#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 0.83 -2.72 0.00 -0.04 -1.26 -4.82 135.00 126.99 7i1b n PRO 2 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 7i1b n PRO 2 Cb 0.00 -1.09 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 7i1b n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 7i1b s VAL 3 N 0.25 2.25 -0.26 0.52 -7.23 -1.26 -5.05 120.40 109.61 7i1b s VAL 3 Ca 0.00 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 7i1b s VAL 3 Cb 0.00 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.48 7i1b s VAL 3 CO 0.00 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.55 7i1b s ARG 4 N -4.94 2.24 0.59 4.82 3.00 -1.26 -5.10 118.95 118.30 7i1b s ARG 4 Ca 0.64 -1.35 -0.07 0.00 0.00 0.00 0.00 55.73 54.95 7i1b s ARG 4 Cb -0.06 -2.90 -0.00 0.00 0.00 0.00 0.00 34.95 31.99 7i1b s ARG 4 CO 0.42 -0.57 0.91 -1.12 0.00 0.00 0.00 175.30 174.94 7i1b s SER 5 N 1.10 5.74 -0.17 0.23 0.01 -1.26 -3.33 113.70 116.01 7i1b s SER 5 Ca -0.09 0.85 -0.04 0.00 1.31 0.00 0.00 55.95 57.98 7i1b s SER 5 Cb -0.20 -1.88 0.08 0.00 0.21 0.00 0.00 66.02 64.23 7i1b s SER 5 CO -0.05 -1.00 0.21 -0.76 0.41 0.00 0.00 173.24 172.05 7i1b s LEU 6 N -5.00 -0.09 0.19 2.44 1.02 0.82 -4.93 118.68 113.12 7i1b s LEU 6 Ca 0.53 -0.08 -0.30 0.00 0.02 0.00 0.00 54.13 54.30 7i1b s LEU 6 Cb -0.11 0.35 -0.08 0.00 0.02 0.00 0.00 46.19 46.38 7i1b s LEU 6 CO 0.47 -0.31 1.16 0.20 0.02 0.00 0.00 176.35 177.89 7i1b s ASN 7 N 2.32 7.15 -0.15 2.29 0.02 -1.26 0.15 114.94 125.45 7i1b s ASN 7 Ca 0.05 2.21 -0.30 0.00 -1.02 0.00 0.00 52.86 53.80 7i1b s ASN 7 Cb -0.15 -2.61 0.11 0.00 0.02 0.00 0.00 41.25 38.63 7i1b s ASN 7 CO -0.11 -0.31 0.93 0.00 0.02 0.00 0.00 177.10 177.64 7i1b s THR 9 N -0.99 5.18 -0.12 0.00 -4.23 -0.91 -1.64 115.64 112.94 7i1b s THR 9 Ca -0.03 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 7i1b s THR 9 Cb -0.01 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 7i1b s THR 9 CO 0.03 -0.27 -0.12 -0.76 -0.54 0.00 0.00 174.62 172.96 7i1b s LEU 10 N -3.77 2.79 0.00 4.79 1.43 -1.26 -2.24 118.68 120.43 7i1b s LEU 10 Ca 0.34 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 7i1b s LEU 10 Cb -0.09 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 7i1b s LEU 10 CO 0.28 0.20 -0.16 -0.60 0.23 0.00 0.00 176.35 176.31 7i1b s ARG 11 N 0.14 1.19 0.52 1.70 3.52 -0.33 -3.30 118.95 122.39 7i1b s ARG 11 Ca -0.06 -0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 54.86 7i1b s ARG 11 Cb -0.15 -1.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.05 7i1b s ARG 11 CO 0.04 0.31 0.84 0.16 -0.81 0.00 0.00 175.30 175.85 7i1b s ASP 12 N -0.59 6.08 0.00 -2.12 -4.77 -0.33 -0.30 116.67 114.64 7i1b s ASP 12 Ca 0.05 0.92 0.10 0.00 -3.30 0.00 0.00 52.55 50.32 7i1b s ASP 12 Cb -0.07 -2.12 0.58 0.00 -1.09 0.00 0.00 42.92 40.22 7i1b s ASP 12 CO 0.00 -0.74 1.14 -1.54 0.70 0.00 0.00 175.17 174.74 7i1b n SER 13 N -2.39 0.00 -0.90 2.11 3.41 -1.26 -1.68 113.62 112.90 7i1b n SER 13 Ca 0.02 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 7i1b n SER 13 Cb 0.56 -0.13 0.27 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.13 2.19 -1.93 4.33 7.27 -1.26 -4.94 117.38 121.92 7i1b n GLN 14 Ca 0.07 -1.79 0.00 0.00 0.07 0.00 0.00 57.00 55.35 7i1b n GLN 14 Cb 0.06 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.24 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 1.03 0.00 -4.13 3.69 7.27 -0.68 -5.07 117.38 119.49 7i1b n GLN 15 Ca 0.18 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.15 7i1b n GLN 15 Cb 0.51 -2.39 -0.10 0.00 2.41 0.00 0.00 30.24 30.66 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 -3.82 0.73 0.35 3.69 1.02 -1.24 -4.56 119.74 115.91 7i1b s LYS 16 Ca 0.00 -1.24 0.09 0.00 0.02 0.00 0.00 55.97 54.84 7i1b s LYS 16 Cb 0.00 -0.09 -0.06 0.00 -0.52 0.00 0.00 37.83 37.16 7i1b s LYS 16 CO 0.00 -0.04 -0.03 -1.12 -0.92 0.00 0.00 175.35 173.24 7i1b s SER 17 N -2.85 3.95 -0.11 2.83 0.01 -0.88 -1.18 113.70 115.47 7i1b s SER 17 Ca 0.08 -1.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.11 7i1b s SER 17 Cb 0.04 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 7i1b s SER 17 CO -0.06 -0.26 0.22 -0.76 0.41 0.00 0.00 173.24 172.80 7i1b s LEU 18 N -3.67 4.36 0.03 2.44 1.43 -1.21 -2.38 118.68 119.69 7i1b s LEU 18 Ca 0.34 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 7i1b s LEU 18 Cb 0.02 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 7i1b s LEU 18 CO 0.18 0.31 -0.15 0.68 0.23 0.00 0.00 176.35 177.60 7i1b s VAL 19 N -0.61 1.20 -0.91 -1.59 -7.23 0.58 -2.71 120.40 109.12 7i1b s VAL 19 Ca 0.16 -0.98 -0.24 0.00 -1.81 0.00 0.00 61.98 59.10 7i1b s VAL 19 Cb -0.13 -1.07 0.04 0.00 0.56 0.00 0.00 36.38 35.79 7i1b s VAL 19 CO 0.05 0.07 1.38 -0.32 -0.31 0.00 0.00 175.10 175.97 7i1b s MET 20 N -1.05 3.43 0.00 4.82 1.75 -1.26 -0.75 119.30 126.24 7i1b s MET 20 Ca 0.03 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.68 7i1b s MET 20 Cb -0.08 -4.89 0.00 0.00 2.84 0.00 0.00 34.83 32.70 7i1b s MET 20 CO 0.01 -2.18 0.00 0.45 -0.65 0.00 0.00 175.02 172.66 7i1b n SER 21 N 9.03 0.00 -3.22 1.11 2.88 -1.11 -4.95 113.62 117.36 7i1b n SER 21 Ca 0.21 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.55 7i1b n SER 21 Cb 0.50 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.13 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 2.62 -2.73 0.52 0.46 0.00 -1.25 -4.91 105.19 99.90 7i1b n GLY 22 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.22 -0.91 1.61 0.11 -2.03 -3.21 132.00 126.35 7i1b h PRO 23 Ca -0.28 0.08 -0.61 0.00 0.11 0.00 0.00 66.00 65.31 7i1b h PRO 23 Cb 0.86 0.28 -0.37 0.00 0.11 0.00 0.00 31.00 31.87 7i1b h PRO 23 CO 0.18 -0.81 -0.14 0.66 -0.21 0.00 0.00 178.00 177.68 7i1b n TYR 24 N -5.64 2.97 -4.15 0.65 4.01 -1.26 -5.00 117.16 108.73 7i1b n TYR 24 Ca -0.16 -2.56 -0.13 0.00 -0.16 0.00 0.00 57.90 54.89 7i1b n TYR 24 Cb 0.51 -0.77 -0.11 0.00 -0.31 0.00 0.00 39.34 38.67 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 -3.70 0.78 0.07 -0.72 2.02 -1.21 -4.34 118.70 111.60 7i1b s GLU 25 Ca 0.56 -1.16 0.02 0.00 0.02 0.00 0.00 54.97 54.41 7i1b s GLU 25 Cb 0.45 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 7i1b s GLU 25 CO -0.00 0.03 -0.07 -0.51 0.02 0.00 0.00 175.26 174.73 7i1b s LEU 26 N -2.54 2.37 0.03 1.80 1.43 -1.26 -2.73 118.68 117.77 7i1b s LEU 26 Ca 0.05 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 7i1b s LEU 26 Cb -0.01 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 7i1b s LEU 26 CO -0.02 -0.33 -0.05 -0.54 0.23 0.00 0.00 176.35 175.65 7i1b s LYS 27 N -2.59 0.38 -0.26 1.70 1.02 0.07 -2.25 119.74 117.80 7i1b s LYS 27 Ca -0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 7i1b s LYS 27 Cb -0.03 -0.10 0.01 0.00 -0.52 0.00 0.00 37.83 37.19 7i1b s LYS 27 CO -0.02 0.01 -0.00 0.00 -0.92 0.00 0.00 175.35 174.41 7i1b s ALA 28 N -1.19 2.87 0.28 5.17 0.00 -1.08 -0.31 121.76 127.49 7i1b s ALA 28 Ca -0.11 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 7i1b s ALA 28 Cb -0.08 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 7i1b s ALA 28 CO -0.00 -0.76 0.36 -0.48 0.00 0.00 0.00 175.76 174.88 7i1b s LEU 29 N 1.43 0.99 0.18 0.00 0.05 -1.00 -3.99 118.68 116.33 7i1b s LEU 29 Ca 0.02 -1.37 -0.31 0.00 0.05 0.00 0.00 54.13 52.53 7i1b s LEU 29 Cb -0.16 1.15 -0.09 0.00 -2.05 0.00 0.00 46.19 45.03 7i1b s LEU 29 CO -0.02 -1.12 1.43 -1.00 -0.55 0.00 0.00 176.35 175.10 7i1b s HIS 30 N -3.60 3.14 -0.23 3.48 3.76 -1.26 -2.06 115.29 118.51 7i1b s HIS 30 Ca 0.32 0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 56.11 7i1b s HIS 30 Cb 0.02 -3.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.92 7i1b s HIS 30 CO 0.17 -2.64 0.03 -1.17 -0.85 0.00 0.00 174.74 170.27 7i1b s LEU 31 N 0.50 3.24 -0.00 0.89 2.96 -1.26 -4.91 118.68 120.09 7i1b s LEU 31 Ca 0.63 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 7i1b s LEU 31 Cb -0.40 -1.85 0.07 0.00 0.50 0.00 0.00 46.19 44.51 7i1b s LEU 31 CO 0.35 -0.02 0.66 -1.58 -1.32 0.00 0.00 176.35 174.45 7i1b s GLN 32 N 1.50 1.11 0.05 1.98 0.74 -1.26 -4.99 119.66 118.80 7i1b s GLN 32 Ca 0.06 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.55 7i1b s GLN 32 Cb -0.15 0.52 0.00 0.00 1.10 0.00 0.00 33.01 34.48 7i1b s GLN 32 CO 0.01 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 7i1b n GLY 33 N 0.59 -1.74 0.00 2.59 0.00 -1.26 -3.74 105.19 101.63 7i1b n GLY 33 Ca -0.18 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.37 7i1b n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 34 N -2.17 0.00 0.00 1.61 7.27 -1.26 -0.57 117.38 122.26 7i1b n GLN 34 Ca -0.00 0.30 0.07 0.00 0.07 0.00 0.00 57.00 57.44 7i1b n GLN 34 Cb 0.09 -1.67 0.44 0.00 2.41 0.00 0.00 30.24 31.51 7i1b n GLN 34 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 7i1b n ASP 35 N -1.29 0.00 0.16 1.69 2.03 -1.25 -2.55 116.55 115.35 7i1b n ASP 35 Ca 0.00 -0.47 0.01 0.00 0.52 0.00 0.00 54.79 54.85 7i1b n ASP 35 Cb 0.17 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.84 7i1b n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 7i1b h MET 36 N 0.00 0.01 0.00 -0.67 -0.00 -1.02 -2.79 114.93 110.45 7i1b h MET 36 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 7i1b h MET 36 CO 0.00 0.49 0.47 1.05 -0.00 0.00 0.00 176.91 178.92 7i1b h GLU 37 N 0.01 0.00 -0.92 -0.10 4.11 -1.76 0.63 114.58 116.55 7i1b h GLU 37 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 7i1b h GLU 37 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 7i1b h GLU 37 CO 0.06 0.00 0.01 0.00 0.07 0.00 0.00 179.01 179.15 7i1b n GLN 38 N -2.42 1.79 -2.86 1.06 10.64 -1.05 -4.83 117.38 119.70 7i1b n GLN 38 Ca -0.01 -0.65 -0.41 0.00 -1.83 0.00 0.00 57.00 54.10 7i1b n GLN 38 Cb 0.50 -1.64 -0.04 0.00 -0.86 0.00 0.00 30.24 28.20 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 7i1b s GLN 39 N -1.34 4.38 0.69 2.61 -2.07 0.22 -4.44 119.66 119.72 7i1b s GLN 39 Ca 0.11 1.11 -0.09 0.00 -1.82 0.00 0.00 55.36 54.68 7i1b s GLN 39 Cb 0.09 -3.53 0.03 0.00 -1.09 0.00 0.00 33.01 28.51 7i1b s GLN 39 CO 0.03 -0.21 1.03 0.08 -1.32 0.00 0.00 175.29 174.90 7i1b s VAL 40 N 1.70 3.01 -0.11 3.63 1.01 -1.10 -5.02 120.40 123.53 7i1b s VAL 40 Ca 0.42 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 