#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 0.64 -4.09 0.00 -0.04 -1.26 -4.72 135.00 125.53 7i1b n PRO 2 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 7i1b n PRO 2 Cb 0.00 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.46 0.05 -0.41 0.52 -7.23 -1.26 -4.78 120.40 107.75 7i1b s VAL 3 Ca 0.00 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 7i1b s VAL 3 Cb 0.00 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.84 7i1b s VAL 3 CO 0.00 -0.23 0.33 -0.13 -0.31 0.00 0.00 175.10 174.75 7i1b s ARG 4 N -4.05 2.99 0.60 4.82 3.00 -1.26 -5.07 118.95 119.98 7i1b s ARG 4 Ca 0.26 -0.97 -0.02 0.00 0.00 0.00 0.00 55.73 55.00 7i1b s ARG 4 Cb 0.05 -3.98 0.04 0.00 0.00 0.00 0.00 34.95 31.06 7i1b s ARG 4 CO 0.05 -0.77 0.85 -1.12 0.00 0.00 0.00 175.30 174.31 7i1b s SER 5 N 1.71 5.17 -0.24 0.23 0.01 -1.26 -3.20 113.70 116.11 7i1b s SER 5 Ca 0.06 0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 7i1b s SER 5 Cb -0.19 -1.01 0.12 0.00 0.21 0.00 0.00 66.02 65.15 7i1b s SER 5 CO 0.11 -1.26 0.31 -0.22 0.41 0.00 0.00 173.24 172.58 7i1b s LEU 6 N -4.92 -0.39 -0.01 2.44 2.96 0.54 -4.93 118.68 114.36 7i1b s LEU 6 Ca 0.58 -0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 54.08 7i1b s LEU 6 Cb -0.10 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 7i1b s LEU 6 CO 0.41 -0.32 1.22 0.20 -1.32 0.00 0.00 176.35 176.53 7i1b s ASN 7 N 2.44 7.04 -0.04 3.68 0.02 -1.26 0.22 114.94 127.04 7i1b s ASN 7 Ca 0.10 1.91 -0.29 0.00 -1.02 0.00 0.00 52.86 53.56 7i1b s ASN 7 Cb -0.15 -2.56 0.10 0.00 0.02 0.00 0.00 41.25 38.66 7i1b s ASN 7 CO -0.17 -0.56 0.88 0.00 0.02 0.00 0.00 177.10 177.26 7i1b s THR 9 N -2.47 2.19 -0.02 0.00 -4.23 -0.89 -1.73 115.64 108.48 7i1b s THR 9 Ca 0.01 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 7i1b s THR 9 Cb -0.01 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.61 7i1b s THR 9 CO -0.05 0.00 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.23 7i1b s LEU 10 N -4.60 1.59 0.13 4.79 1.43 -1.26 -2.39 118.68 118.37 7i1b s LEU 10 Ca 0.59 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 7i1b s LEU 10 Cb -0.06 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 7i1b s LEU 10 CO 0.37 -0.01 -0.13 -0.13 0.23 0.00 0.00 176.35 176.68 7i1b s ARG 11 N 0.49 1.02 0.00 1.70 0.52 0.05 -3.41 118.95 119.32 7i1b s ARG 11 Ca -0.06 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 7i1b s ARG 11 Cb -0.09 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.53 7i1b s ARG 11 CO -0.00 0.15 0.00 -0.40 0.02 0.00 0.00 175.30 175.07 7i1b n ASP 12 N 0.41 0.00 0.19 0.23 5.75 -0.63 -0.33 116.55 122.17 7i1b n ASP 12 Ca -0.15 -0.52 0.06 0.00 -0.01 0.00 0.00 54.79 54.18 7i1b n ASP 12 Cb 0.58 0.00 0.35 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 -0.10 -1.12 4.64 -1.91 -2.61 113.55 112.45 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 0.35 0.00 1.67 -0.87 0.00 0.00 176.83 177.98 7i1b n GLN 14 N -3.51 1.72 -0.79 4.77 -0.06 -1.26 -4.89 117.38 113.36 7i1b n GLN 14 Ca -0.00 -1.06 0.00 0.00 -2.00 0.00 0.00 57.00 53.93 7i1b n GLN 14 Cb 0.50 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 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 0.28 0.00 -2.09 3.69 7.27 -0.98 -5.03 117.38 120.53 7i1b n GLN 15 Ca 0.17 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.89 7i1b n GLN 15 Cb 0.35 -2.18 0.02 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 3.13 0.38 3.69 1.02 -1.26 -4.67 119.74 121.81 7i1b s LYS 16 Ca 0.00 1.78 0.07 0.00 0.02 0.00 0.00 55.97 