#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 0.85 -2.94 0.00 -0.04 -1.26 -4.76 135.00 126.85 7i1b n PRO 2 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 7i1b n PRO 2 Cb 0.00 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.18 7i1b n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 7i1b n VAL 3 N 0.29 0.00 -3.90 0.52 0.24 -1.26 -4.96 118.33 109.26 7i1b n VAL 3 Ca 0.00 -1.30 -0.30 0.00 -2.04 0.00 0.00 64.34 60.70 7i1b n VAL 3 Cb 0.31 -0.18 -0.16 0.00 -1.47 0.00 0.00 33.84 32.34 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 7i1b s ARG 4 N -3.31 1.40 0.41 7.34 3.52 -1.26 -5.08 118.95 121.98 7i1b s ARG 4 Ca 0.17 -0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 7i1b s ARG 4 Cb -0.01 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 7i1b s ARG 4 CO 0.11 -0.63 0.71 -1.12 -0.81 0.00 0.00 175.30 173.56 7i1b s SER 5 N 1.48 6.35 -0.12 -2.12 0.01 -1.26 -3.03 113.70 115.00 7i1b s SER 5 Ca -0.04 0.86 -0.04 0.00 1.31 0.00 0.00 55.95 58.05 7i1b s SER 5 Cb -0.18 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 63.88 7i1b s SER 5 CO -0.07 -0.44 0.09 -0.76 0.41 0.00 0.00 173.24 172.47 7i1b s LEU 6 N -4.30 0.22 0.04 2.44 1.02 0.81 -4.92 118.68 113.99 7i1b s LEU 6 Ca 0.46 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 54.01 7i1b s LEU 6 Cb -0.10 -0.14 -0.05 0.00 0.02 0.00 0.00 46.19 45.91 7i1b s LEU 6 CO 0.38 -0.31 1.20 0.20 0.02 0.00 0.00 176.35 177.85 7i1b s ASN 7 N 2.17 7.07 -0.16 2.29 0.02 -1.26 0.13 114.94 125.20 7i1b s ASN 7 Ca 0.03 1.98 -0.28 0.00 -1.02 0.00 0.00 52.86 53.57 7i1b s ASN 7 Cb -0.14 -2.58 0.08 0.00 0.02 0.00 0.00 41.25 38.63 7i1b s ASN 7 CO -0.07 -0.49 0.77 0.00 0.02 0.00 0.00 177.10 177.33 7i1b s THR 9 N -0.49 5.11 -0.09 0.00 -4.23 -0.73 -1.04 115.64 114.17 7i1b s THR 9 Ca -0.05 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 7i1b s THR 9 Cb -0.02 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 7i1b s THR 9 CO 0.04 -0.34 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.86 7i1b s LEU 10 N -3.71 2.59 0.05 4.79 1.43 -1.26 -2.23 118.68 120.35 7i1b s LEU 10 Ca 0.41 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 7i1b s LEU 10 Cb -0.10 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 7i1b s LEU 10 CO 0.31 0.24 -0.12 -0.13 0.23 0.00 0.00 176.35 176.88 7i1b s ARG 11 N -0.10 0.77 0.00 1.70 0.52 -0.44 -3.36 118.95 118.03 7i1b s ARG 11 Ca -0.03 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 7i1b s ARG 11 Cb -0.14 -0.72 0.00 0.00 0.52 0.00 0.00 34.95 34.61 7i1b s ARG 11 CO 0.04 0.17 0.00 -0.40 0.02 0.00 0.00 175.30 175.12 7i1b n ASP 12 N 1.58 0.00 0.20 0.23 5.75 -0.87 0.26 116.55 123.71 7i1b n ASP 12 Ca -0.20 -0.97 0.08 0.00 -0.01 0.00 0.00 54.79 53.68 7i1b n ASP 12 Cb 0.55 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.02 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 -0.15 -1.12 4.64 -1.89 -2.59 113.55 112.44 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 0.30 0.00 1.67 -0.87 0.00 0.00 176.83 177.93 7i1b n GLN 14 N -3.45 1.72 -0.76 4.77 7.27 -1.26 -4.89 117.38 120.77 7i1b n GLN 14 Ca 0.00 -1.07 0.00 0.00 0.07 0.00 0.00 57.00 56.00 7i1b n GLN 14 Cb 0.48 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.72 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 7i1b n GLN 15 N 0.30 0.00 -0.67 3.69 7.27 -0.98 -5.03 117.38 121.96 7i1b n GLN 15 Ca 0.16 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.93 7i1b n GLN 15 Cb 0.33 -2.05 0.18 0.00 2.41 0.00 0.00 30.24 31.11 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 -0.24 0.59 0.33 3.69 1.02 -1.26 -4.68 119.74 119.19 7i1b s LYS 16 Ca 0.00 1.39 0.09 0.00 0.02 0.00 0.00 55.97 57.47 7i1b s LYS 16 Cb 0.00 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.56 7i1b s LYS 16 CO 0.00 -2.87 -0.10 -1.12 -0.92 0.00 0.00 175.35 170.34 7i1b s SER 17 N -2.65 3.54 -0.10 2.83 0.01 -1.03 -2.06 113.70 114.24 7i1b s SER 17 Ca 0.67 -1.18 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 7i1b s SER 17 Cb -0.23 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 7i1b s SER 17 CO 0.59 -0.21 0.14 -0.76 0.41 0.00 0.00 173.24 173.42 7i1b s LEU 18 N -3.57 4.36 0.03 2.44 1.43 -1.21 -2.47 118.68 119.68 7i1b s LEU 18 Ca 0.32 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 7i1b s LEU 18 Cb 0.02 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 7i1b s LEU 18 CO 0.15 0.39 -0.10 0.68 0.23 0.00 0.00 176.35 177.70 7i1b s VAL 19 N -1.07 0.78 -0.99 -1.59 -7.23 0.60 -2.64 120.40 108.27 7i1b s VAL 19 Ca 0.17 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.32 7i1b s VAL 19 Cb -0.12 -0.74 0.12 0.00 0.56 0.00 0.00 36.38 36.20 7i1b s VAL 19 CO 0.06 -0.07 1.23 -0.32 -0.31 0.00 0.00 175.10 175.69 7i1b s MET 20 N -1.01 3.67 0.32 4.82 1.75 -1.26 -0.37 119.30 127.21 7i1b s MET 20 Ca -0.02 -1.76 0.26 0.00 -1.25 0.00 0.00 55.69 52.92 7i1b s MET 20 Cb -0.07 -5.02 0.92 0.00 2.84 0.00 0.00 34.83 33.49 7i1b s MET 20 CO 0.01 -1.86 1.77 1.03 -0.65 0.00 0.00 175.02 175.32 7i1b h SER 21 N 8.76 0.00 -5.28 1.11 0.87 -1.87 -3.46 113.55 113.67 7i1b h SER 21 Ca 0.19 