#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 0.68 -2.25 0.00 -0.05 -1.26 -4.76 135.00 127.36 7i1b n PRO 2 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.35 7i1b n PRO 2 Cb 0.00 -1.16 0.01 0.00 -0.05 0.00 0.00 33.50 32.30 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 7i1b n VAL 3 N 1.23 0.00 -3.71 0.52 0.31 -1.26 -5.03 118.33 110.39 7i1b n VAL 3 Ca 0.00 -0.85 -0.25 0.00 -0.01 0.00 0.00 64.34 63.23 7i1b n VAL 3 Cb 0.34 -0.45 -0.17 0.00 -0.91 0.00 0.00 33.84 32.65 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 7i1b s ARG 4 N -2.95 0.45 0.84 5.55 0.52 -1.26 -5.08 118.95 117.02 7i1b s ARG 4 Ca 0.16 -0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 55.13 7i1b s ARG 4 Cb -0.01 -1.63 0.15 0.00 0.52 0.00 0.00 34.95 33.98 7i1b s ARG 4 CO 0.10 -0.54 1.17 -1.12 0.02 0.00 0.00 175.30 174.93 7i1b s SER 5 N 1.98 3.80 -0.30 0.23 0.01 -1.26 -3.42 113.70 114.73 7i1b s SER 5 Ca 0.02 0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.26 7i1b s SER 5 Cb -0.15 -0.34 0.15 0.00 0.21 0.00 0.00 66.02 65.89 7i1b s SER 5 CO -0.07 -2.27 0.77 -0.22 0.41 0.00 0.00 173.24 171.86 7i1b s LEU 6 N -5.54 -0.96 0.22 2.44 2.96 0.28 -4.96 118.68 113.12 7i1b s LEU 6 Ca 0.69 1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.55 7i1b s LEU 6 Cb -0.05 2.06 -0.09 0.00 0.50 0.00 0.00 46.19 48.61 7i1b s LEU 6 CO 0.49 -0.18 1.15 0.20 -1.32 0.00 0.00 176.35 176.69 7i1b s ASN 7 N 2.75 7.17 -0.02 3.68 0.01 -1.26 -0.37 114.94 126.90 7i1b s ASN 7 Ca -0.03 2.24 -0.29 0.00 -0.71 0.00 0.00 52.86 54.07 7i1b s ASN 7 Cb -0.10 -2.61 0.08 0.00 0.41 0.00 0.00 41.25 39.03 7i1b s ASN 7 CO -0.18 -0.27 0.74 0.00 -1.51 0.00 0.00 177.10 175.87 7i1b s THR 9 N -1.85 4.11 -0.09 0.00 -4.23 -0.70 -1.81 115.64 111.07 7i1b s THR 9 Ca -0.06 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 7i1b s THR 9 Cb -0.00 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 7i1b s THR 9 CO 0.02 -0.19 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.03 7i1b s LEU 10 N -3.28 2.80 -0.02 4.79 1.43 -1.26 -1.76 118.68 121.38 7i1b s LEU 10 Ca 0.30 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 7i1b s LEU 10 Cb -0.09 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.54 7i1b s LEU 10 CO 0.22 0.28 -0.03 -0.60 0.23 0.00 0.00 176.35 176.44 7i1b s ARG 11 N -0.30 0.51 0.67 1.70 3.52 -0.53 -3.51 118.95 121.00 7i1b s ARG 11 Ca 0.03 -0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.43 7i1b s ARG 11 Cb -0.13 -0.56 -0.01 0.00 -1.56 0.00 0.00 34.95 32.70 7i1b s ARG 11 CO 0.03 -0.02 1.06 0.16 -0.81 0.00 0.00 175.30 175.72 7i1b s ASP 12 N 0.51 5.74 0.00 -2.12 -4.77 -0.83 -0.47 116.67 114.73 7i1b s ASP 12 Ca -0.06 1.21 0.07 0.00 -3.30 0.00 0.00 52.55 50.47 7i1b s ASP 12 Cb -0.09 -2.11 0.33 0.00 -1.09 0.00 0.00 42.92 39.95 7i1b s ASP 12 CO -0.00 -1.15 1.08 -1.54 0.70 0.00 0.00 175.17 174.26 7i1b n SER 13 N -2.89 0.00 -0.51 2.11 3.41 -1.26 -1.08 113.62 113.41 7i1b n SER 13 Ca 0.06 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 59.03 7i1b n SER 13 Cb 0.56 -0.31 0.47 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.31 1.69 -0.86 4.33 7.27 -1.26 -4.89 117.38 122.34 7i1b n GLN 14 Ca 0.03 -1.01 0.00 0.00 0.07 0.00 0.00 57.00 56.09 7i1b n GLN 14 Cb 0.06 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.26 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 0.23 0.00 -2.50 3.69 7.27 -0.24 -5.03 117.38 120.79 7i1b n GLN 15 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.02 7i1b n GLN 15 Cb 0.35 -2.36 0.04 0.00 2.41 0.00 0.00 30.24 30.68 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 -0.14 2.51 0.23 3.69 1.02 -1.25 -4.88 119.74 120.91 7i1b s LYS 16 Ca 0.00 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 55.55 7i1b s LYS 16 Cb 0.00 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 7i1b s LYS 16 CO 0.00 -0.85 -0.08 -1.12 -0.92 0.00 0.00 175.35 172.39 7i1b s SER 17 N -4.42 2.35 0.00 2.83 0.01 -1.06 -1.97 113.70 111.45 7i1b s SER 17 Ca 0.57 -1.12 -0.19 0.00 1.31 0.00 0.00 55.95 56.52 7i1b s SER 17 Cb -0.10 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 7i1b s SER 17 CO 0.41 -0.33 0.54 -0.76 0.41 0.00 0.00 173.24 173.51 7i1b s LEU 18 N -3.33 4.44 -0.01 2.44 1.43 -1.23 -2.41 118.68 120.01 7i1b s LEU 18 Ca 0.25 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 7i1b s LEU 18 Cb 0.03 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 7i1b s LEU 18 CO 0.08 0.18 -0.15 0.68 0.23 0.00 0.00 176.35 177.36 7i1b s VAL 19 N -0.50 1.20 -1.13 -1.59 -7.23 0.92 -2.62 120.40 109.46 7i1b s VAL 19 Ca 0.28 -0.65 -0.21 0.00 -1.81 0.00 0.00 61.98 59.60 7i1b s VAL 19 Cb -0.18 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.81 7i1b s VAL 19 CO 0.16 0.34 1.57 0.00 -0.31 0.00 0.00 175.10 176.86 7i1b s MET 20 N -0.33 3.74 0.37 4.82 0.23 -1.26 -0.84 119.30 126.03 7i1b s MET 20 Ca 0.05 -1.47 0.27 0.00 -1.03 0.00 0.00 55.69 53.52 7i1b s MET 20 Cb -0.06 -5.43 0.93 0.00 -1.53 0.00 0.00 34.83 28.74 7i1b s MET 20 CO -0.00 -2.24 1.79 1.03 -2.03 0.00 0.00 175.02 173.56 7i1b h SER 21 N 8.92 0.00 -5.27 -1.18 0.87 -1.86 -3.46 