.00 0.00 41.12 44.35 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 7i1b s LYS 55 N -2.02 3.11 -0.42 -0.67 1.02 -1.26 -4.19 119.74 115.31 7i1b s LYS 55 Ca -0.01 -0.93 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 7i1b s LYS 55 Cb 0.00 -4.21 0.08 0.00 -0.52 0.00 0.00 37.83 33.19 7i1b s LYS 55 CO 0.03 -1.64 0.26 0.42 -0.92 0.00 0.00 175.35 173.50 7i1b s ILE 56 N 3.48 4.16 0.01 2.17 1.01 -1.08 -2.54 121.20 128.40 7i1b s ILE 56 Ca 0.19 -1.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 7i1b s ILE 56 Cb -0.19 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 7i1b s ILE 56 CO 0.10 -0.54 1.72 -2.16 0.00 0.00 0.00 174.94 174.07 7i1b s PRO 57 N 1.40 4.18 0.00 2.79 0.05 -1.26 -2.63 135.00 139.53 7i1b s PRO 57 Ca 0.03 2.33 0.00 0.00 0.05 0.00 0.00 61.00 63.41 7i1b s PRO 57 Cb -0.23 -3.90 0.00 0.00 0.05 0.00 0.00 34.50 30.42 7i1b s PRO 57 CO 0.01 -0.83 0.00 1.33 0.05 0.00 0.00 177.00 177.56 7i1b n VAL 58 N 5.25 0.00 -3.57 -0.36 0.24 -1.02 -2.29 118.33 116.58 7i1b n VAL 58 Ca 0.17 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.30 7i1b n VAL 58 Cb 0.42 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.65 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 -0.30 -0.71 2.33 0.00 -0.10 -2.46 121.76 118.52 7i1b s ALA 59 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 7i1b s ALA 59 Cb 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 22.03 7i1b s ALA 59 CO 0.00 -0.94 1.13 -0.51 0.00 0.00 0.00 175.76 175.44 7i1b s LEU 60 N 2.34 3.78 -0.22 0.00 1.43 -1.26 -1.77 118.68 122.97 7i1b s LEU 60 Ca 0.05 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 7i1b s LEU 60 Cb -0.14 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.62 7i1b s LEU 60 CO -0.10 -1.63 -0.14 -0.83 0.23 0.00 0.00 176.35 173.88 7i1b s GLY 61 N 3.74 1.52 -0.12 -3.19 0.00 -1.07 -2.62 107.32 105.58 7i1b s GLY 61 Ca 0.29 -1.41 -0.39 0.00 0.00 0.00 0.00 44.72 43.21 7i1b s GLY 61 CO 0.12 0.42 1.54 1.04 0.00 0.00 0.00 173.10 176.22 7i1b n LEU 62 N 4.59 1.92 0.05 0.66 4.77 -0.98 -0.87 117.00 127.15 7i1b n LEU 62 Ca -0.18 1.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.77 7i1b n LEU 62 Cb 0.47 -1.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.34 7i1b n LEU 62 CO 0.25 -0.77 0.71 0.50 -1.33 0.00 0.00 177.39 176.75 7i1b h LYS 63 N 5.83 -0.11 0.17 3.23 1.63 -1.81 -3.27 116.57 122.25 7i1b h LYS 63 Ca -0.47 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.35 7i1b h LYS 63 Cb 1.33 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.95 7i1b h LYS 63 CO 0.87 0.16 -0.33 0.93 -3.45 0.00 0.00 179.45 177.62 7i1b h GLU 64 N -0.36 -0.57 0.00 1.90 5.08 -1.89 -3.44 114.58 115.30 7i1b h GLU 64 Ca -0.01 0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.08 7i1b h GLU 64 Cb 0.31 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.69 7i1b h GLU 64 CO 0.02 -0.38 -0.09 1.63 -1.00 0.00 0.00 179.01 179.19 7i1b n LYS 65 N -5.43 0.85 -1.09 2.33 4.76 -1.23 -5.02 118.16 113.33 7i1b n LYS 65 Ca -0.07 -1.95 -0.15 0.00 -2.87 0.00 0.00 58.31 53.27 7i1b n LYS 65 Cb 0.34 -0.01 0.17 0.00 -1.84 0.00 0.00 35.03 33.69 7i1b n LYS 65 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 7i1b n ASN 66 N -2.34 3.59 -4.62 4.39 0.23 -1.26 -4.45 115.26 110.80 7i1b n ASN 66 Ca 0.06 -3.74 -0.39 0.00 -0.53 0.00 0.00 54.58 49.97 7i1b n ASN 66 Cb 0.37 -0.71 -0.08 0.00 -2.08 0.00 0.00 39.78 37.28 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 -3.36 4.06 -0.09 -4.53 1.43 -1.26 -2.68 118.68 112.25 7i1b s LEU 67 Ca 0.51 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.06 7i1b s LEU 67 Cb 0.44 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 7i1b s LEU 67 CO 0.03 -0.23 -0.03 -0.31 0.23 0.00 0.00 176.35 176.04 7i1b s TYR 68 N 2.10 3.06 0.59 0.29 1.51 -1.01 -2.31 117.35 121.57 7i1b s TYR 68 Ca 0.19 0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 56.11 7i1b s TYR 68 Cb -0.16 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 7i1b s TYR 68 CO 0.09 0.33 1.22 -0.51 -1.11 0.00 0.00 175.55 175.58 7i1b s LEU 69 N -0.63 3.68 -0.21 -1.29 1.02 -1.08 -1.30 118.68 118.87 7i1b s LEU 69 Ca 0.10 2.44 -0.10 0.00 0.02 0.00 0.00 54.13 56.58 7i1b s LEU 69 Cb -0.12 -4.57 0.08 0.00 0.02 0.00 0.00 46.19 41.60 7i1b s LEU 69 CO 0.02 -1.62 0.50 -0.94 0.02 0.00 0.00 176.35 174.34 7i1b s SER 70 N -1.52 -0.62 -0.47 2.29 1.04 0.12 -4.47 113.70 110.07 7i1b s SER 70 Ca 0.77 1.13 -0.24 0.00 0.48 0.00 0.00 55.95 58.09 7i1b s SER 70 Cb -0.32 1.20 0.03 0.00 0.10 0.00 0.00 66.02 67.03 7i1b s SER 70 CO 0.35 -0.22 0.88 0.00 0.98 0.00 0.00 173.24 175.23 7i1b s VAL 72 N 3.63 1.96 0.11 0.00 -7.23 -0.88 -4.79 120.40 113.20 7i1b s VAL 72 Ca 0.34 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 7i1b s VAL 72 Cb -0.11 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 7i1b s VAL 72 CO 0.24 -0.28 1.11 -0.76 -0.31 0.00 0.00 175.10 175.10 7i1b s LEU 73 N -2.72 4.43 -0.73 1.32 1.43 -1.26 -1.67 118.68 119.48 7i1b s LEU 73 Ca 0.18 2.00 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 7i1b s LEU 73 Cb -0.06 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.75 7i1b s LEU 73 CO 0.08 -0.31 0.54 -0.54 0.23 0.00 0.00 176.35 176.35 7i1b s LYS 74 N 0.32 2.61 -0.04 1.70 -0.14 0.11 -4.68 119.74 119.62 7i1b s LYS 74 Ca 0.53 -3.27 -0.00 0.00 -1.36 0.00 0.00 55.97 51.87 7i1b s LYS 74 Cb -0.28 -3.54 0.00 0.00 -1.68 0.00 0.00 37.83 32.33 7i1b s LYS 74 CO 0.32 -1.27 0.04 -0.25 -0.76 0.00 0.00 175.35 173.43 7i1b n ASP 75 N 2.16 -2.02 -0.12 2.83 8.00 -1.26 -3.32 116.55 122.82 7i1b n ASP 75 Ca 0.19 -0.02 -0.02 0.00 0.71 0.00 0.00 54.79 55.65 7i1b n ASP 75 Cb 0.35 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.75 -4.94 -4.07 -2.24 8.00 -1.26 -4.96 116.55 106.33 7i1b n ASP 76 Ca -0.01 0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 7i1b n ASP 76 Cb 0.51 -2.57 -0.16 0.00 -0.02 0.00 0.00 41.12 38.88 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 -1.52 2.45 0.43 -1.24 2.47 -1.21 -5.08 119.74 116.04 7i1b s LYS 77 Ca 0.00 -1.02 -0.24 0.00 -1.56 0.00 0.00 55.97 53.15 7i1b s LYS 77 Cb 0.00 -2.64 -0.10 0.00 -1.46 0.00 0.00 37.83 33.63 7i1b s LYS 77 CO 0.00 -0.40 1.01 -2.30 0.16 0.00 0.00 175.35 173.82 7i1b n PRO 78 N 4.57 1.33 -3.78 4.03 -0.02 -1.26 0.07 135.00 139.94 7i1b n PRO 78 Ca -0.17 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.70 7i1b n PRO 78 Cb 0.46 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.29 0.02 -0.13 3.45 2.01 -0.67 -4.73 115.64 114.30 7i1b s THR 79 Ca 0.64 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 7i1b s THR 79 Cb -0.54 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 7i1b s THR 79 CO 0.56 -0.11 0.06 -0.22 -0.69 0.00 0.00 174.62 174.22 7i1b s