#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 0.82 -2.64 0.00 -0.05 -1.26 -4.77 135.00 127.10 7i1b n PRO 2 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 63.50 63.31 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 1.33 -0.05 0.00 0.00 175.50 176.78 7i1b n VAL 3 N 0.48 0.00 -3.51 0.52 0.24 -1.26 -4.96 118.33 109.85 7i1b n VAL 3 Ca 0.00 -1.19 -0.20 0.00 -2.04 0.00 0.00 64.34 60.92 7i1b n VAL 3 Cb 0.37 -0.35 -0.14 0.00 -1.47 0.00 0.00 33.84 32.25 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 7i1b s ARG 4 N -3.31 0.17 0.41 7.34 0.52 -1.26 -5.08 118.95 117.75 7i1b s ARG 4 Ca 0.21 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.53 7i1b s ARG 4 Cb -0.02 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.11 7i1b s ARG 4 CO 0.13 -0.66 0.69 -1.12 0.02 0.00 0.00 175.30 174.36 7i1b s SER 5 N 2.30 6.33 -0.11 0.23 0.01 -1.26 -2.75 113.70 118.44 7i1b s SER 5 Ca 0.06 0.80 -0.04 0.00 1.31 0.00 0.00 55.95 58.08 7i1b s SER 5 Cb -0.16 -2.19 0.06 0.00 0.21 0.00 0.00 66.02 63.94 7i1b s SER 5 CO -0.12 -0.43 0.21 -0.22 0.41 0.00 0.00 173.24 173.09 7i1b s LEU 6 N -4.35 -0.18 0.16 2.44 1.98 0.35 -4.96 118.68 114.12 7i1b s LEU 6 Ca 0.45 0.46 -0.30 0.00 -2.89 0.00 0.00 54.13 51.86 7i1b s LEU 6 Cb -0.10 0.48 -0.07 0.00 0.66 0.00 0.00 46.19 47.16 7i1b s LEU 6 CO 0.39 -0.24 1.14 0.20 -1.89 0.00 0.00 176.35 175.94 7i1b s ASN 7 N 2.35 7.19 -0.16 3.68 0.01 -1.26 0.69 114.94 127.44 7i1b s ASN 7 Ca 0.02 2.11 -0.30 0.00 -0.71 0.00 0.00 52.86 53.98 7i1b s ASN 7 Cb -0.12 -2.60 0.13 0.00 0.41 0.00 0.00 41.25 39.07 7i1b s ASN 7 CO -0.07 -0.30 1.03 0.00 -1.51 0.00 0.00 177.10 176.25 7i1b n THR 9 N 0.56 0.00 -3.88 0.00 -2.24 -0.96 -1.51 114.28 106.25 7i1b n THR 9 Ca -0.09 -1.07 -0.16 0.00 -2.27 0.00 0.00 64.05 60.46 7i1b n THR 9 Cb 0.58 -0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 7i1b n THR 9 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 7i1b s LEU 10 N 0.00 1.17 0.02 3.22 1.43 -1.26 -2.55 118.68 120.71 7i1b s LEU 10 Ca 0.36 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 7i1b s LEU 10 Cb -0.03 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 7i1b s LEU 10 CO 0.23 -0.11 -0.18 -0.13 0.23 0.00 0.00 176.35 176.39 7i1b s ARG 11 N 1.00 1.33 0.85 1.70 0.52 -0.05 -3.40 118.95 120.91 7i1b s ARG 11 Ca -0.09 -0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.22 7i1b s ARG 11 Cb -0.13 -1.36 0.12 0.00 0.52 0.00 0.00 34.95 34.10 7i1b s ARG 11 CO -0.02 0.36 1.22 0.16 0.02 0.00 0.00 175.30 177.03 7i1b s ASP 12 N -0.83 4.08 0.00 0.23 -4.77 -0.72 -0.18 116.67 114.49 7i1b s ASP 12 Ca 0.06 0.60 0.00 0.00 -3.30 0.00 0.00 52.55 49.91 7i1b s ASP 12 Cb -0.08 -0.96 0.00 0.00 -1.09 0.00 0.00 42.92 40.79 7i1b s ASP 12 CO 0.01 -2.15 0.84 -1.54 0.70 0.00 0.00 175.17 173.02 7i1b n SER 13 N -3.44 2.37 0.00 2.11 3.41 -1.26 -2.14 113.62 114.68 7i1b n SER 13 Ca 0.10 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 7i1b n SER 13 Cb 0.60 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.03 0.00 -0.82 4.33 -0.06 -1.26 -4.99 117.38 115.61 7i1b n GLN 14 Ca 0.00 -0.23 0.00 0.00 -2.00 0.00 0.00 57.00 54.77 7i1b n GLN 14 Cb 0.31 -0.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.99 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 -0.00 0.00 -2.21 3.69 7.27 -0.91 -5.04 117.38 120.18 7i1b n GLN 15 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 7i1b n GLN 15 Cb 0.36 -2.25 0.02 0.00 2.41 0.00 0.00 30.24 30.78 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 -0.18 3.32 0.39 3.69 1.02 -1.26 -4.78 119.74 121.95 7i1b s LYS 16 Ca 0.00 0.38 0.06 0.00 0.02 0.00 0.00 55.97 56.43 7i1b s LYS 16 Cb 0.00 -2.20 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 7i1b s LYS 16 CO 0.00 -0.56 0.02 -1.12 -0.92 0.00 0.00 175.35 172.77 7i1b s SER 17 N -4.21 3.52 -0.05 2.83 0.01 -1.05 -1.75 113.70 113.00 7i1b s SER 17 Ca 0.53 -1.39 -0.03 0.00 1.31 0.00 0.00 55.95 56.36 7i1b s SER 17 Cb -0.11 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 7i1b s SER 17 CO 0.49 -0.52 0.12 -0.76 0.41 0.00 0.00 173.24 172.99 7i1b s LEU 18 N -3.66 4.16 0.02 2.44 1.43 -1.22 -2.43 118.68 119.42 7i1b s LEU 18 Ca 0.34 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 7i1b s LEU 18 Cb 0.09 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 7i1b s LEU 18 CO 0.17 0.32 -0.07 0.68 0.23 0.00 0.00 176.35 177.68 7i1b s VAL 19 N -1.15 0.54 -0.92 -1.59 -7.23 0.45 -2.75 120.40 107.75 7i1b s VAL 19 Ca 0.21 -0.66 -0.23 0.00 -1.81 0.00 0.00 61.98 59.48 7i1b s VAL 19 Cb -0.12 -0.53 0.06 0.00 0.56 0.00 0.00 36.38 36.35 7i1b s VAL 19 CO 0.11 -0.10 1.33 -0.32 -0.31 0.00 0.00 175.10 175.81 7i1b s MET 20 N -0.83 3.47 0.28 4.82 1.75 -1.26 -0.01 119.30 127.51 7i1b s MET 20 Ca -0.03 -1.00 0.25 0.00 -1.25 0.00 0.00 55.69 53.66 7i1b s MET 20 Cb -0.06 -4.95 0.62 0.00 2.84 0.00 0.00 34.83 33.28 7i1b s MET 20 CO 0.00 -2.10 1.68 1.03 -0.65 0.00 0.00 175.02 174.98 7i1b h SER 21 N 9.69 0.00 -5.40 1.11 0.87 -1.86 -3.47 113.55 114.49 7i1b h SER 21 Ca 0.05 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.41 7i1b h SER 21 Cb 1.