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 7i1b h SER 21 Cb 1.00 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.89 7i1b h SER 21 CO 1.18 0.00 -0.06 -0.83 -0.53 0.00 0.00 176.83 176.60 7i1b s GLY 22 N -3.75 0.78 0.05 5.77 0.00 -1.05 -5.00 107.32 104.11 7i1b s GLY 22 Ca 0.06 -1.03 -0.24 0.00 0.00 0.00 0.00 44.72 43.51 7i1b s GLY 22 CO 0.52 -0.66 1.37 -2.55 0.00 0.00 0.00 173.10 171.78 7i1b h PRO 23 N 2.15 -0.74 -0.90 2.90 0.10 -2.02 -3.09 132.00 130.40 7i1b h PRO 23 Ca -0.27 0.05 -0.54 0.00 0.10 0.00 0.00 66.00 65.34 7i1b h PRO 23 Cb 1.25 0.17 -0.28 0.00 0.10 0.00 0.00 31.00 32.23 7i1b h PRO 23 CO 0.37 -0.49 0.55 0.66 0.10 0.00 0.00 178.00 179.19 7i1b n TYR 24 N -4.42 2.87 -3.82 0.65 4.01 -1.26 -4.93 117.16 110.26 7i1b n TYR 24 Ca -0.09 -2.30 -0.13 0.00 -0.16 0.00 0.00 57.90 55.22 7i1b n TYR 24 Cb 0.33 -1.05 -0.14 0.00 -0.31 0.00 0.00 39.34 38.17 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 -3.52 0.06 0.14 -0.72 2.02 -1.17 -4.65 118.70 110.86 7i1b s GLU 25 Ca 0.58 0.15 0.07 0.00 0.02 0.00 0.00 54.97 55.79 7i1b s GLU 25 Cb 0.48 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.62 7i1b s GLU 25 CO 0.05 -0.06 -0.16 -0.51 0.02 0.00 0.00 175.26 174.59 7i1b s LEU 26 N 0.39 2.42 0.00 1.80 1.43 -1.26 -2.52 118.68 120.93 7i1b s LEU 26 Ca -0.03 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 7i1b s LEU 26 Cb -0.04 -0.68 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 7i1b s LEU 26 CO -0.01 -0.09 -0.02 -0.54 0.23 0.00 0.00 176.35 175.92 7i1b s LYS 27 N -2.73 0.15 -0.22 1.70 1.02 0.50 -2.41 119.74 117.74 7i1b s LYS 27 Ca 0.12 -0.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.98 7i1b s LYS 27 Cb -0.05 -0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.13 7i1b s LYS 27 CO 0.05 0.03 -0.04 0.00 -0.92 0.00 0.00 175.35 174.46 7i1b s ALA 28 N -0.13 2.81 0.38 5.17 0.00 -1.08 -0.29 121.76 128.63 7i1b s ALA 28 Ca -0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 7i1b s ALA 28 Cb -0.01 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.45 7i1b s ALA 28 CO -0.00 -0.43 0.74 -0.48 0.00 0.00 0.00 175.76 175.59 7i1b s LEU 29 N 1.48 0.16 0.11 0.00 0.05 -1.03 -4.18 118.68 115.28 7i1b s LEU 29 Ca 0.06 -1.20 -0.31 0.00 0.05 0.00 0.00 54.13 52.73 7i1b s LEU 29 Cb -0.14 2.64 -0.08 0.00 -2.05 0.00 0.00 46.19 46.56 7i1b s LEU 29 CO -0.03 -1.63 1.34 -1.00 -0.55 0.00 0.00 176.35 174.47 7i1b s HIS 30 N -2.42 3.29 -0.09 3.48 3.76 -1.26 -2.47 115.29 119.58 7i1b s HIS 30 Ca 0.18 1.06 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 7i1b s HIS 30 Cb -0.04 -3.62 0.01 0.00 1.11 0.00 0.00 32.58 30.04 7i1b s HIS 30 CO 0.13 -2.09 -0.15 -1.17 -0.85 0.00 0.00 174.74 170.61 7i1b s LEU 31 N 0.94 1.74 -0.13 0.89 2.96 -1.26 -4.96 118.68 118.85 7i1b s LEU 31 Ca 0.62 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 7i1b s LEU 31 Cb -0.35 -1.02 0.07 0.00 0.50 0.00 0.00 46.19 45.39 7i1b s LEU 31 CO 0.31 0.05 0.70 -1.58 -1.32 0.00 0.00 176.35 174.51 7i1b s GLN 32 N 0.74 0.97 0.56 1.98 2.00 -1.26 -4.92 119.66 119.73 7i1b s GLN 32 Ca -0.12 0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.76 7i1b s GLN 32 Cb -0.16 0.46 0.00 0.00 0.80 0.00 0.00 33.01 34.12 7i1b s GLN 32 CO 0.03 -0.25 0.00 0.41 -0.50 0.00 0.00 175.29 174.98 7i1b n GLY 33 N 1.54 -1.80 0.44 2.59 0.00 -1.26 -4.17 105.19 102.53 7i1b n GLY 33 Ca -0.17 -1.78 0.26 0.00 0.00 0.00 0.00 46.02 44.32 7i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 7i1b h GLN 34 N 0.00 0.11 0.00 1.61 -0.00 -2.05 0.50 115.11 115.28 7i1b h GLN 34 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 7i1b h GLN 34 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.46 7i1b h GLN 34 CO 0.00 0.07 0.00 -3.47 -0.00 0.00 0.00 178.83 175.43 7i1b n ASP 35 N -4.35 0.00 0.22 0.06 2.03 -1.26 -2.06 116.55 111.20 7i1b n ASP 35 Ca 0.18 -0.04 0.08 0.00 0.52 0.00 0.00 54.79 55.53 7i1b n ASP 35 Cb 0.87 -0.03 0.52 0.00 -0.72 0.00 0.00 41.12 41.75 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 0.00 0.00 -0.67 -0.00 -0.22 -2.02 114.93 112.02 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 0.25 0.00 -0.85 -0.00 0.00 0.00 176.91 176.31 7i1b n GLU 37 N -3.80 0.23 -0.64 -0.10 -0.00 -0.87 -2.66 120.64 112.78 7i1b n GLU 37 Ca -0.01 0.13 -0.11 0.00 -0.00 0.00 0.00 57.16 57.17 7i1b n GLU 37 Cb 0.34 -1.50 0.12 0.00 -0.00 0.00 0.00 31.44 30.40 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 7i1b n GLN 38 N -1.24 1.90 -3.32 3.44 6.02 -0.76 -4.88 117.38 118.55 7i1b n GLN 38 Ca 0.07 -1.65 -0.38 0.00 -0.01 0.00 0.00 57.00 55.02 7i1b n GLN 38 Cb 0.09 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.61 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 7i1b s GLN 39 N -1.82 4.30 0.69 -1.09 0.00 -1.09 -4.55 119.66 116.10 7i1b s GLN 39 Ca 0.31 0.40 -0.09 0.00 -0.00 0.00 0.00 55.36 55.98 7i1b s GLN 39 Cb 0.26 -3.47 0.04 0.00 0.00 0.00 0.00 33.01 29.84 7i1b s GLN 39 CO 0.06 0.09 1.03 0.08 0.00 0.00 0.00 175.29 176.56 7i1b s VAL 40 N 0.84 2.99 -0.14 3.63 1.01 -1.08 -5.02 120.40 122.63 7i1b s VAL 40 Ca 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 