#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 0.65 -1.48 0.00 -0.04 -1.26 -4.72 135.00 128.14 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7i1b n VAL 3 N 1.40 0.00 -3.67 0.52 0.31 -1.26 -4.98 118.33 110.65 7i1b n VAL 3 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 7i1b n VAL 3 Cb 0.32 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.15 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 -1.22 0.30 0.90 5.55 0.52 -1.26 -5.10 118.95 118.64 7i1b s ARG 4 Ca 0.00 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 56.05 7i1b s ARG 4 Cb 0.00 0.21 0.19 0.00 0.52 0.00 0.00 34.95 35.88 7i1b s ARG 4 CO 0.00 -0.24 1.23 -1.12 0.02 0.00 0.00 175.30 175.19 7i1b s SER 5 N 2.38 3.36 -0.30 0.23 0.01 -1.26 -3.50 113.70 114.61 7i1b s SER 5 Ca -0.02 -0.06 -0.06 0.00 1.31 0.00 0.00 55.95 57.12 7i1b s SER 5 Cb -0.11 -0.02 0.17 0.00 0.21 0.00 0.00 66.02 66.27 7i1b s SER 5 CO -0.12 -2.55 0.69 -0.22 0.41 0.00 0.00 173.24 171.45 7i1b s LEU 6 N -5.67 -1.17 0.09 2.44 2.96 0.27 -4.92 118.68 112.69 7i1b s LEU 6 Ca 0.73 0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 55.33 7i1b s LEU 6 Cb -0.03 2.09 -0.06 0.00 0.50 0.00 0.00 46.19 48.68 7i1b s LEU 6 CO 0.51 -0.22 1.17 0.20 -1.32 0.00 0.00 176.35 176.69 7i1b s ASN 7 N 2.85 7.13 -0.21 3.68 0.01 -1.26 0.52 114.94 127.66 7i1b s ASN 7 Ca 0.10 2.04 -0.27 0.00 -0.71 0.00 0.00 52.86 54.01 7i1b s ASN 7 Cb -0.13 -2.59 0.10 0.00 0.41 0.00 0.00 41.25 39.04 7i1b s ASN 7 CO -0.19 -0.41 0.88 0.00 -1.51 0.00 0.00 177.10 175.87 7i1b s THR 9 N -0.31 2.23 0.01 0.00 -4.23 -0.91 -2.10 115.64 110.33 7i1b s THR 9 Ca -0.01 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 7i1b s THR 9 Cb -0.03 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 7i1b s THR 9 CO 0.00 0.00 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.28 7i1b s LEU 10 N -4.97 2.07 0.00 4.79 1.43 -1.26 -2.30 118.68 118.44 7i1b s LEU 10 Ca 0.64 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 7i1b s LEU 10 Cb -0.06 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.01 7i1b s LEU 10 CO 0.42 -0.04 -0.04 -0.13 0.23 0.00 0.00 176.35 176.80 7i1b s ARG 11 N -0.47 0.32 0.52 1.70 0.52 -0.11 -3.62 118.95 117.81 7i1b s ARG 11 Ca -0.02 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 54.86 7i1b s ARG 11 Cb -0.04 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 7i1b s ARG 11 CO -0.00 0.06 0.88 0.16 0.02 0.00 0.00 175.30 176.43 7i1b s ASP 12 N -0.37 6.30 0.21 0.23 -4.77 -0.60 -0.89 116.67 116.79 7i1b s ASP 12 Ca -0.01 1.17 0.05 0.00 -3.30 0.00 0.00 52.55 50.46 7i1b s ASP 12 Cb -0.03 -2.35 0.29 0.00 -1.09 0.00 0.00 42.92 39.74 7i1b s ASP 12 CO -0.00 -0.66 0.95 -1.54 0.70 0.00 0.00 175.17 174.62 7i1b n SER 13 N -2.28 0.14 -1.60 2.11 3.41 -1.26 0.15 113.62 114.28 7i1b n SER 13 Ca 0.03 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 7i1b n SER 13 Cb 0.54 -0.27 0.33 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.68 4.05 -0.73 4.33 -0.06 -1.26 -4.88 117.38 117.16 7i1b n GLN 14 Ca -0.00 -2.54 0.00 0.00 -2.00 0.00 0.00 57.00 52.46 7i1b n GLN 14 Cb 0.42 -2.08 0.00 0.00 -4.06 0.00 0.00 30.24 24.52 7i1b n GLN 14 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 7i1b n GLN 15 N 0.57 -0.78 -1.48 3.69 3.00 0.38 -4.94 117.38 117.82 7i1b n GLN 15 Ca 0.22 0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 57.10 7i1b n GLN 15 Cb 0.99 -4.57 0.07 0.00 0.00 0.00 0.00 30.24 26.73 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 7i1b s LYS 16 N -1.32 2.46 0.37 -1.09 1.02 -1.24 -4.77 119.74 115.17 7i1b s LYS 16 Ca 0.00 0.90 0.09 0.00 0.02 0.00 0.00 55.97 56.98 7i1b s LYS 16 Cb 0.00 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 7i1b s LYS 16 CO 0.00 -1.42 -0.06 -1.12 -0.92 0.00 0.00 175.35 171.83 7i1b s SER 17 N -3.72 3.77 -0.17 2.83 0.01 -0.73 -1.55 113.70 114.14 7i1b s SER 17 Ca 0.60 -1.26 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 7i1b s SER 17 Cb -0.15 -0.36 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 7i1b s SER 17 CO 0.55 -0.30 0.12 -0.76 0.41 0.00 0.00 173.24 173.27 7i1b s LEU 18 N -3.64 4.22 0.04 2.44 1.43 -1.24 -2.23 118.68 119.70 7i1b s LEU 18 Ca 0.33 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 7i1b s LEU 18 Cb 0.05 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 7i1b s LEU 18 CO 0.17 0.26 -0.14 0.68 0.23 0.00 0.00 176.35 177.55 7i1b s VAL 19 N -0.13 1.09 -0.45 -1.59 -7.23 0.63 -2.69 120.40 110.03 7i1b s VAL 19 Ca 0.10 -1.01 -0.26 0.00 -1.81 0.00 0.00 61.98 59.00 7i1b s VAL 19 Cb -0.11 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.86 7i1b s VAL 19 CO 0.00 -0.01 0.96 0.00 -0.31 0.00 0.00 175.10 175.74 7i1b s MET 20 N -1.17 3.60 -0.03 4.82 0.23 -1.26 -0.05 119.30 125.43 7i1b s MET 20 Ca 0.01 0.27 -0.02 0.00 -1.03 0.00 0.00 55.69 54.92 7i1b s MET 20 Cb -0.08 -3.91 -0.01 0.00 -1.53 0.00 0.00 34.83 29.30 7i1b s MET 20 CO 0.01 -1.22 -0.04 0.45 -2.03 0.00 0.00 175.02 172.19 7i1b n SER 21 N 7.23 0.42 -4.16 -1.18 2.88 -0.56 -4.97 113.62 113.28 7i1b n SER 21 Ca 0.07 0.33 -0.17 0.00 -1.33 0.00 0.00 58.87 