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.91 7i1b h SER 21 CO 1.33 0.01 -0.15 -0.83 -0.53 0.00 0.00 176.83 176.65 7i1b s GLY 22 N -3.80 1.13 0.05 5.77 0.00 -1.08 -5.00 107.32 104.39 7i1b s GLY 22 Ca 0.09 -1.29 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 7i1b s GLY 22 CO 0.63 -0.86 1.31 -2.55 0.00 0.00 0.00 173.10 171.64 7i1b h PRO 23 N 2.16 -0.55 -0.71 2.90 0.11 -2.02 -3.10 132.00 130.80 7i1b h PRO 23 Ca -0.28 0.04 -0.39 0.00 0.11 0.00 0.00 66.00 65.48 7i1b h PRO 23 Cb 1.24 0.13 -0.23 0.00 0.11 0.00 0.00 31.00 32.25 7i1b h PRO 23 CO 0.39 -0.37 0.29 0.66 -0.21 0.00 0.00 178.00 178.76 7i1b n TYR 24 N -4.10 2.21 -4.25 0.65 4.01 -1.26 -4.96 117.16 109.46 7i1b n TYR 24 Ca -0.07 -1.87 -0.17 0.00 -0.16 0.00 0.00 57.90 55.63 7i1b n TYR 24 Cb 0.26 -0.77 -0.13 0.00 -0.31 0.00 0.00 39.34 38.39 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 -3.34 0.73 0.11 -0.72 8.01 -1.17 -4.33 118.70 117.98 7i1b s GLU 25 Ca 0.52 -0.61 0.05 0.00 0.01 0.00 0.00 54.97 54.94 7i1b s GLU 25 Cb 0.45 -0.67 -0.04 0.00 -4.31 0.00 0.00 34.13 29.56 7i1b s GLU 25 CO 0.05 0.16 -0.13 -0.51 0.01 0.00 0.00 175.26 174.84 7i1b s LEU 26 N -0.96 2.38 -0.01 1.80 1.43 -1.26 -2.65 118.68 119.41 7i1b s LEU 26 Ca -0.01 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 7i1b s LEU 26 Cb -0.07 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.69 7i1b s LEU 26 CO 0.01 -0.17 -0.02 -0.54 0.23 0.00 0.00 176.35 175.86 7i1b s LYS 27 N -2.54 0.26 -0.21 1.70 1.02 0.99 -2.01 119.74 118.94 7i1b s LYS 27 Ca 0.06 -0.05 -0.07 0.00 0.02 0.00 0.00 55.97 55.93 7i1b s LYS 27 Cb -0.05 -0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 7i1b s LYS 27 CO 0.02 0.00 0.06 0.00 -0.92 0.00 0.00 175.35 174.51 7i1b s ALA 28 N 0.26 3.25 0.37 5.17 0.00 -1.08 -0.42 121.76 129.31 7i1b s ALA 28 Ca -0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 7i1b s ALA 28 Cb -0.05 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.15 7i1b s ALA 28 CO -0.01 -0.12 0.64 1.47 0.00 0.00 0.00 175.76 177.74 7i1b n LEU 29 N 4.17 0.00 -4.55 0.00 -0.00 -1.02 -3.77 117.00 111.83 7i1b n LEU 29 Ca -0.16 -2.63 -0.38 0.00 -0.00 0.00 0.00 56.01 52.83 7i1b n LEU 29 Cb 0.52 3.17 -0.03 0.00 -0.00 0.00 0.00 43.42 47.08 7i1b n LEU 29 CO 0.33 -0.75 1.40 -1.00 -0.00 0.00 0.00 177.39 177.38 7i1b s HIS 30 N -2.66 2.00 -0.40 1.47 3.76 -1.26 -2.52 115.29 115.68 7i1b s HIS 30 Ca 0.21 0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 55.24 7i1b s HIS 30 Cb -0.03 -4.35 0.01 0.00 1.11 0.00 0.00 32.58 29.33 7i1b s HIS 30 CO 0.15 -2.11 0.36 -1.17 -0.85 0.00 0.00 174.74 171.12 7i1b s LEU 31 N 7.55 4.87 -0.10 0.89 2.96 -1.26 -5.00 118.68 128.59 7i1b s LEU 31 Ca 0.54 -0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 7i1b s LEU 31 Cb -0.09 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.36 7i1b s LEU 31 CO 0.12 -0.47 0.32 -1.58 -1.32 0.00 0.00 176.35 173.43 7i1b s GLN 32 N 1.92 0.45 0.50 1.98 -0.44 -1.26 -4.85 119.66 117.97 7i1b s GLN 32 Ca 0.09 0.30 0.00 0.00 -2.50 0.00 0.00 55.36 53.25 7i1b s GLN 32 Cb -0.18 0.21 0.00 0.00 -1.64 0.00 0.00 33.01 31.41 7i1b s GLN 32 CO 0.12 -0.08 0.00 0.41 0.50 0.00 0.00 175.29 176.24 7i1b n GLY 33 N 2.51 -1.80 0.48 2.59 0.00 -1.26 -4.19 105.19 103.53 7i1b n GLY 33 Ca -0.15 -1.82 0.30 0.00 0.00 0.00 0.00 46.02 44.35 7i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 7i1b h GLN 34 N 0.00 0.08 0.00 1.61 3.07 -2.05 0.51 115.11 118.33 7i1b h GLN 34 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 7i1b h GLN 34 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.54 7i1b h GLN 34 CO 0.00 0.05 0.00 -3.47 0.09 0.00 0.00 178.83 175.50 7i1b n ASP 35 N -4.30 0.00 0.22 0.06 -0.08 -1.26 -1.93 116.55 109.26 7i1b n ASP 35 Ca 0.23 0.08 0.06 0.00 -1.51 0.00 0.00 54.79 53.64 7i1b n ASP 35 Cb 1.06 -0.08 0.49 0.00 2.34 0.00 0.00 41.12 44.93 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 4.05 -0.22 -2.04 114.93 116.05 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 7i1b h MET 36 CO 0.00 0.25 0.14 1.49 0.23 0.00 0.00 176.91 179.01 7i1b h GLU 37 N 0.00 0.00 -0.95 0.39 4.81 -1.63 0.70 114.58 117.90 7i1b h GLU 37 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 7i1b h GLU 37 Cb 0.47 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.74 7i1b h GLU 37 CO 0.03 0.00 0.22 1.04 -0.73 0.00 0.00 179.01 179.58 7i1b n GLN 38 N -2.62 1.87 -3.13 1.92 6.02 -0.77 -4.83 117.38 115.84 7i1b n GLN 38 Ca -0.02 -1.38 -0.41 0.00 -0.01 0.00 0.00 57.00 55.18 7i1b n GLN 38 Cb 0.18 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 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 -1.57 3.79 0.86 -1.09 0.74 0.24 -4.53 119.66 118.09 7i1b s GLN 39 Ca 0.26 0.16 -0.12 0.00 0.05 0.00 0.00 55.36 55.71 7i1b s GLN 39 Cb 0.21 -3.76 0.11 0.00 1.10 0.00 0.00 33.01 30.66 7i1b s GLN 39 CO 0.06 -0.64 1.12 0.08 -0.55 0.00 0.00 175.29 175.36 7i1b s VAL 40 N 2.62 2.53 -0.11 1.34 1.01 -1.11 -5.05 120.40 121.63 7i1b s VAL 40 Ca 0.24 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 7i1b s VAL 40 Cb -0.15 