7i1b s VAL 40 Cb -0.15 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 33.00 7i1b s VAL 40 CO 0.10 -0.32 0.00 -0.69 0.00 0.00 0.00 175.10 174.18 7i1b s VAL 41 N -3.26 0.61 0.20 2.92 1.01 -1.26 -4.65 120.40 115.96 7i1b s VAL 41 Ca 0.58 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 7i1b s VAL 41 Cb -0.11 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 7i1b s VAL 41 CO 0.48 0.06 0.52 -0.36 0.00 0.00 0.00 175.10 175.80 7i1b s PHE 42 N 1.85 3.47 -0.71 5.22 0.40 -0.21 -2.22 117.98 125.78 7i1b s PHE 42 Ca 0.02 0.86 -0.11 0.00 -0.60 0.00 0.00 56.93 57.09 7i1b s PHE 42 Cb -0.15 -2.24 0.18 0.00 0.51 0.00 0.00 43.02 41.33 7i1b s PHE 42 CO -0.07 0.33 0.62 0.45 0.70 0.00 0.00 175.22 177.25 7i1b s SER 43 N -2.24 6.25 0.20 1.36 0.15 0.15 -0.16 113.70 119.41 7i1b s SER 43 Ca 0.44 -2.52 -0.30 0.00 0.70 0.00 0.00 55.95 54.27 7i1b s SER 43 Cb -0.12 -2.11 -0.09 0.00 -1.71 0.00 0.00 66.02 61.99 7i1b s SER 43 CO 0.21 -0.58 1.37 -0.32 1.20 0.00 0.00 173.24 175.12 7i1b s MET 44 N 0.44 4.34 -0.09 5.44 1.75 0.35 -2.63 119.30 128.90 7i1b s MET 44 Ca 0.14 2.14 0.00 0.00 -1.25 0.00 0.00 55.69 56.72 7i1b s MET 44 Cb -0.17 -3.18 0.02 0.00 2.84 0.00 0.00 34.83 34.35 7i1b s MET 44 CO -0.05 -0.35 -0.07 -1.12 -0.65 0.00 0.00 175.02 172.78 7i1b s SER 45 N 0.52 1.83 -0.29 1.11 0.01 -0.69 0.28 113.70 116.48 7i1b s SER 45 Ca 0.59 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.32 7i1b s SER 45 Cb -0.38 -0.72 -0.01 0.00 0.21 0.00 0.00 66.02 65.12 7i1b s SER 45 CO 0.38 -0.09 1.45 -0.36 0.41 0.00 0.00 173.24 175.02 7i1b s PHE 46 N 1.45 2.39 0.54 2.43 0.08 -1.17 -0.54 117.98 123.16 7i1b s PHE 46 Ca -0.01 0.71 0.04 0.00 0.12 0.00 0.00 56.93 57.80 7i1b s PHE 46 Cb -0.13 -4.01 0.04 0.00 -0.57 0.00 0.00 43.02 38.35 7i1b s PHE 46 CO -0.04 -2.23 0.36 1.33 -0.10 0.00 0.00 175.22 174.54 7i1b n VAL 47 N 6.49 0.00 -3.17 -0.44 0.24 -1.04 -4.59 118.33 115.82 7i1b n VAL 47 Ca 0.17 -2.19 -0.33 0.00 -2.04 0.00 0.00 64.34 59.95 7i1b n VAL 47 Cb 0.46 0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.80 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 7i1b s GLN 48 N -4.19 4.03 0.00 7.34 0.74 -0.08 -4.75 119.66 122.74 7i1b s GLN 48 Ca 0.28 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.34 7i1b s GLN 48 Cb -0.02 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.51 7i1b s GLN 48 CO 0.18 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 7i1b n GLY 49 N -0.06 -1.54 3.56 2.59 0.00 -1.26 -4.69 105.19 103.80 7i1b n GLY 49 Ca 0.02 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.12 0.24 -2.81 1.61 1.02 -1.26 -4.87 120.64 114.45 7i1b n GLU 50 Ca 0.00 -1.69 -0.42 0.00 -0.02 0.00 0.00 57.16 55.03 7i1b n GLU 50 Cb 0.00 -3.73 -0.03 0.00 -0.02 0.00 0.00 31.44 27.66 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 7i1b s GLU 51 N 8.12 4.33 0.00 3.49 -1.05 -1.26 -4.67 118.70 127.66 7i1b s GLU 51 Ca 0.79 1.16 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 7i1b s GLU 51 Cb -0.02 -3.57 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 7i1b s GLU 51 CO 0.21 -0.36 0.00 0.45 0.95 0.00 0.00 175.26 176.50 7i1b n SER 52 N 5.30 0.00 -0.02 0.83 2.88 -0.70 -5.01 113.62 116.91 7i1b n SER 52 Ca 0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 7i1b n SER 52 Cb 0.48 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.89 -0.00 -3.46 2.85 -1.26 -4.48 115.26 109.79 7i1b n ASN 53 Ca 0.00 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 7i1b n ASN 53 Cb 0.00 -0.06 -0.01 0.00 1.24 0.00 0.00 39.78 40.95 7i1b n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 7i1b n ASP 54 N -3.04 4.78 -4.51 1.20 5.68 -1.26 -4.95 116.55 114.45 7i1b n ASP 54 Ca -0.16 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.70 7i1b n ASP 54 Cb 1.03 0.86 -0.06 0.00 -1.14 0.00 0.00 41.12 41.81 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 7i1b s LYS 55 N -2.05 3.30 -0.52 0.11 1.02 -1.26 -4.01 119.74 116.32 7i1b s LYS 55 Ca -0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 7i1b s LYS 55 Cb 0.00 -4.00 0.14 0.00 -0.52 0.00 0.00 37.83 33.45 7i1b s LYS 55 CO 0.04 -1.19 0.31 0.42 -0.92 0.00 0.00 175.35 174.00 7i1b s ILE 56 N 3.19 3.26 0.11 2.17 1.01 -1.05 -1.72 121.20 128.16 7i1b s ILE 56 Ca 0.25 -2.73 -0.31 0.00 0.00 0.00 0.00 60.65 57.86 7i1b s ILE 56 Cb -0.14 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 39.04 7i1b s ILE 56 CO 0.19 -0.79 1.71 -2.84 0.00 0.00 0.00 174.94 173.21 7i1b s PRO 57 N 0.30 4.17 0.00 2.79 0.02 -1.26 -2.19 135.00 138.84 7i1b s PRO 57 Ca 0.14 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.60 7i1b s PRO 57 Cb -0.22 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.79 7i1b s PRO 57 CO -0.03 -0.76 0.00 1.33 -0.33 0.00 0.00 177.00 177.21 7i1b n VAL 58 N 4.60 0.00 -3.60 3.83 0.24 -0.98 -2.49 118.33 119.92 7i1b n VAL 58 Ca 0.16 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.27 7i1b n VAL 58 Cb 0.39 0.00 -0.15 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 -0.10 -0.46 2.33 0.00 0.30 -2.49 121.76 119.33 7i1b s ALA 59 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 7i1b