57.77 7i1b n SER 21 Cb 0.49 -0.59 0.08 0.00 -0.75 0.00 0.00 64.21 63.44 7i1b n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 7i1b n GLY 22 N 1.71 1.15 0.46 0.46 0.00 -1.06 -4.97 105.19 102.93 7i1b n GLY 22 Ca -0.02 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 7i1b n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7i1b h PRO 23 N 0.00 -1.01 -0.85 1.61 0.11 -2.03 -3.13 132.00 126.70 7i1b h PRO 23 Ca -0.25 0.07 -0.59 0.00 0.11 0.00 0.00 66.00 65.34 7i1b h PRO 23 Cb 0.99 0.23 -0.34 0.00 0.11 0.00 0.00 31.00 31.98 7i1b h PRO 23 CO 0.29 -0.67 0.04 0.66 -0.21 0.00 0.00 178.00 178.11 7i1b n TYR 24 N -5.56 2.89 -3.80 0.65 4.01 -1.26 -4.95 117.16 109.13 7i1b n TYR 24 Ca -0.13 -2.56 -0.19 0.00 -0.16 0.00 0.00 57.90 54.86 7i1b n TYR 24 Cb 0.45 -0.88 -0.17 0.00 -0.31 0.00 0.00 39.34 38.43 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 -3.68 0.19 0.10 -0.72 2.02 -1.18 -4.43 118.70 110.99 7i1b s GLU 25 Ca 0.57 0.19 0.08 0.00 0.02 0.00 0.00 54.97 55.83 7i1b s GLU 25 Cb 0.46 -0.53 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 7i1b s GLU 25 CO 0.02 -0.23 -0.14 -0.51 0.02 0.00 0.00 175.26 174.42 7i1b s LEU 26 N 1.52 2.88 0.07 1.80 1.43 -1.26 -1.50 118.68 123.62 7i1b s LEU 26 Ca -0.03 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 7i1b s LEU 26 Cb -0.13 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 7i1b s LEU 26 CO -0.03 0.19 -0.17 -0.54 0.23 0.00 0.00 176.35 176.03 7i1b s LYS 27 N -2.11 1.00 -0.33 1.70 1.02 0.93 -0.91 119.74 121.04 7i1b s LYS 27 Ca 0.19 -0.95 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 7i1b s LYS 27 Cb -0.11 -1.09 0.05 0.00 -0.52 0.00 0.00 37.83 36.16 7i1b s LYS 27 CO 0.12 0.26 0.07 0.00 -0.92 0.00 0.00 175.35 174.87 7i1b s ALA 28 N -1.06 2.95 0.33 5.17 0.00 -1.12 -0.27 121.76 127.76 7i1b s ALA 28 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.16 7i1b s ALA 28 Cb -0.09 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 7i1b s ALA 28 CO 0.02 -1.35 0.40 -0.48 0.00 0.00 0.00 175.76 174.35 7i1b s LEU 29 N 1.31 1.23 0.07 0.00 0.05 -0.95 -4.36 118.68 116.04 7i1b s LEU 29 Ca -0.02 -1.56 -0.31 0.00 0.05 0.00 0.00 54.13 52.29 7i1b s LEU 29 Cb -0.20 1.14 -0.07 0.00 -2.05 0.00 0.00 46.19 45.02 7i1b s LEU 29 CO 0.00 -1.20 1.37 -1.00 -0.55 0.00 0.00 176.35 174.97 7i1b s HIS 30 N -3.24 3.12 -0.05 3.48 3.76 -1.26 -1.78 115.29 119.32 7i1b s HIS 30 Ca 0.34 0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 56.17 7i1b s HIS 30 Cb 0.01 -3.64 0.03 0.00 1.11 0.00 0.00 32.58 30.08 7i1b s HIS 30 CO 0.22 -2.28 0.05 -1.17 -0.85 0.00 0.00 174.74 170.72 7i1b s LEU 31 N 1.58 0.20 0.15 0.89 2.96 -1.26 -4.92 118.68 118.28 7i1b s LEU 31 Ca 0.64 0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 54.36 7i1b s LEU 31 Cb -0.34 -0.18 0.07 0.00 0.50 0.00 0.00 46.19 46.24 7i1b s LEU 31 CO 0.29 -0.25 0.63 -1.58 -1.32 0.00 0.00 176.35 174.12 7i1b s GLN 32 N 2.15 1.26 1.31 1.98 0.74 -1.26 -4.84 119.66 121.00 7i1b s GLN 32 Ca 0.05 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 54.98 7i1b s GLN 32 Cb -0.12 0.57 0.00 0.00 1.10 0.00 0.00 33.01 34.56 7i1b s GLN 32 CO -0.03 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 7i1b n GLY 33 N -0.37 -1.73 0.34 2.59 0.00 -1.26 -3.80 105.19 100.95 7i1b n GLY 33 Ca -0.16 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 44.55 7i1b n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 4.15 -2.06 0.30 115.11 119.11 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 178.83 173.43 7i1b n ASP 35 N -3.43 0.00 0.00 -0.69 2.03 -1.25 -2.84 116.55 110.38 7i1b n ASP 35 Ca 0.00 -0.39 0.08 0.00 0.52 0.00 0.00 54.79 55.00 7i1b n ASP 35 Cb 0.31 -0.10 0.47 0.00 -0.72 0.00 0.00 41.12 41.08 7i1b n ASP 35 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 7i1b n MET 36 N -1.10 0.60 0.15 -0.67 0.00 0.10 -2.81 117.12 113.40 7i1b n MET 36 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.84 7i1b n MET 36 Cb 0.09 -1.41 0.19 0.00 0.00 0.00 0.00 33.22 32.09 7i1b n MET 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 7i1b h GLU 37 N 0.00 0.00 -0.96 3.17 4.11 -1.76 -2.97 114.58 116.18 7i1b h GLU 37 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 7i1b h GLU 37 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 7i1b h GLU 37 CO 0.00 0.54 0.05 0.00 0.07 0.00 0.00 179.01 179.67 7i1b n GLN 38 N -3.54 1.51 -2.78 1.06 10.64 -1.12 -4.82 117.38 118.32 7i1b n GLN 38 Ca -0.00 -0.55 -0.42 0.00 -1.83 0.00 0.00 57.00 54.20 7i1b n GLN 38 Cb 0.63 -1.47 -0.03 0.00 -0.86 0.00 0.00 30.24 28.51 7i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 7i1b s GLN 39 N -1.02 4.31 0.74 2.61 0.74 -1.12 -4.43 119.66 121.48 7i1b s GLN 39 Ca 0.10 1.20 -0.12 0.00 0.05 0.00 0.00 55.36 56.59 7i1b s GLN 39 Cb 0.08 -3.59 0.03 0.00 1.10 0.00 0.00 33.01 30.63 7i1b s GLN 39 CO 0.02 -0.42 1.11 0.08 -0.55 0.00 0.00 175.29 175.53 7i1b s VAL 40 N 2.45 3.22 -0.03 1.34 1.01 -1.10 -5.03 120.40 122.27 7i1b s VAL 40 Ca 0.42 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 7i1b s VAL 40 Cb -0.16 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.90 