57.84 7i1b s LYS 16 Cb 0.00 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 7i1b s LYS 16 CO 0.00 -1.07 0.43 -1.12 -0.92 0.00 0.00 175.35 172.68 7i1b s SER 17 N -1.60 5.52 -0.12 2.83 0.01 -0.90 -1.61 113.70 117.82 7i1b s SER 17 Ca 0.75 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 57.50 7i1b s SER 17 Cb -0.29 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 7i1b s SER 17 CO 0.32 -0.55 0.10 -0.76 0.41 0.00 0.00 173.24 172.76 7i1b s LEU 18 N -4.17 4.12 0.04 2.44 1.43 -1.22 -2.25 118.68 119.08 7i1b s LEU 18 Ca 0.47 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 7i1b s LEU 18 Cb -0.07 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 7i1b s LEU 18 CO 0.30 0.37 -0.13 0.68 0.23 0.00 0.00 176.35 177.79 7i1b s VAL 19 N -0.80 1.05 -0.70 -1.59 -7.23 0.70 -2.68 120.40 109.15 7i1b s VAL 19 Ca 0.13 -1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.05 7i1b s VAL 19 Cb -0.12 -0.97 0.09 0.00 0.56 0.00 0.00 36.38 35.94 7i1b s VAL 19 CO 0.03 -0.06 0.94 -0.32 -0.31 0.00 0.00 175.10 175.38 7i1b s MET 20 N -1.25 3.20 0.04 4.82 1.75 -1.26 -0.11 119.30 126.49 7i1b s MET 20 Ca 0.00 -1.14 -0.15 0.00 -1.25 0.00 0.00 55.69 53.15 7i1b s MET 20 Cb -0.08 -4.38 -0.32 0.00 2.84 0.00 0.00 34.83 32.88 7i1b s MET 20 CO 0.01 -1.75 1.05 1.03 -0.65 0.00 0.00 175.02 174.72 7i1b h SER 21 N 9.32 0.84 -1.60 1.11 0.87 -1.85 -3.48 113.55 118.76 7i1b h SER 21 Ca -0.19 -0.84 -0.64 0.00 -1.23 0.00 0.00 61.79 58.89 7i1b h SER 21 Cb 1.06 -0.27 -0.13 0.00 -0.44 0.00 0.00 62.40 62.62 7i1b h SER 21 CO 1.15 1.65 -0.50 -0.83 -0.53 0.00 0.00 176.83 177.77 7i1b s GLY 22 N -4.54 2.93 0.06 5.77 0.00 -1.17 -5.00 107.32 105.37 7i1b s GLY 22 Ca -0.09 -0.58 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 7i1b s GLY 22 CO 0.94 -2.03 1.43 -2.55 0.00 0.00 0.00 173.10 170.88 7i1b h PRO 23 N 1.49 -0.75 -0.76 2.90 0.11 -2.03 -3.06 132.00 129.90 7i1b h PRO 23 Ca -0.39 0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.28 7i1b h PRO 23 Cb 1.30 0.17 -0.28 0.00 0.11 0.00 0.00 31.00 32.31 7i1b h PRO 23 CO 0.64 -0.50 0.17 0.66 -0.21 0.00 0.00 178.00 178.76 7i1b n TYR 24 N -4.77 2.50 -4.37 0.65 4.01 -1.26 -4.97 117.16 108.95 7i1b n TYR 24 Ca -0.09 -2.27 -0.19 0.00 -0.16 0.00 0.00 57.90 55.18 7i1b n TYR 24 Cb 0.36 -0.85 -0.14 0.00 -0.31 0.00 0.00 39.34 38.40 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 -3.54 0.86 0.10 -0.72 2.02 -1.16 -4.49 118.70 111.78 7i1b s GLU 25 Ca 0.55 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.98 7i1b s GLU 25 Cb 0.45 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 7i1b s GLU 25 CO 0.02 0.21 -0.10 -0.51 0.02 0.00 0.00 175.26 174.91 7i1b s LEU 26 N -0.79 2.41 -0.01 1.80 1.43 -1.26 -2.87 118.68 119.38 7i1b s LEU 26 Ca 0.02 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 7i1b s LEU 26 Cb -0.06 -0.30 -0.00 0.00 0.03 0.00 0.00 46.19 45.86 7i1b s LEU 26 CO 0.00 -0.27 0.05 -0.54 0.23 0.00 0.00 176.35 175.83 7i1b s LYS 27 N -2.82 0.19 -0.24 1.70 1.02 0.84 -2.31 119.74 118.12 7i1b s LYS 27 Ca 0.06 -0.14 -0.06 0.00 0.02 0.00 0.00 55.97 55.85 7i1b s LYS 27 Cb -0.03 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 7i1b s LYS 27 CO -0.00 -0.03 0.03 0.00 -0.92 0.00 0.00 175.35 174.43 7i1b s ALA 28 N -0.50 3.04 0.36 5.17 0.00 -1.09 -0.21 121.76 128.52 7i1b s ALA 28 Ca -0.06 -1.16 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 7i1b s ALA 28 Cb -0.04 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.16 7i1b s ALA 28 CO 0.00 -0.49 0.63 -0.48 0.00 0.00 0.00 