LEU 80 N -2.89 3.85 0.04 4.42 2.96 -1.26 -2.08 118.68 123.72 7i1b s LEU 80 Ca 0.11 0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 7i1b s LEU 80 Cb -0.01 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.80 7i1b s LEU 80 CO -0.01 0.31 0.50 -1.58 -1.32 0.00 0.00 176.35 174.25 7i1b s GLN 81 N -0.46 1.00 -0.30 1.98 0.74 -0.85 -4.81 119.66 116.96 7i1b s GLN 81 Ca 0.10 -0.23 -0.15 0.00 0.05 0.00 0.00 55.36 55.13 7i1b s GLN 81 Cb -0.12 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 34.42 7i1b s GLN 81 CO 0.02 -0.35 0.36 -0.51 -0.55 0.00 0.00 175.29 174.26 7i1b s LEU 82 N -1.90 4.21 -0.21 3.68 1.43 -1.26 0.16 118.68 124.79 7i1b s LEU 82 Ca -0.06 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 7i1b s LEU 82 Cb -0.01 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 7i1b s LEU 82 CO -0.01 -0.25 0.02 -0.70 0.23 0.00 0.00 176.35 175.64 7i1b s GLU 83 N 2.04 3.65 -0.17 1.70 2.56 -0.42 -4.91 118.70 123.15 7i1b s GLU 83 Ca 0.13 -0.50 -0.29 0.00 0.00 0.00 0.00 54.97 54.31 7i1b s GLU 83 Cb -0.16 -3.14 -0.03 0.00 2.00 0.00 0.00 34.13 32.79 7i1b s GLU 83 CO 0.11 -0.01 1.61 -1.54 -0.56 0.00 0.00 175.26 174.87 7i1b s SER 84 N 1.09 6.49 0.08 -1.70 1.04 -1.26 -2.42 113.70 117.02 7i1b s SER 84 Ca 0.03 1.81 0.01 0.00 0.48 0.00 0.00 55.95 58.28 7i1b s SER 84 Cb -0.14 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.46 7i1b s SER 84 CO 0.02 -1.13 0.10 1.33 0.98 0.00 0.00 173.24 174.54 7i1b n VAL 85 N 6.08 0.00 -2.79 5.02 0.24 -1.09 -4.98 118.33 120.80 7i1b n VAL 85 Ca 0.18 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 7i1b n VAL 85 Cb 0.44 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.90 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 -1.49 6.88 0.00 -1.34 -1.08 -1.26 -4.89 116.67 113.49 7i1b s ASP 86 Ca 0.08 1.04 0.02 0.00 -0.52 0.00 0.00 52.55 53.17 7i1b s ASP 86 Cb -0.01 -2.48 0.10 0.00 -1.46 0.00 0.00 42.92 39.07 7i1b s ASP 86 CO 0.05 -0.65 0.99 -2.65 0.52 0.00 0.00 175.17 173.43 7i1b n PRO 87 N 6.31 0.01 -0.12 4.34 -0.02 -1.26 -2.35 135.00 141.91 7i1b n PRO 87 Ca 0.08 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.78 7i1b n PRO 87 Cb 0.47 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 7i1b n LYS 88 N -1.41 0.57 -0.24 -0.52 4.76 -1.26 -4.40 118.16 115.65 7i1b n LYS 88 Ca 0.01 0.14 0.04 0.00 -2.87 0.00 0.00 58.31 55.62 7i1b n LYS 88 Cb 0.02 -1.46 0.14 0.00 -1.84 0.00 0.00 35.03 31.90 7i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 7i1b n ASN 89 N -3.20 2.14 -3.75 4.39 5.03 -1.00 -4.84 115.26 114.04 7i1b n ASN 89 Ca -0.41 -2.17 -0.13 0.00 0.87 0.00 0.00 54.58 52.74 7i1b n ASN 89 Cb 0.93 -0.37 -0.08 0.00 -1.02 0.00 0.00 39.78 39.24 7i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 7i1b s TYR 90 N -1.65 -0.20 0.06 3.10 2.02 -0.99 -3.87 117.35 115.83 7i1b s TYR 90 Ca 0.20 0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.88 7i1b s TYR 90 Cb 0.13 0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.75 7i1b s TYR 90 CO 0.10 -0.41 1.12 -1.25 -1.57 0.00 0.00 175.55 173.54 7i1b s PRO 91 N -1.40 4.49 0.23 -1.71 0.04 -1.26 -4.74 135.00 130.65 7i1b s PRO 91 Ca -0.13 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.64 7i1b s PRO 91 Cb -0.05 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 7i1b s PRO 91 CO 0.04 -0.14 0.18 0.21 0.04 0.00 0.00 177.00 177.32 7i1b