7i1b s VAL 40 CO 0.12 -0.52 0.04 -0.69 0.00 0.00 0.00 175.10 174.05 7i1b s VAL 41 N -3.36 -0.04 0.42 2.92 1.01 -1.26 -4.74 120.40 115.35 7i1b s VAL 41 Ca 0.59 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.92 7i1b s VAL 41 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.14 7i1b s VAL 41 CO 0.52 0.13 0.54 -0.36 0.00 0.00 0.00 175.10 175.93 7i1b s PHE 42 N 1.43 2.81 -0.45 5.22 0.08 -0.89 -2.02 117.98 124.15 7i1b s PHE 42 Ca -0.04 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.63 7i1b s PHE 42 Cb -0.13 -2.34 0.12 0.00 -0.57 0.00 0.00 43.02 40.11 7i1b s PHE 42 CO -0.03 -0.36 0.21 0.45 -0.10 0.00 0.00 175.22 175.38 7i1b s SER 43 N -4.31 4.19 0.33 1.36 0.15 0.44 -1.30 113.70 114.55 7i1b s SER 43 Ca 0.54 -2.66 -0.29 0.00 0.70 0.00 0.00 55.95 54.24 7i1b s SER 43 Cb -0.09 -1.41 -0.10 0.00 -1.71 0.00 0.00 66.02 62.70 7i1b s SER 43 CO 0.32 -0.28 1.38 -0.32 1.20 0.00 0.00 173.24 175.54 7i1b s MET 44 N 0.23 4.28 -0.08 5.44 1.75 0.19 -2.41 119.30 128.70 7i1b s MET 44 Ca 0.16 2.32 -0.01 0.00 -1.25 0.00 0.00 55.69 56.91 7i1b s MET 44 Cb -0.24 -3.05 0.03 0.00 2.84 0.00 0.00 34.83 34.41 7i1b s MET 44 CO -0.03 -0.32 -0.00 -1.12 -0.65 0.00 0.00 175.02 172.90 7i1b s SER 45 N -0.25 1.64 -0.52 1.11 0.01 -0.48 0.95 113.70 116.15 7i1b s SER 45 Ca 0.52 -0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.39 7i1b s SER 45 Cb -0.42 -0.46 0.02 0.00 0.21 0.00 0.00 66.02 65.37 7i1b s SER 45 CO 0.54 -0.19 1.32 -0.36 0.41 0.00 0.00 173.24 174.96 7i1b s PHE 46 N 1.96 2.46 0.19 2.43 0.40 -1.23 -0.46 117.98 123.73 7i1b s PHE 46 Ca 0.05 0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.94 7i1b s PHE 46 Cb -0.12 -4.41 0.03 0.00 0.51 0.00 0.00 43.02 39.02 7i1b s PHE 46 CO -0.05 -1.79 0.26 1.33 0.70 0.00 0.00 175.22 175.67 7i1b n VAL 47 N 6.86 0.00 -3.27 -0.44 0.24 -1.01 -4.60 118.33 116.11 7i1b n VAL 47 Ca 0.12 -0.64 -0.31 0.00 -2.04 0.00 0.00 64.34 61.47 7i1b n VAL 47 Cb 0.49 -0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 7i1b n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s GLN 48 N -2.87 3.81 0.00 7.34 -2.07 0.07 -4.79 119.66 121.15 7i1b s GLN 48 Ca 0.20 0.34 0.00 0.00 -1.82 0.00 0.00 55.36 54.08 7i1b s GLN 48 Cb -0.02 -2.57 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 7i1b s GLN 48 CO 0.13 0.22 0.00 0.41 -1.32 0.00 0.00 175.29 174.73 7i1b n GLY 49 N -0.46 -1.17 3.52 2.60 0.00 -1.26 -4.76 105.19 103.66 7i1b n GLY 49 Ca 0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 0.22 -1.75 1.61 1.02 -1.26 -4.77 120.64 115.71 7i1b n GLU 50 Ca 0.00 -1.21 -0.23 0.00 -0.02 0.00 0.00 57.16 55.70 7i1b n GLU 50 Cb 0.00 -3.47 -0.09 0.00 -0.02 0.00 0.00 31.44 27.86 7i1b n GLU 50 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 7i1b n GLU 51 N 7.89 0.84 -0.31 3.49 0.28 -1.26 -4.78 120.64 126.79 7i1b n GLU 51 Ca 0.40 -2.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.36 7i1b n GLU 51 Cb 0.44 -3.77 0.00 0.00 1.43 0.00 0.00 31.44 29.55 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 16.62 0.00 0.10 -1.84 2.88 -1.21 -5.00 113.62 125.17 7i1b n SER 52 Ca 0.43 -0.80 0.11 0.00 -1.33 0.00 0.00 58.87 57.28 7i1b n SER 52 Cb 0.46 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 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 -2.39 0.83 0.00 -3.46 2.85 -1.26 -4.55 115.26 107.28 7i1b n ASN 53 Ca 0.00 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 7i1b n ASN 53 Cb 0.00 0.47 0.00 0.00 1.24 0.00 0.00 39.78 41.49 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 -2.68 2.61 -4.62 1.20 9.92 -1.26 -4.98 116.55 116.74 7i1b n ASP 54 Ca -0.01 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.82 7i1b n ASP 54 Cb 0.57 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.99 3.73 -0.56 -1.24 1.02 -1.26 -4.36 119.74 115.07 7i1b s LYS 55 Ca 0.00 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.23 7i1b s LYS 55 Cb 0.00 -3.99 0.14 0.00 -0.52 0.00 0.00 37.83 33.47 7i1b s LYS 55 CO 0.00 -1.37 0.34 0.42 -0.92 0.00 0.00 175.35 173.83 7i1b s ILE 56 N 5.11 3.21 0.01 2.17 1.01 -1.02 -3.34 121.20 128.36 7i1b s ILE 56 Ca 0.63 -3.03 -0.30 0.00 0.00 0.00 0.00 60.65 57.95 7i1b s ILE 56 Cb -0.18 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.06 7i1b s ILE 56 CO 0.28 -0.83 1.87 -2.84 0.00 0.00 0.00 174.94 173.43 7i1b s PRO 57 N -0.05 4.15 0.00 2.79 0.02 -1.26 -2.13 135.00 138.52 7i1b s PRO 57 Ca 0.16 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.67 7i1b s PRO 57 Cb -0.22 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.20 7i1b s PRO 57 CO -0.02 -0.92 0.00 1.33 -0.33 0.00 0.00 177.00 177.06 7i1b n VAL 58 N 5.52 0.00 -3.66 3.83 0.24 -0.89 -2.40 118.33 120.96 7i1b n VAL 58 Ca 0.19 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.34 7i1b n VAL 58 Cb 0.41 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.64 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -2.00 -0.32 -0.39 2.33 0.00 0.39 -2.00 121.76 119.76 7i1b s ALA 59 Ca 0.00 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 7i1b s ALA 59 Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.23 7i1b s ALA 59 CO 0.00 -0.60 0.68 -0.51 0.00 0.00 0.00 175.76 175.33 7i1b s LEU 60 N 2.35 4.28 -0.10 0.00 1.43 -1.26 -1.38 118.68 123.99 7i1b s LEU 60 Ca 0.02 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 7i1b s LEU 60 Cb -0.12 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.26 7i1b s LEU 60 CO -0.07 -0.70 -0.22 -0.83 0.23 0.00 0.00 176.35 174.76 7i1b s GLY 61 N 1.89 1.26 0.20 -3.19 0.00 -1.01 -2.63 107.32 103.85 7i1b s GLY 61 Ca 0.26 -0.91 -0.32 0.00 0.00 0.00 0.00 44.72 43.75 7i1b s GLY 61 CO 0.17 -0.22 1.70 1.08 0.00 0.00 0.00 173.10 175.83 7i1b s LEU 62 N 0.46 4.37 0.02 0.66 1.43 -0.88 0.17 118.68 124.90 7i1b s LEU 62 Ca -0.17 2.83 -0.23 0.00 -1.03 0.00 0.00 54.13 55.53 7i1b s LEU 62 Cb -0.17 -3.60 -0.17 0.00 0.03 0.00 0.00 46.19 42.28 7i1b s LEU 62 CO 0.07 -0.95 1.38 0.50 0.23 0.00 0.00 176.35 177.58 7i1b h LYS 63 N 6.76 0.12 0.13 1.70 1.63 -1.68 -3.28 116.57 121.96 7i1b h LYS 63 Ca -0.43 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.34 7i1b h LYS 63 Cb 1.20 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 7i1b h LYS 63 CO 0.95 0.48 -0.30 0.93 -3.45 0.00 0.00 179.45 178.06 7i1b h GLU 64 N -0.24 -0.51 -6.39 1.90 4.39 -1.91 -3.43 114.58 108.39 7i1b h GLU 64 Ca 0.01 0.03 -0.63 0.00 0.34 0.00 0.00 59.36 59.12 7i1b h GLU 64 Cb 0.44 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 29.05 7i1b h GLU 64 CO 0.01 -0.34 -0.78 0.15 -1.16 0.00 0.00 179.01 176.89 7i1b s LYS 65 N -6.03 1.66 0.00 2.33 1.02 -1.24 -5.00 119.74 112.48 7i1b s LYS 65 Ca -0.16 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.20 7i1b s LYS 65 Cb 0.08 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 7i1b s LYS 65 CO 0.65 0.37 1.81 0.27 -0.92 0.00 0.00 175.35 177.52 7i1b n ASN 66 N -0.23 4.85 -4.55 2.83 0.23 -1.26 -3.94 115.26 113.19 7i1b n ASN 66 Ca -0.08 -2.28 -0.42 0.00 -0.53 0.00 0.00 54.58 51.27 7i1b n ASN 66 Cb 0.58 -1.02 -0.08 0.00 -2.08 0.00 0.00 39.78 37.18 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 4.40 -0.00 -4.53 1.43 -1.26 -2.68 118.68 116.03 7i1b s LEU 67 Ca 0.00 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 7i1b s LEU 67 Cb 0.00 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 7i1b s LEU 67 CO 0.00 -0.54 0.20 -0.31 0.23 0.00 0.00 176.35 175.93 7i1b s TYR 68 N 2.46 3.55 0.46 0.29 1.51 -0.71 -2.08 117.35 122.83 7i1b s TYR 68 Ca 0.19 0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 56.42 7i1b s TYR 68 Cb -0.15 -1.86 -0.08 0.00 -0.11 0.00 0.00 41.96 39.76 7i1b s TYR 68 CO 0.14 0.64 1.10 -0.51 -1.11 0.00 0.00 175.55 175.81 7i1b s LEU 69 N -1.93 3.98 -0.21 -1.29 1.02 -1.08 -1.24 118.68 117.93 7i1b s LEU 69 Ca 0.28 2.14 -0.15 0.00 0.02 0.00 0.00 54.13 56.41 7i1b s LEU 69 Cb -0.13 -4.33 0.06 0.00 0.02 0.00 0.00 46.19 41.81 7i1b s LEU 69 CO 0.18 -0.81 0.53 -0.94 0.02 0.00 0.00 176.35 175.34 7i1b s SER 70 N -1.59 -0.64 -0.16 2.29 1.04 0.83 -4.41 113.70 111.06 7i1b s SER 70 Ca 0.64 1.13 -0.24 0.00 0.48 0.00 0.00 55.95 57.96 7i1b s SER 70 Cb -0.24 1.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 7i1b s SER 70 CO 0.29 -0.20 0.76 0.00 0.98 0.00 0.00 173.24 175.07 7i1b s VAL 72 N 1.89 0.49 -0.02 0.00 -7.23 -0.84 -4.76 120.40 109.94 7i1b s VAL 72 Ca 0.36 -1.48 -0.28 0.00 -1.81 0.00 0.00 61.98 58.77 7i1b s VAL 72 Cb -0.17 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 7i1b s VAL 72 CO 0.13 -0.67 0.92 -0.76 -0.31 0.00 0.00 175.10 174.41 7i1b s LEU 73 N -2.29 4.36 -0.70 1.32 1.43 -1.26 -1.64 118.68 119.89 7i1b s LEU 73 Ca -0.00 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.69 7i1b s LEU 73 Cb -0.02 -3.46 0.17 0.00 0.03 0.00 0.00 46.19 42.91 7i1b s LEU 73 CO -0.03 -0.23 0.50 -0.54 0.23 0.00 0.00 176.35 176.28 7i1b s LYS 74 N 0.96 2.50 0.00 1.70 1.02 0.41 -4.65 119.74 121.68 7i1b s LYS 74 Ca 0.49 -3.25 0.00 0.00 0.02 0.00 0.00 55.97 53.23 7i1b s LYS 74 Cb -0.20 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 7i1b s LYS 74 CO 0.26 -1.26 0.00 -0.25 -0.92 0.00 0.00 175.35 173.18 7i1b n ASP 75 N 2.16 -1.55 -0.40 2.83 8.00 -1.26 -3.64 116.55 122.69 7i1b n ASP 75 Ca 0.18 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 7i1b n ASP 75 Cb 0.35 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.14 -4.86 -4.11 -2.24 8.00 -1.26 -4.98 116.55 107.24 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 0.39 -2.82 -0.16 0.00 -0.02 0.00 0.00 41.12 38.50 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 -2.02 2.93 0.37 -1.24 2.20 -1.24 -5.08 119.74 115.66 7i1b s LYS 77 Ca 0.00 -0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 54.51 7i1b s LYS 77 Cb 0.00 -2.55 -0.11 0.00 -1.51 0.00 0.00 37.83 33.65 7i1b s LYS 77 CO 0.00 -0.22 1.26 -2.30 -0.36 0.00 0.00 175.35 173.73 7i1b n PRO 78 N 4.62 2.01 -3.95 4.03 -0.02 -1.26 -0.44 135.00 140.00 7i1b n PRO 78 Ca -0.21 0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 7i1b n PRO 78 Cb 0.50 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.14 0.00 -0.10 3.45 2.01 -0.65 -4.77 115.64 114.44 7i1b s THR 79 Ca 0.57 