7i1b s VAL 40 Cb -0.18 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 32.97 7i1b s VAL 40 CO 0.17 -0.33 0.07 -0.69 0.00 0.00 0.00 175.10 174.32 7i1b s VAL 41 N -3.26 -0.07 0.22 2.92 1.01 -1.26 -4.73 120.40 115.24 7i1b s VAL 41 Ca 0.58 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 7i1b s VAL 41 Cb -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 7i1b s VAL 41 CO 0.48 -0.05 0.50 -0.36 0.00 0.00 0.00 175.10 175.67 7i1b s PHE 42 N 2.14 3.45 -0.69 5.22 0.40 -0.65 -2.41 117.98 125.45 7i1b s PHE 42 Ca 0.03 0.72 -0.16 0.00 -0.60 0.00 0.00 56.93 56.92 7i1b s PHE 42 Cb -0.14 -2.14 0.15 0.00 0.51 0.00 0.00 43.02 41.40 7i1b s PHE 42 CO -0.06 0.29 0.71 0.45 0.70 0.00 0.00 175.22 177.30 7i1b s SER 43 N -2.61 6.42 0.04 1.36 0.15 0.21 -1.20 113.70 118.08 7i1b s SER 43 Ca 0.45 -2.02 -0.30 0.00 0.70 0.00 0.00 55.95 54.78 7i1b s SER 43 Cb -0.11 -2.25 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 7i1b s SER 43 CO 0.25 -0.86 1.21 -0.32 1.20 0.00 0.00 173.24 174.72 7i1b s MET 44 N 1.53 4.41 -0.03 5.44 1.75 0.39 -2.59 119.30 130.20 7i1b s MET 44 Ca 0.13 1.77 0.03 0.00 -1.25 0.00 0.00 55.69 56.37 7i1b s MET 44 Cb -0.19 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.10 7i1b s MET 44 CO -0.01 -0.30 -0.11 -1.12 -0.65 0.00 0.00 175.02 172.83 7i1b s SER 45 N 1.15 1.43 -0.47 1.11 0.01 -0.86 0.29 113.70 116.35 7i1b s SER 45 Ca 0.59 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.33 7i1b s SER 45 Cb -0.29 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.57 7i1b s SER 45 CO 0.28 0.08 1.15 -0.36 0.41 0.00 0.00 173.24 174.80 7i1b s PHE 46 N 0.19 2.80 0.55 2.43 0.08 -1.21 -1.60 117.98 121.22 7i1b s PHE 46 Ca -0.04 0.72 0.06 0.00 0.12 0.00 0.00 56.93 57.79 7i1b s PHE 46 Cb -0.10 -4.42 0.04 0.00 -0.57 0.00 0.00 43.02 37.98 7i1b s PHE 46 CO 0.01 -1.30 0.43 0.14 -0.10 0.00 0.00 175.22 174.40 7i1b s VAL 47 N 4.50 1.65 0.28 -0.44 -7.23 -1.04 -4.65 120.40 113.48 7i1b s VAL 47 Ca 0.49 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 59.02 7i1b s VAL 47 Cb -0.07 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.67 7i1b s VAL 47 CO 0.32 0.00 0.74 -1.58 -0.31 0.00 0.00 175.10 174.27 7i1b s GLN 48 N -4.32 4.13 0.00 4.82 -0.44 0.56 -4.65 119.66 119.77 7i1b s GLN 48 Ca 0.35 0.79 0.00 0.00 -2.50 0.00 0.00 55.36 54.00 7i1b s GLN 48 Cb -0.03 -2.63 0.00 0.00 -1.64 0.00 0.00 33.01 28.72 7i1b s GLN 48 CO 0.22 0.26 0.00 0.41 0.50 0.00 0.00 175.29 176.68 7i1b n GLY 49 N 0.12 -1.76 3.53 2.59 0.00 -1.26 -4.61 105.19 103.80 7i1b n GLY 49 Ca 0.01 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.29 0.43 -2.65 1.61 4.71 -1.26 -4.79 120.64 118.40 7i1b n GLU 50 Ca 0.00 -0.22 -0.43 0.00 -0.01 0.00 0.00 57.16 56.50 7i1b n GLU 50 Cb 0.00 -2.48 0.00 0.00 -1.01 0.00 0.00 31.44 27.95 7i1b n GLU 50 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 7i1b n GLU 51 N 8.04 3.67 0.00 3.49 0.28 -1.26 -4.51 120.64 130.35 7i1b n GLU 51 Ca 0.54 -3.81 0.00 0.00 -0.16 0.00 0.00 57.16 53.73 7i1b n GLU 51 Cb 0.30 -2.87 0.00 0.00 1.43 0.00 0.00 31.44 30.29 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 3.90 0.00 -0.08 -1.84 2.88 -1.21 -4.99 113.62 112.27 7i1b n SER 52 Ca 0.36 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.78 7i1b n SER 52 Cb 0.38 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 7i1b n SER 52 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 7i1b h ASN 53 N 0.00 0.00 0.00 -3.46 2.35 -2.02 -3.43 115.58 109.02 7i1b h ASN 53 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 7i1b h ASN 53 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 7i1b h ASN 53 CO 0.00 1.06 -0.66 0.47 -1.65 0.00 0.00 177.43 176.65 7i1b n ASP 54 N -4.54 1.12 -4.55 5.81 9.92 -1.26 -4.91 116.55 118.13 7i1b n ASP 54 Ca -0.18 -0.50 -0.40 0.00 -0.53 0.00 0.00 54.79 53.18 7i1b n ASP 54 Cb 0.44 1.11 -0.03 0.00 -0.64 0.00 0.00 41.12 41.99 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 -2.00 2.95 -0.42 -1.24 1.02 -1.26 -4.16 119.74 114.63 7i1b s LYS 55 Ca 0.01 0.23 -0.06 0.00 0.02 0.00 0.00 55.97 56.17 7i1b s LYS 55 Cb 0.06 -4.27 0.10 0.00 -0.52 0.00 0.00 37.83 33.20 7i1b s LYS 55 CO 0.34 -2.38 0.25 0.42 -0.92 0.00 0.00 175.35 173.06 7i1b s ILE 56 N 7.28 3.80 0.24 2.17 -1.09 -1.06 -3.36 121.20 129.17 7i1b s ILE 56 Ca 0.52 -1.75 -0.30 0.00 -2.23 0.00 0.00 60.65 56.89 7i1b s ILE 56 Cb -0.11 -3.46 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 7i1b s ILE 56 CO 0.19 -0.62 1.44 -2.16 -1.23 0.00 0.00 174.94 172.55 7i1b s PRO 57 N 1.29 4.28 0.01 2.79 0.05 -1.26 -1.76 135.00 140.40 7i1b s PRO 57 Ca 0.05 2.28 0.00 0.00 0.05 0.00 0.00 61.00 63.38 7i1b s PRO 57 Cb -0.24 -3.12 -0.00 0.00 0.05 0.00 0.00 34.50 31.19 7i1b s PRO 57 CO -0.01 -0.42 0.01 1.33 0.05 0.00 0.00 177.00 177.96 7i1b n VAL 58 N 2.50 0.00 -3.71 -0.36 0.24 -0.92 -2.48 118.33 113.60 7i1b n VAL 58 Ca 0.07 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.12 7i1b n VAL 58 Cb 0.40 0.05 -0.16 0.00 -1.47 0.00 0.00 33.84 32.66 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -1.89 0.02 -0.45 2.33 0.00 -0.63 -2.51 121.76 118.63 7i1b