#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 -4.18 0.00 -0.04 -1.26 -4.72 135.00 125.44 7i1b n PRO 2 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 7i1b n PRO 2 Cb 0.00 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.49 0.00 -0.18 0.52 -7.23 -1.26 -4.80 120.40 107.94 7i1b s VAL 3 Ca 0.00 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.24 7i1b s VAL 3 Cb 0.00 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.53 7i1b s VAL 3 CO 0.00 0.00 0.06 -0.13 -0.31 0.00 0.00 175.10 174.72 7i1b s ARG 4 N -3.96 0.40 0.45 4.82 3.00 -1.26 -5.07 118.95 117.33 7i1b s ARG 4 Ca 0.37 -0.26 -0.10 0.00 0.00 0.00 0.00 55.73 55.73 7i1b s ARG 4 Cb 0.05 -1.95 -0.06 0.00 0.00 0.00 0.00 34.95 32.99 7i1b s ARG 4 CO 0.15 -0.64 0.82 -1.12 0.00 0.00 0.00 175.30 174.51 7i1b s SER 5 N 1.98 6.45 -0.04 0.23 0.01 -1.26 -3.16 113.70 117.90 7i1b s SER 5 Ca 0.00 1.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.41 7i1b s SER 5 Cb -0.16 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.75 7i1b s SER 5 CO -0.08 -0.50 0.07 -0.22 0.41 0.00 0.00 173.24 172.91 7i1b s LEU 6 N -4.19 0.17 0.31 2.44 1.98 0.26 -4.96 118.68 114.70 7i1b s LEU 6 Ca 0.52 0.10 -0.28 0.00 -2.89 0.00 0.00 54.13 51.58 7i1b s LEU 6 Cb -0.10 -0.09 -0.09 0.00 0.66 0.00 0.00 46.19 46.56 7i1b s LEU 6 CO 0.36 -0.24 1.08 0.20 -1.89 0.00 0.00 176.35 175.86 7i1b s ASN 7 N 2.12 7.15 -0.24 3.68 0.02 -1.26 0.98 114.94 127.39 7i1b s ASN 7 Ca 0.04 2.19 -0.30 0.00 -1.02 0.00 0.00 52.86 53.77 7i1b s ASN 7 Cb -0.12 -2.61 0.17 0.00 0.02 0.00 0.00 41.25 38.70 7i1b s ASN 7 CO -0.03 -0.22 1.23 0.00 0.02 0.00 0.00 177.10 178.10 7i1b s THR 9 N -1.16 2.06 -0.03 0.00 -4.23 -0.99 -1.25 115.64 110.05 7i1b s THR 9 Ca 0.06 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 7i1b s THR 9 Cb -0.01 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.78 7i1b s THR 9 CO -0.05 0.00 0.00 -0.76 -0.54 0.00 0.00 174.62 173.27 7i1b s LEU 10 N -4.73 1.20 0.07 4.79 1.43 -1.26 -2.46 118.68 117.71 7i1b s LEU 10 Ca 0.63 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 7i1b s LEU 10 Cb -0.05 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.93 7i1b s LEU 10 CO 0.40 -0.10 -0.11 -0.13 0.23 0.00 0.00 176.35 176.65 7i1b s ARG 11 N 0.97 0.71 0.00 1.70 0.52 -0.80 -3.37 118.95 118.68 7i1b s ARG 11 Ca -0.10 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 7i1b s ARG 11 Cb -0.13 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.81 7i1b s ARG 11 CO -0.02 0.10 0.00 -0.40 0.02 0.00 0.00 175.30 175.00 7i1b n ASP 12 N 1.13 0.00 0.21 0.23 5.75 -0.84 -1.06 116.55 121.96 7i1b n ASP 12 Ca -0.20 -0.59 0.08 0.00 -0.01 0.00 0.00 54.79 54.07 7i1b n ASP 12 Cb 0.55 0.00 0.41 0.00 -1.03 0.00 0.00 41.12 41.06 7i1b n ASP 12 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 7i1b h SER 13 N 0.00 0.00 -0.06 -1.12 4.64 -1.90 -2.53 113.55 112.58 7i1b h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7i1b h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 7i1b h SER 13 CO 0.00 0.29 0.00 1.67 -0.87 0.00 0.00 176.83 177.92 7i1b n GLN 14 N -3.50 1.68 -0.79 4.77 -0.06 -1.26 -4.90 117.38 113.32 7i1b n GLN 14 Ca -0.00 -0.99 0.00 0.00 -2.00 0.00 0.00 57.00 54.01 7i1b n GLN 14 Cb 0.45 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 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 0.20 0.00 -2.03 3.69 7.27 -0.95 -5.02 117.38 120.55 7i1b n GLN 15 Ca 0.18 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.87 7i1b n GLN 15 Cb 0.34 -2.15 0.01 0.00 2.41 0.00 0.00 30.24 30.85 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 -0.21 3.70 0.31 3.69 1.02 -1.26 -4.68 119.74 122.31 7i1b s LYS 16 Ca 0.00 2.10 0.06 0.00 0.02 0.00 0.00 55.97 58.15 7i1b s LYS 16 Cb 0.00 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 7i1b s LYS 16 CO 0.00 -0.69 0.39 -1.12 -0.92 0.00 0.00 175.35 173.01 7i1b s SER 17 N -0.93 5.89 -0.12 2.83 0.01 -0.84 -1.99 113.70 118.55 7i1b s SER 17 Ca 0.62 -0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.62 7i1b s SER 17 Cb -0.37 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 7i1b s SER 17 CO 0.46 -0.31 0.12 -0.76 0.41 0.00 0.00 173.24 173.15 7i1b s LEU 18 N -4.08 4.26 0.03 2.44 1.43 -1.22 -2.42 118.68 119.12 7i1b s LEU 18 Ca 0.41 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 7i1b s LEU 18 Cb -0.09 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 7i1b s LEU 18 CO 0.29 0.38 -0.11 0.68 0.23 0.00 0.00 176.35 177.82 7i1b s VAL 19 N -0.88 0.88 -0.95 -1.59 -7.23 0.07 -2.62 120.40 108.09 7i1b s VAL 19 Ca 0.14 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.27 7i1b s VAL 19 Cb -0.12 -0.81 0.08 0.00 0.56 0.00 0.00 36.38 36.10 7i1b s VAL 19 CO 0.03 -0.01 1.28 0.00 -0.31 0.00 0.00 175.10 176.09 7i1b s MET 20 N -0.94 3.55 -0.02 4.82 0.23 -1.26 -0.27 119.30 125.40 7i1b s MET 20 Ca 0.00 -1.33 -0.04 0.00 -1.03 0.00 0.00 55.69 53.29 7i1b s MET 20 Cb -0.07 -5.06 -0.02 0.00 -1.53 0.00 0.00 34.83 28.15 7i1b s MET 20 CO 0.01 -2.00 0.33 1.03 -2.03 0.00 0.00 175.02 172.35 7i1b h SER 21 N 9.40 -0.12 -2.24 -1.18 0.87 -1.79 -3.47 113.55 