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 7i1b s THR 79 Cb -0.55 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 7i1b s THR 79 CO 0.61 -0.00 0.03 -0.22 -0.69 0.00 0.00 174.62 174.35 7i1b s LEU 80 N -2.98 3.75 0.04 4.42 2.96 -1.26 -1.98 118.68 123.63 7i1b s LEU 80 Ca 0.18 0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.07 7i1b s LEU 80 Cb -0.03 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.84 7i1b s LEU 80 CO 0.08 0.36 0.51 -1.58 -1.32 0.00 0.00 176.35 174.40 7i1b s GLN 81 N -0.76 1.02 0.09 1.98 0.74 -0.67 -4.82 119.66 117.24 7i1b s GLN 81 Ca 0.12 -0.24 -0.07 0.00 0.05 0.00 0.00 55.36 55.21 7i1b s GLN 81 Cb -0.12 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 7i1b s GLN 81 CO 0.02 -0.36 0.36 -0.51 -0.55 0.00 0.00 175.29 174.26 7i1b s LEU 82 N -1.96 4.32 -0.09 3.68 1.43 -1.26 -0.12 118.68 124.68 7i1b s LEU 82 Ca -0.05 0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 7i1b s LEU 82 Cb -0.01 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.21 7i1b s LEU 82 CO -0.02 0.14 0.20 -0.70 0.23 0.00 0.00 176.35 176.21 7i1b s GLU 83 N -2.17 0.16 -0.12 1.70 2.12 -0.37 -4.92 118.70 115.10 7i1b s GLU 83 Ca 0.35 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.84 7i1b s GLU 83 Cb -0.13 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 7i1b s GLU 83 CO 0.20 -0.16 1.44 0.45 -0.54 0.00 0.00 175.26 176.65 7i1b s SER 84 N 1.19 6.80 0.11 -1.70 0.15 -1.26 -1.74 113.70 117.25 7i1b s SER 84 Ca -0.09 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.47 7i1b s SER 84 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 7i1b s SER 84 CO -0.07 -0.85 0.00 1.33 1.20 0.00 0.00 173.24 174.84 7i1b n VAL 85 N 5.47 0.00 -3.08 4.45 0.24 -1.09 -4.97 118.33 119.35 7i1b n VAL 85 Ca 0.15 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 7i1b n VAL 85 Cb 0.44 -1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 31.58 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 6.46 0.00 -1.34 2.15 -1.26 -4.91 116.67 116.78 7i1b s ASP 86 Ca 0.00 0.23 0.07 0.00 0.43 0.00 0.00 52.55 53.28 7i1b s ASP 86 Cb 0.00 -2.34 0.33 0.00 -0.30 0.00 0.00 42.92 40.61 7i1b s ASP 86 CO 0.00 -0.61 1.15 -0.81 -0.17 0.00 0.00 175.17 174.73 7i1b n PRO 87 N 6.10 0.05 -0.09 4.34 -0.04 -1.26 -1.22 135.00 142.88 7i1b n PRO 87 Ca -0.00 0.30 -0.19 0.00 -0.04 0.00 0.00 63.50 63.56 7i1b n PRO 87 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 7i1b n LYS 88 N -1.39 0.68 0.08 0.54 4.76 -1.26 -4.55 118.16 117.02 7i1b n LYS 88 Ca 0.03 0.19 -0.22 0.00 -2.87 0.00 0.00 58.31 55.44 7i1b n LYS 88 Cb 0.07 -1.58 -0.15 0.00 -1.84 0.00 0.00 35.03 31.53 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 7i1b h ASN 89 N -0.02 0.59 -3.06 4.39 4.21 -1.91 -3.46 115.58 116.33 7i1b h ASN 89 Ca -0.53 -0.84 -0.60 0.00 1.21 0.00 0.00 56.30 55.54 7i1b h ASN 89 Cb 1.93 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 38.90 7i1b h ASN 89 CO -0.04 1.70 -0.39 -0.31 -1.29 0.00 0.00 177.43 177.10 7i1b s TYR 90 N -2.59 3.50 0.47 1.19 2.02 -0.36 -3.80 117.35 117.78 7i1b s TYR 90 Ca -0.14 0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.79 7i1b s TYR 90 Cb 0.06 -1.91 -0.08 0.00 -0.40 0.00 0.00 41.96 39.62 7i1b s TYR 90 CO 0.86 0.50 1.07 -1.25 -1.57 0.00 0.00 175.55 175.17 7i1b s PRO 91 N -2.56 3.82 0.09 -1.71 0.04 -1.26 -4.58 135.00 128.84 7i1b s PRO 91 Ca 0.38 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.93 7i1b s PRO 91 Cb -0.12 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 7i1b s PRO 91 CO 0.26 -0.44 -0.07 0.21 0.04 0.00 0.00 177.00 177.00 7i1b s LYS 92 N -2.99 0.78 0.44 4.56 2.20 -1.25 -4.95 119.74 118.54 7i1b s LYS 92 Ca 0.65 -1.24 0.12 0.00 -0.36 0.00 0.00 55.97 55.14 7i1b s LYS 92 Cb -0.20 -0.22 1.00 0.00 -1.51 0.00 0.00 37.83 36.90 7i1b s LYS 92 CO 0.25 -0.01 2.03 -0.22 -0.36 0.00 0.00 175.35 177.04 7i1b h LYS 93 N 3.22 0.39 -6.30 4.03 3.64 -1.93 -3.42 116.57 116.21 7i1b h LYS 93 Ca -0.35 -0.02 -0.66 0.00 -1.27 0.00 0.00 60.65 58.35 7i1b h LYS 93 Cb 1.17 -0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.77 7i1b h LYS 93 CO 0.61 0.26 -0.66 0.21 -2.27 0.00 0.00 179.45 177.59 7i1b s LYS 94 N -5.38 2.59 -0.01 1.90 2.20 -1.26 -0.75 119.74 119.03 7i1b s LYS 94 Ca -0.07 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 7i1b s LYS 94 Cb 0.18 -2.56 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 7i1b s LYS 94 CO 0.73 0.57 0.15 -1.64 -0.36 0.00 0.00 175.35 174.80 7i1b s MET 95 N -2.03 0.43 0.67 4.03 -1.94 -1.26 -4.98 119.30 114.22 7i1b s MET 95 Ca 0.23 -0.25 -0.16 0.00 -1.71 0.00 0.00 55.69 53.81 7i1b s MET 95 Cb -0.12 0.18 0.01 0.00 2.01 0.00 0.00 34.83 36.91 7i1b s MET 95 CO 0.15 -0.10 1.17 -1.21 -0.01 0.00 0.00 175.02 175.02 7i1b s GLU 96 N -1.05 2.57 0.51 2.03 2.02 -1.26 -4.72 118.70 118.81 7i1b s GLU 96 Ca -0.11 1.63 0.27 0.00 0.02 0.00 0.00 54.97 56.77 7i1b s GLU 96 Cb -0.06 -1.90 1.37 0.00 0.10 0.00 0.00 34.13 33.64 7i1b s GLU 96 CO 0.01 -1.48 1.92 0.87 0.02 0.00 0.00 175.26 176.61 7i1b h LYS 97 N 0.08 0.08 -0.77 1.61 1.79 -1.93 0.85 116.57 118.29 7i1b h LYS 97 Ca -0.48 