s ALA 59 Ca 0.01 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 7i1b s ALA 59 Cb 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.65 7i1b s ALA 59 CO 0.01 -0.33 0.36 -0.51 0.00 0.00 0.00 175.76 175.29 7i1b s LEU 60 N 1.69 5.44 -0.11 0.00 1.43 -1.26 -2.02 118.68 123.84 7i1b s LEU 60 Ca -0.02 -1.19 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 7i1b s LEU 60 Cb -0.12 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.94 7i1b s LEU 60 CO -0.04 -0.58 -0.15 -0.83 0.23 0.00 0.00 176.35 174.98 7i1b s GLY 61 N 2.28 1.04 -0.15 -3.19 0.00 -1.07 -2.45 107.32 103.78 7i1b s GLY 61 Ca 0.04 -0.74 -0.40 0.00 0.00 0.00 0.00 44.72 43.62 7i1b s GLY 61 CO 0.08 0.30 1.53 1.04 0.00 0.00 0.00 173.10 176.05 7i1b n LEU 62 N 4.32 1.79 -0.07 0.66 4.77 -0.12 0.63 117.00 128.98 7i1b n LEU 62 Ca -0.18 1.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.84 7i1b n LEU 62 Cb 0.51 -1.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.48 7i1b n LEU 62 CO 0.23 -0.82 0.85 0.50 -1.33 0.00 0.00 177.39 176.83 7i1b h LYS 63 N 5.69 0.08 0.37 3.23 3.64 -1.76 -3.13 116.57 124.68 7i1b h LYS 63 Ca -0.47 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 7i1b h LYS 63 Cb 1.34 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 7i1b h LYS 63 CO 0.87 0.05 -0.18 0.93 -2.27 0.00 0.00 179.45 178.86 7i1b h GLU 64 N 0.08 -0.48 -6.11 1.90 5.08 -1.88 -3.45 114.58 109.72 7i1b h GLU 64 Ca 0.14 0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.96 7i1b h GLU 64 Cb 0.18 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 7i1b h GLU 64 CO -0.23 -0.17 -0.53 0.15 -1.00 0.00 0.00 179.01 177.23 7i1b s LYS 65 N -4.77 3.15 0.00 2.33 -0.14 -1.18 -4.98 119.74 114.14 7i1b s LYS 65 Ca -0.14 -0.71 -0.02 0.00 -1.36 0.00 0.00 55.97 53.74 7i1b s LYS 65 Cb 0.02 -2.81 -0.08 0.00 -1.68 0.00 0.00 37.83 33.29 7i1b s LYS 65 CO 0.53 0.52 2.41 0.27 -0.76 0.00 0.00 175.35 178.33 7i1b n ASN 66 N -0.26 5.20 -4.71 2.83 6.94 -1.26 -3.79 115.26 120.20 7i1b n ASN 66 Ca -0.08 -2.40 -0.38 0.00 -0.02 0.00 0.00 54.58 51.71 7i1b n ASN 66 Cb 0.54 -1.19 -0.06 0.00 -2.36 0.00 0.00 39.78 36.71 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 7i1b s LEU 67 N 0.00 4.25 -0.12 -4.53 1.43 -1.26 -2.74 118.68 115.71 7i1b s LEU 67 Ca 0.19 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 7i1b s LEU 67 Cb 0.09 -2.61 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 7i1b s LEU 67 CO 0.00 0.00 -0.20 -0.31 0.23 0.00 0.00 176.35 176.07 7i1b s TYR 68 N 0.73 2.65 0.56 0.29 1.51 -0.72 -0.95 117.35 121.43 7i1b s TYR 68 Ca 0.23 -0.99 -0.21 0.00 -1.01 0.00 0.00 57.07 55.09 7i1b s TYR 68 Cb -0.15 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 7i1b s TYR 68 CO 0.09 -0.40 1.35 -0.51 -1.11 0.00 0.00 175.55 174.96 7i1b s LEU 69 N 0.45 3.80 -0.14 -1.29 1.43 -1.03 -2.56 118.68 119.34 7i1b s LEU 69 Ca -0.14 2.74 -0.10 0.00 -1.03 0.00 0.00 54.13 55.59 7i1b s LEU 69 Cb -0.17 -4.34 0.05 0.00 0.03 0.00 0.00 46.19 41.76 7i1b s LEU 69 CO 0.06 -1.65 0.36 -0.94 0.23 0.00 0.00 176.35 174.41 7i1b s SER 70 N -1.04 -0.41 -0.43 2.29 1.04 -0.05 -4.48 113.70 110.62 7i1b s SER 70 Ca 0.74 0.76 -0.19 0.00 0.48 0.00 0.00 55.95 57.73 7i1b s SER 70 Cb -0.40 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.45 7i1b s SER 70 CO 0.46 -0.16 0.55 0.00 0.98 0.00 0.00 173.24 175.08 7i1b s VAL 72 N 2.51 2.19 -0.03 0.00 -7.23 -0.82 -4.77 120.40 112.24 7i1b s VAL 72 Ca 0.18 -2.06 -0.26 0.00 -1.81 0.00 0.00 61.98 58.03 7i1b s VAL 72 Cb -0.16 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 7i1b s VAL 72 CO 0.16 -0.23 0.82 -0.76 -0.31 0.00 0.00 175.10 174.78 7i1b s LEU 73 N -2.81 4.35 -0.79 1.32 1.43 -1.26 -1.42 118.68 119.51 7i1b s LEU 73 Ca 0.21 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 7i1b s LEU 73 Cb -0.07 -3.29 0.19 0.00 0.03 0.00 0.00 46.19 43.06 7i1b s LEU 73 CO 0.09 -0.16 0.62 0.29 0.23 0.00 0.00 176.35 177.43 7i1b n LYS 74 N 3.73 2.18 -1.69 1.70 5.02 0.51 -4.65 118.16 124.98 7i1b n LYS 74 Ca 0.01 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.81 7i1b n LYS 74 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 7i1b n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 7i1b n ASP 75 N 2.06 -1.65 -0.24 4.39 8.00 -1.26 -3.59 116.55 124.25 7i1b n ASP 75 Ca 0.21 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.68 7i1b n ASP 75 Cb 0.36 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.66 -5.03 -4.10 -2.24 8.00 -1.26 -4.96 116.55 106.30 7i1b n ASP 76 Ca 0.00 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.25 7i1b n ASP 76 Cb 0.41 -2.81 -0.14 0.00 -0.02 0.00 0.00 41.12 38.56 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 7i1b s LYS 77 N -1.80 2.26 0.40 -1.24 2.20 -1.24 -5.07 119.74 115.25 7i1b s LYS 77 Ca 0.00 -1.36 -0.26 0.00 -0.36 0.00 0.00 55.97 53.99 7i1b s LYS 77 Cb 0.00 -3.03 -0.10 0.00 -1.51 0.00 0.00 37.83 33.19 7i1b s LYS 77 CO 0.00 -0.62 1.22 -2.30 -0.36 0.00 0.00 175.35 173.29 7i1b n PRO 78 N 4.49 1.85 -3.80 4.03 -0.02 -1.26 -0.36 135.00 139.93 7i1b n PRO 78 Ca -0.12 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 