115.00 7i1b h SER 21 Ca 0.13 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.23 7i1b h SER 21 Cb 1.02 0.03 0.09 0.00 -0.44 0.00 0.00 62.40 63.10 7i1b h SER 21 CO 1.27 0.06 0.14 -0.83 -0.53 0.00 0.00 176.83 176.94 7i1b s GLY 22 N -2.30 1.76 0.05 5.77 0.00 -0.89 -4.98 107.32 106.73 7i1b s GLY 22 Ca -0.02 -1.73 -0.25 0.00 0.00 0.00 0.00 44.72 42.73 7i1b s GLY 22 CO 0.06 -1.13 1.38 -2.55 0.00 0.00 0.00 173.10 170.86 7i1b h PRO 23 N -0.65 -0.74 -0.75 2.90 0.11 -2.03 -3.15 132.00 127.70 7i1b h PRO 23 Ca -0.36 0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.33 7i1b h PRO 23 Cb 1.26 0.17 -0.26 0.00 0.11 0.00 0.00 31.00 32.28 7i1b h PRO 23 CO 0.39 -0.49 0.20 0.66 -0.21 0.00 0.00 178.00 178.55 7i1b n TYR 24 N -4.45 2.42 -4.04 0.65 4.01 -1.26 -4.95 117.16 109.55 7i1b n TYR 24 Ca -0.09 -2.19 -0.18 0.00 -0.16 0.00 0.00 57.90 55.28 7i1b n TYR 24 Cb 0.33 -0.84 -0.16 0.00 -0.31 0.00 0.00 39.34 38.36 7i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 7i1b s GLU 25 N -3.50 0.52 0.18 -0.72 2.02 -1.19 -4.19 118.70 111.82 7i1b s GLU 25 Ca 0.54 -0.01 0.07 0.00 0.02 0.00 0.00 54.97 55.60 7i1b s GLU 25 Cb 0.45 -0.62 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 7i1b s GLU 25 CO 0.02 -0.10 0.01 -0.51 0.02 0.00 0.00 175.26 174.70 7i1b s LEU 26 N 0.91 3.32 -0.01 1.80 1.43 -1.26 -2.09 118.68 122.79 7i1b s LEU 26 Ca -0.10 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 7i1b s LEU 26 Cb -0.14 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 7i1b s LEU 26 CO -0.01 0.08 -0.07 -0.54 0.23 0.00 0.00 176.35 176.04 7i1b s LYS 27 N -3.02 0.63 -0.22 1.70 1.02 0.63 -2.13 119.74 118.35 7i1b s LYS 27 Ca 0.28 -0.26 -0.06 0.00 0.02 0.00 0.00 55.97 55.94 7i1b s LYS 27 Cb -0.09 -0.61 -0.03 0.00 -0.52 0.00 0.00 37.83 36.58 7i1b s LYS 27 CO 0.19 0.15 0.04 0.00 -0.92 0.00 0.00 175.35 174.80 7i1b s ALA 28 N -0.11 3.11 0.36 5.17 0.00 -1.12 -0.75 121.76 128.42 7i1b s ALA 28 Ca 0.02 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 7i1b s ALA 28 Cb -0.04 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.19 7i1b s ALA 28 CO -0.00 -0.31 0.68 -0.48 0.00 0.00 0.00 175.76 175.65 7i1b s LEU 29 N 1.28 0.31 0.24 0.00 0.05 -1.02 -4.01 118.68 115.53 7i1b s LEU 29 Ca 0.04 -1.22 -0.30 0.00 0.05 0.00 0.00 54.13 52.71 7i1b s LEU 29 Cb -0.15 2.40 -0.09 0.00 -2.05 0.00 0.00 46.19 46.31 7i1b s LEU 29 CO 0.02 -1.54 1.14 -1.00 -0.55 0.00 0.00 176.35 174.42 7i1b s HIS 30 N -2.65 3.51 -0.08 3.48 3.76 -1.26 -1.99 115.29 120.06 7i1b s HIS 30 Ca 0.20 1.59 -0.03 0.00 -0.15 0.00 0.00 55.06 56.66 7i1b s HIS 30 Cb -0.04 -3.35 0.04 0.00 1.11 0.00 0.00 32.58 30.35 7i1b s HIS 30 CO 0.14 -0.82 0.15 -1.17 -0.85 0.00 0.00 174.74 172.19 7i1b s LEU 31 N -0.91 0.05 0.05 0.89 2.96 -1.26 -4.92 118.68 115.53 7i1b s LEU 31 Ca 0.48 0.31 -0.23 0.00 -0.22 0.00 0.00 54.13 54.47 7i1b s LEU 31 Cb -0.32 0.26 0.05 0.00 0.50 0.00 0.00 46.19 46.68 7i1b s LEU 31 CO 0.39 -0.23 0.53 -1.58 -1.32 0.00 0.00 176.35 174.14 7i1b s GLN 32 N 2.13 1.05 0.28 1.98 0.74 -1.26 -4.90 119.66 119.68 7i1b s GLN 32 Ca 0.02 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.20 7i1b s GLN 32 Cb -0.12 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.47 7i1b s GLN 32 CO -0.06 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 7i1b n GLY 33 N 0.38 -2.32 0.03 2.59 0.00 -1.26 -4.07 105.19 100.54 7i1b n GLY 33 Ca -0.18 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.11 0.02 0.00 1.61 7.27 -1.26 0.02 117.38 124.93 7i1b n GLN 34 Ca 0.00 0.41 0.14 0.00 0.07 0.00 0.00 57.00 57.61 7i1b n GLN 34 Cb 0.00 -1.71 0.80 0.00 2.41 0.00 0.00 30.24 31.74 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 -1.50 0.00 0.00 1.69 2.03 -1.26 -3.46 116.55 114.05 7i1b n ASP 35 Ca -0.00 -0.71 0.02 0.00 0.52 0.00 0.00 54.79 54.62 7i1b n ASP 35 Cb 0.15 -0.06 0.13 0.00 -0.72 0.00 0.00 41.12 40.62 7i1b n ASP 35 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 7i1b n MET 36 N -1.06 0.29 0.06 -0.67 1.56 0.10 -2.18 117.12 115.22 7i1b n MET 36 Ca 0.19 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.60 7i1b n MET 36 Cb 0.12 -1.24 -0.07 0.00 2.15 0.00 0.00 33.22 34.18 7i1b n MET 36 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 7i1b h GLU 37 N 0.00 0.00 -0.99 2.12 4.11 -1.82 -3.28 114.58 114.72 7i1b h GLU 37 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 7i1b h GLU 37 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 7i1b h GLU 37 CO 0.00 0.56 0.01 0.00 0.07 0.00 0.00 179.01 179.66 7i1b n GLN 38 N -3.13 1.11 -3.50 1.06 10.64 -0.93 -4.82 117.38 117.81 7i1b n GLN 38 Ca -0.05 -0.12 -0.32 0.00 -1.83 0.00 0.00 57.00 54.67 7i1b n GLN 38 Cb 0.87 -1.29 -0.05 0.00 -0.86 0.00 0.00 30.24 28.91 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 -0.61 3.74 0.35 2.61 0.00 -1.24 -4.57 119.66 119.94 7i1b s GLN 39 Ca 0.02 0.16 0.07 0.00 -0.00 0.00 0.00 55.36 55.61 7i1b s GLN 39 Cb 0.02 -2.72 -0.01 0.00 0.00 0.00 0.00 33.01 30.30 7i1b s GLN 39 CO 0.01 0.37 0.48 0.08 0.00 0.00 0.00 175.29 176.23 7i1b s VAL 40 N -1.75 3.92 -0.09 3.63 1.01 -1.08 -4.96 120.40 121.08 