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.03 7i1b h LYS 97 Cb 1.28 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.86 7i1b h LYS 97 CO 0.52 0.06 0.48 0.00 -1.08 0.00 0.00 179.45 179.43 7i1b h ARG 98 N 0.09 0.88 -0.00 3.15 3.08 -1.89 -2.03 114.38 117.66 7i1b h ARG 98 Ca 0.37 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.37 7i1b h ARG 98 Cb 1.36 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.21 7i1b h ARG 98 CO -0.04 0.58 -0.52 1.19 -1.07 0.00 0.00 179.97 180.11 7i1b n PHE 99 N -4.65 0.00 -2.93 3.04 3.72 0.17 -2.62 117.46 114.20 7i1b n PHE 99 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 7i1b n PHE 99 Cb 0.12 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.89 4.76 -0.20 -4.37 1.01 -0.45 -4.34 120.40 113.91 7i1b s VAL 100 Ca 0.13 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 7i1b s VAL 100 Cb 0.18 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 7i1b s VAL 100 CO 0.69 -0.31 -0.09 -0.36 0.00 0.00 0.00 175.10 175.03 7i1b s PHE 101 N 3.04 2.90 -0.69 5.22 0.40 -0.85 -2.16 117.98 125.84 7i1b s PHE 101 Ca 0.33 -1.09 -0.26 0.00 -0.60 0.00 0.00 56.93 55.31 7i1b s PHE 101 Cb -0.14 -2.04 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 7i1b s PHE 101 CO 0.14 -0.59 1.63 -0.80 0.70 0.00 0.00 175.22 176.31 7i1b s ASN 102 N 1.34 5.64 -0.54 1.36 0.01 -0.78 -2.09 114.94 119.88 7i1b s ASN 102 Ca 0.04 -0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 51.83 7i1b s ASN 102 Cb -0.14 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.00 7i1b s ASN 102 CO -0.05 -2.16 1.32 -0.75 -1.51 0.00 0.00 177.10 173.95 7i1b s LYS 103 N 6.48 3.45 0.49 -0.60 2.20 -0.91 -2.58 119.74 128.27 7i1b s LYS 103 Ca 0.54 0.48 0.08 0.00 -0.36 0.00 0.00 55.97 56.72 7i1b s LYS 103 Cb -0.10 -4.05 0.04 0.00 -1.51 0.00 0.00 37.83 32.20 7i1b s LYS 103 CO 0.16 -1.75 0.62 0.42 -0.36 0.00 0.00 175.35 174.44 7i1b s ILE 104 N 5.47 2.52 -0.09 5.43 1.01 0.09 -2.42 121.20 133.21 7i1b s ILE 104 Ca 0.50 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 7i1b s ILE 104 Cb -0.10 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.80 7i1b s ILE 104 CO 0.27 0.00 -0.01 -1.61 0.00 0.00 0.00 174.94 173.59 7i1b s GLU 105 N -4.44 0.82 -0.04 2.79 2.02 -1.26 -2.16 118.70 116.42 7i1b s GLU 105 Ca 0.55 0.00 -0.02 0.00 0.02 0.00 0.00 54.97 55.53 7i1b s GLU 105 Cb -0.07 -1.16 0.03 0.00 0.10 0.00 0.00 34.13 33.03 7i1b s GLU 105 CO 0.34 -0.31 0.07 0.42 0.02 0.00 0.00 175.26 175.80 7i1b s ILE 106 N 1.91 -0.12 -1.29 -1.63 1.01 -0.07 -4.86 121.20 116.15 7i1b s ILE 106 Ca 0.05 0.38 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 7i1b s ILE 106 Cb -0.13 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.19 7i1b s ILE 106 CO -0.06 0.16 1.08 -3.20 0.00 0.00 0.00 174.94 172.92 7i1b n ASN 107 N 5.12 -4.23 -2.35 3.58 2.85 -1.26 -1.66 115.26 117.30 7i1b n ASN 107 Ca -0.07 -0.59 -0.21 0.00 -0.11 0.00 0.00 54.58 53.60 7i1b n ASN 107 Cb 0.50 -5.01 -0.01 0.00 1.24 0.00 0.00 39.78 36.49 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 -3.06 -5.90 -4.19 1.20 2.85 -1.26 -4.97 115.26 99.92 7i1b n ASN 108 Ca -0.13 0.02 -0.14 0.00 -0.11 0.00 0.00 54.58 54.21 7i1b n ASN 108 Cb 0.61 -4.93 -0.11 0.00 1.24 0.00 0.00 39.78 36.60 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 -4.97 0.88 0.12 1.20 1.02 -0.66 -5.04 119.74 112.29 7i1b s LYS 109 Ca 0.00 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.80 7i1b s LYS 109 Cb 0.00 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 7i1b s LYS 109 CO 0.00 0.08 0.25 -0.51 -0.92 0.00 0.00 175.35 174.25 7i1b s LEU 110 N -2.56 4.31 -0.08 3.17 1.43 -0.79 -0.89 118.68 123.28 7i1b s LEU 110 Ca 0.07 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 7i1b s LEU 110 Cb -0.02 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.35 7i1b s LEU 110 CO 0.00 0.09 0.15 -1.61 0.23 0.00 0.00 176.35 175.21 7i1b s GLU 111 N -2.99 0.04 -0.32 1.70 2.02 -0.92 -1.27 118.70 116.96 7i1b s GLU 111 Ca 0.34 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.73 7i1b s GLU 111 Cb -0.12 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 33.83 7i1b s GLU 111 CO 0.28 -0.28 0.20 -0.06 0.02 0.00 0.00 175.26 175.42 7i1b s PHE 112 N 2.05 3.21 -0.12 1.61 0.08 -1.26 -0.73 117.98 122.81 7i1b s PHE 112 Ca 0.01 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.71 7i1b s PHE 112 Cb -0.12 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 7i1b s PHE 112 CO -0.06 -0.37 0.06 -2.00 -0.10 0.00 0.00 175.22 172.75 7i1b s GLU 113 N 1.69 3.39 -0.40 0.44 2.12 -1.07 -2.33 118.70 122.55 7i1b s GLU 113 Ca 0.06 -0.31 -0.28 0.00 0.36 0.00 0.00 54.97 54.80 7i1b s GLU 113 Cb -0.17 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 7i1b s GLU 113 CO 0.09 0.61 1.91 0.45 -0.54 0.00 0.00 175.26 177.77 7i1b s SER 114 N -0.58 5.58 0.61 -1.70 0.15 -0.57 -1.87 113.70 115.32 7i1b s SER 114 Ca 0.11 1.11 0.21 0.00 0.70 0.00 0.00 55.95 58.09 7i1b s SER 114 Cb -0.12 -2.52 1.17 0.00 -1.71 0.00 0.00 66.02 62.83 7i1b s SER 114 CO 0.02 -1.99 1.64 0.00 1.20 0.00 0.00 173.24 174.11 7i1b h ALA 115 N 14.16 1.45 