s LYS 92 N 0.81 2.91 0.29 4.56 2.20 -1.25 -4.84 119.74 124.41 7i1b s LYS 92 Ca 0.55 -1.01 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 7i1b s LYS 92 Cb -0.27 -2.58 0.48 0.00 -1.51 0.00 0.00 37.83 33.95 7i1b s LYS 92 CO 0.30 0.42 1.90 1.57 -0.36 0.00 0.00 175.35 179.18 7i1b h LYS 93 N 1.77 1.06 -5.88 4.03 2.10 -1.93 -3.41 116.57 114.30 7i1b h LYS 93 Ca -0.48 -0.06 -0.65 0.00 -2.00 0.00 0.00 60.65 57.46 7i1b h LYS 93 Cb 1.23 -0.24 -0.07 0.00 -0.90 0.00 0.00 32.23 32.25 7i1b h LYS 93 CO 0.61 0.70 -0.52 0.21 -2.00 0.00 0.00 179.45 178.45 7i1b s LYS 94 N -5.96 3.29 0.07 0.07 2.36 -1.26 -1.08 119.74 117.23 7i1b s LYS 94 Ca -0.12 -0.38 -0.13 0.00 -2.55 0.00 0.00 55.97 52.79 7i1b s LYS 94 Cb 0.20 -3.01 0.02 0.00 -1.05 0.00 0.00 37.83 33.99 7i1b s LYS 94 CO 0.81 0.67 0.28 -1.64 1.55 0.00 0.00 175.35 177.01 7i1b s MET 95 N -1.85 0.86 0.52 4.03 -1.94 -1.26 -5.00 119.30 114.66 7i1b s MET 95 Ca 0.25 -0.67 -0.18 0.00 -1.71 0.00 0.00 55.69 53.38 7i1b s MET 95 Cb -0.12 0.37 -0.07 0.00 2.01 0.00 0.00 34.83 37.01 7i1b s MET 95 CO 0.17 -0.29 1.02 -1.21 -0.01 0.00 0.00 175.02 174.70 7i1b s GLU 96 N -3.12 3.72 0.59 2.03 2.02 -1.26 -4.85 118.70 117.83 7i1b s GLU 96 Ca -0.01 1.20 0.29 0.00 0.02 0.00 0.00 54.97 56.47 7i1b s GLU 96 Cb 0.01 -2.09 1.41 0.00 0.10 0.00 0.00 34.13 33.56 7i1b s GLU 96 CO -0.07 -0.48 1.81 0.87 0.02 0.00 0.00 175.26 177.42 7i1b h LYS 97 N 1.10 0.00 -0.80 1.61 6.56 -1.92 0.21 116.57 123.33 7i1b h LYS 97 Ca -0.48 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.08 7i1b h LYS 97 Cb 1.21 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.83 7i1b h LYS 97 CO 0.59 0.00 0.40 -0.09 -2.06 0.00 0.00 179.45 178.29 7i1b h ARG 98 N 0.00 1.13 -0.02 3.15 9.65 -1.90 -2.49 114.38 123.91 7i1b h ARG 98 Ca 0.26 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 7i1b h ARG 98 Cb 1.44 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 7i1b h ARG 98 CO -0.00 0.86 -0.13 1.19 2.80 0.00 0.00 179.97 184.68 7i1b n PHE 99 N -4.32 0.00 -3.41 2.20 3.72 0.70 -2.36 117.46 113.98 7i1b n PHE 99 Ca 0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.10 7i1b n PHE 99 Cb 0.13 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.17 5.22 -0.20 -4.37 1.01 -0.90 -4.40 120.40 114.60 7i1b s VAL 100 Ca 0.28 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.99 7i1b s VAL 100 Cb 0.20 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.90 7i1b s VAL 100 CO 0.40 0.30 -0.11 -0.36 0.00 0.00 0.00 175.10 175.33 7i1b s PHE 101 N 0.94 2.50 -0.62 5.22 0.40 -1.03 -2.24 117.98 123.15 7i1b s PHE 101 Ca 0.20 -1.64 -0.27 0.00 -0.60 0.00 0.00 56.93 54.62 7i1b s PHE 101 Cb -0.14 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.71 7i1b s PHE 101 CO 0.07 -0.76 1.58 -0.80 0.70 0.00 0.00 175.22 176.02 7i1b s ASN 102 N 1.37 5.77 -0.14 1.36 0.01 -0.95 -2.44 114.94 119.92 7i1b s ASN 102 Ca -0.01 0.16 -0.29 0.00 -0.71 0.00 0.00 52.86 52.00 7i1b s ASN 102 Cb -0.16 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 7i1b s ASN 102 CO -0.08 -2.02 1.09 -1.59 -1.51 0.00 0.00 177.10 172.99 7i1b s LYS 103 N 6.21 4.34 0.20 -0.60 0.00 -1.08 -2.58 119.74 126.23 7i1b s LYS 103 Ca 0.55 1.48 0.09 0.00 0.00 0.00 0.00 55.97 58.09 7i1b s LYS 103 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 37.83 34.07 7i1b s LYS 103 CO 0.21 -0.48 -0.10 0.42 0.00 0.00 0.00 