175.76 175.43 7i1b s LEU 29 N 1.56 0.48 0.11 0.00 0.05 -0.96 -3.96 118.68 115.97 7i1b s LEU 29 Ca 0.06 -1.29 -0.30 0.00 0.05 0.00 0.00 54.13 52.65 7i1b s LEU 29 Cb -0.15 2.17 -0.06 0.00 -2.05 0.00 0.00 46.19 46.10 7i1b s LEU 29 CO 0.01 -1.48 1.06 -1.00 -0.55 0.00 0.00 176.35 174.39 7i1b s HIS 30 N -2.75 3.64 -0.08 3.48 3.76 -1.26 -2.12 115.29 119.95 7i1b s HIS 30 Ca 0.23 1.62 0.01 0.00 -0.15 0.00 0.00 55.06 56.77 7i1b s HIS 30 Cb -0.03 -3.22 0.02 0.00 1.11 0.00 0.00 32.58 30.46 7i1b s HIS 30 CO 0.15 -0.41 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.35 7i1b s LEU 31 N 0.17 1.51 -0.09 0.89 2.96 -1.26 -4.96 118.68 117.89 7i1b s LEU 31 Ca 0.51 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 7i1b s LEU 31 Cb -0.27 -0.85 0.07 0.00 0.50 0.00 0.00 46.19 45.65 7i1b s LEU 31 CO 0.32 -0.02 0.69 -1.58 -1.32 0.00 0.00 176.35 174.44 7i1b s GLN 32 N 1.02 1.01 0.13 1.98 2.00 -1.26 -4.94 119.66 119.60 7i1b s GLN 32 Ca -0.08 0.40 0.00 0.00 -2.00 0.00 0.00 55.36 53.68 7i1b s GLN 32 Cb -0.15 0.48 0.00 0.00 0.80 0.00 0.00 33.01 34.14 7i1b s GLN 32 CO -0.01 -0.28 0.00 0.41 -0.50 0.00 0.00 175.29 174.91 7i1b n GLY 33 N 1.26 -2.93 0.19 2.59 0.00 -1.26 -4.15 105.19 100.89 7i1b n GLY 33 Ca -0.18 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.02 7i1b n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 4.20 -2.06 0.42 115.11 119.28 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.69 7i1b n ASP 35 N -2.19 0.00 0.00 1.46 2.03 -1.26 -3.22 116.55 113.37 7i1b n ASP 35 Ca -0.01 -0.64 0.07 0.00 0.52 0.00 0.00 54.79 54.73 7i1b n ASP 35 Cb 0.32 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.20 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 0.42 0.00 -0.67 -0.00 -0.39 -0.67 114.93 113.62 7i1b h MET 36 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 7i1b h MET 36 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.51 7i1b h MET 36 CO 0.00 0.28 0.37 1.05 -0.00 0.00 0.00 176.91 178.61 7i1b h GLU 37 N 0.43 0.00 -0.95 -0.10 4.11 -1.81 0.30 114.58 116.56 7i1b h GLU 37 Ca 0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.55 7i1b h GLU 37 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 7i1b h GLU 37 CO -0.04 0.00 0.07 1.04 0.07 0.00 0.00 179.01 180.15 7i1b n GLN 38 N -2.29 1.59 -3.73 1.06 6.02 -0.26 -4.80 117.38 114.98 7i1b n GLN 38 Ca -0.01 -0.68 -0.35 0.00 -0.01 0.00 0.00 57.00 55.95 7i1b n GLN 38 Cb 0.40 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.08 4.16 0.60 -1.09 -2.07 0.10 -4.59 119.66 115.70 7i1b s GLN 39 Ca 0.12 -0.23 -0.05 0.00 -1.82 0.00 0.00 55.36 53.38 7i1b s GLN 39 Cb 0.10 -3.43 0.02 0.00 -1.09 0.00 0.00 33.01 28.61 7i1b s GLN 39 CO 0.03 0.26 0.91 0.08 -1.32 0.00 0.00 175.29 175.25 7i1b s VAL 40 N 0.47 3.38 -0.05 3.63 1.01 -1.09 -5.02 120.40 122.73 7i1b s VAL 40 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 7i1b s VAL 40 Cb -0.11 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.94 7i1b s VAL 40 CO -0.01 -0.36 0.07 -0.69 0.00 0.00 0.00 175.10 174.11 7i1b s VAL 41 N -3.01 -0.12 0.26 2.92 1.01 -1.26 -4.75 120.40 115.45 7i1b s VAL 41 Ca 0.55 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.97 7i1b s VAL 41 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 7i1b s VAL 41 CO 0.44 0.17 0.42 -0.36 0.00 0.00 0.00 175.10 175.77 7i1b s PHE 42 N 2.17 3.47 -0.47 5.22 0.40 -0.71 -3.20 117.98 124.87 7i1b s PHE 42 Ca 0.05 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.50 7i1b s PHE 42 Cb -0.12 -1.71 0.13 0.00 0.51 0.00 0.00 43.02 41.82 