0.00 5.45 0.00 -1.58 -0.75 119.26 137.99 7i1b h ALA 115 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 7i1b h ALA 115 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 7i1b h ALA 115 CO 1.08 -0.45 -0.15 0.37 0.00 0.00 0.00 179.25 180.11 7i1b h GLN 116 N 0.00 0.00 -3.62 0.00 4.15 -1.81 -3.42 115.11 110.41 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 7i1b h GLN 116 Cb 0.93 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.26 7i1b h GLN 116 CO 0.00 0.42 -0.41 -0.06 -1.93 0.00 0.00 178.83 176.85 7i1b s PHE 117 N -1.91 3.39 0.85 3.99 0.08 -0.30 -5.09 117.98 119.00 7i1b s PHE 117 Ca -0.10 -2.77 -0.12 0.00 0.12 0.00 0.00 56.93 54.06 7i1b s PHE 117 Cb -0.00 -3.15 0.09 0.00 -0.57 0.00 0.00 43.02 39.39 7i1b s PHE 117 CO 0.31 -0.83 1.05 -2.30 -0.10 0.00 0.00 175.22 173.34 7i1b n PRO 118 N 3.49 -0.07 0.00 0.24 -0.02 -1.17 -2.31 135.00 135.16 7i1b n PRO 118 Ca 0.07 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 7i1b n PRO 118 Cb 0.37 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 -3.17 0.00 -4.41 2.55 3.02 -1.26 -4.97 115.26 107.02 7i1b n ASN 119 Ca 0.12 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 7i1b n ASN 119 Cb 0.51 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.82 3.17 0.53 3.10 0.52 -0.98 -4.59 118.94 118.86 7i1b s TRP 120 Ca 0.00 -0.68 0.03 0.00 0.02 0.00 0.00 56.10 55.46 7i1b s TRP 120 Cb 0.00 -2.32 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 7i1b s TRP 120 CO 0.00 -0.49 0.23 0.66 0.02 0.00 0.00 176.95 177.37 7i1b n TYR 121 N 4.95 0.18 -2.97 -1.98 4.02 -0.51 -1.51 117.16 119.33 7i1b n TYR 121 Ca -0.14 -2.39 -0.41 0.00 -0.01 0.00 0.00 57.90 54.95 7i1b n TYR 121 Cb 0.49 -0.40 -0.05 0.00 -0.02 0.00 0.00 39.34 39.36 7i1b n TYR 121 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 7i1b s ILE 122 N -2.76 4.88 0.27 -0.72 1.01 -0.98 -1.13 121.20 121.77 7i1b s ILE 122 Ca 0.17 1.40 0.09 0.00 0.00 0.00 0.00 60.65 62.31 7i1b s ILE 122 Cb -0.01 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 7i1b s ILE 122 CO 0.11 -0.05 -0.13 -0.44 0.00 0.00 0.00 174.94 174.43 7i1b s SER 123 N 1.40 3.12 0.18 3.58 0.01 -0.45 -4.46 113.70 117.09 7i1b s SER 123 Ca 0.32 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.52 7i1b s SER 123 Cb -0.15 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 7i1b s SER 123 CO 0.08 -0.16 -0.06 0.42 0.41 0.00 0.00 173.24 173.94 7i1b s THR 124 N -2.79 1.08 -0.28 1.44 -4.23 -0.74 -2.63 115.64 107.49 7i1b s THR 124 Ca 0.28 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.64 7i1b s THR 124 Cb -0.00 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 7i1b s THR 124 CO 0.12 -0.57 0.17 -0.55 -0.54 0.00 0.00 174.62 173.25 7i1b s SER 125 N -3.22 5.86 0.55 3.99 0.15 -1.26 -2.75 113.70 117.01 7i1b s SER 125 Ca 0.22 -0.08 0.36 0.00 0.70 0.00 0.00 55.95 57.15 7i1b s SER 125 Cb 0.04 -2.08 1.54 0.00 -1.71 0.00 0.00 66.02 63.80 7i1b s SER 125 CO 0.04 -0.06 1.79 -0.61 1.20 0.00 0.00 173.24 175.60 7i1b h GLN 126 N 8.35 0.00 -6.29 5.44 4.15 -1.94 -3.42 115.11 121.40 7i1b h GLN 126 Ca -0.35 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.55 7i1b h GLN 126 Cb 1.18 0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.11 7i1b h GLN 126 CO 0.56 0.00 -1.63 0.00 -1.93 0.00 0.00 178.83 175.83 7i1b n ALA 127 N -2.73 -4.68 -2.40 3.38 0.00 -1.26 -4.90 120.51 107.91 7i1b n ALA 127 Ca 0.25 -0.92 -0.38 0.00 0.00 0.00 0.00 53.44 52.39 7i1b n ALA 127 Cb 1.25 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.61 4.20 -0.46 0.00 2.02 -1.26 -4.54 118.70 116.04 7i1b s GLU 128 Ca 0.46 0.66 -0.20 0.00 0.02 0.00 0.00 54.97 55.90 7i1b s GLU 128 Cb -0.11 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.86 7i1b s GLU 128 CO 0.73 0.54 0.62 0.09 0.02 0.00 0.00 175.26 177.26 7i1b n ASN 129 N 2.16 -7.28 -3.75 -0.19 4.13 -1.26 -5.04 115.26 104.04 7i1b n ASN 129 Ca -0.10 0.29 -0.13 0.00 1.68 0.00 0.00 54.58 56.33 7i1b n ASN 129 Cb 0.51 -4.39 -0.14 0.00 -1.54 0.00 0.00 39.78 34.22 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 7i1b s MET 130 N -2.65 0.15 0.59 3.52 1.75 -1.26 -5.03 119.30 116.37 7i1b s MET 130 Ca 0.26 0.42 -0.20 0.00 -1.25 0.00 0.00 55.69 54.92 7i1b s MET 130 Cb -0.06 -0.12 -0.03 0.00 2.84 0.00 0.00 34.83 37.46 7i1b s MET 130 CO 0.80 -0.15 1.28 -2.30 -0.65 0.00 0.00 175.02 174.00 7i1b n PRO 131 N 4.07 1.36 -1.66 4.11 -0.02 -1.26 -2.80 135.00 138.80 7i1b n PRO 131 Ca -0.24 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 7i1b n PRO 131 Cb 0.53 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.58 7i1b n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 7i1b s VAL 132 N -1.35 3.24 0.24 -1.45 1.01 -0.08 -4.73 120.40 117.28 7i1b s VAL 132 Ca 0.76 0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.94 7i1b s VAL 132 Cb -0.41 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 32.82 7i1b s VAL 132 CO 0.45 -0.53 0.95 0.72 0.00 0.00 0.00 175.10 176.70 7i1b s PHE 133 N -3.22 0.06 -0.20 5.22 -0.71 -1.08 -4.89 117.98 113.16 7i1b s PHE 133 Ca 0.60 -0.53 -0.12 0.00 -1.04 0.00 0.00 56.93 55.84 