7i1b s VAL 40 Ca 0.45 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 7i1b s VAL 40 Cb -0.12 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 32.95 7i1b s VAL 40 CO 0.22 -0.14 0.06 -0.69 0.00 0.00 0.00 175.10 174.56 7i1b s VAL 41 N -2.20 -0.04 0.44 2.92 1.01 -1.26 -4.72 120.40 116.55 7i1b s VAL 41 Ca 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 7i1b s VAL 41 Cb -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 7i1b s VAL 41 CO 0.31 0.03 0.68 -0.36 0.00 0.00 0.00 175.10 175.76 7i1b s PHE 42 N 2.13 3.32 -0.35 5.22 0.40 -0.38 -1.96 117.98 126.37 7i1b s PHE 42 Ca 0.04 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.75 7i1b s PHE 42 Cb -0.13 -2.26 0.10 0.00 0.51 0.00 0.00 43.02 41.23 7i1b s PHE 42 CO -0.05 -0.29 0.07 0.45 0.70 0.00 0.00 175.22 176.10 7i1b s SER 43 N -4.17 4.86 0.08 1.36 0.15 0.20 -1.00 113.70 115.18 7i1b s SER 43 Ca 0.47 -2.03 -0.31 0.00 0.70 0.00 0.00 55.95 54.78 7i1b s SER 43 Cb -0.10 -1.67 -0.08 0.00 -1.71 0.00 0.00 66.02 62.46 7i1b s SER 43 CO 0.39 -0.40 1.49 -0.32 1.20 0.00 0.00 173.24 175.60 7i1b s MET 44 N 0.99 4.26 -0.24 5.44 1.75 0.28 -2.67 119.30 129.10 7i1b s MET 44 Ca 0.08 2.15 -0.01 0.00 -1.25 0.00 0.00 55.69 56.66 7i1b s MET 44 Cb -0.20 -3.42 0.03 0.00 2.84 0.00 0.00 34.83 34.07 7i1b s MET 44 CO -0.07 -0.58 -0.07 -1.12 -0.65 0.00 0.00 175.02 172.53 7i1b s SER 45 N 1.69 4.24 -0.57 1.11 0.01 -0.70 0.92 113.70 120.40 7i1b s SER 45 Ca 0.68 -0.88 -0.28 0.00 1.31 0.00 0.00 55.95 56.78 7i1b s SER 45 Cb -0.37 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.23 7i1b s SER 45 CO 0.30 -0.12 1.42 -0.36 0.41 0.00 0.00 173.24 174.89 7i1b s PHE 46 N 1.31 2.27 0.65 2.43 0.08 -1.19 -0.67 117.98 122.86 7i1b s PHE 46 Ca 0.00 0.46 0.07 0.00 0.12 0.00 0.00 56.93 57.57 7i1b s PHE 46 Cb -0.16 -4.39 0.11 0.00 -0.57 0.00 0.00 43.02 38.01 7i1b s PHE 46 CO -0.05 -1.99 0.89 0.14 -0.10 0.00 0.00 175.22 174.11 7i1b s VAL 47 N 6.13 2.02 0.14 -0.44 -7.23 -1.09 -4.45 120.40 115.49 7i1b s VAL 47 Ca 0.52 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.77 7i1b s VAL 47 Cb -0.11 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 7i1b s VAL 47 CO 0.24 0.00 0.38 -1.58 -0.31 0.00 0.00 175.10 173.83 7i1b s GLN 48 N -4.87 3.61 0.00 4.82 -0.44 0.05 -4.80 119.66 118.03 7i1b s GLN 48 Ca 0.65 -0.10 0.00 0.00 -2.50 0.00 0.00 55.36 53.40 7i1b s GLN 48 Cb -0.05 -2.85 0.00 0.00 -1.64 0.00 0.00 33.01 28.47 7i1b s GLN 48 CO 0.42 0.46 0.00 0.41 0.50 0.00 0.00 175.29 177.08 7i1b n GLY 49 N 0.05 -0.57 3.51 2.59 0.00 -1.26 -4.75 105.19 104.76 7i1b n GLY 49 Ca -0.02 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 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 0.28 -2.72 1.61 1.02 -1.26 -4.77 120.64 114.79 7i1b n GLU 50 Ca 0.00 -0.53 -0.43 0.00 -0.02 0.00 0.00 57.16 56.18 7i1b n GLU 50 Cb 0.00 -2.51 0.01 0.00 -0.02 0.00 0.00 31.44 28.91 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 7.23 3.87 0.00 3.49 0.00 -1.26 -4.52 120.64 129.45 7i1b n GLU 51 Ca 0.52 -3.99 0.00 0.00 0.00 0.00 0.00 57.16 53.69 7i1b n GLU 51 Cb 0.32 -2.77 0.00 0.00 0.00 0.00 0.00 31.44 28.99 7i1b n GLU 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 7i1b n SER 52 N 3.15 0.00 0.10 -1.84 2.88 -1.11 -4.92 113.62 111.88 7i1b n SER 52 Ca 0.33 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.99 7i1b n SER 52 Cb 0.36 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.00 0.83 0.00 -3.46 5.15 -1.26 -4.54 115.26 111.99 7i1b n ASN 53 Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 7i1b n ASN 53 Cb 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 7i1b n ASP 54 N -2.63 2.57 -4.59 1.20 8.00 -1.26 -4.97 116.55 114.86 7i1b n ASP 54 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.08 7i1b n ASP 54 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 55 N -1.99 3.47 -0.53 -1.24 1.02 -1.26 -4.40 119.74 114.81 7i1b s LYS 55 Ca 0.00 0.89 -0.01 0.00 0.02 0.00 0.00 55.97 56.87 7i1b s LYS 55 Cb 0.00 -4.07 0.14 0.00 -0.52 0.00 0.00 37.83 33.38 7i1b s LYS 55 CO 0.00 -1.70 0.32 0.42 -0.92 0.00 0.00 175.35 173.47 7i1b s ILE 56 N 5.81 3.28 0.15 2.17 -1.09 -1.08 -2.75 121.20 127.68 7i1b s ILE 56 Ca 0.62 -2.77 -0.31 0.00 -2.23 0.00 0.00 60.65 55.95 7i1b s ILE 56 Cb -0.14 -3.20 -0.11 0.00 -1.58 0.00 0.00 42.46 37.43 7i1b s ILE 56 CO 0.31 -0.80 1.74 -2.84 -1.23 0.00 0.00 174.94 172.12 7i1b s PRO 57 N 0.25 4.15 0.00 2.79 0.02 -1.26 -2.57 135.00 138.37 7i1b s PRO 57 Ca 0.14 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.70 7i1b s PRO 57 Cb -0.22 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.93 7i1b s PRO 57 CO -0.03 -0.77 0.00 1.33 -0.33 0.00 0.00 177.00 177.20 7i1b n VAL 58 N 4.40 0.00 -3.50 3.83 0.24 -0.98 -2.65 118.33 119.66 7i1b n VAL 58 Ca 0.16 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.28 7i1b n VAL 58 Cb 0.38 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.25 -0.48 2.33 0.00 0.16 -2.32 121.76 119.21 7i1b s ALA 59 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 7i1b s ALA 59 Cb 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.86 7i1b s ALA 59 CO 0.00 -1.18 1.00 -0.51 0.00 0.00 0.00 175.76 175.07 7i1b s LEU 60 N 2.32 3.88 -0.09 0.00 1.43 -1.26 -1.72 118.68 123.23 7i1b s LEU 60 Ca 0.06 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 7i1b s LEU 60 Cb -0.16 -3.29 0.01 0.00 0.03 0.00 0.00 46.19 42.79 7i1b s LEU 60 CO -0.12 -1.14 -0.15 -0.83 0.23 0.00 0.00 176.35 174.34 7i1b s GLY 61 N 2.38 0.99 0.16 -3.19 0.00 -1.09 -2.50 107.32 104.07 7i1b s GLY 61 Ca 0.40 -0.65 -0.33 0.00 0.00 0.00 0.00 44.72 44.14 7i1b s GLY 61 CO 0.28 0.16 1.07 1.04 0.00 0.00 0.00 173.10 175.64 7i1b n LEU 62 N 4.04 1.01 0.08 0.66 4.77 -0.84 -0.63 117.00 126.08 7i1b n LEU 62 Ca -0.20 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.79 7i1b n LEU 62 Cb 0.51 -1.