s ALA 59 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.13 7i1b s ALA 59 CO 0.00 -0.88 0.74 -0.51 0.00 0.00 0.00 175.76 175.12 7i1b s LEU 60 N 2.28 4.38 -0.10 0.00 1.43 -1.26 -1.69 118.68 123.72 7i1b s LEU 60 Ca 0.04 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 7i1b s LEU 60 Cb -0.14 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.27 7i1b s LEU 60 CO -0.08 -0.91 -0.16 -0.83 0.23 0.00 0.00 176.35 174.60 7i1b s GLY 61 N 2.23 1.04 -0.06 -3.19 0.00 -1.08 -2.64 107.32 103.63 7i1b s GLY 61 Ca 0.26 -0.71 -0.37 0.00 0.00 0.00 0.00 44.72 43.91 7i1b s GLY 61 CO 0.20 0.12 1.65 1.04 0.00 0.00 0.00 173.10 176.11 7i1b n LEU 62 N 4.02 2.60 -0.26 0.66 4.77 -0.85 0.30 117.00 128.25 7i1b n LEU 62 Ca -0.20 1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 56.80 7i1b n LEU 62 Cb 0.52 -1.26 0.06 0.00 -2.33 0.00 0.00 43.42 40.40 7i1b n LEU 62 CO 0.25 -0.46 1.17 0.50 -1.33 0.00 0.00 177.39 177.52 7i1b h LYS 63 N 6.83 0.93 0.28 3.23 3.64 -1.74 -3.18 116.57 126.55 7i1b h LYS 63 Ca -0.47 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 7i1b h LYS 63 Cb 1.30 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 7i1b h LYS 63 CO 0.90 0.61 -0.14 0.93 -2.27 0.00 0.00 179.45 179.49 7i1b h GLU 64 N 0.96 -0.36 -6.16 1.90 5.08 -1.88 -3.46 114.58 110.66 7i1b h GLU 64 Ca 0.27 0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 58.15 7i1b h GLU 64 Cb -0.09 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 7i1b h GLU 64 CO -0.06 -0.02 -0.48 0.15 -1.00 0.00 0.00 179.01 177.60 7i1b s LYS 65 N -4.11 3.25 -0.14 2.33 -0.14 -1.20 -4.98 119.74 114.75 7i1b s LYS 65 Ca -0.13 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.68 7i1b s LYS 65 Cb 0.01 -2.80 0.16 0.00 -1.68 0.00 0.00 37.83 33.53 7i1b s LYS 65 CO 0.49 0.45 1.45 0.27 -0.76 0.00 0.00 175.35 177.25 7i1b n ASN 66 N -1.02 3.95 -4.65 2.83 0.23 -1.26 -3.93 115.26 111.41 7i1b n ASN 66 Ca -0.08 -2.53 -0.40 0.00 -0.53 0.00 0.00 54.58 51.04 7i1b n ASN 66 Cb 0.56 -0.72 -0.07 0.00 -2.08 0.00 0.00 39.78 37.47 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 -0.92 4.11 -0.18 -4.53 1.43 -1.26 -2.66 118.68 114.67 7i1b s LEU 67 Ca 0.16 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 7i1b s LEU 67 Cb 0.13 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 7i1b s LEU 67 CO 0.02 -0.27 -0.01 -0.31 0.23 0.00 0.00 176.35 176.02 7i1b s TYR 68 N 2.02 3.07 0.47 0.29 1.51 -0.30 -2.00 117.35 122.40 7i1b s TYR 68 Ca 0.25 -0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 55.80 7i1b s TYR 68 Cb -0.16 -2.02 -0.09 0.00 -0.11 0.00 0.00 41.96 39.58 7i1b s TYR 68 CO 0.09 -0.07 1.16 1.28 -1.11 0.00 0.00 175.55 176.90 7i1b n LEU 69 N 3.78 3.76 -3.80 -1.29 4.77 -1.08 -2.61 117.00 120.53 7i1b n LEU 69 Ca -0.17 1.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.71 7i1b n LEU 69 Cb 0.52 -1.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 7i1b n LEU 69 CO 0.33 -1.07 -0.12 -0.94 -1.33 0.00 0.00 177.39 174.26 7i1b s SER 70 N -0.75 -0.21 -0.36 -1.43 1.04 0.16 -4.52 113.70 107.63 7i1b s SER 70 Ca 0.65 0.38 -0.16 0.00 0.48 0.00 0.00 55.95 57.31 7i1b s SER 70 Cb -0.50 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 7i1b s SER 70 CO 0.55 -0.12 0.37 0.00 0.98 0.00 0.00 173.24 175.02 7i1b s VAL 72 N 2.02 1.22 -0.02 0.00 -7.23 -0.97 -4.85 120.40 110.57 7i1b s VAL 72 Ca 0.12 -1.59 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 7i1b s VAL 72 Cb -0.17 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 7i1b s VAL 72 CO 0.12 -0.38 0.89 -0.76 -0.31 0.00 0.00 175.10 174.66 7i1b s LEU 73 N -2.25 4.36 -0.92 1.32 1.43 -1.26 -1.51 118.68 119.84 7i1b s LEU 73 Ca 0.05 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 7i1b s LEU 73 Cb -0.06 -3.41 0.24 0.00 0.03 0.00 0.00 46.19 43.00 7i1b s LEU 73 CO 0.02 -0.20 0.93 0.29 0.23 0.00 0.00 176.35 177.62 7i1b n LYS 74 N 3.82 3.01 -1.99 1.70 4.76 0.90 -4.58 118.16 125.78 7i1b n LYS 74 Ca 0.03 -4.51 -0.00 0.00 -2.87 0.00 0.00 58.31 50.96 7i1b n LYS 74 Cb 0.51 -2.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 7i1b n LYS 74 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 7i1b n ASP 75 N 2.01 -2.01 0.00 4.39 8.00 -1.26 -3.36 116.55 124.32 7i1b n ASP 75 Ca 0.24 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.72 7i1b n ASP 75 Cb 0.37 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.09 -4.85 -4.14 -2.24 8.00 -1.26 -4.96 116.55 106.01 7i1b n ASP 76 Ca -0.01 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 7i1b n ASP 76 Cb 0.50 -2.35 -0.13 0.00 -0.02 0.00 0.00 41.12 39.12 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 -1.24 2.18 0.40 -1.24 2.36 -1.21 -5.06 119.74 115.93 7i1b s LYS 77 Ca 0.00 -1.53 -0.25 0.00 -2.55 0.00 0.00 55.97 51.64 7i1b s LYS 77 Cb 0.00 -3.34 -0.11 0.00 -1.05 0.00 0.00 37.83 33.33 7i1b s LYS 77 CO 0.00 -0.82 1.01 -2.30 1.55 0.00 0.00 175.35 174.79 7i1b n PRO 78 N 4.58 1.37 -3.84 4.03 -0.02 -1.26 -0.07 135.00 139.79 7i1b n PRO 78 Ca -0.07 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 7i1b n PRO 78 Cb 0.42 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.24 