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.38 7i1b s VAL 40 CO 0.13 -0.22 0.19 -0.69 0.00 0.00 0.00 175.10 174.51 7i1b s VAL 41 N -3.21 -0.30 0.25 2.92 1.01 -1.26 -4.69 120.40 115.12 7i1b s VAL 41 Ca 0.62 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.90 7i1b s VAL 41 Cb -0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 7i1b s VAL 41 CO 0.54 0.09 0.40 -0.36 0.00 0.00 0.00 175.10 175.77 7i1b s PHE 42 N 2.33 3.47 -0.52 5.22 0.40 -0.57 -3.36 117.98 124.95 7i1b s PHE 42 Ca 0.03 0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.40 7i1b s PHE 42 Cb -0.13 -1.70 0.13 0.00 0.51 0.00 0.00 43.02 41.83 7i1b s PHE 42 CO -0.07 0.37 0.40 0.45 0.70 0.00 0.00 175.22 177.06 7i1b s SER 43 N -3.78 5.78 0.21 1.36 0.15 0.11 -1.25 113.70 116.29 7i1b s SER 43 Ca 0.36 -2.04 -0.31 0.00 0.70 0.00 0.00 55.95 54.67 7i1b s SER 43 Cb -0.10 -2.03 -0.10 0.00 -1.71 0.00 0.00 66.02 62.08 7i1b s SER 43 CO 0.31 -0.67 1.49 -0.32 1.20 0.00 0.00 173.24 175.24 7i1b s MET 44 N 1.18 4.24 -0.15 5.44 1.75 0.22 -2.63 119.30 129.36 7i1b s MET 44 Ca 0.07 2.32 0.00 0.00 -1.25 0.00 0.00 55.69 56.84 7i1b s MET 44 Cb -0.25 -3.13 0.03 0.00 2.84 0.00 0.00 34.83 34.32 7i1b s MET 44 CO -0.01 -0.50 -0.12 -1.12 -0.65 0.00 0.00 175.02 172.62 7i1b s SER 45 N 0.69 2.63 -0.43 1.11 0.01 -0.59 0.13 113.70 117.26 7i1b s SER 45 Ca 0.64 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 7i1b s SER 45 Cb -0.42 -1.08 0.01 0.00 0.21 0.00 0.00 66.02 64.74 7i1b s SER 45 CO 0.38 -0.09 1.37 -0.36 0.41 0.00 0.00 173.24 174.95 7i1b s PHE 46 N 1.55 2.46 0.00 2.43 0.40 -1.11 -0.68 117.98 123.03 7i1b s PHE 46 Ca 0.04 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 7i1b s PHE 46 Cb -0.13 -4.34 0.00 0.00 0.51 0.00 0.00 43.02 39.05 7i1b s PHE 46 CO -0.10 -1.87 0.00 1.33 0.70 0.00 0.00 175.22 175.29 7i1b n VAL 47 N 7.04 0.00 -3.71 -0.44 0.24 -1.07 -4.40 118.33 115.98 7i1b n VAL 47 Ca 0.16 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.14 7i1b n VAL 47 Cb 0.48 -0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 32.47 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 7i1b s GLN 48 N -0.06 3.59 0.00 7.34 0.74 -0.11 -4.75 119.66 126.41 7i1b s GLN 48 Ca 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.26 7i1b s GLN 48 Cb 0.00 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.23 7i1b s GLN 48 CO 0.00 0.49 0.00 0.41 -0.55 0.00 0.00 175.29 175.64 7i1b n GLY 49 N 0.09 -0.56 3.49 2.59 0.00 -1.26 -4.62 105.19 104.92 7i1b n GLY 49 Ca -0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 0.16 -1.98 1.61 -0.58 -1.26 -4.83 120.64 113.76 7i1b n GLU 50 Ca 0.00 -1.25 -0.43 0.00 -0.42 0.00 0.00 57.16 55.06 7i1b n GLU 50 Cb 0.00 -3.39 -0.03 0.00 -0.57 0.00 0.00 31.44 27.46 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 7i1b s GLU 51 N 8.09 3.41 0.13 3.49 2.02 -1.26 -4.61 118.70 129.97 7i1b s GLU 51 Ca 0.75 1.53 0.01 0.00 0.02 0.00 0.00 54.97 57.28 7i1b s GLU 51 Cb -0.09 -4.18 -0.00 0.00 0.10 0.00 0.00 34.13 29.95 7i1b s GLU 51 CO 0.16 -1.77 0.15 0.45 0.02 0.00 0.00 175.26 174.27 7i1b n SER 52 N 10.04 -0.40 0.02 -0.19 2.88 -1.17 -5.02 113.62 119.77 7i1b n SER 52 Ca 0.23 -1.80 0.12 0.00 -1.33 0.00 0.00 58.87 56.08 7i1b n SER 52 Cb 0.46 0.82 0.21 0.00 -0.75 0.00 0.00 64.21 64.95 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 -2.22 0.56 0.00 -3.46 2.85 -1.26 -4.32 115.26 107.41 7i1b n ASN 53 Ca 0.02 -0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 7i1b n ASN 53 Cb 0.23 0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.54 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 7i1b n ASP 54 N -1.67 4.70 -4.53 1.20 9.92 -1.26 -4.98 116.55 119.93 7i1b n ASP 54 Ca 0.05 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.89 7i1b n ASP 54 Cb 0.37 0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 41.14 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 7i1b s LYS 55 N -1.98 3.47 -0.45 -1.24 1.02 -1.26 -4.11 119.74 115.19 7i1b s LYS 55 Ca 0.00 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 7i1b s LYS 55 Cb 0.00 -3.84 0.12 0.00 -0.52 0.00 0.00 37.83 33.59 7i1b s LYS 55 CO 0.00 -0.59 0.23 0.42 -0.92 0.00 0.00 175.35 174.50 7i1b s ILE 56 N 2.04 3.18 0.06 2.17 1.01 -1.03 -3.07 121.20 125.56 7i1b s ILE 56 Ca 0.12 -2.36 -0.31 0.00 0.00 0.00 0.00 60.65 58.10 7i1b s ILE 56 Cb -0.17 -3.18 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 7i1b s ILE 56 CO 0.12 -0.72 1.63 -2.16 0.00 0.00 0.00 174.94 173.80 7i1b s PRO 57 N 0.77 4.21 0.03 2.79 0.05 -1.26 -1.57 135.00 140.02 7i1b s PRO 57 Ca 0.11 2.29 0.00 0.00 0.05 0.00 0.00 61.00 63.46 7i1b s PRO 57 Cb -0.22 -3.59 -0.00 0.00 0.05 0.00 0.00 34.50 30.74 7i1b s PRO 57 CO -0.04 -0.72 0.02 1.33 0.05 0.00 0.00 177.00 177.63 7i1b n VAL 58 N 4.71 0.00 -3.58 -0.36 0.24 -0.86 -2.60 118.33 115.88 7i1b n VAL 58 Ca 0.16 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 62.11 7i1b n VAL 58 Cb 0.41 0.08 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.09 -0.34 -0.52 2.33 0.00 0.15 -1.93 121.76 119.35 7i1b s ALA 59 Ca 0.02 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 7i1b