113.55 111.56 7i1b h SER 21 Ca 0.30 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.72 7i1b h SER 21 Cb 0.95 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 7i1b h SER 21 CO 1.44 0.00 0.01 -0.83 -0.53 0.00 0.00 176.83 176.92 7i1b s GLY 22 N -3.86 0.88 0.05 5.77 0.00 -0.98 -5.00 107.32 104.18 7i1b s GLY 22 Ca 0.05 -1.10 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 7i1b s GLY 22 CO 0.53 -0.66 1.43 -2.55 0.00 0.00 0.00 173.10 171.86 7i1b h PRO 23 N 2.08 -0.93 -0.82 2.90 0.11 -2.02 -3.18 132.00 130.15 7i1b h PRO 23 Ca -0.29 0.06 -0.49 0.00 0.11 0.00 0.00 66.00 65.40 7i1b h PRO 23 Cb 1.25 0.21 -0.27 0.00 0.11 0.00 0.00 31.00 32.30 7i1b h PRO 23 CO 0.38 -0.62 0.40 0.66 -0.21 0.00 0.00 178.00 178.61 7i1b n TYR 24 N -4.78 2.61 -3.80 0.65 4.01 -1.26 -4.94 117.16 109.65 7i1b n TYR 24 Ca -0.12 -2.17 -0.13 0.00 -0.16 0.00 0.00 57.90 55.32 7i1b n TYR 24 Cb 0.39 -0.93 -0.14 0.00 -0.31 0.00 0.00 39.34 38.36 7i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 7i1b s GLU 25 N -3.47 0.06 0.15 -0.72 2.02 -1.20 -4.54 118.70 111.00 7i1b s GLU 25 Ca 0.56 0.19 0.09 0.00 0.02 0.00 0.00 54.97 55.82 7i1b s GLU 25 Cb 0.46 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 7i1b s GLU 25 CO 0.04 -0.09 -0.19 -0.51 0.02 0.00 0.00 175.26 174.54 7i1b s LEU 26 N 0.57 2.41 0.00 1.80 1.43 -1.26 -2.31 118.68 121.32 7i1b s LEU 26 Ca -0.04 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.21 7i1b s LEU 26 Cb -0.06 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 7i1b s LEU 26 CO -0.02 -0.01 0.03 -0.54 0.23 0.00 0.00 176.35 176.03 7i1b s LYS 27 N -2.61 0.20 -0.33 1.70 1.02 -0.02 -2.49 119.74 117.22 7i1b s LYS 27 Ca 0.14 -0.25 -0.10 0.00 0.02 0.00 0.00 55.97 55.78 7i1b s LYS 27 Cb -0.07 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 7i1b s LYS 27 CO 0.06 -0.04 0.17 0.00 -0.92 0.00 0.00 175.35 174.62 7i1b s ALA 28 N -0.72 3.29 0.35 5.17 0.00 -1.08 -0.05 121.76 128.72 7i1b s ALA 28 Ca -0.08 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 7i1b s ALA 28 Cb -0.05 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.63 7i1b s ALA 28 CO -0.00 -1.02 0.48 -0.48 0.00 0.00 0.00 175.76 174.74 7i1b s LEU 29 N 1.60 1.03 -0.52 0.00 0.05 -1.01 -3.89 118.68 115.94 7i1b s LEU 29 Ca 0.04 -1.51 -0.28 0.00 0.05 0.00 0.00 54.13 52.43 7i1b s LEU 29 Cb -0.18 1.48 0.01 0.00 -2.05 0.00 0.00 46.19 45.46 7i1b s LEU 29 CO 0.07 -1.31 1.39 -1.00 -0.55 0.00 0.00 176.35 174.94 7i1b s HIS 30 N -3.00 2.35 -0.26 3.48 3.76 -1.26 -2.55 115.29 117.81 7i1b s HIS 30 Ca 0.31 0.54 -0.13 0.00 -0.15 0.00 0.00 55.06 55.63 7i1b s HIS 30 Cb -0.01 -4.38 -0.05 0.00 1.11 0.00 0.00 32.58 29.26 7i1b s HIS 30 CO 0.21 -1.92 0.26 -1.17 -0.85 0.00 0.00 174.74 171.27 7i1b s LEU 31 N 5.78 4.06 -0.12 0.89 2.96 -1.26 -5.03 118.68 125.96 7i1b s LEU 31 Ca 0.54 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 54.32 7i1b s LEU 31 Cb -0.11 -2.25 0.07 0.00 0.50 0.00 0.00 46.19 44.40 7i1b s LEU 31 CO 0.27 -0.07 0.70 -1.58 -1.32 0.00 0.00 176.35 174.36 7i1b s GLN 32 N 1.64 0.97 0.09 1.98 2.00 -1.26 -4.94 119.66 120.14 7i1b s GLN 32 Ca 0.11 0.50 0.00 0.00 -2.00 0.00 0.00 55.36 53.96 7i1b s GLN 32 Cb -0.15 0.46 0.00 0.00 0.80 0.00 0.00 33.01 34.12 7i1b s GLN 32 CO 0.09 -0.25 0.00 0.41 -0.50 0.00 0.00 175.29 175.04 7i1b n GLY 33 N 1.48 -2.63 0.17 2.59 0.00 -1.26 -4.24 105.19 101.30 7i1b n GLY 33 Ca -0.17 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 4.20 -2.06 0.36 115.11 119.22 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.69 7i1b n ASP 35 N -2.11 0.00 0.22 1.46 2.03 -1.26 -3.37 116.55 113.52 7i1b n ASP 35 Ca -0.01 -0.54 0.18 0.00 0.52 0.00 0.00 54.79 54.94 7i1b n ASP 35 Cb 0.28 -0.06 0.82 0.00 -0.72 0.00 0.00 41.12 41.45 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 -0.52 0.17 114.93 115.76 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 7i1b h MET 36 Cb 0.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.07 7i1b h MET 36 CO 0.00 0.00 0.00 -0.85 -0.40 0.00 0.00 176.91 175.66 7i1b n GLU 37 N -3.43 0.08 -0.37 0.39 0.28 -1.22 -1.60 120.64 114.77 7i1b n GLU 37 Ca 0.02 0.52 -0.03 0.00 -0.16 0.00 0.00 57.16 57.52 7i1b n GLU 37 Cb 0.43 -1.72 0.11 0.00 1.43 0.00 0.00 31.44 31.68 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 -1.88 1.93 -2.99 3.44 6.02 0.60 -4.81 117.38 119.70 7i1b n GLN 38 Ca -0.00 -1.09 -0.43 0.00 -0.01 0.00 0.00 57.00 55.48 7i1b n GLN 38 Cb 0.05 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.66 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 -1.40 3.45 0.87 -1.09 0.74 -0.63 -4.06 119.66 117.53 7i1b s GLN 39 Ca 0.20 -0.08 -0.10 0.00 0.05 0.00 0.00 55.36 55.42 7i1b s GLN 39 Cb 0.16 -3.92 0.11 0.00 1.10 0.00 0.00 33.01 30.46 7i1b s GLN 39 CO 0.05 -1.05 1.11 0.08 -0.55 0.00 0.00 175.29 174.93 7i1b s VAL 40 N 3.17 2.63 -0.19 1.34 1.01 -1.08 -4.99 120.40 122.30 7i1b s VAL 40 Ca 0.29 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 7i1b s VAL 40 Cb -0.13 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.87 7i1b s VAL 40 CO 0.21 -0.27 0.14 -0.69 0.00 0.00 0.00 175.10 174.49 7i1b