0.02 -0.19 3.45 2.01 -0.57 -4.70 115.64 114.41 7i1b s THR 79 Ca 0.62 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.52 7i1b s THR 79 Cb -0.58 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 7i1b s THR 79 CO 0.57 -0.08 0.09 -0.22 -0.69 0.00 0.00 174.62 174.30 7i1b s LEU 80 N -2.92 3.96 0.10 4.42 2.96 -1.26 -2.30 118.68 123.63 7i1b s LEU 80 Ca 0.13 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 7i1b s LEU 80 Cb -0.02 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 7i1b s LEU 80 CO 0.02 0.17 -0.00 -1.10 -1.32 0.00 0.00 176.35 174.11 7i1b s GLN 81 N 0.43 0.81 -0.15 1.98 -1.52 -0.04 -4.82 119.66 116.35 7i1b s GLN 81 Ca 0.05 -1.35 -0.02 0.00 -1.95 0.00 0.00 55.36 52.09 7i1b s GLN 81 Cb -0.12 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.74 7i1b s GLN 81 CO -0.00 -0.15 -0.08 -0.51 -0.25 0.00 0.00 175.29 174.31 7i1b s LEU 82 N -3.01 2.99 -0.01 2.90 1.43 -1.26 0.39 118.68 122.11 7i1b s LEU 82 Ca 0.15 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 7i1b s LEU 82 Cb 0.07 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 7i1b s LEU 82 CO -0.04 0.14 -0.08 -0.70 0.23 0.00 0.00 176.35 175.90 7i1b s GLU 83 N 0.51 0.70 -0.26 1.70 2.12 -1.07 -4.94 118.70 117.45 7i1b s GLU 83 Ca -0.06 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 7i1b s GLU 83 Cb -0.15 -0.67 0.00 0.00 0.26 0.00 0.00 34.13 33.57 7i1b s GLU 83 CO 0.03 0.17 1.17 0.45 -0.54 0.00 0.00 175.26 176.55 7i1b s SER 84 N -0.16 6.90 0.19 -1.70 0.15 -1.26 -1.15 113.70 116.67 7i1b s SER 84 Ca 0.03 1.30 0.05 0.00 0.70 0.00 0.00 55.95 58.03 7i1b s SER 84 Cb -0.04 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 7i1b s SER 84 CO -0.00 -0.86 0.22 0.68 1.20 0.00 0.00 173.24 174.48 7i1b s VAL 85 N 3.71 4.79 -0.85 4.45 -7.23 -1.09 -4.97 120.40 119.22 7i1b s VAL 85 Ca 0.50 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 7i1b s VAL 85 Cb -0.16 -3.51 -0.20 0.00 0.56 0.00 0.00 36.38 33.07 7i1b s VAL 85 CO 0.15 -0.20 2.40 -0.67 -0.31 0.00 0.00 175.10 176.47 7i1b n ASP 86 N -0.77 0.33 0.00 4.85 2.03 -1.26 -4.67 116.55 117.06 7i1b n ASP 86 Ca -0.08 0.24 0.05 0.00 0.52 0.00 0.00 54.79 55.52 7i1b n ASP 86 Cb 0.56 -0.84 0.27 0.00 -0.72 0.00 0.00 41.12 40.39 7i1b n ASP 86 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 7i1b n PRO 87 N 7.68 0.24 -0.12 -0.67 -0.05 -1.26 -1.22 135.00 139.59 7i1b n PRO 87 Ca 0.59 0.08 -0.21 0.00 -0.05 0.00 0.00 63.50 63.91 7i1b n PRO 87 Cb 0.02 -1.50 -0.10 0.00 -0.05 0.00 0.00 33.50 31.86 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 7i1b n LYS 88 N -1.12 0.58 0.03 0.54 5.02 -1.26 -4.58 118.16 117.37 7i1b n LYS 88 Ca 0.06 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 7i1b n LYS 88 Cb 0.05 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.47 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 -0.38 0.07 -3.03 4.39 2.35 -1.88 -3.46 115.58 113.64 7i1b h ASN 89 Ca -0.59 -0.10 -0.57 0.00 -0.55 0.00 0.00 56.30 54.49 7i1b h ASN 89 Cb 1.73 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 40.05 7i1b h ASN 89 CO -0.21 1.08 -0.35 -0.31 -1.65 0.00 0.00 177.43 175.99 7i1b s TYR 90 N -2.65 3.48 0.28 1.19 2.02 -0.35 -3.68 117.35 117.63 7i1b s TYR 90 Ca -0.03 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.82 7i1b s TYR 90 Cb 0.09 -1.92 -0.09 0.00 -0.40 0.00 0.00 41.96 39.64 7i1b s TYR 90 CO 0.83 0.45 1.08 -1.25 -1.57 0.00 0.00 175.55 175.08 7i1b s PRO 91 N -2.82 4.66 0.28 -1.71 0.04 -1.26 -4.66 135.00 129.52 7i1b s PRO 91 Ca 0.39 1.75 0.10 0.00 0.04 0.00 0.00 61.00 63.28 7i1b s PRO 91 Cb -0.12 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 7i1b s PRO 91 CO 0.27 0.24 -0.14 0.21 0.04 0.00 0.00 177.00 177.62 7i1b s LYS 92 N -1.44 1.61 0.32 4.56 2.20 -1.24 -4.56 119.74 121.19 7i1b s LYS 92 Ca 0.44 -1.77 0.03 0.00 -0.36 0.00 0.00 55.97 54.32 7i1b s LYS 92 Cb -0.31 -1.52 0.62 0.00 -1.51 0.00 0.00 37.83 35.12 7i1b s LYS 92 CO 0.39 0.21 1.91 -0.22 -0.36 0.00 0.00 175.35 177.29 7i1b h LYS 93 N 2.28 0.89 -6.09 4.03 3.64 -1.92 -3.42 116.57 115.98 7i1b h LYS 93 Ca -0.40 -0.05 -0.63 0.00 -1.27 0.00 0.00 60.65 58.29 7i1b h LYS 93 Cb 1.25 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 7i1b h LYS 93 CO 0.64 0.59 -0.57 0.21 -2.27 0.00 0.00 179.45 178.05 7i1b s LYS 94 N -5.82 3.07 0.03 1.90 2.20 -1.26 -0.91 119.74 118.95 7i1b s LYS 94 Ca -0.11 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 7i1b s LYS 94 Cb 0.20 -2.84 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 7i1b s LYS 94 CO 0.79 0.58 0.25 -1.64 -0.36 0.00 0.00 175.35 174.97 7i1b s MET 95 N -2.39 0.70 0.52 4.03 -1.94 -1.26 -4.98 119.30 113.98 7i1b s MET 95 Ca 0.31 -0.48 -0.19 0.00 -1.71 0.00 0.00 55.69 53.61 7i1b s MET 95 Cb -0.12 0.30 -0.07 0.00 2.01 0.00 0.00 34.83 36.95 7i1b s MET 95 CO 0.24 -0.21 1.07 -1.21 -0.01 0.00 0.00 175.02 174.90 7i1b s GLU 96 N -2.20 3.59 0.55 2.03 2.02 -1.26 -4.79 118.70 118.63 7i1b s GLU 96 Ca -0.08 1.43 0.33 0.00 0.02 0.00 0.00 54.97 56.67 7i1b s GLU 96 Cb -0.02 -2.06 1.49 0.00 0.10 0.00 0.00 34.13 33.64 7i1b s GLU 96 CO -0.02 -0.62 1.84 0.87 0.02 0.00 0.00 175.26 177.36 7i1b h LYS 97 N 1.30 0.00 -0.24 1.61 1.79 -1.92 0.37 116.57 119.49 7i1b h LYS 97 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 7i1b h LYS 97 Cb 1.