s ALA 59 Cb 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 23.12 22.05 7i1b s ALA 59 CO 0.02 -0.88 0.93 -0.51 0.00 0.00 0.00 175.76 175.32 7i1b s LEU 60 N 2.35 4.08 -0.12 0.00 1.43 -1.26 -1.53 118.68 123.62 7i1b s LEU 60 Ca 0.04 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 7i1b s LEU 60 Cb -0.14 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.17 7i1b s LEU 60 CO -0.10 -1.17 -0.15 -0.83 0.23 0.00 0.00 176.35 174.34 7i1b s GLY 61 N 2.67 1.05 0.01 -3.19 0.00 -1.08 -2.59 107.32 104.18 7i1b s GLY 61 Ca 0.32 -0.76 -0.37 0.00 0.00 0.00 0.00 44.72 43.91 7i1b s GLY 61 CO 0.21 0.32 1.46 1.04 0.00 0.00 0.00 173.10 176.13 7i1b n LEU 62 N 4.36 1.98 0.29 0.66 4.77 -1.02 0.05 117.00 128.09 7i1b n LEU 62 Ca -0.18 1.10 -0.17 0.00 -0.03 0.00 0.00 56.01 56.73 7i1b n LEU 62 Cb 0.51 -1.21 -0.08 0.00 -2.33 0.00 0.00 43.42 40.31 7i1b n LEU 62 CO 0.23 -0.82 0.65 0.50 -1.33 0.00 0.00 177.39 176.61 7i1b h LYS 63 N 5.37 -0.76 0.05 3.23 3.64 -1.85 -3.26 116.57 122.99 7i1b h LYS 63 Ca -0.47 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 7i1b h LYS 63 Cb 1.32 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 7i1b h LYS 63 CO 0.83 -0.51 -0.03 0.93 -2.27 0.00 0.00 179.45 178.40 7i1b h GLU 64 N -0.79 -0.07 -6.40 1.90 4.39 -1.89 -3.45 114.58 108.27 7i1b h GLU 64 Ca -0.05 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.12 7i1b h GLU 64 Cb 0.66 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 7i1b h GLU 64 CO 0.04 0.38 -0.18 0.15 -1.16 0.00 0.00 179.01 178.24 7i1b s LYS 65 N -4.28 3.64 -0.26 2.33 1.02 -1.23 -4.97 119.74 116.00 7i1b s LYS 65 Ca -0.15 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.84 7i1b s LYS 65 Cb 0.02 -2.70 0.33 0.00 -0.52 0.00 0.00 37.83 34.96 7i1b s LYS 65 CO 0.64 0.29 1.58 0.27 -0.92 0.00 0.00 175.35 177.21 7i1b n ASN 66 N -0.63 3.98 -4.61 2.83 0.23 -1.26 -3.90 115.26 111.89 7i1b n ASN 66 Ca -0.02 -2.89 -0.40 0.00 -0.53 0.00 0.00 54.58 50.74 7i1b n ASN 66 Cb 0.53 -0.75 -0.08 0.00 -2.08 0.00 0.00 39.78 37.41 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 7i1b s LEU 67 N -1.77 4.08 -0.12 -4.53 1.43 -1.26 -2.63 118.68 113.88 7i1b s LEU 67 Ca 0.30 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 7i1b s LEU 67 Cb 0.25 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 7i1b s LEU 67 CO 0.05 -0.31 -0.02 -0.31 0.23 0.00 0.00 176.35 175.98 7i1b s TYR 68 N 2.33 3.07 0.60 0.29 1.51 -0.78 -2.43 117.35 121.94 7i1b s TYR 68 Ca 0.21 -0.07 -0.19 0.00 -1.01 0.00 0.00 57.07 56.02 7i1b s TYR 68 Cb -0.16 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 7i1b s TYR 68 CO 0.10 0.19 1.04 1.28 -1.11 0.00 0.00 175.55 177.05 7i1b n LEU 69 N 2.91 4.12 -3.75 -1.29 4.32 -1.07 -2.49 117.00 119.75 7i1b n LEU 69 Ca -0.18 0.83 -0.13 0.00 -0.02 0.00 0.00 56.01 56.52 7i1b n LEU 69 Cb 0.53 -1.43 -0.11 0.00 -1.62 0.00 0.00 43.42 40.80 7i1b n LEU 69 CO 0.31 -1.61 0.02 -0.94 -1.22 0.00 0.00 177.39 173.94 7i1b s SER 70 N -1.21 -0.37 -0.27 -1.43 1.04 0.13 -4.61 113.70 106.98 7i1b s SER 70 Ca 0.76 0.71 -0.13 0.00 0.48 0.00 0.00 55.95 57.76 7i1b s SER 70 Cb -0.42 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 7i1b s SER 70 CO 0.47 -0.12 0.30 0.00 0.98 0.00 0.00 173.24 174.87 7i1b s VAL 72 N 1.90 0.31 0.07 0.00 -7.23 -1.00 -4.82 120.40 109.63 7i1b s VAL 72 Ca 0.12 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 7i1b s VAL 72 Cb -0.16 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 7i1b s VAL 72 CO 0.10 -0.84 0.87 -0.76 -0.31 0.00 0.00 175.10 174.16 7i1b s LEU 73 N -2.58 4.46 -0.64 1.32 1.43 -1.26 -1.22 118.68 120.19 7i1b s LEU 73 Ca 0.02 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.78 7i1b s LEU 73 Cb 0.03 -3.41 0.17 0.00 0.03 0.00 0.00 46.19 43.00 7i1b s LEU 73 CO -0.07 -0.04 0.44 -0.54 0.23 0.00 0.00 176.35 176.37 7i1b s LYS 74 N 0.06 2.13 0.00 1.70 1.02 0.53 -4.72 119.74 120.47 7i1b s LYS 74 Ca 0.43 -3.05 0.00 0.00 0.02 0.00 0.00 55.97 53.37 7i1b s LYS 74 Cb -0.22 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 7i1b s LYS 74 CO 0.26 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 173.16 7i1b n ASP 75 N 2.25 -1.56 -0.48 2.83 8.00 -1.26 -3.65 116.55 122.67 7i1b n ASP 75 Ca 0.20 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.64 7i1b n ASP 75 Cb 0.37 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.44 -5.33 -4.03 -2.24 9.92 -1.26 -4.95 116.55 108.22 7i1b n ASP 76 Ca 0.00 0.16 -0.31 0.00 -0.53 0.00 0.00 54.79 54.10 7i1b n ASP 76 Cb 0.39 -3.38 -0.16 0.00 -0.64 0.00 0.00 41.12 37.33 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 7i1b s LYS 77 N -2.31 2.22 0.49 -1.24 2.20 -1.24 -5.08 119.74 114.77 7i1b s LYS 77 Ca 0.00 -0.99 -0.22 0.00 -0.36 0.00 0.00 55.97 54.40 7i1b s LYS 77 Cb 0.00 -2.59 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 7i1b s LYS 77 CO 0.00 -0.44 1.02 -2.30 -0.36 0.00 0.00 175.35 173.26 7i1b n PRO 78 N 4.60 1.24 -3.86 4.03 -0.02 -1.26 -0.34 135.00 139.39 7i1b n PRO 78 Ca -0.15 0.46 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 7i1b n PRO 78 Cb 0.46 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.37 