175.35 175.40 7i1b s ILE 104 N 2.59 3.13 -0.14 3.79 1.01 -0.02 -2.64 121.20 128.92 7i1b s ILE 104 Ca 0.50 -1.75 0.01 0.00 0.00 0.00 0.00 60.65 59.40 7i1b s ILE 104 Cb -0.19 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 7i1b s ILE 104 CO 0.15 -0.16 -0.15 -1.61 0.00 0.00 0.00 174.94 173.16 7i1b s GLU 105 N -2.97 3.26 -0.20 2.79 2.02 -1.26 -1.03 118.70 121.31 7i1b s GLU 105 Ca 0.26 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 7i1b s GLU 105 Cb -0.08 -2.59 0.09 0.00 0.10 0.00 0.00 34.13 31.65 7i1b s GLU 105 CO 0.15 0.12 0.20 0.42 0.02 0.00 0.00 175.26 176.17 7i1b s ILE 106 N 0.57 -0.28 -1.11 -1.63 -1.09 0.14 -4.88 121.20 112.92 7i1b s ILE 106 Ca -0.09 -0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.14 7i1b s ILE 106 Cb -0.16 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.05 7i1b s ILE 106 CO 0.04 -0.24 0.95 -3.20 -1.23 0.00 0.00 174.94 171.26 7i1b n ASN 107 N 5.31 -3.97 -0.10 3.58 2.85 -1.26 -1.81 115.26 119.86 7i1b n ASN 107 Ca -0.06 -0.50 -0.01 0.00 -0.11 0.00 0.00 54.58 53.90 7i1b n ASN 107 Cb 0.49 -4.48 -0.01 0.00 1.24 0.00 0.00 39.78 37.03 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 7i1b n ASN 108 N -2.63 -4.83 -4.63 1.20 2.85 -1.26 -4.98 115.26 100.98 7i1b n ASN 108 Ca -0.12 0.03 -0.23 0.00 -0.11 0.00 0.00 54.58 54.15 7i1b n ASN 108 Cb 0.60 -2.44 -0.08 0.00 1.24 0.00 0.00 39.78 39.10 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 7i1b s LYS 109 N -1.42 2.26 0.11 1.20 1.02 -0.75 -5.02 119.74 117.13 7i1b s LYS 109 Ca 0.00 -1.41 0.06 0.00 0.02 0.00 0.00 55.97 54.64 7i1b s LYS 109 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 7i1b s LYS 109 CO 0.00 0.37 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.26 7i1b s LEU 110 N -3.57 3.30 -0.06 3.17 1.43 -0.87 -0.68 118.68 121.40 7i1b s LEU 110 Ca 0.31 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 7i1b s LEU 110 Cb -0.07 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.16 7i1b s LEU 110 CO 0.19 0.16 0.09 -1.61 0.23 0.00 0.00 176.35 175.41 7i1b s GLU 111 N -2.42 -0.03 -0.38 1.70 2.02 -0.20 -0.61 118.70 118.78 7i1b s GLU 111 Ca 0.25 0.40 -0.15 0.00 0.02 0.00 0.00 54.97 55.49 7i1b s GLU 111 Cb -0.11 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.58 7i1b s GLU 111 CO 0.17 -0.35 0.31 -0.06 0.02 0.00 0.00 175.26 175.35 7i1b s PHE 112 N 2.21 3.22 -0.17 1.61 0.08 -1.26 -0.84 117.98 122.83 7i1b s PHE 112 Ca 0.04 -0.32 -0.09 0.00 0.12 0.00 0.00 56.93 56.68 7i1b s PHE 112 Cb -0.12 -2.61 -0.05 0.00 -0.57 0.00 0.00 43.02 39.67 7i1b s PHE 112 CO -0.04 -0.50 0.13 -2.00 -0.10 0.00 0.00 175.22 172.71 7i1b s GLU 113 N 1.82 3.89 -0.31 0.44 2.12 -1.06 -2.32 118.70 123.27 7i1b s GLU 113 Ca 0.08 -0.20 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 7i1b s GLU 113 Cb -0.18 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 7i1b s GLU 113 CO 0.11 0.48 2.13 0.45 -0.54 0.00 0.00 175.26 177.88 7i1b s SER 114 N -0.16 5.38 0.60 -1.70 0.15 0.21 -2.23 113.70 115.95 7i1b s SER 114 Ca 0.10 1.52 0.21 0.00 0.70 0.00 0.00 55.95 58.49 7i1b s SER 114 Cb -0.11 -2.51 1.16 0.00 -1.71 0.00 0.00 66.02 62.84 7i1b s SER 114 CO 0.00 -2.07 1.63 0.00 1.20 0.00 0.00 173.24 174.00 7i1b h ALA 115 N 15.26 1.43 0.03 5.45 0.00 -1.61 -1.53 119.26 138.28 7i1b h ALA 115 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 7i1b h ALA 115 