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 7i1b h LYS 97 CO 0.58 0.00 0.15 0.00 -1.08 0.00 0.00 179.45 179.10 7i1b h ARG 98 N 0.00 0.31 -0.01 3.15 3.08 -1.89 -2.23 114.38 116.79 7i1b h ARG 98 Ca 0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.47 7i1b h ARG 98 Cb 1.85 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.83 7i1b h ARG 98 CO -0.00 0.21 -0.65 1.19 -1.07 0.00 0.00 179.97 179.64 7i1b n PHE 99 N -4.50 0.00 -2.93 3.04 3.72 0.13 -2.63 117.46 114.28 7i1b n PHE 99 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 7i1b n PHE 99 Cb 0.07 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 -2.51 4.72 -0.25 -4.37 1.01 -0.80 -4.43 120.40 113.77 7i1b s VAL 100 Ca 0.12 0.97 -0.05 0.00 0.00 0.00 0.00 61.98 63.02 7i1b s VAL 100 Cb 0.15 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.31 7i1b s VAL 100 CO 0.64 -0.42 0.01 -0.36 0.00 0.00 0.00 175.10 174.96 7i1b s PHE 101 N 3.13 3.05 -0.56 5.22 0.40 -1.04 -2.00 117.98 126.18 7i1b s PHE 101 Ca 0.32 -0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 55.39 7i1b s PHE 101 Cb -0.13 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.25 7i1b s PHE 101 CO 0.16 -0.56 1.47 -0.80 0.70 0.00 0.00 175.22 176.20 7i1b s ASN 102 N 1.48 6.03 -0.47 1.36 0.01 -0.91 -2.33 114.94 120.11 7i1b s ASN 102 Ca 0.04 0.32 -0.29 0.00 -0.71 0.00 0.00 52.86 52.22 7i1b s ASN 102 Cb -0.16 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 38.97 7i1b s ASN 102 CO -0.01 -1.78 1.36 -0.75 -1.51 0.00 0.00 177.10 174.41 7i1b s LYS 103 N 5.68 3.51 0.18 -0.60 2.20 -0.93 -2.45 119.74 127.33 7i1b s LYS 103 Ca 0.55 0.71 0.06 0.00 -0.36 0.00 0.00 55.97 56.92 7i1b s LYS 103 Cb -0.11 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 7i1b s LYS 103 CO 0.25 -1.65 0.12 0.42 -0.36 0.00 0.00 175.35 174.12 7i1b s ILE 104 N 5.46 4.36 -0.21 5.43 1.01 0.50 -2.54 121.20 135.21 7i1b s ILE 104 Ca 0.56 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 7i1b s ILE 104 Cb -0.11 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 7i1b s ILE 104 CO 0.30 -0.15 0.05 -1.61 0.00 0.00 0.00 174.94 173.53 7i1b s GLU 105 N -3.19 3.75 -0.13 2.79 2.02 -1.26 -0.23 118.70 122.45 7i1b s GLU 105 Ca 0.31 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.82 7i1b s GLU 105 Cb -0.10 -3.21 0.05 0.00 0.10 0.00 0.00 34.13 30.97 7i1b s GLU 105 CO 0.23 0.03 0.04 0.42 0.02 0.00 0.00 175.26 176.00 7i1b s ILE 106 N 1.01 0.23 -1.34 -1.63 -1.09 0.74 -4.85 121.20 114.27 7i1b s ILE 106 Ca 0.03 -0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.29 7i1b s ILE 106 Cb -0.14 -0.63 0.02 0.00 -1.58 0.00 0.00 42.46 40.13 7i1b s ILE 106 CO 0.03 -0.03 1.01 -3.20 -1.23 0.00 0.00 174.94 171.52 7i1b n ASN 107 N 5.18 -4.00 -0.75 3.58 5.15 -1.26 -1.01 115.26 122.15 7i1b n ASN 107 Ca -0.07 -0.66 -0.10 0.00 -0.60 0.00 0.00 54.58 53.16 7i1b n ASN 107 Cb 0.49 -4.66 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 7i1b n ASN 108 N -3.02 -4.53 -4.52 1.20 2.85 -1.26 -4.98 115.26 101.00 7i1b n ASN 108 Ca -0.12 0.24 -0.25 0.00 -0.11 0.00 0.00 54.58 54.35 7i1b n ASN 108 Cb 0.60 -2.89 -0.11 0.00 1.24 0.00 0.00 39.78 38.63 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 -2.66 1.80 0.12 1.20 -0.14 -0.18 -5.07 119.74 114.81 7i1b s LYS 109 Ca 0.00 -2.02 0.04 0.00 -1.36 0.00 0.00 55.97 52.64 7i1b s LYS 109 Cb 0.00 -1.18 -0.04 0.00 -1.68 0.00 0.00 37.83 34.93 7i1b s LYS 109 CO 0.00 -0.15 0.09 -0.51 -0.76 0.00 0.00 175.35 174.02 7i1b s LEU 110 N -3.59 3.74 -0.10 3.17 1.43 -0.78 -0.18 118.68 122.36 7i1b s LEU 110 Ca 0.34 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 7i1b s LEU 110 Cb 0.09 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.97 7i1b s LEU 110 CO 0.16 0.12 0.19 -0.70 0.23 0.00 0.00 176.35 176.35 7i1b s GLU 111 N -2.74 0.07 -0.28 1.70 2.12 0.68 -1.04 118.70 119.21 7i1b s GLU 111 Ca 0.30 0.59 -0.14 0.00 0.36 0.00 0.00 54.97 56.08 7i1b s GLU 111 Cb -0.11 -0.26 -0.04 0.00 0.26 0.00 0.00 34.13 33.98 7i1b s GLU 111 CO 0.22 -0.32 0.31 -0.06 -0.54 0.00 0.00 175.26 174.87 7i1b s PHE 112 N 2.33 3.24 -0.12 5.30 0.08 -1.26 -0.37 117.98 127.18 7i1b s PHE 112 Ca 0.03 0.30 -0.05 0.00 0.12 0.00 0.00 56.93 57.32 7i1b s PHE 112 Cb -0.12 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 7i1b s PHE 112 CO -0.07 -0.21 0.07 -2.00 -0.10 0.00 0.00 175.22 172.90 7i1b s GLU 113 N 1.97 3.37 -0.56 0.44 2.12 -1.03 -2.27 118.70 122.74 7i1b s GLU 113 Ca 0.12 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 54.89 7i1b s GLU 113 Cb -0.16 -3.03 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 7i1b s GLU 113 CO 0.10 0.64 1.65 0.45 -0.54 0.00 0.00 175.26 177.57 7i1b s SER 114 N -0.68 5.74 0.64 -1.70 0.15 -0.48 -2.13 113.70 115.23 7i1b s SER 114 Ca 0.12 0.43 0.15 0.00 0.70 0.00 0.00 55.95 57.34 7i1b s SER 114 Cb -0.12 -2.54 0.82 0.00 -1.71 0.00 0.00 66.02 62.47 7i1b s SER 114 CO 0.02 -1.99 1.45 0.00 1.20 0.00 0.00 173.24 173.92 7i1b h ALA 115 N 