0.01 -0.12 3.45 2.01 -0.36 -4.73 115.64 114.53 7i1b s THR 79 Ca 0.68 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 7i1b s THR 79 Cb -0.49 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 7i1b s THR 79 CO 0.53 -0.06 0.06 -0.22 -0.69 0.00 0.00 174.62 174.25 7i1b s LEU 80 N -2.93 3.91 0.03 4.42 2.96 -1.26 -2.38 118.68 123.42 7i1b s LEU 80 Ca 0.14 0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 54.08 7i1b s LEU 80 Cb -0.02 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.79 7i1b s LEU 80 CO 0.03 0.35 0.50 -1.58 -1.32 0.00 0.00 176.35 174.34 7i1b s GLN 81 N -0.69 0.99 -0.13 1.98 0.74 -0.64 -4.82 119.66 117.09 7i1b s GLN 81 Ca 0.12 -0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.25 7i1b s GLN 81 Cb -0.12 0.45 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 7i1b s GLN 81 CO 0.02 -0.34 0.18 -0.51 -0.55 0.00 0.00 175.29 174.09 7i1b s LEU 82 N -1.82 4.36 -0.01 3.68 1.43 -1.26 0.18 118.68 125.23 7i1b s LEU 82 Ca -0.07 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 7i1b s LEU 82 Cb -0.01 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 7i1b s LEU 82 CO 0.00 0.34 -0.02 -0.70 0.23 0.00 0.00 176.35 176.20 7i1b s GLU 83 N -0.68 0.25 -0.29 1.70 2.56 -1.04 -4.94 118.70 116.26 7i1b s GLU 83 Ca 0.15 -0.06 -0.29 0.00 0.00 0.00 0.00 54.97 54.76 7i1b s GLU 83 Cb -0.12 -0.29 -0.01 0.00 2.00 0.00 0.00 34.13 35.71 7i1b s GLU 83 CO 0.04 0.02 1.43 -1.54 -0.56 0.00 0.00 175.26 174.64 7i1b s SER 84 N 0.19 6.51 0.26 -1.70 1.04 -1.26 -1.87 113.70 116.86 7i1b s SER 84 Ca -0.02 1.28 0.03 0.00 0.48 0.00 0.00 55.95 57.73 7i1b s SER 84 Cb -0.04 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 7i1b s SER 84 CO -0.00 -1.20 0.40 0.68 0.98 0.00 0.00 173.24 174.09 7i1b s VAL 85 N 4.85 5.22 -0.39 5.02 -7.23 -1.08 -4.98 120.40 121.82 7i1b s VAL 85 Ca 0.62 -0.80 -0.36 0.00 -1.81 0.00 0.00 61.98 59.63 7i1b s VAL 85 Cb -0.19 -3.84 -0.13 0.00 0.56 0.00 0.00 36.38 32.78 7i1b s VAL 85 CO 0.27 -0.36 2.20 -0.67 -0.31 0.00 0.00 175.10 176.23 7i1b n ASP 86 N -1.38 1.85 0.00 4.85 -0.08 -1.26 -4.73 116.55 115.80 7i1b n ASP 86 Ca -0.08 0.44 0.03 0.00 -1.51 0.00 0.00 54.79 53.67 7i1b n ASP 86 Cb 0.56 -1.20 0.18 0.00 2.34 0.00 0.00 41.12 43.00 7i1b n ASP 86 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 7i1b n PRO 87 N 8.10 0.15 -0.10 -0.67 -0.02 -1.26 -1.78 135.00 139.41 7i1b n PRO 87 Ca 0.44 0.11 -0.14 0.00 -2.02 0.00 0.00 63.50 61.89 7i1b n PRO 87 Cb 0.18 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.14 0.69 0.06 -0.52 5.02 -1.26 -4.55 118.16 116.46 7i1b n LYS 88 Ca 0.04 0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.40 7i1b n LYS 88 Cb 0.04 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.00 0.00 -3.25 4.39 4.21 -1.83 -3.46 115.58 115.64 7i1b h ASN 89 Ca -0.49 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.38 7i1b h ASN 89 Cb 1.83 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.92 7i1b h ASN 89 CO -0.06 0.74 -0.63 -0.31 -1.29 0.00 0.00 177.43 175.89 7i1b s TYR 90 N -2.82 3.11 0.52 1.19 2.02 -0.74 -3.85 117.35 116.79 7i1b s TYR 90 Ca 0.00 0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.56 7i1b s TYR 90 Cb 0.09 -1.60 -0.07 0.00 -0.40 0.00 0.00 41.96 39.98 7i1b s TYR 90 CO 0.80 0.50 1.04 -1.25 -1.57 0.00 0.00 175.55 175.07 7i1b s PRO 91 N -2.28 3.65 0.10 -1.71 0.04 -1.26 -4.70 135.00 128.83 7i1b s PRO 91 Ca 0.27 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.63 7i1b s PRO 91 Cb -0.12 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 7i1b s PRO 91 CO 0.20 -0.55 -0.10 0.21 0.04 0.00 0.00 177.00 176.79 7i1b s LYS 92 N -3.59 0.87 0.20 4.56 2.20 -1.25 -4.34 119.74 118.38 7i1b s LYS 92 Ca 0.65 -1.18 -0.11 0.00 -0.36 0.00 0.00 55.97 54.98 7i1b s LYS 92 Cb -0.16 -0.56 0.21 0.00 -1.51 0.00 0.00 37.83 35.81 7i1b s LYS 92 CO 0.27 0.09 1.77 -0.22 -0.36 0.00 0.00 175.35 176.90 7i1b h LYS 93 N 3.52 0.48 -6.05 4.03 3.64 -1.92 -3.41 116.57 116.86 7i1b h LYS 93 Ca -0.37 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.33 7i1b h LYS 93 Cb 1.19 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 7i1b h LYS 93 CO 0.53 0.32 -0.57 0.21 -2.27 0.00 0.00 179.45 177.66 7i1b s LYS 94 N -6.11 3.06 -0.04 1.90 2.20 -1.26 -0.93 119.74 118.56 7i1b s LYS 94 Ca -0.13 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 54.84 7i1b s LYS 94 Cb 0.15 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.65 7i1b s LYS 94 CO 0.74 0.62 0.23 -1.64 -0.36 0.00 0.00 175.35 174.94 7i1b s MET 95 N -2.05 0.48 0.74 4.03 -1.94 -1.26 -4.96 119.30 114.34 7i1b s MET 95 Ca 0.27 -0.07 -0.15 0.00 -1.71 0.00 0.00 55.69 54.02 7i1b s MET 95 Cb -0.12 0.21 0.03 0.00 2.01 0.00 0.00 34.83 36.96 7i1b s MET 95 CO 0.18 -0.11 1.12 0.39 -0.01 0.00 0.00 175.02 176.59 7i1b n GLU 96 N 1.92 0.51 0.13 2.03 -0.58 -1.26 -4.70 120.64 118.69 7i1b n GLU 96 Ca -0.19 0.24 0.18 0.00 -0.42 0.00 0.00 57.16 56.97 7i1b n GLU 96 Cb 0.57 -2.37 0.76 0.00 -0.57 0.00 0.00 31.44 29.83 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 7i1b h LYS 97 N -0.34 0.00 -0.49 3.49 1.79 -1.91 -0.48 116.57 118.63 7i1b h LYS 97 Ca -0.48 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 7i1b h LYS 97 Cb 1.