s VAL 41 N -2.77 -0.17 0.28 2.92 1.01 -1.26 -4.71 120.40 115.70 7i1b s VAL 41 Ca 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 7i1b s VAL 41 Cb -0.20 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 7i1b s VAL 41 CO 0.57 -0.29 0.49 -0.36 0.00 0.00 0.00 175.10 175.52 7i1b s PHE 42 N 2.20 3.49 -0.43 5.22 0.40 -0.75 -2.68 117.98 125.43 7i1b s PHE 42 Ca 0.04 0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 7i1b s PHE 42 Cb -0.16 -1.92 0.12 0.00 0.51 0.00 0.00 43.02 41.56 7i1b s PHE 42 CO -0.12 0.23 0.23 0.45 0.70 0.00 0.00 175.22 176.71 7i1b s SER 43 N -3.52 5.26 0.59 1.36 0.15 0.16 -1.20 113.70 116.50 7i1b s SER 43 Ca 0.40 -2.11 -0.19 0.00 0.70 0.00 0.00 55.95 54.75 7i1b s SER 43 Cb -0.10 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 7i1b s SER 43 CO 0.32 -0.53 1.21 -0.32 1.20 0.00 0.00 173.24 175.12 7i1b s MET 44 N 1.03 2.99 -0.04 5.44 1.75 0.50 -2.49 119.30 128.48 7i1b s MET 44 Ca 0.09 1.84 -0.02 0.00 -1.25 0.00 0.00 55.69 56.36 7i1b s MET 44 Cb -0.23 -1.95 0.03 0.00 2.84 0.00 0.00 34.83 35.52 7i1b s MET 44 CO -0.04 -1.19 0.05 -1.12 -0.65 0.00 0.00 175.02 172.07 7i1b s SER 45 N -1.56 1.12 -0.43 1.11 0.01 -0.11 -0.56 113.70 113.29 7i1b s SER 45 Ca 0.77 0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.81 7i1b s SER 45 Cb -0.31 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.78 7i1b s SER 45 CO 0.34 -0.24 1.40 -0.36 0.41 0.00 0.00 173.24 174.78 7i1b s PHE 46 N 2.11 2.41 0.57 2.43 0.08 -1.22 -0.82 117.98 123.54 7i1b s PHE 46 Ca 0.04 0.66 0.06 0.00 0.12 0.00 0.00 56.93 57.82 7i1b s PHE 46 Cb -0.12 -4.33 0.06 0.00 -0.57 0.00 0.00 43.02 38.06 7i1b s PHE 46 CO -0.03 -1.94 0.49 0.14 -0.10 0.00 0.00 175.22 173.78 7i1b s VAL 47 N 5.43 1.62 -0.10 -0.44 -7.23 -1.05 -4.59 120.40 114.05 7i1b s VAL 47 Ca 0.60 -1.41 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 7i1b s VAL 47 Cb -0.13 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 7i1b s VAL 47 CO 0.32 0.00 0.07 0.00 -0.31 0.00 0.00 175.10 175.18 7i1b s GLN 48 N -4.38 3.22 -0.05 4.82 -2.07 -0.80 -4.76 119.66 115.63 7i1b s GLN 48 Ca 0.38 -0.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.48 7i1b s GLN 48 Cb -0.03 -2.99 0.06 0.00 -1.09 0.00 0.00 33.01 28.95 7i1b s GLN 48 CO 0.24 0.74 0.77 0.41 -1.32 0.00 0.00 175.29 176.12 7i1b n GLY 49 N 2.07 0.24 3.56 2.60 0.00 -1.26 -4.61 105.19 107.79 7i1b n GLY 49 Ca -0.19 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 7i1b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7i1b s GLU 50 N -2.00 2.49 0.43 1.61 0.41 -1.26 -4.93 118.70 115.45 7i1b s GLU 50 Ca 0.18 -0.23 -0.00 0.00 -0.41 0.00 0.00 54.97 54.51 7i1b s GLU 50 Cb -0.00 -5.04 0.08 0.00 -1.78 0.00 0.00 34.13 27.39 7i1b s GLU 50 CO -0.01 -3.45 0.59 -0.85 -0.49 0.00 0.00 175.26 171.04 7i1b n GLU 51 N 8.85 0.18 0.00 1.61 0.28 -1.26 -4.92 120.64 125.39 7i1b n GLU 51 Ca 0.40 -1.58 0.00 0.00 -0.16 0.00 0.00 57.16 55.83 7i1b n GLU 51 Cb 0.47 -0.39 0.00 0.00 1.43 0.00 0.00 31.44 32.94 7i1b n GLU 51 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 7i1b n SER 52 N -2.95 0.00 -0.09 -1.84 2.88 -1.18 -4.99 113.62 105.45 7i1b n SER 52 Ca 0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 7i1b n SER 52 Cb 0.34 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.00 1.84 -0.58 -3.46 3.02 -1.26 -4.55 115.26 110.26 7i1b n ASN 53 Ca 0.00 0.54 0.06 0.00 -0.03 0.00 0.00 54.58 55.15 7i1b n ASN 53 Cb 0.00 -0.91 0.10 0.00 -0.61 0.00 0.00 39.78 38.37 7i1b n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 7i1b n ASP 54 N -4.53 2.47 -4.52 6.41 5.68 -1.26 -4.92 116.55 115.89 7i1b n ASP 54 Ca -0.19 -1.74 -0.43 0.00 -0.50 0.00 0.00 54.79 51.94 7i1b n ASP 54 Cb 0.45 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 40.24 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 7i1b s LYS 55 N -1.00 3.31 -0.49 0.11 1.02 -1.26 -4.02 119.74 117.40 7i1b s LYS 55 Ca 0.19 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 7i1b s LYS 55 Cb 0.11 -3.92 0.13 0.00 -0.52 0.00 0.00 37.83 33.63 7i1b s LYS 55 CO 0.16 -0.87 0.30 0.42 -0.92 0.00 0.00 175.35 174.44 7i1b s ILE 56 N 2.50 3.46 -0.20 2.17 1.01 -1.07 -3.10 121.20 125.99 7i1b s ILE 56 Ca 0.18 -2.40 -0.28 0.00 0.00 0.00 0.00 60.65 58.15 7i1b s ILE 56 Cb -0.15 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 7i1b s ILE 56 CO 0.16 -0.76 2.05 -2.84 0.00 0.00 0.00 174.94 173.55 7i1b s PRO 57 N 0.69 3.39 0.00 2.79 0.02 -1.26 -2.55 135.00 138.07 7i1b s PRO 57 Ca 0.11 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.13 7i1b s PRO 57 Cb -0.22 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.02 7i1b s PRO 57 CO -0.04 -1.80 0.00 1.33 -0.33 0.00 0.00 177.00 176.16 7i1b n VAL 58 N 7.21 0.00 -3.69 3.83 0.24 -1.03 -2.52 118.33 122.38 7i1b n VAL 58 Ca 0.26 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.42 7i1b n VAL 58 Cb 0.45 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.68 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 -0.43 2.33 0.00 -0.00 -2.09 121.76 119.19 7i1b s ALA 59 Ca 0.00 0.79 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 7i1b