7i1b s PHE 42 CO -0.03 0.34 0.27 0.45 0.70 0.00 0.00 175.22 176.95 7i1b s SER 43 N -3.86 5.24 0.38 1.36 0.15 0.15 -1.25 113.70 115.87 7i1b s SER 43 Ca 0.36 -2.29 -0.26 0.00 0.70 0.00 0.00 55.95 54.47 7i1b s SER 43 Cb -0.10 -1.83 -0.09 0.00 -1.71 0.00 0.00 66.02 62.29 7i1b s SER 43 CO 0.31 -0.49 1.15 -0.32 1.20 0.00 0.00 173.24 175.09 7i1b s MET 44 N 0.77 4.17 -0.04 5.44 1.75 0.13 -2.59 119.30 128.93 7i1b s MET 44 Ca 0.11 1.80 -0.02 0.00 -1.25 0.00 0.00 55.69 56.33 7i1b s MET 44 Cb -0.22 -2.75 0.03 0.00 2.84 0.00 0.00 34.83 34.73 7i1b s MET 44 CO -0.04 -0.20 0.05 -1.12 -0.65 0.00 0.00 175.02 173.06 7i1b s SER 45 N -1.13 1.09 -0.51 1.11 0.01 -0.63 0.20 113.70 113.84 7i1b s SER 45 Ca 0.55 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.59 7i1b s SER 45 Cb -0.30 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.77 7i1b s SER 45 CO 0.38 -0.23 1.58 -0.36 0.41 0.00 0.00 173.24 175.01 7i1b s PHE 46 N 2.05 2.08 0.71 2.43 0.40 -1.20 -0.87 117.98 123.59 7i1b s PHE 46 Ca 0.04 0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.97 7i1b s PHE 46 Cb -0.12 -4.27 0.14 0.00 0.51 0.00 0.00 43.02 39.27 7i1b s PHE 46 CO -0.03 -2.23 0.97 1.33 0.70 0.00 0.00 175.22 175.96 7i1b n VAL 47 N 7.06 0.00 -2.64 -0.44 0.24 -0.88 -4.66 118.33 117.01 7i1b n VAL 47 Ca 0.16 -1.67 -0.40 0.00 -2.04 0.00 0.00 64.34 60.39 7i1b n VAL 47 Cb 0.49 -0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 32.00 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 -5.05 4.76 0.00 7.34 2.00 0.11 -4.78 119.66 124.04 7i1b s GLN 48 Ca 0.66 1.60 0.00 0.00 -2.00 0.00 0.00 55.36 55.63 7i1b s GLN 48 Cb -0.04 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.51 7i1b s GLN 48 CO 0.44 0.37 0.00 0.41 -0.50 0.00 0.00 175.29 176.01 7i1b n GLY 49 N 1.48 -0.80 3.51 2.59 0.00 -1.26 -4.79 105.19 105.92 7i1b n GLY 49 Ca -0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 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 0.26 -2.56 1.61 1.02 -1.26 -4.81 120.64 114.90 7i1b n GLU 50 Ca 0.00 -0.47 -0.41 0.00 -0.02 0.00 0.00 57.16 56.26 7i1b n GLU 50 Cb 0.00 -2.37 -0.03 0.00 -0.02 0.00 0.00 31.44 29.02 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 7i1b s GLU 51 N 7.87 3.23 0.28 3.49 8.01 -1.26 -4.45 118.70 135.86 7i1b s GLU 51 Ca 1.06 -0.18 0.04 0.00 0.01 0.00 0.00 54.97 55.90 7i1b s GLU 51 Cb -0.44 -4.16 -0.02 0.00 -4.31 0.00 0.00 34.13 25.20 7i1b s GLU 51 CO 0.30 -2.09 0.28 0.45 0.01 0.00 0.00 175.26 174.21 7i1b n SER 52 N 9.25 -0.72 -0.42 -0.19 2.88 -1.21 -5.03 113.62 118.17 7i1b n SER 52 Ca 0.04 -2.74 0.14 0.00 -1.33 0.00 0.00 58.87 54.98 7i1b n SER 52 Cb 0.49 1.56 0.48 0.00 -0.75 0.00 0.00 64.21 65.99 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 -1.87 1.39 -0.02 -3.46 2.85 -1.26 -4.35 115.26 108.54 7i1b n ASN 53 Ca 0.05 -1.34 -0.06 0.00 -0.11 0.00 0.00 54.58 53.11 7i1b n ASN 53 Cb 0.49 0.03 -0.02 0.00 1.24 0.00 0.00 39.78 41.53 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 7i1b n ASP 54 N -0.03 0.76 -4.55 1.20 8.00 -1.26 -4.93 116.55 115.75 7i1b n ASP 54 Ca 0.17 0.12 -0.40 0.00 0.71 0.00 0.00 54.79 55.39 7i1b n ASP 54 Cb 0.36 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.17 3.60 -0.60 -1.24 1.02 -1.26 -4.05 119.74 115.05 7i1b s LYS 55 Ca -0.10 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.49 7i1b s LYS 55 Cb 0.03 -3.79 0.15 0.00 -0.52 0.00 0.00 37.83 33.71 7i1b s LYS 55 CO 0.13 -0.48 0.38 0.42 -0.92 0.00 0.00 175.35 174.88 7i1b s ILE 56 N 1.98 3.28 -0.07 2.17 1.01 -1.01 -3.34 121.20 