7i1b n PRO 78 Cb 0.42 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.19 0.02 -0.10 3.45 2.01 -0.50 -4.74 115.64 114.59 7i1b s THR 79 Ca 0.60 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 7i1b s THR 79 Cb -0.53 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 7i1b s THR 79 CO 0.58 -0.09 0.09 -0.22 -0.69 0.00 0.00 174.62 174.30 7i1b s LEU 80 N -2.90 4.09 0.09 4.42 2.96 -1.26 -1.95 118.68 124.12 7i1b s LEU 80 Ca 0.12 0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 54.17 7i1b s LEU 80 Cb -0.01 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.72 7i1b s LEU 80 CO 0.00 0.39 0.48 -1.58 -1.32 0.00 0.00 176.35 174.32 7i1b s GLN 81 N -1.03 1.06 -0.13 1.98 0.74 -0.73 -4.81 119.66 116.74 7i1b s GLN 81 Ca 0.15 -0.44 -0.12 0.00 0.05 0.00 0.00 55.36 55.00 7i1b s GLN 81 Cb -0.12 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.42 7i1b s GLN 81 CO 0.04 -0.40 0.27 -0.51 -0.55 0.00 0.00 175.29 174.13 7i1b s LEU 82 N -2.35 4.30 -0.03 3.68 1.43 -1.26 -0.87 118.68 123.58 7i1b s LEU 82 Ca -0.02 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 7i1b s LEU 82 Cb 0.00 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.92 7i1b s LEU 82 CO -0.07 0.20 -0.01 -0.70 0.23 0.00 0.00 176.35 176.00 7i1b s GLU 83 N -0.06 0.33 -0.06 1.70 2.12 -1.06 -4.97 118.70 116.71 7i1b s GLU 83 Ca 0.16 0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 7i1b s GLU 83 Cb -0.13 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.77 7i1b s GLU 83 CO 0.05 -0.10 1.12 0.45 -0.54 0.00 0.00 175.26 176.24 7i1b s SER 84 N 0.82 7.15 0.00 -1.70 0.15 -1.26 -1.75 113.70 117.11 7i1b s SER 84 Ca -0.08 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.29 7i1b s SER 84 Cb -0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 7i1b s SER 84 CO -0.01 -0.50 0.00 1.33 1.20 0.00 0.00 173.24 175.26 7i1b n VAL 85 N 4.46 0.00 -3.03 4.45 0.24 -1.11 -4.96 118.33 118.38 7i1b n VAL 85 Ca 0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 7i1b n VAL 85 Cb 0.47 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.83 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 -0.92 6.49 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.65 7i1b s ASP 86 Ca 0.00 0.22 0.09 0.00 -0.52 0.00 0.00 52.55 52.35 7i1b s ASP 86 Cb 0.00 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.53 7i1b s ASP 86 CO 0.00 -0.69 1.24 -0.81 0.52 0.00 0.00 175.17 175.43 7i1b n PRO 87 N 6.27 0.07 -0.11 4.34 -0.04 -1.26 -1.25 135.00 143.02 7i1b n PRO 87 Ca 0.01 0.27 -0.19 0.00 -0.04 0.00 0.00 63.50 63.55 7i1b n PRO 87 Cb 0.48 -1.50 -0.12 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 0.66 -0.04 0.54 5.02 -1.26 -4.64 118.16 117.05 7i1b n LYS 88 Ca 0.03 0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 56.31 7i1b n LYS 88 Cb 0.09 -1.55 -0.13 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 -0.06 0.18 -3.80 4.39 2.35 -1.92 -3.46 115.58 113.26 7i1b h ASN 89 Ca -0.56 -0.83 -0.49 0.00 -0.55 0.00 0.00 56.30 53.87 7i1b h ASN 89 Cb 1.90 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 40.20 7i1b h ASN 89 CO -0.08 1.36 0.16 -0.31 -1.65 0.00 0.00 177.43 176.90 7i1b s TYR 90 N -2.36 3.41 1.03 1.19 2.02 -0.38 -4.42 117.35 117.85 7i1b s TYR 90 Ca -0.21 1.22 -0.18 0.00 -0.37 0.00 0.00 57.07 57.53 7i1b s TYR 90 Cb 0.02 -2.56 0.24 0.00 -0.40 0.00 0.00 41.96 39.26 7i1b s TYR 90 CO 0.71 -0.06 1.28 -0.35 -1.57 0.00 0.00 175.55 175.56 7i1b n PRO 91 N -0.89 -1.71 -3.88 -1.71 -0.04 -1.26 -4.65 135.00 120.86 7i1b n PRO 91 Ca 0.04 -1.99 -0.08 0.00 -0.04 0.00 0.00 63.50 61.43 7i1b n PRO 91 Cb 0.54 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 7i1b n PRO 91 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 7i1b s LYS 92 N -5.81 1.66 0.16 0.54 1.02 -1.26 -3.99 119.74 112.06 7i1b s LYS 92 Ca 0.74 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 7i1b s LYS 92 Cb -0.03 0.56 0.03 0.00 -0.52 0.00 0.00 37.83 37.87 7i1b s LYS 92 CO 0.53 -0.74 1.63 -0.22 -0.92 0.00 0.00 175.35 175.64 7i1b h LYS 93 N 2.10 0.89 -6.01 1.68 3.64 -1.95 -3.44 116.57 113.48 7i1b h LYS 93 Ca -0.22 -0.25 -0.62 0.00 -1.27 0.00 0.00 60.65 58.28 7i1b h LYS 93 Cb 1.25 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 7i1b h LYS 93 CO 0.29 0.88 -0.53 0.21 -2.27 0.00 0.00 179.45 178.02 7i1b s LYS 94 N -5.13 3.24 -0.02 1.90 2.20 -1.26 -0.32 119.74 120.34 7i1b s LYS 94 Ca -0.12 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 54.90 7i1b s LYS 94 Cb 0.12 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 7i1b s LYS 94 CO 0.82 0.59 0.11 -1.64 -0.36 0.00 0.00 175.35 174.87 7i1b s MET 95 N -2.50 0.29 0.87 4.03 -1.94 -1.26 -4.96 119.30 113.82 7i1b s MET 95 Ca 0.33 -0.14 -0.12 0.00 -1.71 0.00 0.00 55.69 54.05 7i1b s MET 95 Cb -0.13 0.12 0.11 0.00 2.01 0.00 0.00 34.83 36.95 7i1b s MET 95 CO 0.26 -0.06 1.15 0.39 -0.01 0.00 0.00 175.02 176.75 7i1b n GLU 96 N 2.25 -0.14 -0.32 2.03 1.02 -1.26 -4.63 120.64 119.59 7i1b n GLU 96 Ca -0.18 0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.06 7i1b n GLU 96 Cb 0.57 -2.39 0.26 0.00 -0.02 0.00 0.00 31.44 29.86 