s ALA 59 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.35 7i1b s ALA 59 CO 0.00 -0.46 0.52 -0.51 0.00 0.00 0.00 175.76 175.31 7i1b s LEU 60 N 1.96 4.75 -0.10 0.00 1.43 -1.26 -0.93 118.68 124.53 7i1b s LEU 60 Ca -0.02 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 7i1b s LEU 60 Cb -0.12 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.61 7i1b s LEU 60 CO -0.07 -0.67 -0.16 -0.83 0.23 0.00 0.00 176.35 174.85 7i1b s GLY 61 N 1.92 1.03 -0.00 -3.19 0.00 -1.04 -2.61 107.32 103.43 7i1b s GLY 61 Ca 0.16 -0.70 -0.36 0.00 0.00 0.00 0.00 44.72 43.82 7i1b s GLY 61 CO 0.15 0.10 1.61 1.04 0.00 0.00 0.00 173.10 176.01 7i1b n LEU 62 N 3.98 2.64 0.21 0.66 4.77 -0.37 0.39 117.00 129.29 7i1b n LEU 62 Ca -0.20 1.07 -0.15 0.00 -0.03 0.00 0.00 56.01 56.70 7i1b n LEU 62 Cb 0.52 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.24 7i1b n LEU 62 CO 0.25 -0.47 0.67 0.50 -1.33 0.00 0.00 177.39 177.01 7i1b h LYS 63 N 6.55 -0.62 0.42 3.23 3.64 -1.80 -3.22 116.57 124.77 7i1b h LYS 63 Ca -0.47 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 7i1b h LYS 63 Cb 1.29 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 7i1b h LYS 63 CO 0.89 -0.41 -0.20 0.93 -2.27 0.00 0.00 179.45 178.38 7i1b h GLU 64 N -0.64 -0.54 -5.86 1.90 5.08 -1.89 -3.44 114.58 109.19 7i1b h GLU 64 Ca -0.02 0.04 -0.63 0.00 -1.00 0.00 0.00 59.36 57.74 7i1b h GLU 64 Cb 0.57 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 7i1b h GLU 64 CO -0.03 -0.27 -0.43 0.15 -1.00 0.00 0.00 179.01 177.43 7i1b s LYS 65 N -5.33 3.52 0.00 2.33 1.02 -1.22 -4.96 119.74 115.11 7i1b s LYS 65 Ca -0.15 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.66 7i1b s LYS 65 Cb 0.03 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 7i1b s LYS 65 CO 0.58 0.66 1.65 0.27 -0.92 0.00 0.00 175.35 177.59 7i1b n ASN 66 N 1.08 4.45 -4.71 2.83 0.23 -1.26 -3.79 115.26 114.08 7i1b n ASN 66 Ca -0.11 -2.18 -0.38 0.00 -0.53 0.00 0.00 54.58 51.38 7i1b n ASN 66 Cb 0.53 -0.93 -0.06 0.00 -2.08 0.00 0.00 39.78 37.24 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 0.00 4.24 -0.12 -4.53 1.43 -1.26 -2.73 118.68 115.71 7i1b s LEU 67 Ca 0.00 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 7i1b s LEU 67 Cb 0.00 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 7i1b s LEU 67 CO 0.00 -0.02 -0.17 -0.31 0.23 0.00 0.00 176.35 176.08 7i1b s TYR 68 N 0.80 2.72 0.35 0.29 1.51 -0.64 -1.23 117.35 121.15 7i1b s TYR 68 Ca 0.24 -0.86 -0.28 0.00 -1.01 0.00 0.00 57.07 55.16 7i1b s TYR 68 Cb -0.15 -1.80 -0.12 0.00 -0.11 0.00 0.00 41.96 39.78 7i1b s TYR 68 CO 0.09 -0.33 1.45 1.28 -1.11 0.00 0.00 175.55 176.93 7i1b n LEU 69 N 3.61 4.36 -3.82 -1.29 4.77 -1.07 -2.61 117.00 120.95 7i1b n LEU 69 Ca -0.19 1.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.88 7i1b n LEU 69 Cb 0.53 -1.58 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 7i1b n LEU 69 CO 0.29 -0.03 -0.13 -0.94 -1.33 0.00 0.00 177.39 175.26 7i1b s SER 70 N -0.08 -0.12 -0.23 -1.43 1.04 -0.33 -4.46 113.70 108.09 7i1b s SER 70 Ca 0.56 0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 7i1b s SER 70 Cb -0.51 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 7i1b s SER 70 CO 0.61 -0.24 0.26 0.00 0.98 0.00 0.00 173.24 174.85 7i1b s VAL 72 N 1.19 0.13 -0.10 0.00 -7.23 -1.00 -4.75 120.40 108.65 7i1b s VAL 72 Ca 0.12 -1.11 -0.25 0.00 -1.81 0.00 0.00 61.98 58.93 7i1b s VAL 72 Cb -0.14 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 7i1b s VAL 72 CO 0.06 -0.61 0.79 -0.76 -0.31 0.00 0.00 175.10 174.26 7i1b s LEU 73 N -1.83 4.27 -0.82 1.32 1.43 -1.26 -1.46 118.68 120.33 7i1b s LEU 73 Ca -0.10 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 7i1b s LEU 73 Cb -0.05 -3.20 0.20 0.00 0.03 0.00 0.00 46.19 43.16 7i1b s LEU 73 CO -0.03 -0.24 0.67 -0.54 0.23 0.00 0.00 176.35 176.43 7i1b s LYS 74 N 1.35 2.96 0.00 1.70 1.02 0.39 -4.61 119.74 122.56 7i1b s LYS 74 Ca 0.40 -3.30 0.00 0.00 0.02 0.00 0.00 55.97 53.09 7i1b s LYS 74 Cb -0.18 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 7i1b s LYS 74 CO 0.17 -1.27 0.00 -0.25 -0.92 0.00 0.00 175.35 173.08 7i1b n ASP 75 N 2.21 -1.66 -0.40 2.83 8.00 -1.26 -3.56 116.55 122.71 7i1b n ASP 75 Ca 0.21 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.65 7i1b n ASP 75 Cb 0.36 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.47 -5.04 -4.10 -2.24 8.00 -1.26 -4.96 116.55 106.48 7i1b n ASP 76 Ca 0.00 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 55.30 7i1b n ASP 76 Cb 0.42 -2.99 -0.14 0.00 -0.02 0.00 0.00 41.12 38.38 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 -2.07 2.17 0.39 -1.24 2.36 -1.23 -5.07 119.74 115.05 7i1b s LYS 77 Ca 0.00 -1.43 -0.27 0.00 -2.55 0.00 0.00 55.97 51.72 7i1b s LYS 77 Cb 0.00 -3.07 -0.11 0.00 -1.05 0.00 0.00 37.83 33.60 7i1b s LYS 77 CO 0.00 -0.67 1.30 -2.30 1.55 0.00 0.00 175.35 175.23 7i1b n PRO 78 N 4.47 2.09 -3.88 4.03 -0.02 -1.26 -0.46 135.00 139.98 7i1b n PRO 78 Ca -0.10 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 7i1b n PRO 78 Cb 0.42 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.15 0.02 -0.10 3.45 2.01 -0.53 -4.71 115.64 114.63 7i1b s THR 79 Ca 0.58 -1.