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 7i1b h LYS 97 CO 0.48 0.00 0.25 0.07 -1.08 0.00 0.00 179.45 179.16 7i1b h ARG 98 N 0.00 0.68 -0.00 3.15 0.11 -1.88 -2.18 114.38 114.27 7i1b h ARG 98 Ca 0.14 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.15 7i1b h ARG 98 Cb 0.68 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.63 7i1b h ARG 98 CO -0.00 0.53 -0.68 1.19 0.10 0.00 0.00 179.97 181.10 7i1b n PHE 99 N -4.39 0.00 -3.15 4.08 3.72 -0.24 -2.70 117.46 114.78 7i1b n PHE 99 Ca 0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.05 7i1b n PHE 99 Cb 0.12 -0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.87 4.94 -0.18 -4.37 1.01 -0.82 -4.44 120.40 113.66 7i1b s VAL 100 Ca 0.12 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.42 7i1b s VAL 100 Cb 0.17 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.63 7i1b s VAL 100 CO 0.73 0.37 -0.07 -0.36 0.00 0.00 0.00 175.10 175.77 7i1b s PHE 101 N 0.10 2.02 -0.61 5.22 0.40 -0.81 -2.18 117.98 122.11 7i1b s PHE 101 Ca 0.33 -1.32 -0.27 0.00 -0.60 0.00 0.00 56.93 55.07 7i1b s PHE 101 Cb -0.18 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 7i1b s PHE 101 CO 0.18 -0.68 1.69 -0.80 0.70 0.00 0.00 175.22 176.31 7i1b s ASN 102 N 1.53 5.58 -0.49 1.36 0.02 -0.93 -2.03 114.94 119.97 7i1b s ASN 102 Ca -0.00 0.23 -0.28 0.00 -1.02 0.00 0.00 52.86 51.79 7i1b s ASN 102 Cb -0.16 -2.54 0.01 0.00 0.02 0.00 0.00 41.25 38.59 7i1b s ASN 102 CO -0.08 -2.15 1.38 -0.75 0.02 0.00 0.00 177.10 175.52 7i1b s LYS 103 N 6.52 3.46 0.17 -0.60 2.20 -0.61 -2.57 119.74 128.31 7i1b s LYS 103 Ca 0.60 0.65 0.05 0.00 -0.36 0.00 0.00 55.97 56.91 7i1b s LYS 103 Cb -0.12 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 7i1b s LYS 103 CO 0.21 -1.73 0.14 0.42 -0.36 0.00 0.00 175.35 174.03 7i1b s ILE 104 N 5.62 4.47 -0.21 5.43 1.01 0.13 -2.46 121.20 135.20 7i1b s ILE 104 Ca 0.55 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 7i1b s ILE 104 Cb -0.11 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 7i1b s ILE 104 CO 0.29 -0.13 -0.04 -1.61 0.00 0.00 0.00 174.94 173.45 7i1b s GLU 105 N -3.16 3.44 -0.21 2.79 8.01 -1.26 -0.43 118.70 127.88 7i1b s GLU 105 Ca 0.31 -0.60 -0.03 0.00 0.01 0.00 0.00 54.97 54.66 7i1b s GLU 105 Cb -0.10 -3.00 0.07 0.00 -4.31 0.00 0.00 34.13 26.79 7i1b s GLU 105 CO 0.23 -0.11 0.05 0.42 0.01 0.00 0.00 175.26 175.86 7i1b s ILE 106 N 1.28 0.50 -1.15 -1.63 1.01 0.77 -4.84 121.20 117.14 7i1b s ILE 106 Ca 0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 7i1b s ILE 106 Cb -0.14 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.26 7i1b s ILE 106 CO -0.01 -0.29 0.98 -3.20 0.00 0.00 0.00 174.94 172.42 7i1b n ASN 107 N 5.05 -4.03 -0.65 3.58 5.15 -1.26 -1.76 115.26 121.33 7i1b n ASN 107 Ca -0.08 -0.52 -0.09 0.00 -0.60 0.00 0.00 54.58 53.30 7i1b n ASN 107 Cb 0.46 -4.60 -0.04 0.00 -0.53 0.00 0.00 39.78 35.08 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 7i1b n ASN 108 N -2.72 -4.69 -4.44 1.20 4.05 -1.26 -4.98 115.26 102.42 7i1b n ASN 108 Ca -0.12 0.21 -0.27 0.00 0.45 0.00 0.00 54.58 54.85 7i1b n ASN 108 Cb 0.60 -2.94 -0.11 0.00 1.23 0.00 0.00 39.78 38.56 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 7i1b s LYS 109 N -2.46 1.56 0.09 1.20 3.01 -0.72 -5.02 119.74 117.41 7i1b s LYS 109 Ca 0.00 -1.52 -0.00 0.00 -1.01 0.00 0.00 55.97 53.44 7i1b s LYS 109 Cb 0.00 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.92 7i1b s LYS 109 CO 0.00 0.40 0.26 -0.51 0.51 0.00 0.00 175.35 176.01 7i1b s LEU 110 N -2.72 4.33 -0.09 3.17 1.43 0.46 -0.17 118.68 125.09 7i1b s LEU 110 Ca 0.21 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 7i1b s LEU 110 Cb -0.08 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.16 7i1b s LEU 110 CO 0.10 0.12 0.07 -0.70 0.23 0.00 0.00 176.35 176.17 7i1b s GLU 111 N -2.69 0.00 -0.49 1.70 2.12 0.43 0.29 118.70 120.07 7i1b s GLU 111 Ca 0.36 0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.70 7i1b s GLU 111 Cb -0.12 -1.05 0.07 0.00 0.26 0.00 0.00 34.13 33.28 7i1b s GLU 111 CO 0.28 -0.46 0.50 -0.06 -0.54 0.00 0.00 175.26 174.97 7i1b s PHE 112 N 2.15 3.15 -0.08 5.30 0.08 -1.26 -0.69 117.98 126.63 7i1b s PHE 112 Ca 0.04 -0.74 -0.18 0.00 0.12 0.00 0.00 56.93 56.16 7i1b s PHE 112 Cb -0.14 -3.34 -0.05 0.00 -0.57 0.00 0.00 43.02 38.93 7i1b s PHE 112 CO -0.05 -0.90 0.49 -2.00 -0.10 0.00 0.00 175.22 172.65 7i1b s GLU 113 N 2.10 4.28 -0.49 0.44 2.12 -1.06 -2.22 118.70 123.86 7i1b s GLU 113 Ca 0.09 0.49 -0.27 0.00 0.36 0.00 0.00 54.97 55.64 7i1b s GLU 113 Cb -0.22 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 7i1b s GLU 113 CO 0.09 0.27 2.04 0.45 -0.54 0.00 0.00 175.26 177.56 7i1b s SER 114 N 0.25 5.15 0.61 -1.70 0.15 -0.05 -2.19 113.70 115.93 7i1b s SER 114 Ca 0.26 0.85 0.13 0.00 0.70 0.00 0.00 55.95 57.90 7i1b s SER 114 Cb -0.16 -2.52 0.72 0.00 -1.71 0.00 0.00 66.02 62.35 7i1b s SER 114 CO 0.12 -2.37 1.37 0.00 1.20 0.00 0.00 173.24 173.56 7i1b h ALA 115 N 