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.38 7i1b n LEU 62 CO 0.24 -1.59 0.74 0.50 -1.33 0.00 0.00 177.39 175.96 7i1b h LYS 63 N 2.97 -0.15 0.44 3.23 3.64 -1.66 -3.29 116.57 121.75 7i1b h LYS 63 Ca -0.42 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 7i1b h LYS 63 Cb 1.37 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 7i1b h LYS 63 CO 0.67 0.05 -0.21 0.93 -2.27 0.00 0.00 179.45 178.62 7i1b h GLU 64 N -0.32 -0.57 0.00 1.90 5.08 -1.89 -3.46 114.58 115.33 7i1b h GLU 64 Ca -0.02 0.04 -0.46 0.00 -1.00 0.00 0.00 59.36 57.92 7i1b h GLU 64 Cb 0.26 0.13 0.03 0.00 0.50 0.00 0.00 28.75 29.68 7i1b h GLU 64 CO 0.03 -0.28 -0.04 1.63 -1.00 0.00 0.00 179.01 179.34 7i1b n LYS 65 N -5.26 0.53 -1.93 2.33 5.02 -1.24 -5.02 118.16 112.58 7i1b n LYS 65 Ca -0.11 -2.94 -0.32 0.00 -2.02 0.00 0.00 58.31 52.91 7i1b n LYS 65 Cb 0.29 -0.29 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 7i1b n LYS 65 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 7i1b n ASN 66 N -2.43 6.38 -4.55 4.39 0.23 -1.26 -4.16 115.26 113.86 7i1b n ASN 66 Ca 0.16 -3.78 -0.41 0.00 -0.53 0.00 0.00 54.58 50.01 7i1b n ASN 66 Cb 0.57 -0.76 -0.08 0.00 -2.08 0.00 0.00 39.78 37.43 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 7i1b s LEU 67 N -3.79 4.39 -0.24 -4.53 1.43 -1.26 -2.68 118.68 111.99 7i1b s LEU 67 Ca 0.54 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 7i1b s LEU 67 Cb 0.44 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 7i1b s LEU 67 CO -0.18 -0.44 0.11 -0.31 0.23 0.00 0.00 176.35 175.76 7i1b s TYR 68 N 2.28 3.18 0.59 0.29 1.51 -1.00 -1.99 117.35 122.22 7i1b s TYR 68 Ca 0.17 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.94 7i1b s TYR 68 Cb -0.16 -2.25 -0.08 0.00 -0.11 0.00 0.00 41.96 39.36 7i1b s TYR 68 CO 0.13 -0.16 0.54 1.28 -1.11 0.00 0.00 175.55 176.22 7i1b n LEU 69 N 4.64 0.90 -3.72 -1.29 4.32 -1.04 -2.42 117.00 118.39 7i1b n LEU 69 Ca -0.15 0.72 -0.13 0.00 -0.02 0.00 0.00 56.01 56.43 7i1b n LEU 69 Cb 0.52 -1.19 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 7i1b n LEU 69 CO 0.33 -3.02 0.11 -0.94 -1.22 0.00 0.00 177.39 172.65 7i1b s SER 70 N -1.22 -0.47 -0.19 -1.43 1.04 0.28 -4.38 113.70 107.33 7i1b s SER 70 Ca 0.69 0.89 -0.10 0.00 0.48 0.00 0.00 55.95 57.91 7i1b s SER 70 Cb -0.43 0.88 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 7i1b s SER 70 CO 0.54 -0.16 0.15 0.00 0.98 0.00 0.00 173.24 174.75 7i1b s VAL 72 N 0.31 0.14 -0.12 0.00 -7.23 -0.96 -4.82 120.40 107.73 7i1b s VAL 72 Ca 0.09 -1.14 -0.24 0.00 -1.81 0.00 0.00 61.98 58.88 7i1b s VAL 72 Cb -0.11 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 7i1b s VAL 72 CO -0.01 -0.63 0.73 -0.76 -0.31 0.00 0.00 175.10 174.12 7i1b s LEU 73 N -2.33 4.25 -0.75 1.32 1.43 -1.26 -1.25 118.68 120.08 7i1b s LEU 73 Ca -0.02 1.13 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 7i1b s LEU 73 Cb 0.01 -3.10 0.18 0.00 0.03 0.00 0.00 46.19 43.31 7i1b s LEU 73 CO -0.06 -0.22 0.57 -0.54 0.23 0.00 0.00 176.35 176.33 7i1b s LYS 74 N 1.36 2.71 0.00 1.70 1.02 -0.16 -4.64 119.74 121.74 7i1b s LYS 74 Ca 0.36 -3.25 0.00 0.00 0.02 0.00 0.00 55.97 53.10 7i1b s LYS 74 Cb -0.17 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 7i1b s LYS 74 CO 0.15 -1.26 0.00 -0.25 -0.92 0.00 0.00 175.35 173.07 7i1b n ASP 75 N 2.22 -1.62 -0.54 2.83 8.00 -1.26 -3.60 116.55 122.58 7i1b n ASP 75 Ca 0.19 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.62 7i1b n ASP 75 Cb 0.36 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 7i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 7i1b n ASP 76 N -0.37 -5.07 -4.04 -2.24 8.00 -1.26 -4.96 116.55 106.61 7i1b n ASP 76 Ca 0.00 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.36 7i1b n ASP 76 Cb 0.40 -3.20 -0.15 0.00 -0.02 0.00 0.00 41.12 38.16 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 -2.32 1.87 0.31 -1.24 2.36 -1.24 -5.08 119.74 114.40 7i1b s LYS 77 Ca 0.00 -1.59 -0.29 0.00 -2.55 0.00 0.00 55.97 51.54 7i1b s LYS 77 Cb 0.00 -3.02 -0.13 0.00 -1.05 0.00 0.00 37.83 33.63 7i1b s LYS 77 CO 0.00 -0.74 1.34 -2.30 1.55 0.00 0.00 175.35 175.19 7i1b n PRO 78 N 4.35 2.12 -3.95 4.03 -0.02 -1.26 -0.99 135.00 139.29 7i1b n PRO 78 Ca -0.06 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.08 7i1b n PRO 78 Cb 0.42 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.71 0.06 -0.10 3.45 2.01 -0.38 -4.62 115.64 115.34 7i1b s THR 79 Ca 0.60 -1.