125.22 7i1b s ILE 56 Ca 0.11 -3.17 -0.29 0.00 0.00 0.00 0.00 60.65 57.30 7i1b s ILE 56 Cb -0.17 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 7i1b s ILE 56 CO 0.11 -0.86 2.04 -2.84 0.00 0.00 0.00 174.94 173.39 7i1b s PRO 57 N -0.23 3.77 0.01 2.79 0.02 -1.26 -1.89 135.00 138.20 7i1b s PRO 57 Ca 0.17 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.55 7i1b s PRO 57 Cb -0.22 -4.23 -0.00 0.00 0.02 0.00 0.00 34.50 30.07 7i1b s PRO 57 CO -0.02 -1.38 0.00 1.33 -0.33 0.00 0.00 177.00 176.60 7i1b n VAL 58 N 6.37 0.00 -3.68 3.83 0.24 -1.04 -2.08 118.33 121.97 7i1b n VAL 58 Ca 0.23 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.34 62.33 7i1b n VAL 58 Cb 0.43 0.01 -0.15 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 -2.02 -0.23 -0.50 2.33 0.00 -0.04 -2.28 121.76 119.01 7i1b s ALA 59 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 7i1b s ALA 59 Cb 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.41 7i1b s ALA 59 CO 0.00 -0.49 0.63 -0.51 0.00 0.00 0.00 175.76 175.39 7i1b s LEU 60 N 2.08 4.94 -0.09 0.00 1.43 -1.26 -1.60 118.68 124.19 7i1b s LEU 60 Ca 0.00 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 7i1b s LEU 60 Cb -0.12 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.65 7i1b s LEU 60 CO -0.06 -0.89 -0.16 -0.83 0.23 0.00 0.00 176.35 174.64 7i1b s GLY 61 N 2.66 1.01 -0.06 -3.19 0.00 -1.07 -2.27 107.32 104.40 7i1b s GLY 61 Ca 0.15 -0.65 -0.36 0.00 0.00 0.00 0.00 44.72 43.86 7i1b s GLY 61 CO 0.12 0.02 1.70 1.04 0.00 0.00 0.00 173.10 175.99 7i1b n LEU 62 N 3.83 2.83 0.04 0.66 4.77 -0.38 0.34 117.00 129.10 7i1b n LEU 62 Ca -0.21 1.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.87 7i1b n LEU 62 Cb 0.52 -1.29 0.48 0.00 -2.33 0.00 0.00 43.42 40.79 7i1b n LEU 62 CO 0.26 -0.35 1.15 0.50 -1.33 0.00 0.00 177.39 177.62 7i1b h LYS 63 N 7.33 0.41 0.29 3.23 3.64 -1.83 -3.05 116.57 126.59 7i1b h LYS 63 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 7i1b h LYS 63 Cb 1.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 7i1b h LYS 63 CO 0.91 0.27 -0.14 0.93 -2.27 0.00 0.00 179.45 179.16 7i1b h GLU 64 N 0.43 -0.38 0.00 1.90 3.07 -1.87 -3.47 114.58 114.25 7i1b h GLU 64 Ca 0.14 0.03 -0.36 0.00 -0.50 0.00 0.00 59.36 58.67 7i1b h GLU 64 Cb 0.03 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 7i1b h GLU 64 CO -0.03 -0.04 -0.21 1.63 -1.40 0.00 0.00 179.01 178.97 7i1b n LYS 65 N -5.07 1.12 -1.52 2.33 5.02 -1.15 -5.03 118.16 113.86 7i1b n LYS 65 Ca -0.09 -2.07 -0.34 0.00 -2.02 0.00 0.00 58.31 53.80 7i1b n LYS 65 Cb 0.26 0.35 0.04 0.00 -0.02 0.00 0.00 35.03 35.67 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 -1.63 7.37 -4.64 4.39 0.23 -1.26 -4.19 115.26 115.53 7i1b n ASN 66 Ca -0.05 -3.66 -0.39 0.00 -0.53 0.00 0.00 54.58 49.95 7i1b n ASN 66 Cb 0.37 -1.05 -0.08 0.00 -2.08 0.00 0.00 39.78 36.94 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 -3.50 4.09 -0.19 -4.53 1.43 -1.26 -2.61 118.68 112.12 7i1b s LEU 67 Ca 0.56 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.11 7i1b s LEU 67 Cb 0.44 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 44.13 7i1b s LEU 67 CO -0.19 -0.17 -0.13 -0.31 0.23 0.00 0.00 176.35 175.78 7i1b s TYR 68 N 1.81 2.84 0.55 0.29 1.51 -1.02 -1.24 117.35 122.08 7i1b s TYR 68 Ca 0.19 -1.23 -0.20 0.00 -1.01 0.00 0.00 57.07 54.81 7i1b s TYR 68 Cb -0.15 -1.97 -0.07 0.00 -0.11 0.00 0.00 41.96 39.66 7i1b s TYR 68 CO 0.09 -0.62 0.93 1.28 -1.11 0.00 0.00 175.55 176.12 7i1b n LEU 69 N 4.51 3.08 -3.72 -1.29 4.32 -0.96 -2.56 117.00 