15.95 1.62 0.17 5.45 0.00 -1.56 0.48 119.26 141.38 7i1b h ALA 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 7i1b h ALA 115 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 7i1b h ALA 115 CO 1.15 -0.62 -0.08 0.37 0.00 0.00 0.00 179.25 180.07 7i1b h GLN 116 N 0.00 -0.22 -4.07 0.00 5.75 -1.78 -3.42 115.11 111.36 7i1b h GLN 116 Ca 0.00 0.02 -0.71 0.00 -0.15 0.00 0.00 58.65 57.81 7i1b h GLN 116 Cb 1.30 0.05 -0.33 0.00 1.07 0.00 0.00 27.48 29.57 7i1b h GLN 116 CO 0.00 -0.14 -0.41 -0.06 -2.65 0.00 0.00 178.83 175.57 7i1b s PHE 117 N -2.31 3.50 0.68 3.99 0.08 0.16 -5.05 117.98 119.03 7i1b s PHE 117 Ca -0.04 -2.39 -0.17 0.00 0.12 0.00 0.00 56.93 54.46 7i1b s PHE 117 Cb 0.00 -3.31 0.01 0.00 -0.57 0.00 0.00 43.02 39.15 7i1b s PHE 117 CO 0.11 -0.93 1.25 -2.30 -0.10 0.00 0.00 175.22 173.24 7i1b n PRO 118 N 4.21 0.89 -0.05 0.24 -0.02 -1.22 -2.26 135.00 136.80 7i1b n PRO 118 Ca 0.01 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 7i1b n PRO 118 Cb 0.40 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 -2.12 0.00 -4.29 2.55 3.02 -1.26 -4.99 115.26 108.17 7i1b n ASN 119 Ca 0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.35 7i1b n ASN 119 Cb 0.49 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 7i1b s TRP 120 N -2.78 3.04 0.52 3.10 0.52 -0.96 -4.52 118.94 117.87 7i1b s TRP 120 Ca 0.00 -1.13 0.02 0.00 0.02 0.00 0.00 56.10 55.01 7i1b s TRP 120 Cb 0.00 -2.13 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 7i1b s TRP 120 CO 0.00 -0.61 0.09 0.71 0.02 0.00 0.00 176.95 177.17 7i1b s TYR 121 N 1.44 1.79 -0.12 -1.98 1.51 -0.88 -0.87 117.35 118.24 7i1b s TYR 121 Ca 0.03 -0.94 -0.28 0.00 -1.01 0.00 0.00 57.07 54.88 7i1b s TYR 121 Cb -0.16 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 7i1b s TYR 121 CO -0.02 0.06 0.93 0.42 -1.11 0.00 0.00 175.55 175.83 7i1b s ILE 122 N -2.86 4.83 0.17 2.71 1.01 -0.94 -1.64 121.20 124.48 7i1b s ILE 122 Ca 0.11 1.87 0.05 0.00 0.00 0.00 0.00 60.65 62.68 7i1b s ILE 122 Cb 0.01 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 7i1b s ILE 122 CO 0.07 0.03 -0.11 -0.44 0.00 0.00 0.00 174.94 174.49 7i1b s SER 123 N 1.10 2.01 0.16 3.58 0.01 -0.46 -4.44 113.70 115.65 7i1b s SER 123 Ca 0.44 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.74 7i1b s SER 123 Cb -0.18 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 7i1b s SER 123 CO 0.16 -0.30 -0.13 0.42 0.41 0.00 0.00 173.24 173.81 7i1b s THR 124 N -3.23 1.41 -0.24 1.44 -4.23 -0.81 -2.65 115.64 107.33 7i1b s THR 124 Ca 0.19 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.50 7i1b s THR 124 Cb 0.02 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 7i1b s THR 124 CO 0.03 -0.59 0.59 -0.55 -0.54 0.00 0.00 174.62 173.55 7i1b s SER 125 N -2.98 6.55 0.54 3.99 0.15 -1.26 -2.75 113.70 117.94 7i1b s SER 125 Ca 0.16 0.67 0.38 0.00 0.70 0.00 0.00 55.95 57.86 7i1b s SER 125 Cb -0.01 -2.32 1.56 0.00 -1.71 0.00 0.00 66.02 63.55 7i1b s SER 125 CO 0.03 -0.31 1.79 -0.61 1.20 0.00 0.00 173.24 175.34 7i1b h GLN 126 N 7.82 0.00 -6.45 5.44 4.15 -1.98 -3.41 115.11 120.69 7i1b h GLN 126 Ca -0.29 -0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.64 7i1b h GLN 126 Cb 1.13 -0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.06 7i1b h GLN 126 CO 0.75 0.00 -1.47 0.00 -1.93 0.00 0.00 178.83 176.18 7i1b n ALA 127 N -2.78 -4.41 -2.44 3.38 0.00 -1.26 -4.91 120.51 108.09 7i1b n ALA 127 Ca 0.27 -1.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.23 7i1b n ALA 127 Cb 1.30 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.96 4.20 -0.43 0.00 8.01 -1.26 -4.56 118.70 121.71 7i1b s GLU 128 Ca 0.49 0.64 -0.22 0.00 0.01 0.00 0.00 54.97 55.89 7i1b s GLU 128 Cb -0.09 -3.29 0.03 0.00 -4.31 0.00 0.00 34.13 26.47 7i1b s GLU 128 CO 0.69 0.51 0.60 0.09 0.01 0.00 0.00 175.26 177.15 7i1b n ASN 129 N 2.28 -7.22 -3.94 -0.19 4.13 -1.25 -5.04 115.26 104.04 7i1b n ASN 129 Ca -0.10 0.35 -0.10 0.00 1.68 0.00 0.00 54.58 56.42 7i1b n ASN 129 Cb 0.51 -4.24 -0.12 0.00 -1.54 0.00 0.00 39.78 34.39 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 7i1b s MET 130 N -2.52 0.21 0.72 3.52 -1.94 -1.25 -5.00 119.30 113.04 7i1b s MET 130 Ca 0.28 -0.38 -0.15 0.00 -1.71 0.00 0.00 55.69 53.73 7i1b s MET 130 Cb -0.06 0.08 0.03 0.00 2.01 0.00 0.00 34.83 36.89 7i1b s MET 130 CO 0.79 -0.04 1.19 -1.25 -0.01 0.00 0.00 175.02 175.70 7i1b s PRO 131 N -0.94 2.24 0.40 2.03 0.04 -1.26 -2.63 135.00 134.88 7i1b s PRO 131 Ca -0.10 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 7i1b s PRO 131 Cb -0.06 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 7i1b s PRO 131 CO -0.01 -1.74 0.76 0.08 0.04 0.00 0.00 177.00 176.14 7i1b s VAL 132 N -2.07 4.79 0.39 -0.36 1.01 -0.85 -4.60 120.40 118.70 7i1b s VAL 132 Ca 0.73 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 7i1b s VAL 132 Cb -0.27 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.44 7i1b s VAL 132 CO 0.45 -0.50 0.78 0.72 0.00 0.00 0.00 175.10 176.56 7i1b s PHE 133 N -2.34 0.14 -0.21 5.22 -0.71 -1.08 -4.85 117.98 114.15 7i1b s PHE 133 Ca 0.51 -0.81 -0.10 0.00 -1.04 