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 7i1b s THR 79 Cb -0.59 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 7i1b s THR 79 CO 0.58 -0.26 0.19 -0.22 -0.69 0.00 0.00 174.62 174.22 7i1b s LEU 80 N -2.97 4.39 0.03 4.42 2.96 -1.26 -2.26 118.68 123.99 7i1b s LEU 80 Ca 0.17 0.55 -0.23 0.00 -0.22 0.00 0.00 54.13 54.41 7i1b s LEU 80 Cb 0.03 -2.18 0.05 0.00 0.50 0.00 0.00 46.19 44.59 7i1b s LEU 80 CO 0.00 0.38 0.52 -1.58 -1.32 0.00 0.00 176.35 174.35 7i1b s GLN 81 N -0.94 1.00 0.02 1.98 2.00 -0.14 -4.83 119.66 118.74 7i1b s GLN 81 Ca 0.16 -0.16 -0.09 0.00 -2.00 0.00 0.00 55.36 53.27 7i1b s GLN 81 Cb -0.13 0.46 -0.05 0.00 0.80 0.00 0.00 33.01 34.09 7i1b s GLN 81 CO 0.06 -0.34 0.32 -0.51 -0.50 0.00 0.00 175.29 174.31 7i1b s LEU 82 N -1.79 4.38 -0.08 3.68 1.43 -1.26 0.98 118.68 126.02 7i1b s LEU 82 Ca -0.07 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 7i1b s LEU 82 Cb -0.01 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.56 7i1b s LEU 82 CO 0.01 0.25 0.15 -0.70 0.23 0.00 0.00 176.35 176.29 7i1b s GLU 83 N -1.64 0.03 0.00 1.70 2.12 -1.02 -4.90 118.70 115.00 7i1b s GLU 83 Ca 0.27 0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 7i1b s GLU 83 Cb -0.14 -0.28 -0.07 0.00 0.26 0.00 0.00 34.13 33.90 7i1b s GLU 83 CO 0.15 -0.30 1.63 -1.12 -0.54 0.00 0.00 175.26 175.08 7i1b s SER 84 N 2.19 6.66 0.06 -1.70 0.01 -1.26 -2.37 113.70 117.30 7i1b s SER 84 Ca 0.02 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.61 7i1b s SER 84 Cb -0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.56 7i1b s SER 84 CO -0.06 -0.88 0.00 1.33 0.41 0.00 0.00 173.24 174.04 7i1b n VAL 85 N 5.08 0.00 -3.01 3.43 0.24 -1.09 -4.96 118.33 118.02 7i1b n VAL 85 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 7i1b n VAL 85 Cb 0.42 -1.19 -0.06 0.00 -1.47 0.00 0.00 33.84 31.54 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 6.51 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.60 7i1b s ASP 86 Ca 0.00 0.29 0.11 0.00 -0.52 0.00 0.00 52.55 52.43 7i1b s ASP 86 Cb 0.00 -2.37 0.52 0.00 -1.46 0.00 0.00 42.92 39.61 7i1b s ASP 86 CO 0.00 -0.68 1.29 -0.81 0.52 0.00 0.00 175.17 175.49 7i1b n PRO 87 N 6.27 0.10 -0.09 4.34 -0.04 -1.26 -1.01 135.00 143.31 7i1b n PRO 87 Ca 0.01 0.23 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 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 -1.37 0.64 0.05 0.54 5.02 -1.26 -4.46 118.16 117.32 7i1b n LYS 88 Ca 0.04 0.32 -0.05 0.00 -2.02 0.00 0.00 58.31 56.61 7i1b n LYS 88 Cb 0.10 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.40 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 -0.49 0.00 -3.05 4.39 2.35 -1.94 -3.46 115.58 113.38 7i1b h ASN 89 Ca -0.51 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.62 7i1b h ASN 89 Cb 1.71 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.00 7i1b h ASN 89 CO -0.16 0.84 -0.58 -0.31 -1.65 0.00 0.00 177.43 175.57 7i1b s TYR 90 N -2.76 3.21 0.39 1.19 2.02 -0.18 -3.78 117.35 117.43 7i1b s TYR 90 Ca -0.01 0.07 -0.25 0.00 -0.37 0.00 0.00 57.07 56.51 7i1b s TYR 90 Cb 0.09 -1.61 -0.09 0.00 -0.40 0.00 0.00 41.96 39.95 7i1b s TYR 90 CO 0.81 0.52 1.07 -1.25 -1.57 0.00 0.00 175.55 175.13 7i1b s PRO 91 N -2.57 4.20 0.20 -1.71 0.04 -1.26 -4.55 135.00 129.35 7i1b s PRO 91 Ca 0.30 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.98 7i1b s PRO 91 Cb -0.12 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 7i1b s PRO 91 CO 0.23 -0.13 -0.07 0.21 0.04 0.00 0.00 177.00 177.28 7i1b s LYS 92 N -2.35 1.26 0.13 4.56 2.20 -1.25 -5.01 119.74 119.30 7i1b s LYS 92 Ca 0.56 -1.59 0.13 0.00 -0.36 0.00 0.00 55.97 54.71 7i1b s LYS 92 Cb -0.24 -0.77 0.62 0.00 -1.51 0.00 0.00 37.83 35.92 7i1b s LYS 92 CO 0.31 0.03 1.40 0.36 -0.36 0.00 0.00 175.35 177.08 7i1b n LYS 93 N -0.35 0.07 -4.27 4.03 2.85 -1.26 -4.61 118.16 114.62 7i1b n LYS 93 Ca -0.07 0.48 -0.23 0.00 -1.05 0.00 0.00 58.31 57.44 7i1b n LYS 93 Cb 0.62 -1.69 -0.12 0.00 -0.65 0.00 0.00 35.03 33.18 7i1b n LYS 93 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 7i1b s LYS 94 N -3.21 1.07 -0.10 -1.58 2.20 -1.26 -0.77 119.74 116.09 7i1b s LYS 94 Ca 0.01 -1.14 -0.12 0.00 -0.36 0.00 0.00 55.97 54.37 7i1b s LYS 94 Cb 0.05 -1.27 0.03 0.00 -1.51 0.00 0.00 37.83 35.13 7i1b s LYS 94 CO 0.17 0.29 0.32 -1.64 -0.36 0.00 0.00 175.35 174.13 7i1b s MET 95 N -1.93 0.42 0.80 4.03 -1.94 -1.26 -4.99 119.30 114.42 7i1b s MET 95 Ca 0.05 0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 7i1b s MET 95 Cb -0.10 0.20 0.08 0.00 2.01 0.00 0.00 34.83 37.02 7i1b s MET 95 CO 0.04 -0.07 1.17 -1.21 -0.01 0.00 0.00 175.02 174.94 7i1b s GLU 96 N -0.07 1.78 0.52 2.03 0.41 -1.26 -4.70 118.70 117.41 7i1b s GLU 96 Ca -0.02 1.61 0.26 0.00 -0.41 0.00 0.00 54.97 56.41 7i1b s GLU 96 Cb -0.03 -1.81 1.37 0.00 -1.78 0.00 0.00 34.13 31.89 7i1b s GLU 96 CO 0.01 -2.08 1.96 0.87 -0.49 0.00 0.00 175.26 175.53 7i1b h LYS 97 N -0.93 0.06 -0.90 1.61 6.56 -1.91 -0.41 116.57 120.64 7i1b h LYS 97 Ca -0.46 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.12 