120.38 7i1b n LEU 69 Ca -0.19 0.86 -0.13 0.00 -0.02 0.00 0.00 56.01 56.52 7i1b n LEU 69 Cb 0.51 -1.36 -0.09 0.00 -1.62 0.00 0.00 43.42 40.86 7i1b n LEU 69 CO 0.28 -1.87 0.11 -0.94 -1.22 0.00 0.00 177.39 173.75 7i1b s SER 70 N -1.09 -0.43 -0.25 -1.43 1.04 0.11 -4.50 113.70 107.15 7i1b s SER 70 Ca 0.71 0.77 -0.15 0.00 0.48 0.00 0.00 55.95 57.76 7i1b s SER 70 Cb -0.46 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 7i1b s SER 70 CO 0.51 -0.21 0.39 0.00 0.98 0.00 0.00 173.24 174.91 7i1b s VAL 72 N 1.89 0.96 0.06 0.00 -7.23 -0.99 -4.81 120.40 110.29 7i1b s VAL 72 Ca 0.16 -1.57 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 7i1b s VAL 72 Cb -0.15 -1.29 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 7i1b s VAL 72 CO 0.09 -0.50 0.77 -0.76 -0.31 0.00 0.00 175.10 174.39 7i1b s LEU 73 N -2.32 4.47 -0.58 1.32 1.43 -1.26 -1.31 118.68 120.44 7i1b s LEU 73 Ca 0.04 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 7i1b s LEU 73 Cb -0.04 -3.25 0.16 0.00 0.03 0.00 0.00 46.19 43.09 7i1b s LEU 73 CO 0.00 0.04 0.40 -0.54 0.23 0.00 0.00 176.35 176.49 7i1b s LYS 74 N -0.21 1.85 0.00 1.70 1.02 -0.42 -4.73 119.74 118.94 7i1b s LYS 74 Ca 0.38 -2.78 0.00 0.00 0.02 0.00 0.00 55.97 53.60 7i1b s LYS 74 Cb -0.21 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 7i1b s LYS 74 CO 0.24 -1.28 0.00 -0.25 -0.92 0.00 0.00 175.35 173.13 7i1b n ASP 75 N 2.51 -1.51 -0.07 2.83 8.00 -1.26 -3.69 116.55 123.35 7i1b n ASP 75 Ca 0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 7i1b n ASP 75 Cb 0.38 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.39 -4.68 -4.08 -2.24 8.00 -1.26 -4.97 116.55 107.71 7i1b n ASP 76 Ca 0.00 0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 7i1b n ASP 76 Cb 0.38 -2.27 -0.15 0.00 -0.02 0.00 0.00 41.12 39.06 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 -1.29 2.33 0.46 -1.24 2.20 -1.24 -5.08 119.74 115.87 7i1b s LYS 77 Ca 0.00 -1.29 -0.24 0.00 -0.36 0.00 0.00 55.97 54.08 7i1b s LYS 77 Cb 0.00 -2.87 -0.09 0.00 -1.51 0.00 0.00 37.83 33.36 7i1b s LYS 77 CO 0.00 -0.53 1.09 -2.30 -0.36 0.00 0.00 175.35 173.25 7i1b n PRO 78 N 4.46 1.46 -4.02 4.03 -0.02 -1.26 -1.30 135.00 138.34 7i1b n PRO 78 Ca -0.15 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 7i1b n PRO 78 Cb 0.43 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.29 0.00 -0.11 3.45 2.01 -0.42 -4.72 115.64 114.55 7i1b s THR 79 Ca 0.65 -1.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 7i1b s THR 79 Cb -0.51 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 7i1b s THR 79 CO 0.55 0.00 0.07 -0.22 -0.69 0.00 0.00 174.62 174.33 7i1b s LEU 80 N -3.04 3.94 0.04 4.42 2.96 -1.26 -2.34 118.68 123.40 7i1b s LEU 80 Ca 0.24 0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 7i1b s LEU 80 Cb 0.00 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.80 7i1b s LEU 80 CO 0.10 0.37 0.48 -1.58 -1.32 0.00 0.00 176.35 174.40 7i1b s GLN 81 N -0.80 0.99 -0.28 1.98 2.00 -0.62 -4.83 119.66 118.11 7i1b s GLN 81 Ca 0.13 -0.27 -0.12 0.00 -2.00 0.00 0.00 55.36 53.10 7i1b s GLN 81 Cb -0.12 0.45 -0.05 0.00 0.80 0.00 0.00 33.01 34.10 7i1b s GLN 81 CO 0.03 -0.35 0.22 -0.51 -0.50 0.00 0.00 175.29 174.18 7i1b s LEU 82 N -1.96 4.04 -0.12 3.68 1.43 -1.26 0.05 118.68 124.53 7i1b s LEU 82 Ca -0.05 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 7i1b s LEU 82 Cb -0.01 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 44.05 7i1b s LEU 82 CO -0.02 -0.08 -0.19 -0.70 0.23 0.00 0.00 176.35 175.59 7i1b s GLU 83 N 1.81 