12.89 1.63 0.20 5.45 0.00 -1.54 0.29 119.26 138.18 7i1b h ALA 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 7i1b h ALA 115 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 7i1b h ALA 115 CO 1.18 -0.63 -0.10 0.37 0.00 0.00 0.00 179.25 180.07 7i1b h GLN 116 N 0.00 -0.26 -4.17 0.00 5.75 -1.81 -3.42 115.11 111.21 7i1b h GLN 116 Ca 0.00 0.02 -0.70 0.00 -0.15 0.00 0.00 58.65 57.81 7i1b h GLN 116 Cb 1.28 0.06 -0.34 0.00 1.07 0.00 0.00 27.48 29.55 7i1b h GLN 116 CO 0.00 -0.17 -0.45 -0.06 -2.65 0.00 0.00 178.83 175.50 7i1b s PHE 117 N -2.40 3.51 0.79 3.99 0.08 0.09 -5.08 117.98 118.97 7i1b s PHE 117 Ca -0.04 -2.39 -0.14 0.00 0.12 0.00 0.00 56.93 54.48 7i1b s PHE 117 Cb 0.00 -3.29 0.07 0.00 -0.57 0.00 0.00 43.02 39.23 7i1b s PHE 117 CO 0.12 -0.94 1.16 -2.30 -0.10 0.00 0.00 175.22 173.16 7i1b n PRO 118 N 4.32 0.25 0.00 0.24 -0.02 -1.22 -2.35 135.00 136.22 7i1b n PRO 118 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 7i1b n PRO 118 Cb 0.40 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 7i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 7i1b n ASN 119 N -2.98 0.00 -4.48 2.55 5.03 -1.26 -4.98 115.26 109.15 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.22 7i1b n ASN 119 Cb 0.50 0.00 -0.12 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 -2.08 3.12 0.38 3.10 0.52 -0.99 -4.69 118.94 118.30 7i1b s TRP 120 Ca 0.00 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.82 7i1b s TRP 120 Cb 0.00 -2.27 0.01 0.00 -1.15 0.00 0.00 33.47 30.06 7i1b s TRP 120 CO 0.00 -0.32 0.10 0.66 0.02 0.00 0.00 176.95 177.41 7i1b n TYR 121 N 4.96 0.30 -3.22 -1.98 4.02 -0.73 -1.38 117.16 119.12 7i1b n TYR 121 Ca -0.16 -1.77 -0.39 0.00 -0.01 0.00 0.00 57.90 55.57 7i1b n TYR 121 Cb 0.51 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.51 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 -2.21 5.13 0.21 -0.72 1.01 -0.96 -1.25 121.20 122.40 7i1b s ILE 122 Ca 0.07 1.10 0.02 0.00 0.00 0.00 0.00 60.65 61.84 7i1b s ILE 122 Cb -0.01 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 7i1b s ILE 122 CO 0.05 0.26 0.02 -0.44 0.00 0.00 0.00 174.94 174.83 7i1b s SER 123 N 0.80 1.38 0.12 3.58 0.01 -0.43 -4.48 113.70 114.68 7i1b s SER 123 Ca 0.29 -1.24 0.04 0.00 1.31 0.00 0.00 55.95 56.35 7i1b s SER 123 Cb -0.16 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 7i1b s SER 123 CO 0.12 -0.59 -0.10 0.42 0.41 0.00 0.00 173.24 173.50 7i1b s THR 124 N -3.61 0.99 -0.29 1.44 -4.23 -0.78 -2.66 115.64 106.50 7i1b s THR 124 Ca 0.28 -1.85 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 7i1b s THR 124 Cb 0.06 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 7i1b s THR 124 CO 0.08 -0.68 0.38 -0.55 -0.54 0.00 0.00 174.62 173.30 7i1b s SER 125 N -2.82 6.25 0.54 3.99 0.15 -1.26 -2.65 113.70 117.90 7i1b s SER 125 Ca 0.11 0.19 0.39 0.00 0.70 0.00 0.00 55.95 57.34 7i1b s SER 125 Cb 0.01 -2.21 1.58 0.00 -1.71 0.00 0.00 66.02 63.69 7i1b s SER 125 CO -0.01 -0.23 1.75 -0.61 1.20 0.00 0.00 173.24 175.35 7i1b h GLN 126 N 8.24 0.01 -6.29 5.44 4.15 -1.96 -3.42 115.11 121.29 7i1b h GLN 126 Ca -0.31 -0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.58 7i1b h GLN 126 Cb 1.16 -0.00 0.23 0.00 0.21 0.00 0.00 27.48 29.08 7i1b h GLN 126 CO 0.66 0.01 -1.53 0.00 -1.93 0.00 0.00 178.83 176.04 7i1b n ALA 127 N -2.79 -4.58 -2.20 3.38 0.00 -1.26 -4.90 120.51 108.16 7i1b n ALA 127 Ca 0.30 -0.80 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 7i1b n ALA 127 Cb 1.40 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 4.25 -0.59 0.00 0.41 -1.26 -4.44 118.70 114.45 7i1b s GLU 128 Ca 0.46 0.80 -0.12 0.00 -0.41 0.00 0.00 54.97 55.70 7i1b s GLU 128 Cb -0.15 -3.14 0.02 0.00 -1.78 0.00 0.00 34.13 29.08 7i1b s GLU 128 CO 0.75 0.56 0.64 -1.71 -0.49 0.00 0.00 175.26 175.02 7i1b n ASN 129 N 1.39 -7.09 -3.87 -0.19 5.15 -1.26 -5.03 115.26 104.36 7i1b n ASN 129 Ca -0.07 0.02 -0.16 0.00 -0.60 0.00 0.00 54.58 53.76 7i1b n ASN 129 Cb 0.51 -4.27 -0.15 0.00 -0.53 0.00 0.00 39.78 35.33 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 7i1b s MET 130 N -3.04 0.31 0.70 1.20 -1.94 -1.26 -5.04 119.30 110.23 7i1b s MET 130 Ca 0.15 -0.01 -0.16 0.00 -1.71 0.00 0.00 55.69 53.96 7i1b s MET 130 Cb -0.03 -0.40 0.02 0.00 2.01 0.00 0.00 34.83 36.43 7i1b s MET 130 CO 0.80 -0.05 1.20 -1.25 -0.01 0.00 0.00 175.02 175.72 7i1b s PRO 131 N 0.55 2.31 0.49 2.03 0.04 -1.26 -2.62 135.00 136.54 7i1b s PRO 131 Ca -0.05 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 7i1b s PRO 131 Cb -0.08 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 7i1b s PRO 131 CO -0.01 -1.70 0.96 0.08 0.04 0.00 0.00 177.00 176.37 7i1b s VAL 132 N -1.94 4.54 0.39 -0.36 1.01 -1.01 -4.64 120.40 118.39 7i1b s VAL 132 Ca 0.74 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.77 7i1b s VAL 132 Cb -0.29 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.44 7i1b s VAL 132 CO 0.43 -0.63 0.78 0.72 0.00 0.00 0.00 175.10 176.40 7i1b s PHE 133 N -2.55 0.20 -0.21 5.22 -0.71 -1.09 -4.84 117.98 114.00 7i1b s PHE 133 Ca 0.58 -0.87 -0.10 0.00 -1.04 0.00 0.00 56.93 55.50 7i1b