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 7i1b h LYS 97 N -1.40 0.95 -0.94 3.49 1.79 -1.92 -0.38 116.57 118.15 7i1b h LYS 97 Ca -0.45 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.10 7i1b h LYS 97 Cb 1.29 -0.21 -0.08 0.00 -1.58 0.00 0.00 32.23 31.64 7i1b h LYS 97 CO 0.43 0.63 0.60 0.07 -1.08 0.00 0.00 179.45 180.10 7i1b h ARG 98 N 0.98 0.80 0.00 3.15 0.11 -1.89 -0.79 114.38 116.74 7i1b h ARG 98 Ca 0.43 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.46 7i1b h ARG 98 Cb 0.35 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.25 7i1b h ARG 98 CO -0.19 0.53 -0.80 1.19 0.10 0.00 0.00 179.97 180.80 7i1b n PHE 99 N -4.59 0.16 -2.82 4.08 3.72 -0.41 -2.83 117.46 114.77 7i1b n PHE 99 Ca 0.18 0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 7i1b n PHE 99 Cb 0.42 -0.33 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 -3.10 4.72 -0.19 -4.37 1.01 -0.29 -4.41 120.40 113.77 7i1b s VAL 100 Ca 0.07 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 7i1b s VAL 100 Cb 0.16 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 7i1b s VAL 100 CO 0.77 -0.25 -0.10 -0.36 0.00 0.00 0.00 175.10 175.16 7i1b s PHE 101 N 3.13 2.88 -0.62 5.22 0.40 -1.04 -2.23 117.98 125.72 7i1b s PHE 101 Ca 0.38 -1.04 -0.28 0.00 -0.60 0.00 0.00 56.93 55.39 7i1b s PHE 101 Cb -0.14 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.41 7i1b s PHE 101 CO 0.11 -0.54 1.35 -0.80 0.70 0.00 0.00 175.22 176.04 7i1b s ASN 102 N 1.19 6.17 -0.61 1.36 0.01 -0.90 -2.17 114.94 119.99 7i1b s ASN 102 Ca 0.02 0.05 -0.28 0.00 -0.71 0.00 0.00 52.86 51.94 7i1b s ASN 102 Cb -0.14 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.99 7i1b s ASN 102 CO -0.04 -1.72 1.31 -0.75 -1.51 0.00 0.00 177.10 174.39 7i1b s LYS 103 N 5.51 3.35 0.18 -0.60 2.20 -0.72 -2.57 119.74 127.08 7i1b s LYS 103 Ca 0.46 0.23 0.05 0.00 -0.36 0.00 0.00 55.97 56.35 7i1b s LYS 103 Cb -0.09 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 7i1b s LYS 103 CO 0.22 -1.90 0.18 0.42 -0.36 0.00 0.00 175.35 173.91 7i1b s ILE 104 N 5.62 4.65 -0.22 5.43 1.01 -0.43 -2.56 121.20 134.71 7i1b s ILE 104 Ca 0.45 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 7i1b s ILE 104 Cb -0.09 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 7i1b s ILE 104 CO 0.23 -0.14 -0.05 -1.61 0.00 0.00 0.00 174.94 173.36 7i1b s GLU 105 N -3.25 3.36 -0.15 2.79 2.02 -1.26 -0.76 118.70 121.44 7i1b s GLU 105 Ca 0.32 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 7i1b s GLU 105 Cb -0.10 -2.98 0.05 0.00 0.10 0.00 0.00 34.13 31.20 7i1b s GLU 105 CO 0.25 -0.20 0.04 0.42 0.02 0.00 0.00 175.26 175.78 7i1b s ILE 106 N 1.47 0.37 -1.02 -1.63 1.09 0.60 -4.85 121.20 117.22 7i1b s ILE 106 Ca 0.06 -0.30 -0.03 0.00 -1.10 0.00 0.00 60.65 59.29 7i1b s ILE 106 Cb -0.14 -0.81 -0.03 0.00 -1.06 0.00 0.00 42.46 40.42 7i1b s ILE 106 CO -0.04 -0.09 0.87 -3.20 -0.10 0.00 0.00 174.94 172.38 7i1b n ASN 107 N 5.12 -4.01 -1.55 3.58 2.85 -1.26 -1.95 115.26 118.05 7i1b n ASN 107 Ca -0.08 -0.60 -0.13 0.00 -0.11 0.00 0.00 54.58 53.66 7i1b n ASN 107 Cb 0.48 -4.73 -0.05 0.00 1.24 0.00 0.00 39.78 36.72 7i1b n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 7i1b n ASN 108 N -2.99 -3.59 -4.40 1.20 0.23 -1.26 -4.91 115.26 99.53 7i1b n ASN 108 Ca -0.17 0.30 -0.21 0.00 -0.53 0.00 0.00 54.58 53.98 7i1b n ASN 108 Cb 0.63 -3.30 -0.10 0.00 -2.08 0.00 0.00 39.78 34.93 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 7i1b s LYS 109 N -3.42 1.48 0.12 -3.83 1.02 -0.82 -5.04 119.74 109.25 7i1b s LYS 109 Ca 0.00 -1.71 0.03 0.00 0.02 0.00 0.00 55.97 54.31 7i1b s LYS 109 Cb 0.00 -1.23 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 7i1b s LYS 109 CO 0.00 0.13 0.14 -0.51 -0.92 0.00 0.00 175.35 174.19 7i1b s LEU 110 N -3.40 3.94 -0.12 3.17 1.43 -0.59 -0.29 118.68 122.81 7i1b s LEU 110 Ca 0.27 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 7i1b s LEU 110 Cb 0.01 -2.57 0.06 0.00 0.03 0.00 0.00 46.19 43.71 7i1b s LEU 110 CO 0.10 0.12 0.14 -1.61 0.23 0.00 0.00 176.35 175.33 7i1b s GLU 111 N -2.76 0.05 -0.37 1.70 2.02 0.06 -0.81 118.70 118.58 7i1b s GLU 111 Ca 0.31 0.31 -0.17 0.00 0.02 0.00 0.00 54.97 55.44 7i1b s GLU 111 Cb -0.11 -0.86 0.00 0.00 0.10 0.00 0.00 34.13 33.26 7i1b s GLU 111 CO 0.24 -0.46 0.47 -0.06 0.02 0.00 0.00 175.26 175.47 7i1b s PHE 112 N 2.24 3.17 -0.16 1.61 0.40 -1.26 -1.31 117.98 122.68 7i1b s PHE 112 Ca 0.04 -0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.26 7i1b s PHE 112 Cb -0.14 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 7i1b s PHE 112 CO -0.07 -0.58 0.12 -2.00 0.70 0.00 0.00 175.22 173.39 7i1b s GLU 113 N 2.28 3.77 -0.38 0.44 2.12 -1.06 -2.27 118.70 123.59 7i1b s GLU 113 Ca 0.16 -0.20 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 7i1b s GLU 113 Cb -0.16 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 7i1b s GLU 113 CO 0.13 0.54 1.92 0.45 -0.54 0.00 0.00 175.26 177.77 7i1b s SER 114 N -0.35 5.60 0.61 -1.70 0.15 -0.51 -2.11 113.70 115.39 7i1b s SER 114 Ca 0.11 1.20 0.21 0.00 0.70 0.00 0.00 55.95 58.17 7i1b s SER 114 Cb -0.12 -2.52 1.12 0.00 -1.71 0.00 0.00 66.02 