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 7i1b s THR 79 Cb -0.53 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 7i1b s THR 79 CO 0.60 -0.10 0.03 -0.22 -0.69 0.00 0.00 174.62 174.25 7i1b s LEU 80 N -2.95 3.75 0.07 4.42 2.96 -1.26 -2.38 118.68 123.30 7i1b s LEU 80 Ca 0.16 0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 54.06 7i1b s LEU 80 Cb -0.00 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.86 7i1b s LEU 80 CO 0.03 0.37 0.49 -1.58 -1.32 0.00 0.00 176.35 174.34 7i1b s GLN 81 N -0.83 1.05 -0.30 1.98 0.74 -0.95 -4.81 119.66 116.54 7i1b s GLN 81 Ca 0.13 -0.35 -0.14 0.00 0.05 0.00 0.00 55.36 55.05 7i1b s GLN 81 Cb -0.12 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.44 7i1b s GLN 81 CO 0.03 -0.39 0.34 -0.51 -0.55 0.00 0.00 175.29 174.20 7i1b s LEU 82 N -2.17 4.17 -0.06 3.68 1.43 -1.26 -1.19 118.68 123.28 7i1b s LEU 82 Ca -0.03 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 7i1b s LEU 82 Cb -0.00 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 7i1b s LEU 82 CO -0.04 -0.21 -0.22 -0.70 0.23 0.00 0.00 176.35 175.40 7i1b s GLU 83 N 2.00 2.58 -0.17 1.70 -6.30 -1.07 -4.92 118.70 112.52 7i1b s GLU 83 Ca 0.12 -0.86 -0.29 0.00 -2.50 0.00 0.00 54.97 51.45 7i1b s GLU 83 Cb -0.16 -2.23 -0.01 0.00 0.00 0.00 0.00 34.13 31.73 7i1b s GLU 83 CO 0.11 0.42 1.23 0.45 0.02 0.00 0.00 175.26 177.49 7i1b s SER 84 N -0.24 6.97 0.34 -1.70 0.15 -1.26 -1.62 113.70 116.34 7i1b s SER 84 Ca -0.01 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.30 7i1b s SER 84 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 7i1b s SER 84 CO 0.03 -0.74 0.00 1.33 1.20 0.00 0.00 173.24 175.06 7i1b n VAL 85 N 5.32 0.00 -3.09 4.45 0.24 -1.10 -4.97 118.33 119.17 7i1b n VAL 85 Ca 0.13 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.01 7i1b n VAL 85 Cb 0.45 -1.60 -0.06 0.00 -1.47 0.00 0.00 33.84 31.16 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 6.41 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.51 7i1b s ASP 86 Ca 0.00 0.05 0.03 0.00 -0.52 0.00 0.00 52.55 52.11 7i1b s ASP 86 Cb 0.00 -2.33 0.13 0.00 -1.46 0.00 0.00 42.92 39.25 7i1b s ASP 86 CO 0.00 -0.66 0.93 -2.65 0.52 0.00 0.00 175.17 173.32 7i1b n PRO 87 N 6.15 0.03 -0.09 4.34 -0.02 -1.26 -1.33 135.00 142.82 7i1b n PRO 87 Ca -0.01 0.30 -0.20 0.00 -2.02 0.00 0.00 63.50 61.57 7i1b n PRO 87 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.33 0.67 -0.06 -0.52 5.02 -1.26 -4.69 118.16 115.99 7i1b n LYS 88 Ca 0.01 0.21 -0.05 0.00 -2.02 0.00 0.00 58.31 56.45 7i1b n LYS 88 Cb 0.02 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 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 -0.09 0.00 -3.79 4.39 2.35 -1.78 -3.46 115.58 113.19 7i1b h ASN 89 Ca -0.54 -0.18 -0.48 0.00 -0.55 0.00 0.00 56.30 54.55 7i1b h ASN 89 Cb 1.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.24 7i1b h ASN 89 CO -0.07 0.74 0.15 -0.31 -1.65 0.00 0.00 177.43 176.28 7i1b s TYR 90 N -1.93 3.36 0.57 1.19 1.51 -0.44 -4.07 117.35 117.54 7i1b s TYR 90 Ca -0.10 1.29 -0.15 0.00 -1.01 0.00 0.00 57.07 57.10 7i1b s TYR 90 Cb 0.01 -2.60 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 7i1b s TYR 90 CO 0.21 0.04 1.03 -1.25 -1.11 0.00 0.00 175.55 174.47 7i1b s PRO 91 N -3.06 3.57 0.30 -1.71 0.04 -1.26 -4.49 135.00 128.38 7i1b s PRO 91 Ca 0.56 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 7i1b s PRO 91 Cb -0.10 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.38 7i1b s PRO 91 CO 0.17 -0.59 0.46 0.36 0.04 0.00 0.00 177.00 177.43 7i1b n LYS 92 N -2.00 0.66 -0.01 4.56 2.85 -1.26 -4.13 118.16 118.83 7i1b n LYS 92 Ca 0.07 -2.23 -0.17 0.00 -1.05 0.00 0.00 58.31 54.94 7i1b n LYS 92 Cb 0.53 2.25 -0.11 0.00 -0.65 0.00 0.00 35.03 37.06 7i1b n LYS 92 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 7i1b h LYS 93 N 0.00 0.35 -5.99 -1.58 2.10 -1.93 -3.43 116.57 106.10 7i1b h LYS 93 Ca -0.24 -0.37 -0.61 0.00 -2.00 0.00 0.00 60.65 57.43 7i1b h LYS 93 Cb 1.00 0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.39 7i1b h LYS 93 CO 0.32 1.05 -0.39 0.21 -2.00 0.00 0.00 179.45 178.64 7i1b s LYS 94 N -3.21 3.56 0.01 0.07 2.20 -1.26 -1.91 119.74 119.20 7i1b s LYS 94 Ca -0.14 -0.16 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 7i1b s LYS 94 Cb 0.03 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.36 7i1b s LYS 94 CO 0.80 0.58 0.22 -1.64 -0.36 0.00 0.00 175.35 174.96 7i1b s MET 95 N -2.20 0.62 0.67 4.03 -1.94 -1.26 -5.00 119.30 114.23 7i1b s MET 95 Ca 0.33 -0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 53.75 7i1b s MET 95 Cb -0.13 0.27 0.01 0.00 2.01 0.00 0.00 34.83 36.98 7i1b s MET 95 CO 0.21 -0.17 1.19 -2.00 -0.01 0.00 0.00 175.02 174.24 7i1b s GLU 96 N -1.76 2.54 0.48 2.03 2.56 -1.26 -4.75 118.70 118.54 7i1b s GLU 96 Ca -0.11 1.71 0.20 0.00 0.00 0.00 0.00 54.97 56.77 7i1b s GLU 96 Cb -0.05 -1.89 1.22 0.00 2.00 0.00 0.00 34.13 35.42 7i1b s GLU 96 CO 0.01 -1.51 1.97 0.87 -0.56 0.00 0.00 175.26 176.03 7i1b h LYS 97 N 0.16 0.20 -0.93 4.30 1.79 -1.91 0.80 116.57 120.97 7i1b