7i1b h LYS 97 Cb 1.28 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.88 7i1b h LYS 97 CO 0.47 0.04 0.52 0.00 -2.06 0.00 0.00 179.45 178.42 7i1b h ARG 98 N 0.06 1.24 -0.01 3.15 3.08 -1.88 -2.37 114.38 117.65 7i1b h ARG 98 Ca 0.32 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.24 7i1b h ARG 98 Cb 1.19 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.99 7i1b h ARG 98 CO -0.02 0.88 -0.33 1.19 -1.07 0.00 0.00 179.97 180.62 7i1b n PHE 99 N -4.37 0.00 -3.34 3.04 3.72 -0.26 -3.06 117.46 113.19 7i1b n PHE 99 Ca 0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.12 7i1b n PHE 99 Cb 0.08 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.50 5.20 -0.13 -4.37 1.01 -0.66 -4.35 120.40 114.61 7i1b s VAL 100 Ca 0.22 0.88 0.01 0.00 0.00 0.00 0.00 61.98 63.09 7i1b s VAL 100 Cb 0.19 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.80 7i1b s VAL 100 CO 0.54 0.32 -0.14 -0.36 0.00 0.00 0.00 175.10 175.45 7i1b s PHE 101 N 0.71 2.06 -0.52 5.22 0.40 -0.98 -2.20 117.98 122.67 7i1b s PHE 101 Ca 0.24 -1.07 -0.28 0.00 -0.60 0.00 0.00 56.93 55.22 7i1b s PHE 101 Cb -0.15 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.88 7i1b s PHE 101 CO 0.09 -0.58 1.48 -0.80 0.70 0.00 0.00 175.22 176.12 7i1b s ASN 102 N 1.26 6.07 -0.56 1.36 -0.87 -0.76 -2.32 114.94 119.12 7i1b s ASN 102 Ca -0.00 0.48 -0.28 0.00 -1.57 0.00 0.00 52.86 51.49 7i1b s ASN 102 Cb -0.14 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.56 7i1b s ASN 102 CO -0.06 -1.72 1.43 -0.75 -2.57 0.00 0.00 177.10 173.43 7i1b s LYS 103 N 5.55 3.28 0.46 -0.60 2.36 -1.06 -2.63 119.74 127.09 7i1b s LYS 103 Ca 0.58 0.47 0.07 0.00 -2.55 0.00 0.00 55.97 54.54 7i1b s LYS 103 Cb -0.12 -4.13 0.00 0.00 -1.05 0.00 0.00 37.83 32.53 7i1b s LYS 103 CO 0.27 -1.96 0.44 0.42 1.55 0.00 0.00 175.35 176.07 7i1b s ILE 104 N 6.15 2.44 -0.08 5.43 1.01 -0.83 -2.64 121.20 132.68 7i1b s ILE 104 Ca 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.87 7i1b s ILE 104 Cb -0.11 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.63 7i1b s ILE 104 CO 0.25 0.00 -0.07 -1.61 0.00 0.00 0.00 174.94 173.51 7i1b s GLU 105 N -4.23 1.32 -0.04 2.79 2.02 -1.26 -2.07 118.70 117.23 7i1b s GLU 105 Ca 0.47 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 55.24 7i1b s GLU 105 Cb -0.04 -1.33 0.03 0.00 0.10 0.00 0.00 34.13 32.89 7i1b s GLU 105 CO 0.28 -0.17 0.04 0.42 0.02 0.00 0.00 175.26 175.84 7i1b s ILE 106 N 1.38 0.03 -1.31 -1.63 -1.09 -0.01 -4.85 121.20 113.72 7i1b s ILE 106 Ca -0.02 0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.64 7i1b s ILE 106 Cb -0.14 -0.23 0.01 0.00 -1.58 0.00 0.00 42.46 40.53 7i1b s ILE 106 CO -0.04 0.18 1.04 -3.20 -1.23 0.00 0.00 174.94 171.69 7i1b n ASN 107 N 4.93 -3.97 -2.32 3.58 2.85 -1.26 -1.42 115.26 117.66 7i1b n ASN 107 Ca -0.11 -0.63 -0.21 0.00 -0.11 0.00 0.00 54.58 53.52 7i1b n ASN 107 Cb 0.50 -4.83 -0.02 0.00 1.24 0.00 0.00 39.78 36.67 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 -3.05 -5.82 -4.31 1.20 2.85 -1.26 -4.96 115.26 99.91 7i1b n ASN 108 Ca -0.14 0.04 -0.16 0.00 -0.11 0.00 0.00 54.58 54.22 7i1b n ASN 108 Cb 0.61 -4.88 -0.10 0.00 1.24 0.00 0.00 39.78 36.65 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 -4.92 1.37 0.15 1.20 1.02 -0.51 -5.08 119.74 112.99 7i1b s LYS 109 Ca 0.00 -1.73 0.03 0.00 0.02 0.00 0.00 55.97 54.29 7i1b s LYS 109 Cb 0.00 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 7i1b s LYS 109 CO 0.00 -0.27 0.27 -0.51 -0.92 0.00 0.00 175.35 173.91 7i1b s LEU 110 N -3.29 4.27 -0.25 3.17 1.43 -0.06 -0.83 118.68 123.12 7i1b s LEU 110 Ca 0.36 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 7i1b s LEU 110 Cb 0.08 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.58 7i1b s LEU 110 CO 0.12 0.05 0.31 -0.70 0.23 0.00 0.00 176.35 176.36 7i1b s GLU 111 N -3.25 0.30 -0.24 1.70 2.12 -0.88 -0.57 118.70 117.88 7i1b s GLU 111 Ca 0.34 0.22 -0.21 0.00 0.36 0.00 0.00 54.97 55.68 7i1b s GLU 111 Cb -0.11 -0.74 -0.02 0.00 0.26 0.00 0.00 34.13 33.53 7i1b s GLU 111 CO 0.28 -0.78 0.66 -0.06 -0.54 0.00 0.00 175.26 174.81 7i1b s PHE 112 N 2.43 3.30 -0.08 5.30 0.08 -1.26 -1.96 117.98 125.79 7i1b s PHE 112 Ca 0.10 0.88 -0.02 0.00 0.12 0.00 0.00 56.93 58.01 7i1b s PHE 112 Cb -0.15 -2.86 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 7i1b s PHE 112 CO -0.20 -0.31 0.00 -2.00 -0.10 0.00 0.00 175.22 172.61 7i1b s GLU 113 N 2.44 2.97 -0.36 0.44 2.12 -1.08 -2.53 118.70 122.70 7i1b s GLU 113 Ca 0.28 -0.41 -0.28 0.00 0.36 0.00 0.00 54.97 54.91 7i1b s GLU 113 Cb -0.16 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.43 7i1b s GLU 113 CO 0.09 0.70 1.82 0.45 -0.54 0.00 0.00 175.26 177.78 7i1b s SER 114 N -0.91 5.80 0.60 -1.70 0.15 -0.12 -1.83 113.70 115.69 7i1b s SER 114 Ca 0.14 1.20 0.24 0.00 0.70 0.00 0.00 55.95 58.22 7i1b s SER 114 Cb -0.11 -2.53 1.28 0.00 -1.71 0.00 0.00 66.02 62.95 7i1b s SER 114 CO 0.03 -1.80 1.70 0.00 1.20 0.00 0.00 173.24 174.37 7i1b h ALA 115 N 13.23 1.38 0.04 5.45 0.00 -1.58 -0.03 119.26 137.76 7i1b h ALA 115 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 