2.69 0.02 1.70 2.56 -1.06 -4.91 118.70 121.50 7i1b s GLU 83 Ca 0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 54.97 54.01 7i1b s GLU 83 Cb -0.16 -2.20 -0.06 0.00 2.00 0.00 0.00 34.13 33.71 7i1b s GLU 83 CO 0.11 -0.02 1.36 -1.54 -0.56 0.00 0.00 175.26 174.61 7i1b s SER 84 N 0.85 6.89 0.07 -1.70 1.04 -1.26 -2.43 113.70 117.17 7i1b s SER 84 Ca -0.08 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.46 7i1b s SER 84 Cb -0.15 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.40 7i1b s SER 84 CO -0.01 -0.67 0.00 1.33 0.98 0.00 0.00 173.24 174.87 7i1b n VAL 85 N 4.48 0.00 -2.84 5.02 0.24 -1.07 -4.96 118.33 119.19 7i1b n VAL 85 Ca 0.12 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 7i1b n VAL 85 Cb 0.44 -1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 31.66 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 6.72 0.00 -1.34 -1.08 -1.26 -4.89 116.67 113.82 7i1b s ASP 86 Ca 0.00 0.70 0.04 0.00 -0.52 0.00 0.00 52.55 52.77 7i1b s ASP 86 Cb 0.00 -2.45 0.17 0.00 -1.46 0.00 0.00 42.92 39.18 7i1b s ASP 86 CO 0.00 -0.75 1.06 -0.81 0.52 0.00 0.00 175.17 175.19 7i1b n PRO 87 N 6.52 0.02 -0.11 4.34 -0.05 -1.26 -1.27 135.00 143.19 7i1b n PRO 87 Ca 0.06 0.38 -0.23 0.00 -0.05 0.00 0.00 63.50 63.66 7i1b n PRO 87 Cb 0.48 -1.50 -0.11 0.00 -0.05 0.00 0.00 33.50 32.31 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 -1.43 0.63 -0.02 0.54 5.02 -1.26 -4.30 118.16 117.34 7i1b n LYS 88 Ca 0.01 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 7i1b n LYS 88 Cb 0.04 -1.56 0.58 0.00 -0.02 0.00 0.00 35.03 34.07 7i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 7i1b n ASN 89 N -3.78 0.78 -3.89 4.39 5.03 -1.00 -4.83 115.26 111.97 7i1b n ASN 89 Ca -0.46 -1.43 -0.11 0.00 0.87 0.00 0.00 54.58 53.46 7i1b n ASN 89 Cb 0.93 -0.03 -0.10 0.00 -1.02 0.00 0.00 39.78 39.55 7i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 7i1b s TYR 90 N -1.94 0.06 0.47 3.10 2.02 -0.39 -4.08 117.35 116.59 7i1b s TYR 90 Ca 0.36 -0.15 -0.21 0.00 -0.37 0.00 0.00 57.07 56.69 7i1b s TYR 90 Cb 0.18 -0.06 -0.08 0.00 -0.40 0.00 0.00 41.96 41.60 7i1b s TYR 90 CO 0.29 -0.25 1.07 -1.25 -1.57 0.00 0.00 175.55 173.84 7i1b s PRO 91 N -1.24 3.80 0.21 -1.71 0.04 -1.26 -4.53 135.00 130.30 7i1b s PRO 91 Ca -0.13 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.44 7i1b s PRO 91 Cb -0.07 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 7i1b s PRO 91 CO 0.01 -0.45 0.19 1.17 0.04 0.00 0.00 177.00 177.95 7i1b n LYS 92 N -0.77 0.27 0.04 4.56 4.81 -1.26 -4.75 118.16 121.06 7i1b n LYS 92 Ca 0.09 -2.03 0.13 0.00 -0.87 0.00 0.00 58.31 55.63 7i1b n LYS 92 Cb 0.51 1.69 0.44 0.00 0.02 0.00 0.00 35.03 37.68 7i1b n LYS 92 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 7i1b n LYS 93 N -0.39 0.13 -4.38 1.64 2.85 -1.26 -4.82 118.16 111.93 7i1b n LYS 93 Ca 0.04 0.08 -0.26 0.00 -1.05 0.00 0.00 58.31 57.13 7i1b n LYS 93 Cb 0.37 -1.63 -0.13 0.00 -0.65 0.00 0.00 35.03 32.99 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 -3.06 1.26 -0.16 -1.58 2.20 -1.26 -0.71 119.74 116.43 7i1b s LYS 94 Ca 0.11 -1.19 -0.14 0.00 -0.36 0.00 0.00 55.97 54.39 7i1b s LYS 94 Cb 0.16 -1.57 0.04 0.00 -1.51 0.00 0.00 37.83 34.95 7i1b s LYS 94 CO 0.60 0.37 0.42 -1.64 -0.36 0.00 0.00 175.35 174.75 7i1b s MET 95 N -1.85 0.49 0.45 4.03 -1.94 -1.26 -4.98 119.30 114.23 7i1b s MET 95 Ca 0.09 0.60 -0.25 0.00 -1.71 0.00 0.00 55.69 54.41 7i1b s MET 95 Cb -0.10 0.22 -0.08 0.00 2.01 0.00 0.00 34.83 36.88 7i1b s MET 95 CO 0.04 -0.06 1.43 -1.21 -0.01 0.00 