62.79 7i1b s SER 114 CO 0.01 -1.96 1.61 0.00 1.20 0.00 0.00 173.24 174.10 7i1b h ALA 115 N 14.12 1.47 0.00 5.45 0.00 -1.60 -0.62 119.26 138.08 7i1b h ALA 115 Ca -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 7i1b h ALA 115 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 7i1b h ALA 115 CO 1.06 -0.47 -0.10 0.37 0.00 0.00 0.00 179.25 180.12 7i1b h GLN 116 N 0.00 0.00 -3.74 0.00 4.15 -1.81 -3.42 115.11 110.29 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 0.97 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.31 7i1b h GLN 116 CO 0.00 0.36 -0.41 -0.06 -1.93 0.00 0.00 178.83 176.78 7i1b s PHE 117 N -1.85 3.43 0.82 3.99 0.08 -0.25 -5.09 117.98 119.11 7i1b s PHE 117 Ca -0.08 -2.70 -0.13 0.00 0.12 0.00 0.00 56.93 54.14 7i1b s PHE 117 Cb -0.01 -3.18 0.08 0.00 -0.57 0.00 0.00 43.02 39.34 7i1b s PHE 117 CO 0.26 -0.86 1.11 -2.30 -0.10 0.00 0.00 175.22 173.33 7i1b n PRO 118 N 3.65 0.13 0.00 0.24 -0.02 -1.18 -2.30 135.00 135.51 7i1b n PRO 118 Ca 0.06 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 7i1b n PRO 118 Cb 0.38 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 -3.02 0.00 -4.36 2.55 5.03 -1.26 -4.97 115.26 109.23 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.21 7i1b n ASN 119 Cb 0.51 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.14 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 -2.25 3.12 0.48 3.10 0.52 -0.97 -4.62 118.94 118.33 7i1b s TRP 120 Ca 0.00 -0.89 0.02 0.00 0.02 0.00 0.00 56.10 55.25 7i1b s TRP 120 Cb 0.00 -2.24 0.02 0.00 -1.15 0.00 0.00 33.47 30.10 7i1b s TRP 120 CO 0.00 -0.54 0.18 0.66 0.02 0.00 0.00 176.95 177.26 7i1b n TYR 121 N 4.87 0.27 -3.10 -1.98 4.02 -0.88 -1.42 117.16 118.94 7i1b n TYR 121 Ca -0.15 -2.22 -0.40 0.00 -0.01 0.00 0.00 57.90 55.11 7i1b n TYR 121 Cb 0.49 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 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 -2.60 5.01 0.24 -0.72 1.01 -0.96 -1.65 121.20 121.53 7i1b s ILE 122 Ca 0.13 1.23 0.03 0.00 0.00 0.00 0.00 60.65 62.04 7i1b s ILE 122 Cb -0.01 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 7i1b s ILE 122 CO 0.08 0.10 0.02 -0.44 0.00 0.00 0.00 174.94 174.71 7i1b s SER 123 N 1.20 1.74 0.12 3.58 0.01 -0.63 -4.52 113.70 115.20 7i1b s SER 123 Ca 0.30 -1.26 0.04 0.00 1.31 0.00 0.00 55.95 56.33 7i1b s SER 123 Cb -0.16 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 7i1b s SER 123 CO 0.10 -0.57 -0.10 0.42 0.41 0.00 0.00 173.24 173.51 7i1b s THR 124 N -3.48 1.04 -0.20 1.44 -4.23 -0.93 -2.64 115.64 106.64 7i1b s THR 124 Ca 0.31 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.74 7i1b s THR 124 Cb 0.06 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 7i1b s THR 124 CO 0.10 -0.68 0.60 -0.55 -0.54 0.00 0.00 174.62 173.55 7i1b s SER 125 N -2.85 6.64 0.54 3.99 0.15 -1.26 -2.73 113.70 118.18 7i1b s SER 125 Ca 0.12 0.78 0.37 0.00 0.70 0.00 0.00 55.95 57.92 7i1b s SER 125 Cb 0.01 -2.33 1.56 0.00 -1.71 0.00 0.00 66.02 63.54 7i1b s SER 125 CO -0.00 -0.25 1.80 -0.61 1.20 0.00 0.00 173.24 175.37 7i1b h GLN 126 N 7.50 0.00 -6.44 5.44 4.15 -1.98 -3.42 115.11 120.37 7i1b h GLN 126 Ca -0.32 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.62 7i1b h GLN 126 Cb 1.15 0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.08 7i1b h GLN 126 CO 0.76 0.00 -1.55 0.00 -1.93 0.00 0.00 178.83 176.11 7i1b n ALA 127 N -2.78 -4.54 -2.36 3.38 0.00 -1.26 -4.93 120.51 108.02 7i1b n ALA 127 Ca 0.26 -1.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.19 7i1b n ALA 127 Cb 1.28 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.93 3.93 -0.65 0.00 0.41 -1.26 -4.50 118.70 113.70 7i1b s GLU 128 Ca 0.49 0.44 -0.15 0.00 -0.41 0.00 0.00 54.97 55.34 7i1b s GLU 128 Cb -0.07 -2.83 0.02 0.00 -1.78 0.00 0.00 34.13 29.47 7i1b s GLU 128 CO 0.68 0.42 0.64 0.09 -0.49 0.00 0.00 175.26 176.59 7i1b n ASN 129 N 0.50 -5.65 -4.13 -0.19 5.03 -1.26 -4.99 115.26 104.57 7i1b n ASN 129 Ca -0.03 -0.46 -0.20 0.00 0.87 0.00 0.00 54.58 54.76 7i1b n ASN 129 Cb 0.52 -2.35 -0.13 0.00 -1.02 0.00 0.00 39.78 36.79 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 7i1b s MET 130 N -3.66 0.91 0.41 3.52 -1.94 -1.26 -4.99 119.30 112.30 7i1b s MET 130 Ca 0.16 -0.71 -0.26 0.00 -1.71 0.00 0.00 55.69 53.17 7i1b s MET 130 Cb -0.02 -0.90 -0.08 0.00 2.01 0.00 0.00 34.83 35.83 7i1b s MET 130 CO 0.86 0.22 1.29 -1.25 -0.01 0.00 0.00 175.02 176.13 7i1b s PRO 131 N -1.05 3.93 0.60 2.03 0.04 -1.26 -2.64 135.00 136.65 7i1b s PRO 131 Ca 0.01 2.11 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 7i1b s PRO 131 Cb -0.07 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 7i1b s PRO 131 CO 0.01 -0.51 1.03 0.08 0.04 0.00 0.00 177.00 177.65 7i1b s VAL 132 N -1.29 4.36 0.32 -0.36 1.01 -0.96 -4.63 120.40 118.85 7i1b s VAL 132 Ca 0.58 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 7i1b s VAL 132 Cb -0.37 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.43 7i1b s VAL 132 CO 0.47 -0.86 0.88 0.72 0.00 0.00 0.00 175.10 176.32 7i1b s PHE 133 N -2.88 0.11 -0.22 5.22 -0.71 -1.08 -4.86 117.98 113.56 7i1b s PHE 