7i1b h ALA 115 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 7i1b h ALA 115 CO 1.05 -0.38 -1.12 0.37 0.00 0.00 0.00 179.25 179.17 7i1b h GLN 116 N 0.00 0.09 -3.69 0.00 -0.00 -1.80 -3.43 115.11 106.27 7i1b h GLN 116 Ca 0.00 -0.15 -0.69 0.00 -0.00 0.00 0.00 58.65 57.81 7i1b h GLN 116 Cb 0.81 0.06 -0.36 0.00 0.00 0.00 0.00 27.48 27.99 7i1b h GLN 116 CO 0.00 1.07 -0.41 -0.06 0.00 0.00 0.00 178.83 179.43 7i1b s PHE 117 N -2.38 3.41 0.65 3.99 0.08 -0.03 -5.09 117.98 118.61 7i1b s PHE 117 Ca -0.24 -2.73 -0.18 0.00 0.12 0.00 0.00 56.93 53.90 7i1b s PHE 117 Cb 0.04 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 7i1b s PHE 117 CO 0.67 -0.85 1.29 -2.14 -0.10 0.00 0.00 175.22 174.09 7i1b s PRO 118 N 0.07 2.55 0.00 0.24 0.02 -1.20 -2.20 135.00 134.48 7i1b s PRO 118 Ca 0.16 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.22 7i1b s PRO 118 Cb -0.21 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.46 7i1b s PRO 118 CO -0.03 -1.59 0.00 0.09 -0.33 0.00 0.00 177.00 175.13 7i1b n ASN 119 N -1.92 0.00 -4.39 2.53 3.02 -1.26 -5.00 115.26 108.24 7i1b n ASN 119 Ca 0.16 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 7i1b n ASN 119 Cb 0.48 0.00 -0.13 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 -2.90 3.07 0.47 3.10 0.52 -0.93 -4.58 118.94 117.69 7i1b s TRP 120 Ca 0.00 -0.66 0.04 0.00 0.02 0.00 0.00 56.10 55.50 7i1b s TRP 120 Cb 0.00 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 7i1b s TRP 120 CO 0.00 -0.45 0.05 0.71 0.02 0.00 0.00 176.95 177.28 7i1b s TYR 121 N 1.56 2.14 -0.16 -1.98 1.51 -0.93 -0.94 117.35 118.55 7i1b s TYR 121 Ca 0.05 -0.82 -0.29 0.00 -1.01 0.00 0.00 57.07 55.01 7i1b s TYR 121 Cb -0.15 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 7i1b s TYR 121 CO 0.02 0.25 0.99 0.42 -1.11 0.00 0.00 175.55 176.11 7i1b s ILE 122 N -2.79 4.77 0.22 2.71 1.01 -1.05 -1.73 121.20 124.33 7i1b s ILE 122 Ca 0.21 1.97 0.11 0.00 0.00 0.00 0.00 60.65 62.94 7i1b s ILE 122 Cb 0.04 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 7i1b s ILE 122 CO 0.11 -0.05 -0.21 -0.44 0.00 0.00 0.00 174.94 174.35 7i1b s SER 123 N 1.14 3.35 0.13 3.58 0.01 -0.20 -4.45 113.70 117.27 7i1b s SER 123 Ca 0.45 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 56.80 7i1b s SER 123 Cb -0.17 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 7i1b s SER 123 CO 0.13 0.06 -0.04 0.42 0.41 0.00 0.00 173.24 174.21 7i1b s THR 124 N -2.09 0.76 -0.27 1.44 -4.23 -0.67 -2.64 115.64 107.93 7i1b s THR 124 Ca 0.24 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.68 7i1b s THR 124 Cb -0.06 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 7i1b s THR 124 CO 0.11 -0.70 0.12 -0.55 -0.54 0.00 0.00 174.62 173.07 7i1b s SER 125 N -3.11 5.50 0.55 3.99 0.15 -1.26 -2.60 113.70 116.92 7i1b s SER 125 Ca 0.17 -0.19 0.37 0.00 0.70 0.00 0.00 55.95 57.01 7i1b s SER 125 Cb 0.05 -2.00 1.54 0.00 -1.71 0.00 0.00 66.02 63.90 7i1b s SER 125 CO -0.01 -0.07 1.76 -0.61 1.20 0.00 0.00 173.24 175.52 7i1b h GLN 126 N 8.30 0.00 -6.28 5.44 5.75 -1.97 -3.42 115.11 122.94 7i1b h GLN 126 Ca -0.36 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 57.64 7i1b h GLN 126 Cb 1.18 0.00 0.24 0.00 1.07 0.00 0.00 27.48 29.97 7i1b h GLN 126 CO 0.57 0.00 -1.83 0.00 -2.65 0.00 0.00 178.83 174.93 7i1b n ALA 127 N -2.74 -4.90 -2.33 3.38 0.00 -1.26 -4.91 120.51 107.76 7i1b n ALA 127 Ca 0.27 -1.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.22 7i1b n ALA 127 Cb 1.32 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.59 4.11 -0.42 0.00 0.41 -1.26 -4.56 118.70 114.38 7i1b s GLU 128 Ca 0.45 0.64 -0.22 0.00 -0.41 0.00 0.00 54.97 55.42 7i1b s GLU 128 Cb -0.06 -3.18 0.03 0.00 -1.78 0.00 0.00 34.13 29.14 7i1b s GLU 128 CO 0.70 0.62 0.59 0.09 -0.49 0.00 0.00 175.26 176.77 7i1b n ASN 129 N 1.59 -7.20 -3.72 -0.19 3.02 -1.26 -5.04 115.26 102.46 7i1b n ASN 129 Ca -0.10 0.36 -0.14 0.00 -0.03 0.00 0.00 54.58 54.66 7i1b n ASN 129 Cb 0.51 -4.21 -0.15 0.00 -0.61 0.00 0.00 39.78 35.33 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 7i1b s MET 130 N -2.50 0.08 0.68 3.52 1.75 -1.26 -5.03 119.30 116.54 7i1b s MET 130 Ca 0.28 0.45 -0.17 0.00 -1.25 0.00 0.00 55.69 54.99 7i1b s MET 130 Cb -0.06 -0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.42 7i1b s MET 130 CO 0.79 -0.21 1.28 -2.14 -0.65 0.00 0.00 175.02 174.09 7i1b s PRO 131 N 1.55 2.37 0.60 4.11 0.01 -1.26 -2.79 135.00 139.60 7i1b s PRO 131 Ca -0.05 2.03 -0.14 0.00 0.01 0.00 0.00 61.00 62.85 7i1b s PRO 131 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 34.50 32.53 7i1b s PRO 131 CO -0.06 -1.72 1.03 0.08 0.01 0.00 0.00 177.00 176.34 7i1b s VAL 132 N -1.51 4.30 0.36 3.83 1.01 -0.90 -4.76 120.40 122.73 7i1b s VAL 132 Ca 0.81 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 7i1b s VAL 132 Cb -0.36 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.45 7i1b s VAL 132 CO 0.42 -0.81 0.76 0.72 0.00 0.00 0.00 175.10 176.19 7i1b s PHE 133 N -2.83 0.09 -0.20 5.22 -0.71 -1.08 -4.81 117.98 113.66 7i1b s PHE 133 Ca 0.59 -0.71 -0.08 0.00 -1.04 0.00 0.00 56.93 