7i1b s PHE 133 Cb -0.13 0.74 -0.05 0.00 -1.21 0.00 0.00 43.02 42.37 7i1b s PHE 133 CO 0.53 -1.11 0.24 -1.17 -1.34 0.00 0.00 175.22 172.37 7i1b s LEU 134 N -3.25 4.18 0.13 -1.99 2.96 -1.26 -1.33 118.68 118.12 7i1b s LEU 134 Ca 0.19 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 7i1b s LEU 134 Cb -0.03 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 7i1b s LEU 134 CO 0.07 0.07 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.24 7i1b s GLY 135 N 0.73 0.99 -0.64 7.98 0.00 -0.29 -4.71 107.32 111.38 7i1b s GLY 135 Ca 0.12 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.46 7i1b s GLY 135 CO 0.03 -1.50 1.53 0.61 0.00 0.00 0.00 173.10 173.77 7i1b n GLY 136 N 0.01 5.79 2.55 0.20 0.00 -1.26 -1.43 105.19 111.05 7i1b n GLY 136 Ca -0.12 -2.64 -0.29 0.00 0.00 0.00 0.00 46.02 42.97 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 -5.28 0.05 -0.40 2.61 2.01 -1.26 -5.01 115.64 108.36 7i1b s THR 137 Ca 0.50 -0.92 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 7i1b s THR 137 Cb 0.41 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.87 7i1b s THR 137 CO -0.29 -0.75 0.96 -1.59 -0.69 0.00 0.00 174.62 172.26 7i1b s LYS 138 N 1.95 3.79 6.29 4.92 0.00 -1.26 -4.66 119.74 130.76 7i1b s LYS 138 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 55.97 56.60 7i1b s LYS 138 Cb -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 37.83 33.83 7i1b s LYS 138 CO -0.32 -1.05 0.00 0.41 0.00 0.00 0.00 175.35 174.39 7i1b n GLY 139 N 4.50 1.94 7.00 0.59 0.00 -1.25 -4.95 105.19 113.02 7i1b n GLY 139 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.70 0.08 -0.02 0.00 -1.26 -2.23 105.19 104.46 7i1b n GLY 140 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 13.18 1.30 -2.61 1.61 0.00 -1.26 -4.97 117.38 124.63 7i1b n GLN 141 Ca 0.00 0.01 -0.36 0.00 -0.00 0.00 0.00 57.00 56.65 7i1b n GLN 141 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 30.24 28.79 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 -5.07 6.82 -0.48 1.69 1.11 -0.95 -4.78 116.67 115.02 7i1b s ASP 142 Ca -0.10 1.96 -0.17 0.00 0.18 0.00 0.00 52.55 54.42 7i1b s ASP 142 Cb 0.05 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.52 7i1b s ASP 142 CO 0.63 -0.44 0.51 -0.63 1.18 0.00 0.00 175.17 176.42 7i1b s ILE 143 N -1.74 5.04 -0.12 0.77 1.01 -1.11 -3.96 121.20 121.09 7i1b s ILE 143 Ca 0.58 -0.71 0.19 0.00 0.00 0.00 0.00 60.65 60.71 7i1b s ILE 143 Cb -0.20 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 37.82 7i1b s ILE 143 CO 0.25 -0.68 0.39 0.35 0.00 0.00 0.00 174.94 175.25 7i1b n THR 144 N 5.43 0.86 -1.14 2.92 -2.24 -1.26 -1.80 114.28 117.05 7i1b n THR 144 Ca -0.09 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.69 7i1b n THR 144 Cb 0.45 -0.37 0.14 0.00 -2.10 0.00 0.00 70.33 68.45 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 -5.23 3.50 0.27 3.42 1.47 -1.26 -4.60 116.67 114.24 7i1b s ASP 145 Ca -0.08 1.61 -0.07 0.00 1.18 0.00 0.00 52.55 55.19 7i1b s ASP 145 Cb 0.09 -2.27 0.03 0.00 -0.34 0.00 0.00 42.92 40.43 7i1b s ASP 145 CO 0.85 -2.64 0.48 0.49 0.68 0.00 0.00 175.17 175.03 7i1b n PHE 146 N -3.89 -1.67 -3.52 2.11 3.72 -0.40 -4.40 117.46 109.40 7i1b n PHE 146 Ca 0.08 -1.45 -0.05 0.00 -0.05 0.00 0.00 57.45 55.98 7i1b n PHE 146 Cb 0.54 0.56 -0.07 0.00 -0.94 0.00 0.00 39.48 39.58 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 -0.76 0.27 4.37 -4.23 -0.06 -1.88 115.64 110.85 7i1b s THR 147 Ca 0.15 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.77 7i1b s THR 147 Cb -0.02 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 7i1b s THR 147 CO 0.11 0.01 0.36 0.00 -0.54 0.00 0.00 174.62 174.55 7i1b s MET 148 N 2.70 3.25 -0.11 3.99 0.23 -1.26 -0.93 119.30 127.16 7i1b s MET 148 Ca 0.04 -0.89 -0.09 0.00 -1.03 0.00 0.00 55.69 53.71 7i1b s MET 148 Cb -0.13 -2.80 0.03 0.00 -1.53 0.00 0.00 34.83 30.40 7i1b s MET 148 CO -0.16 0.32 0.28 -1.14 -2.03 0.00 0.00 175.02 172.29 7i1b s GLN 149 N -4.00 0.31 0.58 3.16 2.00 -0.97 -4.98 119.66 115.76 7i1b s GLN 149 Ca 0.37 0.43 -0.20 0.00 -2.00 0.00 0.00 55.36 53.95 7i1b s GLN 149 Cb -0.09 0.11 -0.04 0.00 0.80 0.00 0.00 33.01 33.80 7i1b s GLN 149 CO 0.29 -0.06 1.26 -0.06 -0.50 0.00 0.00 175.29 176.22 7i1b s PHE 150 N 0.35 2.34 0.02 1.67 0.40 -1.26 -2.13 117.98 119.37 7i1b s PHE 150 Ca -0.02 1.47 -0.13 0.00 -0.60 0.00 0.00 56.93 57.66 7i1b s PHE 150 Cb -0.03 -3.61 0.02 0.00 0.51 0.00 0.00 43.02 39.90 7i1b s PHE 150 CO -0.01 -2.49 0.27 0.14 0.70 0.00 0.00 175.22 173.82 7i1b s VAL 151 N -1.46 0.08 0.00 -0.44 -7.23 -0.82 -4.83 120.40 105.70 7i1b s VAL 151 Ca 0.76 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 7i1b s VAL 151 Cb -0.35 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 35.82 7i1b s VAL 151 CO 0.39 -0.36 0.00 -1.54 -0.31 0.00 0.00 175.10 173.28 7i1b n SER 152 N 0.92 0.00 0.00 4.85 3.41 -1.26 -4.60 113.62 116.94 7i1b n SER 152 Ca -0.20 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 7i1b n SER 152 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 7i1b n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68