h LYS 97 Ca -0.48 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.06 7i1b h LYS 97 Cb 1.29 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.83 7i1b h LYS 97 CO 0.52 0.13 0.60 0.00 -1.08 0.00 0.00 179.45 179.62 7i1b h ARG 98 N 0.20 0.96 0.00 3.15 3.08 -1.89 -1.23 114.38 118.66 7i1b h ARG 98 Ca 0.30 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.29 7i1b h ARG 98 Cb 0.89 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.72 7i1b h ARG 98 CO -0.05 0.64 -0.77 1.19 -1.07 0.00 0.00 179.97 179.90 7i1b n PHE 99 N -4.53 0.22 -3.11 3.04 3.72 0.17 -2.68 117.46 114.30 7i1b n PHE 99 Ca 0.15 0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 57.22 7i1b n PHE 99 Cb 0.27 -0.39 -0.05 0.00 -0.94 0.00 0.00 39.48 38.36 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 -3.11 5.04 -0.16 -4.37 1.01 -0.46 -4.40 120.40 113.95 7i1b s VAL 100 Ca 0.07 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.32 7i1b s VAL 100 Cb 0.15 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.58 7i1b s VAL 100 CO 0.76 0.18 -0.18 -0.36 0.00 0.00 0.00 175.10 175.50 7i1b s PHE 101 N 1.37 2.49 -0.57 5.22 0.40 -0.89 -2.22 117.98 123.79 7i1b s PHE 101 Ca 0.32 -1.42 -0.27 0.00 -0.60 0.00 0.00 56.93 54.95 7i1b s PHE 101 Cb -0.16 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.61 7i1b s PHE 101 CO 0.13 -0.72 1.53 -0.80 0.70 0.00 0.00 175.22 176.06 7i1b s ASN 102 N 1.30 5.92 -0.45 1.36 0.01 -0.91 -2.45 114.94 119.71 7i1b s ASN 102 Ca 0.03 0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 52.20 7i1b s ASN 102 Cb -0.13 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.00 7i1b s ASN 102 CO -0.10 -1.87 1.35 -0.75 -1.51 0.00 0.00 177.10 174.21 7i1b s LYS 103 N 5.89 3.56 0.44 -0.60 2.20 -1.06 -2.61 119.74 127.56 7i1b s LYS 103 Ca 0.56 0.77 0.06 0.00 -0.36 0.00 0.00 55.97 57.00 7i1b s LYS 103 Cb -0.12 -4.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.20 7i1b s LYS 103 CO 0.24 -1.59 0.61 0.42 -0.36 0.00 0.00 175.35 174.67 7i1b s ILE 104 N 5.33 3.05 -0.06 5.43 1.01 0.62 -2.58 121.20 134.01 7i1b s ILE 104 Ca 0.57 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.34 7i1b s ILE 104 Cb -0.12 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.31 7i1b s ILE 104 CO 0.31 -0.03 -0.12 -1.61 0.00 0.00 0.00 174.94 173.50 7i1b s GLU 105 N -4.44 1.55 -0.25 2.79 2.02 -1.26 -2.09 118.70 117.02 7i1b s GLU 105 Ca 0.54 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 55.10 7i1b s GLU 105 Cb -0.10 -1.32 0.10 0.00 0.10 0.00 0.00 34.13 32.91 7i1b s GLU 105 CO 0.34 0.06 0.19 0.42 0.02 0.00 0.00 175.26 176.29 7i1b s ILE 106 N 0.54 -0.22 -1.36 -1.63 1.01 -0.12 -4.89 121.20 114.53 7i1b s ILE 106 Ca -0.12 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 7i1b s ILE 106 Cb -0.14 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.52 7i1b s ILE 106 CO 0.03 -0.46 0.95 -3.20 0.00 0.00 0.00 174.94 172.26 7i1b n ASN 107 N 5.29 -3.58 0.00 3.58 4.05 -1.26 -0.67 115.26 122.67 7i1b n ASN 107 Ca -0.05 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.28 7i1b n ASN 107 Cb 0.46 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 37.02 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 7i1b n ASN 108 N -3.00 -0.15 -5.00 1.20 5.15 -1.26 -5.01 115.26 107.19 7i1b n ASN 108 Ca -0.13 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.67 7i1b n ASN 108 Cb 0.61 -0.25 0.01 0.00 -0.53 0.00 0.00 39.78 39.61 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 7i1b s LYS 109 N -0.09 2.88 0.21 1.20 1.02 0.16 -4.95 119.74 120.16 7i1b s LYS 109 Ca 0.00 -1.14 0.11 0.00 0.02 0.00 0.00 55.97 54.96 7i1b s LYS 109 Cb 0.00 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 7i1b s LYS 109 CO 0.00 -0.23 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.49 7i1b s LEU 110 N -4.35 2.60 -0.14 3.17 1.43 -0.02 -0.94 118.68 120.44 7i1b s LEU 110 Ca 0.53 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 7i1b s LEU 110 Cb -0.10 -1.27 0.07 0.00 0.03 0.00 0.00 46.19 44.92 7i1b s LEU 110 CO 0.33 0.09 0.22 -1.61 0.23 0.00 0.00 176.35 175.62 7i1b s GLU 111 N -2.93 0.13 -0.37 1.70 2.02 -0.89 -0.69 118.70 117.67 7i1b s GLU 111 Ca 0.24 0.54 -0.14 0.00 0.02 0.00 0.00 54.97 55.63 7i1b s GLU 111 Cb -0.07 -0.43 -0.00 0.00 0.10 0.00 0.00 34.13 33.72 7i1b s GLU 111 CO 0.12 -0.40 0.29 -0.06 0.02 0.00 0.00 175.26 175.24 7i1b s PHE 112 N 2.36 3.23 -0.13 1.61 0.08 -1.26 -0.27 117.98 123.59 7i1b s PHE 112 Ca 0.03 -0.31 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 7i1b s PHE 112 Cb -0.13 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 7i1b s PHE 112 CO -0.09 -0.46 0.11 -2.00 -0.10 0.00 0.00 175.22 172.68 7i1b s GLU 113 N 1.78 3.55 -0.39 0.44 2.12 -1.07 -2.30 118.70 122.83 7i1b s GLU 113 Ca 0.07 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.91 7i1b s GLU 113 Cb -0.18 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 7i1b s GLU 113 CO 0.11 0.63 1.96 0.45 -0.54 0.00 0.00 175.26 177.86 7i1b s SER 114 N -0.62 5.50 0.59 -1.70 0.15 -0.24 -2.14 113.70 115.24 7i1b s SER 114 Ca 0.12 1.16 0.18 0.00 0.70 0.00 0.00 55.95 58.11 7i1b