55.69 7i1b s PHE 133 Cb -0.13 0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 7i1b s PHE 133 CO 0.44 -1.48 0.08 -1.17 -1.34 0.00 0.00 175.22 171.75 7i1b s LEU 134 N -3.04 3.88 0.11 -1.99 2.96 -1.26 -1.03 118.68 118.30 7i1b s LEU 134 Ca 0.15 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 7i1b s LEU 134 Cb -0.05 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 7i1b s LEU 134 CO 0.11 0.15 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.32 7i1b s GLY 135 N 0.54 0.98 -0.72 7.98 0.00 -0.71 -4.62 107.32 110.78 7i1b s GLY 135 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.56 7i1b s GLY 135 CO 0.01 -1.27 1.70 0.61 0.00 0.00 0.00 173.10 174.15 7i1b n GLY 136 N 0.68 5.71 2.59 0.20 0.00 -1.26 -2.18 105.19 110.93 7i1b n GLY 136 Ca -0.17 -2.59 -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 -5.18 0.55 -0.03 2.61 2.01 -1.26 -5.01 115.64 109.34 7i1b s THR 137 Ca 0.50 -1.67 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 7i1b s THR 137 Cb 0.41 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 7i1b s THR 137 CO -0.32 -0.86 1.58 -0.75 -0.69 0.00 0.00 174.62 173.58 7i1b s LYS 138 N 1.20 4.21 7.92 4.92 2.20 -1.26 -4.67 119.74 134.26 7i1b s LYS 138 Ca 0.15 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 7i1b s LYS 138 Cb -0.21 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 7i1b s LYS 138 CO -0.12 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 7i1b n GLY 139 N 3.98 4.17 7.00 5.54 0.00 -1.26 -4.87 105.19 119.75 7i1b n GLY 139 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.31 7i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7i1b n GLY 140 N 0.00 4.04 0.08 -0.02 0.00 -1.26 -2.64 105.19 105.39 7i1b n GLY 140 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 7i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 141 N 14.00 1.30 -2.40 1.61 0.00 -1.26 -4.98 117.38 125.65 7i1b n GLN 141 Ca 0.00 0.02 -0.36 0.00 -0.00 0.00 0.00 57.00 56.65 7i1b n GLN 141 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 30.24 28.82 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 -5.09 6.34 -0.79 1.69 1.11 -1.08 -4.92 116.67 113.93 7i1b s ASP 142 Ca -0.11 2.14 -0.21 0.00 0.18 0.00 0.00 52.55 54.55 7i1b s ASP 142 Cb 0.05 -2.59 0.10 0.00 1.07 0.00 0.00 42.92 41.55 7i1b s ASP 142 CO 0.59 -0.79 1.04 -0.63 1.18 0.00 0.00 175.17 176.56 7i1b s ILE 143 N -1.68 4.51 -0.13 0.77 1.01 -1.07 -4.38 121.20 120.23 7i1b s ILE 143 Ca 0.63 -0.94 0.18 0.00 0.00 0.00 0.00 60.65 60.53 7i1b s ILE 143 Cb -0.24 -4.73 -0.20 0.00 0.01 0.00 0.00 42.46 37.30 7i1b s ILE 143 CO 0.29 -1.48 0.57 0.35 0.00 0.00 0.00 174.94 174.67 7i1b n THR 144 N 5.75 0.99 -1.13 2.92 -2.24 -1.26 -1.68 114.28 117.64 7i1b n THR 144 Ca 0.09 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 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 -5.45 3.38 0.28 3.42 1.47 -1.26 -4.63 116.67 113.88 7i1b s ASP 145 Ca -0.06 1.59 -0.07 0.00 1.18 0.00 0.00 52.55 55.19 7i1b s ASP 145 Cb 0.09 -2.25 0.03 0.00 -0.34 0.00 0.00 42.92 40.45 7i1b s ASP 145 CO 0.84 -2.71 0.49 0.49 0.68 0.00 0.00 175.17 174.96 7i1b n PHE 146 N -3.94 -1.69 -3.50 2.11 3.72 0.27 -4.52 117.46 109.91 7i1b n PHE 146 Ca 0.07 -1.50 -0.04 0.00 -0.05 0.00 0.00 57.45 55.92 7i1b n PHE 146 Cb 0.55 0.57 -0.06 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.79 0.36 4.37 -4.23 -0.23 -0.88 115.64 111.75 7i1b s THR 147 Ca 0.15 0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 7i1b s THR 147 Cb -0.02 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 7i1b s THR 147 CO 0.11 -0.00 0.62 -0.32 -0.54 0.00 0.00 174.62 174.49 7i1b s MET 148 N 2.71 3.58 -0.10 3.99 1.75 -1.26 -1.91 119.30 128.06 7i1b s MET 148 Ca 0.04 -0.02 -0.00 0.00 -1.25 0.00 0.00 55.69 54.46 7i1b s MET 148 Cb -0.13 -2.57 0.02 0.00 2.84 0.00 0.00 34.83 34.99 7i1b s MET 148 CO -0.16 0.08 -0.06 -1.14 -0.65 0.00 0.00 175.02 173.08 7i1b s GLN 149 N -4.08 1.35 -0.15 4.11 0.74 -1.03 -4.98 119.66 115.62 7i1b s GLN 149 Ca 0.44 -0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.37 7i1b s GLN 149 Cb -0.10 -1.45 -0.01 0.00 1.10 0.00 0.00 33.01 32.55 7i1b s GLN 149 CO 0.35 -0.26 1.18 -0.06 -0.55 0.00 0.00 175.29 175.96 7i1b s PHE 150 N 1.69 3.08 0.13 1.67 0.40 -1.26 -2.34 117.98 121.34 7i1b s PHE 150 Ca 0.04 1.20 0.02 0.00 -0.60 0.00 0.00 56.93 57.58 7i1b s PHE 150 Cb -0.13 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 39.96 7i1b s PHE 150 CO -0.07 -1.23 0.27 0.14 0.70 0.00 0.00 175.22 175.03 7i1b s VAL 151 N 3.05 5.34 0.24 -0.44 -7.23 -1.20 -5.01 120.40 115.14 7i1b s VAL 151 Ca 0.52 -0.58 0.07 0.00 -1.81 0.00 0.00 61.98 60.19 7i1b s VAL 151 Cb -0.21 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 7i1b s VAL 151 CO 0.14 -0.03 0.14 -0.94 -0.31 0.00 0.00 175.10 174.10 7i1b s SER 152 N -3.01 5.28 0.00 4.85 1.04 -1.26 -4.83 113.70 115.76 7i1b s SER 152 Ca 0.35 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.46 7i1b s SER 152 Cb -0.12 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.73 7i1b s SER 152 CO 0.28 -0.01 0.00 -1.20 0.98 0.00 0.00 173.24 173.30