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 7i1b h ALA 115 CO 1.02 -0.43 -0.01 0.37 0.00 0.00 0.00 179.25 180.20 7i1b h GLN 116 N 0.00 -0.04 -4.36 0.00 5.75 -1.80 -3.43 115.11 111.23 7i1b h GLN 116 Ca 0.00 0.00 -0.72 0.00 -0.15 0.00 0.00 58.65 57.79 7i1b h GLN 116 Cb 0.91 0.01 -0.31 0.00 1.07 0.00 0.00 27.48 29.15 7i1b h GLN 116 CO 0.00 -0.03 -0.44 -0.06 -2.65 0.00 0.00 178.83 175.65 7i1b s PHE 117 N -1.60 3.48 0.68 3.99 0.08 -0.58 -5.08 117.98 118.95 7i1b s PHE 117 Ca -0.01 -2.04 -0.17 0.00 0.12 0.00 0.00 56.93 54.84 7i1b s PHE 117 Cb 0.00 -3.39 0.01 0.00 -0.57 0.00 0.00 43.02 39.07 7i1b s PHE 117 CO 0.02 -0.98 1.25 -2.14 -0.10 0.00 0.00 175.22 173.26 7i1b s PRO 118 N 1.29 2.37 0.00 0.24 0.02 -1.23 -2.37 135.00 135.33 7i1b s PRO 118 Ca 0.06 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.00 7i1b s PRO 118 Cb -0.25 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.43 7i1b s PRO 118 CO -0.02 -1.70 0.00 0.09 -0.33 0.00 0.00 177.00 175.05 7i1b n ASN 119 N -2.27 0.00 -4.38 2.53 5.03 -1.26 -4.99 115.26 109.92 7i1b n ASN 119 Ca 0.15 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.24 7i1b n ASN 119 Cb 0.49 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.12 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 7i1b s TRP 120 N -2.95 3.04 0.51 3.10 0.52 -1.00 -4.67 118.94 117.49 7i1b s TRP 120 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 56.10 55.43 7i1b s TRP 120 Cb 0.00 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 7i1b s TRP 120 CO 0.00 -0.46 0.00 0.71 0.02 0.00 0.00 176.95 177.22 7i1b s TYR 121 N 1.54 1.85 -0.04 -1.98 1.51 -1.03 -0.62 117.35 118.59 7i1b s TYR 121 Ca 0.06 -0.97 -0.23 0.00 -1.01 0.00 0.00 57.07 54.93 7i1b s TYR 121 Cb -0.15 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 7i1b s TYR 121 CO 0.00 0.22 0.67 0.42 -1.11 0.00 0.00 175.55 175.75 7i1b s ILE 122 N -2.89 4.98 0.15 2.71 1.01 -0.98 -2.28 121.20 123.90 7i1b s ILE 122 Ca 0.05 1.38 -0.05 0.00 0.00 0.00 0.00 60.65 62.03 7i1b s ILE 122 Cb 0.01 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 7i1b s ILE 122 CO 0.03 0.31 0.18 -0.44 0.00 0.00 0.00 174.94 175.03 7i1b s SER 123 N 0.42 0.16 0.16 3.58 0.01 -0.85 -4.47 113.70 112.72 7i1b s SER 123 Ca 0.35 -1.02 0.04 0.00 1.31 0.00 0.00 55.95 56.63 7i1b s SER 123 Cb -0.18 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 7i1b s SER 123 CO 0.18 -0.82 -0.07 0.42 0.41 0.00 0.00 173.24 173.36 7i1b s THR 124 N -4.01 1.06 -0.18 1.44 -4.23 -0.82 -2.70 115.64 106.20 7i1b s THR 124 Ca 0.20 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 7i1b s THR 124 Cb 0.05 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 7i1b s THR 124 CO 0.01 -0.63 0.46 -0.55 -0.54 0.00 0.00 174.62 173.36 7i1b s SER 125 N -3.19 6.53 0.56 3.99 0.15 -1.26 -2.77 113.70 117.71 7i1b s SER 125 Ca 0.20 0.64 0.36 0.00 0.70 0.00 0.00 55.95 57.84 7i1b s SER 125 Cb 0.04 -2.27 1.51 0.00 -1.71 0.00 0.00 66.02 63.59 7i1b s SER 125 CO 0.02 -0.10 1.76 -0.61 1.20 0.00 0.00 173.24 175.52 7i1b h GLN 126 N 7.26 0.00 -6.43 5.44 5.75 -1.97 -3.41 115.11 121.75 7i1b h GLN 126 Ca -0.36 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 57.64 7i1b h GLN 126 Cb 1.16 0.00 0.24 0.00 1.07 0.00 0.00 27.48 29.95 7i1b h GLN 126 CO 0.73 0.00 -1.49 0.00 -2.65 0.00 0.00 178.83 175.43 7i1b n ALA 127 N -2.68 -4.42 -2.35 3.38 0.00 -1.26 -4.92 120.51 108.26 7i1b n ALA 127 Ca 0.24 -1.06 -0.37 0.00 0.00 0.00 0.00 53.44 52.26 7i1b n ALA 127 Cb 1.24 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.91 4.04 -0.43 0.00 2.02 -1.26 -4.56 118.70 115.60 7i1b s GLU 128 Ca 0.49 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.74 7i1b s GLU 128 Cb -0.10 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.12 7i1b s GLU 128 CO 0.69 0.55 0.62 0.09 0.02 0.00 0.00 175.26 177.23 7i1b n ASN 129 N 1.18 -6.51 -3.78 -0.19 3.02 -1.25 -5.02 115.26 102.72 7i1b n ASN 129 Ca -0.08 0.15 -0.15 0.00 -0.03 0.00 0.00 54.58 54.47 7i1b n ASN 129 Cb 0.52 -3.14 -0.16 0.00 -0.61 0.00 0.00 39.78 36.38 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 -2.47 -0.03 0.54 3.52 1.75 -1.25 -5.00 119.30 116.36 7i1b s MET 130 Ca 0.32 0.18 -0.22 0.00 -1.25 0.00 0.00 55.69 54.72 7i1b s MET 130 Cb -0.05 -0.23 -0.05 0.00 2.84 0.00 0.00 34.83 37.34 7i1b s MET 130 CO 0.82 -0.16 1.30 -2.30 -0.65 0.00 0.00 175.02 174.03 7i1b n PRO 131 N 4.10 1.61 -1.93 4.11 -0.01 -1.26 -2.71 135.00 138.90 7i1b n PRO 131 Ca -0.27 0.59 -0.32 0.00 -0.01 0.00 0.00 63.50 63.49 7i1b n PRO 131 Cb 0.51 -2.51 0.02 0.00 -0.01 0.00 0.00 33.50 31.52 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 -1.30 3.77 0.37 -1.45 1.01 -1.03 -4.75 120.40 117.02 7i1b s VAL 132 Ca 0.71 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.35 7i1b s VAL 132 Cb -0.43 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.65 7i1b s VAL 132 CO 0.50 -0.54 0.73 0.72 0.00 0.00 0.00 175.10 176.51 7i1b s PHE 133 N -2.53 0.25 -0.21 5.22 -0.71 -1.10 -4.85 117.98 114.06 7i1b s PHE 133 Ca 0.63 -0.84 -0.08 0.00 -1.04 0.00 0.00 56.93 55.60 7i1b s PHE 133 Cb -0.16 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 7i1b s PHE 133 CO 0.40 -1.47 0.09 -1.17 -1.34 0.00 0.00 175.22 171.74 7i1b s LEU 134 N -3.08 3.87 0.13 -1.99 2.96 -1.26 -2.00 118.68 117.29 7i1b s LEU 134 Ca 0.18 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 7i1b s LEU 134 Cb -0.04 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 7i1b s LEU 134 CO 0.12 0.12 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.36 7i1b s GLY 135 N 0.71 0.94 -0.64 7.98 0.00 -0.97 -4.63 107.32 110.71 7i1b s GLY 135 Ca 0.05 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.36 7i1b s GLY 135 CO 0.02 -1.53 1.51 0.61 0.00 0.00 0.00 173.10 173.71 7i1b n GLY 136 N -0.11 5.79 2.89 0.20 0.00 -1.26 -2.46 105.19 110.25 7i1b n GLY 136 Ca -0.11 -2.64 -0.29 0.00 0.00 0.00 0.00 46.02 42.98 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 -5.24 2.56 -0.70 2.61 2.01 -1.26 -5.04 115.64 110.58 7i1b s THR 137 Ca 0.49 -3.67 -0.26 0.00 0.31 0.00 0.00 61.69 58.56 7i1b s THR 137 Cb 0.40 -2.73 -0.07 0.00 0.01 0.00 0.00 72.50 70.11 7i1b s THR 137 CO -0.28 -0.91 2.18 -0.75 -0.69 0.00 0.00 174.62 174.17 7i1b s LYS 138 N -0.76 2.18 5.96 4.92 2.20 -1.26 -4.58 119.74 128.40 7i1b s LYS 138 Ca 0.21 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 7i1b s LYS 138 Cb -0.15 -4.71 0.00 0.00 -1.51 0.00 0.00 37.83 31.46 7i1b s LYS 138 CO -0.08 -3.51 0.00 0.41 -0.36 0.00 0.00 175.35 171.81 7i1b n GLY 139 N 6.36 1.89 7.00 5.54 0.00 -1.26 -4.99 105.19 119.73 7i1b n GLY 139 Ca 0.37 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 3.95 0.09 -0.02 0.00 -1.26 -3.05 105.19 104.90 7i1b n GLY 140 