0.00 0.00 56.93 55.49 7i1b s PHE 133 Cb -0.10 0.82 -0.05 0.00 -1.21 0.00 0.00 43.02 42.48 7i1b s PHE 133 CO 0.31 -1.57 0.12 -1.17 -1.34 0.00 0.00 175.22 171.57 7i1b s LEU 134 N -3.07 4.08 0.06 -1.99 2.96 -1.26 -1.36 118.68 118.10 7i1b s LEU 134 Ca 0.16 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 7i1b s LEU 134 Cb -0.05 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 7i1b s LEU 134 CO 0.12 0.14 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.30 7i1b s GLY 135 N 0.61 0.89 -0.75 7.98 0.00 -0.65 -4.66 107.32 110.73 7i1b s GLY 135 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.84 7i1b s GLY 135 CO 0.01 -0.95 1.71 0.61 0.00 0.00 0.00 173.10 174.48 7i1b n GLY 136 N 1.56 5.73 2.63 0.20 0.00 -1.26 -2.07 105.19 111.98 7i1b n GLY 136 Ca -0.19 -2.58 -0.29 0.00 0.00 0.00 0.00 46.02 42.95 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 -5.06 0.48 -0.10 2.61 2.01 -1.26 -4.99 115.64 109.33 7i1b s THR 137 Ca 0.49 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 7i1b s THR 137 Cb 0.39 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 71.47 7i1b s THR 137 CO -0.31 -0.75 1.82 -0.75 -0.69 0.00 0.00 174.62 173.95 7i1b s LYS 138 N 1.64 3.90 7.92 4.92 2.20 -1.26 -4.64 119.74 134.42 7i1b s LYS 138 Ca 0.11 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 7i1b s LYS 138 Cb -0.18 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 7i1b s LYS 138 CO -0.25 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 173.96 7i1b n GLY 139 N 4.65 4.37 7.00 5.54 0.00 -1.26 -4.86 105.19 120.63 7i1b n GLY 139 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 3.97 0.00 -0.02 0.00 -1.26 -1.80 105.19 106.08 7i1b n GLY 140 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.30 7i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 141 N 12.81 0.90 -3.59 1.61 0.00 -1.26 -4.94 117.38 122.91 7i1b n GLN 141 Ca 0.00 -0.09 -0.37 0.00 -0.00 0.00 0.00 57.00 56.53 7i1b n GLN 141 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 30.24 28.81 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -3.42 6.62 -0.66 1.69 1.11 -0.74 -4.67 116.67 116.59 7i1b s ASP 142 Ca -0.01 0.73 -0.23 0.00 0.18 0.00 0.00 52.55 53.22 7i1b s ASP 142 Cb 0.12 -2.19 0.06 0.00 1.07 0.00 0.00 42.92 41.97 7i1b s ASP 142 CO 0.71 0.27 1.01 -0.63 1.18 0.00 0.00 175.17 177.71 7i1b s ILE 143 N -0.60 4.24 -0.13 0.77 1.01 -1.11 -4.06 121.20 121.32 7i1b s ILE 143 Ca 0.20 -0.16 0.18 0.00 0.00 0.00 0.00 60.65 60.88 7i1b s ILE 143 Cb -0.15 -4.70 -0.19 0.00 0.01 0.00 0.00 42.46 37.43 7i1b s ILE 143 CO 0.09 -1.47 0.60 0.35 0.00 0.00 0.00 174.94 174.50 7i1b n THR 144 N 6.03 0.97 -0.98 2.92 -2.24 -1.26 -1.92 114.28 117.80 7i1b n THR 144 Ca -0.02 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 7i1b n THR 144 Cb 0.46 -0.51 0.16 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 -5.45 2.94 0.26 3.42 1.47 -1.26 -4.57 116.67 113.48 7i1b s ASP 145 Ca -0.05 1.66 -0.07 0.00 1.18 0.00 0.00 52.55 55.27 7i1b s ASP 145 Cb 0.09 -2.30 0.03 0.00 -0.34 0.00 0.00 42.92 40.40 7i1b s ASP 145 CO 0.83 -3.00 0.47 0.49 0.68 0.00 0.00 175.17 174.64 7i1b n PHE 146 N -4.13 -1.65 -3.58 2.11 3.72 0.15 -4.27 117.46 109.81 7i1b n PHE 146 Ca 0.07 -1.41 -0.07 0.00 -0.05 0.00 0.00 57.45 55.99 7i1b n PHE 146 Cb 0.54 0.54 -0.08 0.00 -0.94 0.00 0.00 39.48 39.55 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 -2.50 -0.72 0.31 4.37 -4.23 0.74 -0.41 115.64 113.21 7i1b s THR 147 Ca 0.14 0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.67 7i1b s THR 147 Cb -0.02 -0.76 -0.06 0.00 1.34 0.00 0.00 72.50 73.00 7i1b s THR 147 CO 0.11 0.03 0.62 -0.32 -0.54 0.00 0.00 174.62 174.51 7i1b s MET 148 N 2.66 3.74 -0.18 3.99 1.75 -1.26 -0.87 119.30 129.12 7i1b s MET 148 Ca 0.01 0.24 -0.01 0.00 -1.25 0.00 0.00 55.69 54.68 7i1b s MET 148 Cb -0.13 -2.56 0.05 0.00 2.84 0.00 0.00 34.83 35.03 7i1b s MET 148 CO -0.15 0.17 -0.02 -0.65 -0.65 0.00 0.00 175.02 173.72 7i1b s GLN 149 N -3.42 1.13 -0.03 4.11 -1.52 -1.05 -4.95 119.66 113.93 7i1b s GLN 149 Ca 0.47 -0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 53.05 7i1b s GLN 149 Cb -0.11 -2.10 -0.06 0.00 -0.22 0.00 0.00 33.01 30.53 7i1b s GLN 149 CO 0.27 -0.53 1.60 -0.06 -0.25 0.00 0.00 175.29 176.32 7i1b s PHE 150 N 1.69 2.22 0.07 0.91 0.40 -1.26 -2.26 117.98 119.74 7i1b s PHE 150 Ca -0.01 0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 7i1b s PHE 150 Cb -0.16 -3.87 0.01 0.00 0.51 0.00 0.00 43.02 39.51 7i1b s PHE 150 CO -0.07 -3.54 0.09 1.33 0.70 0.00 0.00 175.22 173.73 7i1b n VAL 151 N 5.23 0.00 -2.08 -0.44 0.24 -1.07 -4.99 118.33 115.22 7i1b n VAL 151 Ca 0.16 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.85 7i1b n VAL 151 Cb 0.43 -1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 31.70 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 -1.40 6.74 0.00 -1.34 0.01 -1.26 -4.92 113.70 111.52 7i1b s SER 152 Ca 0.07 2.58 0.31 0.00 1.31 0.00 0.00 55.95 60.21 7i1b s SER 152 Cb -0.00 -2.62 1.67 0.00 0.21 0.00 0.00 66.02 65.28 7i1b s SER 152 CO 0.04 -0.64 2.10 -1.20 0.41 0.00 0.00 173.24 173.95