s PHE 133 Cb -0.10 0.81 -0.05 0.00 -1.21 0.00 0.00 43.02 42.47 7i1b s PHE 133 CO 0.29 -1.58 0.13 -1.17 -1.34 0.00 0.00 175.22 171.55 7i1b s LEU 134 N -3.09 4.17 0.40 -1.99 2.96 -1.26 -1.31 118.68 118.55 7i1b s LEU 134 Ca 0.17 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 7i1b s LEU 134 Cb -0.05 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 7i1b s LEU 134 CO 0.12 0.16 0.07 -0.83 -1.32 0.00 0.00 176.35 174.54 7i1b s GLY 135 N 0.51 2.48 -0.34 7.98 0.00 -0.38 -4.66 107.32 112.91 7i1b s GLY 135 Ca 0.08 -1.51 0.13 0.00 0.00 0.00 0.00 44.72 43.42 7i1b s GLY 135 CO -0.01 -1.93 1.06 0.61 0.00 0.00 0.00 173.10 172.84 7i1b n GLY 136 N -0.90 3.57 2.75 0.20 0.00 -1.26 -1.77 105.19 107.78 7i1b n GLY 136 Ca -0.07 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 7i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7i1b s THR 137 N -4.17 1.28 -0.64 2.61 2.01 -1.26 -5.02 115.64 110.45 7i1b s THR 137 Ca 0.37 -2.08 -0.26 0.00 0.31 0.00 0.00 61.69 60.03 7i1b s THR 137 Cb 0.41 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 7i1b s THR 137 CO -0.04 -0.78 2.15 -0.75 -0.69 0.00 0.00 174.62 174.51 7i1b s LYS 138 N 0.91 2.26 7.39 4.92 2.20 -1.26 -4.60 119.74 131.57 7i1b s LYS 138 Ca 0.14 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 7i1b s LYS 138 Cb -0.21 -4.62 0.00 0.00 -1.51 0.00 0.00 37.83 31.49 7i1b s LYS 138 CO -0.11 -3.30 0.00 0.41 -0.36 0.00 0.00 175.35 171.99 7i1b n GLY 139 N 6.16 2.12 7.00 5.54 0.00 -1.26 -4.96 105.19 119.79 7i1b n GLY 139 Ca 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.84 7i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7i1b n GLY 140 N 0.00 4.07 0.08 -0.02 0.00 -1.26 -2.56 105.19 105.49 7i1b n GLY 140 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 13.56 1.34 -2.52 1.61 0.00 -1.26 -4.97 117.38 125.13 7i1b n GLN 141 Ca 0.00 0.01 -0.37 0.00 -0.00 0.00 0.00 57.00 56.63 7i1b n GLN 141 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 30.24 28.80 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 -5.04 6.85 -0.68 1.69 1.11 -1.06 -4.77 116.67 114.77 7i1b s ASP 142 Ca -0.10 2.09 -0.21 0.00 0.18 0.00 0.00 52.55 54.51 7i1b s ASP 142 Cb 0.05 -2.59 0.09 0.00 1.07 0.00 0.00 42.92 41.53 7i1b s ASP 142 CO 0.62 -0.43 0.91 -0.63 1.18 0.00 0.00 175.17 176.83 7i1b s ILE 143 N -1.55 4.52 -0.13 0.77 1.01 -1.08 -4.33 121.20 120.41 7i1b s ILE 143 Ca 0.55 -0.70 0.18 0.00 0.00 0.00 0.00 60.65 60.68 7i1b s ILE 143 Cb -0.24 -4.64 -0.20 0.00 0.01 0.00 0.00 42.46 37.38 7i1b s ILE 143 CO 0.30 -1.37 0.58 0.35 0.00 0.00 0.00 174.94 174.80 7i1b n THR 144 N 5.75 1.01 -1.31 2.92 -2.24 -1.26 -1.88 114.28 117.28 7i1b n THR 144 Ca -0.02 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 7i1b n THR 144 Cb 0.45 -0.53 0.13 0.00 -2.10 0.00 0.00 70.33 68.28 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 -5.46 3.67 0.23 3.42 1.47 -1.26 -4.63 116.67 114.10 7i1b s ASP 145 Ca -0.06 1.39 -0.06 0.00 1.18 0.00 0.00 52.55 55.01 7i1b s ASP 145 Cb 0.09 -2.08 0.02 0.00 -0.34 0.00 0.00 42.92 40.61 7i1b s ASP 145 CO 0.83 -2.50 0.42 0.49 0.68 0.00 0.00 175.17 175.09 7i1b n PHE 146 N -3.79 -1.55 -3.58 2.11 3.72 -0.21 -4.37 117.46 109.80 7i1b n PHE 146 Ca 0.07 -1.26 -0.10 0.00 -0.05 0.00 0.00 57.45 56.11 7i1b n PHE 146 Cb 0.56 0.48 -0.10 0.00 -0.94 0.00 0.00 39.48 39.48 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 -2.53 -0.58 0.16 4.37 -4.23 0.14 -1.87 115.64 111.09 7i1b s THR 147 Ca 0.13 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 7i1b s THR 147 Cb -0.02 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 73.11 7i1b s THR 147 CO 0.09 0.03 0.37 -0.32 -0.54 0.00 0.00 174.62 174.26 7i1b s MET 148 N 2.55 3.57 -0.09 3.99 1.75 -1.26 -1.33 119.30 128.48 7i1b s MET 148 Ca 0.02 -0.19 -0.04 0.00 -1.25 0.00 0.00 55.69 54.23 7i1b s MET 148 Cb -0.13 -2.85 0.05 0.00 2.84 0.00 0.00 34.83 34.73 7i1b s MET 148 CO -0.13 0.45 0.21 -0.65 -0.65 0.00 0.00 175.02 174.25 7i1b s GLN 149 N -2.88 0.14 0.79 4.11 1.11 -0.95 -5.00 119.66 116.99 7i1b s GLN 149 Ca 0.40 0.51 -0.14 0.00 0.01 0.00 0.00 55.36 56.14 7i1b s GLN 149 Cb -0.12 -0.15 0.07 0.00 -1.01 0.00 0.00 33.01 31.80 7i1b s GLN 149 CO 0.26 -0.20 1.19 1.19 0.01 0.00 0.00 175.29 177.75 7i1b n PHE 150 N 4.52 1.29 -4.06 0.91 3.01 -1.26 -1.77 117.46 120.10 7i1b n PHE 150 Ca -0.20 0.41 -0.15 0.00 1.01 0.00 0.00 57.45 58.52 7i1b n PHE 150 Cb 0.52 -2.12 -0.03 0.00 -0.01 0.00 0.00 39.48 37.84 7i1b n PHE 150 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 7i1b s VAL 151 N -2.02 0.00 -0.04 -4.37 -7.23 -0.86 -4.76 120.40 101.11 7i1b s VAL 151 Ca 0.74 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.09 7i1b s VAL 151 Cb -0.30 -2.71 0.11 0.00 0.56 0.00 0.00 36.38 34.03 7i1b s VAL 151 CO 0.50 0.00 0.90 -0.55 -0.31 0.00 0.00 175.10 175.63 7i1b s SER 152 N -3.24 -0.39 0.00 4.85 0.15 -1.26 -4.75 113.70 109.07 7i1b s SER 152 Ca 0.29 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.09 7i1b s SER 152 Cb -0.01 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 7i1b s SER 152 CO 0.20 -0.56 0.00 -0.24 1.20 0.00 0.00 173.24 173.85