133 Ca 0.58 -0.69 -0.11 0.00 -1.04 0.00 0.00 56.93 55.67 7i1b s PHE 133 Cb -0.12 0.79 -0.05 0.00 -1.21 0.00 0.00 43.02 42.43 7i1b s PHE 133 CO 0.45 -1.35 0.17 -1.17 -1.34 0.00 0.00 175.22 171.99 7i1b s LEU 134 N -3.20 4.17 0.10 -1.99 2.96 -1.26 -1.61 118.68 117.86 7i1b s LEU 134 Ca 0.18 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 7i1b s LEU 134 Cb -0.04 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 7i1b s LEU 134 CO 0.09 0.11 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.28 7i1b s GLY 135 N 0.72 0.92 -0.64 7.98 0.00 -0.66 -4.68 107.32 110.96 7i1b s GLY 135 Ca 0.09 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.63 7i1b s GLY 135 CO 0.02 -1.26 1.50 0.61 0.00 0.00 0.00 173.10 173.98 7i1b n GLY 136 N 0.65 5.80 2.60 0.20 0.00 -1.26 -2.06 105.19 111.11 7i1b n GLY 136 Ca -0.17 -2.65 -0.29 0.00 0.00 0.00 0.00 46.02 42.92 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 -5.23 0.96 -0.52 2.61 2.01 -1.26 -5.02 115.64 109.19 7i1b s THR 137 Ca 0.49 -2.44 -0.27 0.00 0.31 0.00 0.00 61.69 59.79 7i1b s THR 137 Cb 0.40 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 7i1b s THR 137 CO -0.28 -0.99 2.02 -0.54 -0.69 0.00 0.00 174.62 174.14 7i1b s LYS 138 N 0.40 2.61 4.45 4.92 3.01 -1.26 -4.56 119.74 129.31 7i1b s LYS 138 Ca 0.21 1.01 0.00 0.00 -1.01 0.00 0.00 55.97 56.18 7i1b s LYS 138 Cb -0.18 -4.41 0.00 0.00 -1.01 0.00 0.00 37.83 32.23 7i1b s LYS 138 CO -0.04 -2.72 0.00 0.41 0.51 0.00 0.00 175.35 173.51 7i1b n GLY 139 N 5.74 1.64 7.00 -3.33 0.00 -1.26 -4.98 105.19 110.01 7i1b n GLY 139 Ca 0.26 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 3.08 0.08 -0.02 0.00 -1.26 -2.23 105.19 104.84 7i1b n GLY 140 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 12.90 1.37 -2.75 1.61 0.00 -1.26 -4.96 117.38 124.29 7i1b n GLN 141 Ca 0.00 -0.01 -0.39 0.00 -0.00 0.00 0.00 57.00 56.60 7i1b n GLN 141 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 30.24 28.77 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -4.97 7.57 -0.47 1.69 1.11 -0.95 -4.65 116.67 116.00 7i1b s ASP 142 Ca -0.08 1.93 -0.20 0.00 0.18 0.00 0.00 52.55 54.38 7i1b s ASP 142 Cb 0.05 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.47 7i1b s ASP 142 CO 0.66 0.10 0.66 -0.63 1.18 0.00 0.00 175.17 177.14 7i1b s ILE 143 N -1.28 4.81 -0.13 0.77 1.01 -1.11 -3.98 121.20 121.30 7i1b s ILE 143 Ca 0.43 -0.10 0.18 0.00 0.00 0.00 0.00 60.65 61.17 7i1b s ILE 143 Cb -0.24 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.77 7i1b s ILE 143 CO 0.30 -0.71 0.59 0.35 0.00 0.00 0.00 174.94 175.47 7i1b n THR 144 N 5.79 0.97 -1.07 2.92 -2.24 -1.26 -2.18 114.28 117.21 7i1b n THR 144 Ca -0.03 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.76 7i1b n THR 144 Cb 0.47 -0.51 0.14 0.00 -2.10 0.00 0.00 70.33 68.33 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.44 3.47 0.18 3.42 1.47 -1.26 -4.63 116.67 113.87 7i1b s ASP 145 Ca -0.05 1.73 -0.05 0.00 1.18 0.00 0.00 52.55 55.36 7i1b s ASP 145 Cb 0.09 -2.37 0.02 0.00 -0.34 0.00 0.00 42.92 40.32 7i1b s ASP 145 CO 0.83 -2.68 0.32 0.49 0.68 0.00 0.00 175.17 174.82 7i1b n PHE 146 N -3.93 -1.36 -3.61 2.11 3.72 0.01 -4.28 117.46 110.12 7i1b n PHE 146 Ca 0.08 -0.99 -0.05 0.00 -0.05 0.00 0.00 57.45 56.44 7i1b n PHE 146 Cb 0.54 0.37 -0.07 0.00 -0.94 0.00 0.00 39.48 39.38 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 -2.59 -0.78 0.27 4.37 -4.23 0.58 -1.55 115.64 111.71 7i1b s THR 147 Ca 0.10 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 7i1b s THR 147 Cb -0.02 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 7i1b s THR 147 CO 0.07 0.03 0.50 -0.32 -0.54 0.00 0.00 174.62 174.36 7i1b s MET 148 N 2.72 3.56 -0.10 3.99 1.75 -1.26 -1.19 119.30 128.77 7i1b s MET 148 Ca -0.01 -0.18 -0.05 0.00 -1.25 0.00 0.00 55.69 54.20 7i1b s MET 148 Cb -0.12 -2.71 0.05 0.00 2.84 0.00 0.00 34.83 34.88 7i1b s MET 148 CO -0.15 0.26 0.22 -1.14 -0.65 0.00 0.00 175.02 173.56 7i1b s GLN 149 N -3.64 0.17 0.68 4.11 0.74 -0.95 -4.98 119.66 115.79 7i1b s GLN 149 Ca 0.41 0.51 -0.17 0.00 0.05 0.00 0.00 55.36 56.17 7i1b s GLN 149 Cb -0.11 -0.13 0.01 0.00 1.10 0.00 0.00 33.01 33.88 7i1b s GLN 149 CO 0.31 -0.18 1.25 -0.06 -0.55 0.00 0.00 175.29 176.06 7i1b s PHE 150 N 1.36 2.10 0.05 1.67 0.40 -1.26 -2.13 117.98 120.17 7i1b s PHE 150 Ca -0.08 1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 57.66 7i1b s PHE 150 Cb -0.11 -3.57 0.02 0.00 0.51 0.00 0.00 43.02 39.86 7i1b s PHE 150 CO -0.08 -2.70 0.28 0.14 0.70 0.00 0.00 175.22 173.55 7i1b s VAL 151 N -1.67 0.09 -0.13 -0.44 -7.23 -1.09 -4.82 120.40 105.11 7i1b s VAL 151 Ca 0.78 -0.76 -0.32 0.00 -1.81 0.00 0.00 61.98 59.87 7i1b s VAL 151 Cb -0.33 -0.99 0.13 0.00 0.56 0.00 0.00 36.38 35.75 7i1b s VAL 151 CO 0.41 -0.42 1.09 -0.55 -0.31 0.00 0.00 175.10 175.32 7i1b s SER 152 N -2.19 -0.24 0.00 4.85 0.15 -1.26 -4.66 113.70 110.35 7i1b s SER 152 Ca -0.03 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.67 7i1b s SER 152 Cb -0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 7i1b s SER 152 CO -0.05 -0.36 0.00 -1.20 1.20 0.00 0.00 173.24 172.83