s SER 114 Cb -0.12 -2.52 0.98 0.00 -1.71 0.00 0.00 66.02 62.65 7i1b s SER 114 CO 0.02 -2.04 1.52 0.00 1.20 0.00 0.00 173.24 173.94 7i1b h ALA 115 N 14.53 1.49 0.00 5.45 0.00 -1.57 0.14 119.26 139.30 7i1b h ALA 115 Ca -0.32 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 7i1b h ALA 115 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 7i1b h ALA 115 CO 1.08 -0.49 -0.64 0.37 0.00 0.00 0.00 179.25 179.56 7i1b h GLN 116 N 0.00 0.00 -3.67 0.00 -0.00 -1.81 -3.43 115.11 106.20 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.96 7i1b h GLN 116 Cb 1.04 0.00 -0.36 0.00 0.00 0.00 0.00 27.48 28.16 7i1b h GLN 116 CO 0.00 0.84 -0.41 -0.06 0.00 0.00 0.00 178.83 179.20 7i1b s PHE 117 N -2.24 3.41 0.70 3.99 0.08 0.03 -5.08 117.98 118.86 7i1b s PHE 117 Ca -0.22 -2.74 -0.17 0.00 0.12 0.00 0.00 56.93 53.93 7i1b s PHE 117 Cb 0.02 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.32 7i1b s PHE 117 CO 0.55 -0.85 1.24 -2.30 -0.10 0.00 0.00 175.22 173.76 7i1b n PRO 118 N 3.56 0.80 -0.10 0.24 -0.02 -1.20 -2.21 135.00 136.07 7i1b n PRO 118 Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 7i1b n PRO 118 Cb 0.38 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 -2.25 0.00 -4.30 2.55 5.03 -1.26 -4.99 115.26 110.04 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 -0.14 0.00 -1.02 0.00 0.00 39.78 39.11 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 -2.85 3.04 0.47 3.10 0.52 -0.94 -4.48 118.94 117.81 7i1b s TRP 120 Ca 0.00 -1.08 0.04 0.00 0.02 0.00 0.00 56.10 55.08 7i1b s TRP 120 Cb 0.00 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 7i1b s TRP 120 CO 0.00 -0.59 0.02 0.71 0.02 0.00 0.00 176.95 177.11 7i1b s TYR 121 N 1.45 2.14 -0.14 -1.98 1.51 -0.98 -1.08 117.35 118.27 7i1b s TYR 121 Ca 0.03 -0.83 -0.29 0.00 -1.01 0.00 0.00 57.07 54.97 7i1b s TYR 121 Cb -0.16 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 7i1b s TYR 121 CO -0.02 0.30 1.20 0.42 -1.11 0.00 0.00 175.55 176.34 7i1b s ILE 122 N -2.80 4.36 0.13 2.71 1.01 -0.97 -1.92 121.20 123.72 7i1b s ILE 122 Ca 0.19 1.65 0.09 0.00 0.00 0.00 0.00 60.65 62.58 7i1b s ILE 122 Cb 0.05 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 7i1b s ILE 122 CO 0.10 -0.10 -0.22 -0.44 0.00 0.00 0.00 174.94 174.28 7i1b s SER 123 N 1.69 2.79 0.19 3.58 0.01 -0.41 -4.52 113.70 117.03 7i1b s SER 123 Ca 0.53 -0.76 0.09 0.00 1.31 0.00 0.00 55.95 57.13 7i1b s SER 123 Cb -0.21 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 7i1b s SER 123 CO 0.15 0.06 -0.19 0.42 0.41 0.00 0.00 173.24 174.10 7i1b s THR 124 N -1.42 1.99 -0.26 1.44 -4.23 -0.95 -2.69 115.64 109.52 7i1b s THR 124 Ca 0.11 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 7i1b s THR 124 Cb -0.09 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 7i1b s THR 124 CO 0.06 -0.35 0.30 -0.55 -0.54 0.00 0.00 174.62 173.54 7i1b s SER 125 N -2.91 6.21 0.55 3.99 0.15 -1.26 -2.70 113.70 117.72 7i1b s SER 125 Ca 0.20 0.23 0.39 0.00 0.70 0.00 0.00 55.95 57.46 7i1b s SER 125 Cb -0.05 -2.18 1.56 0.00 -1.71 0.00 0.00 66.02 63.65 7i1b s SER 125 CO 0.08 -0.10 1.74 -0.61 1.20 0.00 0.00 173.24 175.56 7i1b h GLN 126 N 7.99 0.00 -6.57 5.44 4.15 -1.98 -3.41 115.11 120.73 7i1b h GLN 126 Ca -0.34 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.50 7i1b h GLN 126 Cb 1.17 0.00 0.16 0.00 0.21 0.00 0.00 27.48 29.02 7i1b h GLN 126 CO 0.63 0.00 -0.19 0.00 -1.93 0.00 0.00 178.83 177.34 7i1b n ALA 127 N -2.76 -0.69 -1.77 3.38 0.00 -1.26 -4.90 120.51 112.50 7i1b n ALA 127 Ca 0.28 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 7i1b n ALA 127 Cb 1.39 -1.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.12 4.35 -0.48 0.00 2.02 -1.26 -4.25 118.70 116.97 7i1b s GLU 128 Ca 0.68 1.59 -0.22 0.00 0.02 0.00 0.00 54.97 57.04 7i1b s GLU 128 Cb -0.48 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.00 7i1b s GLU 128 CO 0.54 0.01 0.63 -1.71 0.02 0.00 0.00 175.26 174.75 7i1b n ASN 129 N 0.40 -6.98 -3.81 -0.19 2.85 -1.25 -5.03 115.26 101.24 7i1b n ASN 129 Ca 0.03 0.20 -0.13 0.00 -0.11 0.00 0.00 54.58 54.56 7i1b n ASN 129 Cb 0.48 -3.96 -0.15 0.00 1.24 0.00 0.00 39.78 37.39 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 7i1b s MET 130 N -2.68 0.01 0.53 1.20 -1.94 -1.26 -5.01 119.30 110.15 7i1b s MET 130 Ca 0.27 0.13 -0.22 0.00 -1.71 0.00 0.00 55.69 54.16 7i1b s MET 130 Cb -0.05 -0.11 -0.05 0.00 2.01 0.00 0.00 34.83 36.62 7i1b s MET 130 CO 0.81 -0.09 1.30 -1.25 -0.01 0.00 0.00 175.02 175.79 7i1b s PRO 131 N 0.56 3.25 0.57 2.03 0.04 -1.26 -2.63 135.00 137.55 7i1b s PRO 131 Ca -0.05 2.