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 14.00 0.99 -2.19 1.61 0.00 -1.26 -4.98 117.38 125.55 7i1b n GLN 141 Ca 0.00 0.05 -0.35 0.00 -0.00 0.00 0.00 57.00 56.70 7i1b n GLN 141 Cb 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 30.24 28.85 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 -5.43 5.57 -0.56 1.69 1.11 -1.17 -4.81 116.67 113.07 7i1b s ASP 142 Ca -0.17 2.24 -0.19 0.00 0.18 0.00 0.00 52.55 54.61 7i1b s ASP 142 Cb 0.06 -2.59 0.09 0.00 1.07 0.00 0.00 42.92 41.55 7i1b s ASP 142 CO 0.56 -1.33 0.66 -0.63 1.18 0.00 0.00 175.17 175.62 7i1b s ILE 143 N -1.71 4.86 -0.12 0.77 1.01 -1.12 -4.50 121.20 120.38 7i1b s ILE 143 Ca 0.74 -0.82 0.18 0.00 0.00 0.00 0.00 60.65 60.75 7i1b s ILE 143 Cb -0.26 -4.41 -0.21 0.00 0.01 0.00 0.00 42.46 37.60 7i1b s ILE 143 CO 0.29 -0.99 0.54 0.35 0.00 0.00 0.00 174.94 175.13 7i1b n THR 144 N 5.56 1.04 -1.31 2.92 -2.24 -1.26 -1.95 114.28 117.03 7i1b n THR 144 Ca -0.09 -0.71 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 7i1b n THR 144 Cb 0.43 -0.53 0.19 0.00 -2.10 0.00 0.00 70.33 68.32 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 -5.47 2.39 0.28 3.42 1.47 -1.26 -4.61 116.67 112.89 7i1b s ASP 145 Ca -0.06 0.87 -0.07 0.00 1.18 0.00 0.00 52.55 54.47 7i1b s ASP 145 Cb 0.09 -1.33 0.03 0.00 -0.34 0.00 0.00 42.92 41.36 7i1b s ASP 145 CO 0.84 -3.24 0.50 0.49 0.68 0.00 0.00 175.17 174.43 7i1b n PHE 146 N -4.20 -1.68 -3.67 2.11 3.72 0.22 -4.19 117.46 109.76 7i1b n PHE 146 Ca 0.09 -1.54 -0.15 0.00 -0.05 0.00 0.00 57.45 55.80 7i1b n PHE 146 Cb 0.59 0.58 -0.14 0.00 -0.94 0.00 0.00 39.48 39.56 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 -2.49 -0.32 0.19 4.37 -4.23 0.10 -2.04 115.64 111.22 7i1b s THR 147 Ca 0.16 0.30 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 7i1b s THR 147 Cb -0.02 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 7i1b s THR 147 CO 0.12 0.13 0.04 -0.32 -0.54 0.00 0.00 174.62 174.04 7i1b s MET 148 N 2.25 2.52 -0.15 3.99 1.75 -1.26 -0.59 119.30 127.81 7i1b s MET 148 Ca 0.01 -1.11 -0.07 0.00 -1.25 0.00 0.00 55.69 53.27 7i1b s MET 148 Cb -0.12 -2.40 0.06 0.00 2.84 0.00 0.00 34.83 35.21 7i1b s MET 148 CO -0.07 0.44 0.35 -1.14 -0.65 0.00 0.00 175.02 173.95 7i1b s GLN 149 N -3.16 0.30 0.51 4.11 0.74 -1.04 -5.00 119.66 116.13 7i1b s GLN 149 Ca 0.29 0.75 -0.23 0.00 0.05 0.00 0.00 55.36 56.22 7i1b s GLN 149 Cb -0.09 0.00 -0.06 0.00 1.10 0.00 0.00 33.01 33.96 7i1b s GLN 149 CO 0.20 -0.19 1.39 -0.06 -0.55 0.00 0.00 175.29 176.08 7i1b s PHE 150 N 1.69 2.34 0.42 1.67 0.40 -1.26 -2.34 117.98 120.89 7i1b s PHE 150 Ca -0.07 1.33 0.01 0.00 -0.60 0.00 0.00 56.93 57.60 7i1b s PHE 150 Cb -0.10 -3.86 0.01 0.00 0.51 0.00 0.00 43.02 39.58 7i1b s PHE 150 CO -0.11 -2.95 0.06 1.33 0.70 0.00 0.00 175.22 174.25 7i1b n VAL 151 N -0.72 0.00 -3.81 -0.44 0.24 -0.99 -4.88 118.33 107.74 7i1b n VAL 151 Ca 0.08 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 7i1b n VAL 151 Cb 0.44 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 7i1b n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 7i1b n SER 152 N -1.37 0.00 -0.31 -1.34 7.64 -1.26 -4.95 113.62 112.04 7i1b n SER 152 Ca -0.14 -0.97 0.15 0.00 1.01 0.00 0.00 58.87 58.92 7i1b n SER 152 Cb 0.52 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.39 7i1b n SER 152 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49