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 7i1b s PRO 131 Cb -0.06 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 7i1b s PRO 131 CO -0.02 -1.06 1.04 0.08 0.04 0.00 0.00 177.00 177.08 7i1b s VAL 132 N -1.38 4.02 0.34 -0.36 1.01 -1.04 -4.70 120.40 118.29 7i1b s VAL 132 Ca 0.71 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 63.47 7i1b s VAL 132 Cb -0.37 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.58 7i1b s VAL 132 CO 0.44 -0.57 0.82 0.72 0.00 0.00 0.00 175.10 176.51 7i1b s PHE 133 N -2.51 0.07 -0.20 5.22 -0.71 -1.10 -4.85 117.98 113.90 7i1b s PHE 133 Ca 0.62 -0.67 -0.11 0.00 -1.04 0.00 0.00 56.93 55.72 7i1b s PHE 133 Cb -0.14 0.80 -0.05 0.00 -1.21 0.00 0.00 43.02 42.42 7i1b s PHE 133 CO 0.36 -1.43 0.18 -1.17 -1.34 0.00 0.00 175.22 171.82 7i1b s LEU 134 N -3.09 4.20 0.06 -1.99 2.96 -1.26 -1.28 118.68 118.28 7i1b s LEU 134 Ca 0.16 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 7i1b s LEU 134 Cb -0.05 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 7i1b s LEU 134 CO 0.10 0.13 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.29 7i1b s GLY 135 N 0.51 0.85 -0.83 7.98 0.00 -0.81 -4.65 107.32 110.36 7i1b s GLY 135 Ca 0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 7i1b s GLY 135 CO 0.01 -0.94 1.86 0.61 0.00 0.00 0.00 173.10 174.64 7i1b n GLY 136 N 1.55 5.70 2.76 0.20 0.00 -1.26 -2.33 105.19 111.81 7i1b n GLY 136 Ca -0.20 -2.54 -0.30 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 -4.96 1.33 -0.63 2.61 2.01 -1.26 -5.00 115.64 109.74 7i1b s THR 137 Ca 0.49 -2.14 -0.26 0.00 0.31 0.00 0.00 61.69 60.09 7i1b s THR 137 Cb 0.38 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 7i1b s THR 137 CO -0.33 -0.79 2.11 -0.54 -0.69 0.00 0.00 174.62 174.39 7i1b s LYS 138 N 0.84 2.33 7.90 4.92 1.02 -1.26 -4.62 119.74 130.86 7i1b s LYS 138 Ca 0.14 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.88 7i1b s LYS 138 Cb -0.21 -4.59 0.00 0.00 -0.52 0.00 0.00 37.83 32.51 7i1b s LYS 138 CO -0.09 -3.19 0.00 0.41 -0.92 0.00 0.00 175.35 171.56 7i1b n GLY 139 N 6.07 2.45 7.00 -3.33 0.00 -1.26 -4.96 105.19 111.16 7i1b n GLY 139 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 4.07 0.08 -0.02 0.00 -1.26 -2.91 105.19 105.15 7i1b n GLY 140 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 13.74 1.30 -2.22 1.61 0.00 -1.26 -4.98 117.38 125.57 7i1b n GLN 141 Ca 0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 57.00 56.67 7i1b n GLN 141 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 -5.08 5.74 -0.59 1.69 1.11 -1.15 -4.84 116.67 113.55 7i1b s ASP 142 Ca -0.11 2.08 -0.22 0.00 0.18 0.00 0.00 52.55 54.49 7i1b s ASP 142 Cb 0.05 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.54 7i1b s ASP 142 CO 0.62 -1.20 0.84 -0.63 1.18 0.00 0.00 175.17 175.97 7i1b s ILE 143 N -1.94 4.54 -0.12 0.77 1.01 -1.10 -4.56 121.20 119.80 7i1b s ILE 143 Ca 0.70 -0.36 0.19 0.00 0.00 0.00 0.00 60.65 61.18 7i1b s ILE 143 Cb -0.21 -4.54 -0.22 0.00 0.01 0.00 0.00 42.46 37.50 7i1b s ILE 143 CO 0.29 -1.19 0.51 0.35 0.00 0.00 0.00 174.94 174.90 7i1b n THR 144 N 5.85 0.89 -1.43 2.92 -2.24 -1.26 -2.25 114.28 116.77 7i1b n THR 144 Ca -0.04 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.76 7i1b n THR 144 Cb 0.45 -0.43 0.11 0.00 -2.10 0.00 0.00 70.33 68.36 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 -5.32 4.14 0.30 3.42 1.47 -1.26 -4.61 116.67 114.81 7i1b s ASP 145 Ca -0.06 1.38 -0.07 0.00 1.18 0.00 0.00 52.55 54.98 7i1b s ASP 145 Cb 0.09 -2.09 0.03 0.00 -0.34 0.00 0.00 42.92 40.61 7i1b s ASP 145 CO 0.84 -2.20 0.52 0.49 0.68 0.00 0.00 175.17 175.50 7i1b n PHE 146 N -3.59 -1.70 -3.55 2.11 3.01 0.14 -4.30 117.46 109.58 7i1b n PHE 146 Ca 0.07 -1.69 -0.09 0.00 1.01 0.00 0.00 57.45 56.76 7i1b n PHE 146 Cb 0.56 0.60 -0.09 0.00 -0.01 0.00 0.00 39.48 40.54 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 7i1b s THR 147 N -2.50 -0.62 0.22 4.37 -4.23 0.38 -0.84 115.64 112.42 7i1b s THR 147 Ca 0.18 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 7i1b s THR 147 Cb -0.02 -0.70 -0.05 0.00 1.34 0.00 0.00 72.50 73.06 7i1b s THR 147 CO 0.13 0.01 0.47 -0.32 -0.54 0.00 0.00 174.62 174.36 7i1b s MET 148 N 2.58 3.63 -0.19 3.99 1.75 -1.26 -1.46 119.30 128.34 7i1b s MET 148 Ca 0.04 -0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.39 7i1b s MET 148 Cb -0.13 -2.74 0.06 0.00 2.84 0.00 0.00 34.83 34.86 7i1b s MET 148 CO -0.14 0.34 0.06 -0.65 -0.65 0.00 0.00 175.02 173.99 7i1b s GLN 149 N -3.12 0.42 0.84 4.11 -1.52 -0.72 -4.97 119.66 114.70 7i1b s GLN 149 Ca 0.43 -0.32 -0.11 0.00 -1.95 0.00 0.00 55.36 53.41 7i1b s GLN 149 Cb -0.11 -1.97 0.10 0.00 -0.22 0.00 0.00 33.01 30.81 7i1b s GLN 149 CO 0.27 -0.68 1.12 -0.06 -0.25 0.00 0.00 175.29 175.69 7i1b s PHE 150 N 1.96 2.08 0.00 0.91 0.08 -1.26 -1.73 117.98 120.02 7i1b s PHE 150 Ca 0.01 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.74 7i1b s PHE 150 Cb -0.17 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 7i1b s PHE 150 CO -0.10 -2.34 0.00 1.33 -0.10 0.00 0.00 175.22 174.01 7i1b n VAL 151 N -3.83 0.00 -2.02 -0.44 0.24 -1.16 -4.84 118.33 106.28 7i1b n VAL 151 Ca 0.11 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.01 7i1b n VAL 151 Cb 0.52 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.89 7i1b n VAL 151 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 7i1b s SER 152 N -0.43 6.30 0.00 -1.34 1.04 -1.26 -4.86 113.70 113.14 7i1b s SER 152 Ca 0.00 2.70 0.31 0.00 0.48 0.00 0.00 55.95 59.44 7i1b s SER 152 Cb 0.00 -2.64 1.75 0.00 0.10 0.00 0.00 66.02 65.23 7i1b s SER 152 CO 0.00 -0.87 2.14 -0.24 0.98 0.00 0.00 173.24 175.26