0.00 175.02 175.21 7i1b s GLU 96 N 0.30 3.70 0.57 2.03 2.02 -1.26 -4.69 118.70 121.37 7i1b s GLU 96 Ca -0.01 2.43 0.37 0.00 0.02 0.00 0.00 54.97 57.77 7i1b s GLU 96 Cb -0.03 -2.67 1.46 0.00 0.10 0.00 0.00 34.13 32.99 7i1b s GLU 96 CO -0.00 -0.81 1.67 0.87 0.02 0.00 0.00 175.26 177.01 7i1b h LYS 97 N 2.35 0.00 -0.80 1.61 1.79 -1.93 0.61 116.57 120.20 7i1b h LYS 97 Ca -0.51 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.00 7i1b h LYS 97 Cb 1.26 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.87 7i1b h LYS 97 CO 0.61 0.00 0.53 0.00 -1.08 0.00 0.00 179.45 179.51 7i1b h ARG 98 N 0.00 0.96 0.00 3.15 3.08 -1.87 -1.99 114.38 117.71 7i1b h ARG 98 Ca 0.58 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.57 7i1b h ARG 98 Cb 2.56 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 32.40 7i1b h ARG 98 CO -0.01 0.63 -0.77 1.19 -1.07 0.00 0.00 179.97 179.94 7i1b n PHE 99 N -4.45 0.01 -2.86 3.04 3.72 0.21 -2.17 117.46 114.96 7i1b n PHE 99 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 7i1b n PHE 99 Cb 0.12 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 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 -3.01 4.85 -0.27 -4.37 1.01 -0.75 -4.47 120.40 113.40 7i1b s VAL 100 Ca 0.09 1.69 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 7i1b s VAL 100 Cb 0.17 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.43 7i1b s VAL 100 CO 0.79 -0.01 -0.05 -0.36 0.00 0.00 0.00 175.10 175.47 7i1b s PHE 101 N 2.33 3.19 -0.60 5.22 0.40 -0.97 -2.18 117.98 125.38 7i1b s PHE 101 Ca 0.39 -1.89 -0.26 0.00 -0.60 0.00 0.00 56.93 54.56 7i1b s PHE 101 Cb -0.16 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 7i1b s PHE 101 CO 0.11 -0.80 2.10 -0.80 0.70 0.00 0.00 175.22 176.53 7i1b s ASN 102 N 1.24 4.87 -0.55 1.36 0.02 -0.69 -2.49 114.94 118.69 7i1b s ASN 102 Ca -0.04 0.50 -0.28 0.00 -1.02 0.00 0.00 52.86 52.01 7i1b s ASN 102 Cb -0.19 -2.52 0.02 0.00 0.02 0.00 0.00 41.25 38.58 7i1b s ASN 102 CO -0.03 -2.68 1.37 -0.75 0.02 0.00 0.00 177.10 175.02 7i1b s LYS 103 N 7.59 3.37 0.21 -0.60 2.20 -0.79 -2.41 119.74 129.31 7i1b s LYS 103 Ca 0.80 0.45 0.06 0.00 -0.36 0.00 0.00 55.97 56.91 7i1b s LYS 103 Cb -0.14 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.05 7i1b s LYS 103 CO 0.20 -1.86 0.23 0.42 -0.36 0.00 0.00 175.35 173.98 7i1b s ILE 104 N 5.79 4.74 -0.17 5.43 1.01 0.37 -2.41 121.20 135.95 7i1b s ILE 104 Ca 0.51 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 7i1b s ILE 104 Cb -0.10 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 7i1b s ILE 104 CO 0.26 -0.25 -0.05 -1.61 0.00 0.00 0.00 174.94 173.29 7i1b s GLU 105 N -3.61 3.55 -0.24 2.79 2.02 -1.26 -0.26 118.70 121.69 7i1b s GLU 105 Ca 0.33 -0.57 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 7i1b s GLU 105 Cb -0.09 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.30 7i1b s GLU 105 CO 0.26 0.09 0.09 0.42 0.02 0.00 0.00 175.26 176.14 7i1b s ILE 106 N 0.74 0.26 -1.00 -1.63 -1.09 0.65 -4.86 121.20 114.27 7i1b s ILE 106 Ca -0.02 -0.69 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 7i1b s ILE 106 Cb -0.15 -1.03 -0.00 0.00 -1.58 0.00 0.00 42.46 39.71 7i1b s ILE 106 CO 0.02 -0.48 0.84 -3.20 -1.23 0.00 0.00 174.94 170.89 7i1b n ASN 107 N 5.13 -2.05 -0.68 3.58 4.05 -1.26 -2.00 115.26 122.03 7i1b n ASN 107 Ca -0.06 -0.52 -0.09 0.00 0.45 0.00 0.00 54.58 54.36 7i1b n ASN 107 Cb 0.45 -4.37 -0.04 0.00 1.23 0.00 0.00 39.78 37.05 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 7i1b n ASN 108 N -2.78 -5.38 -4.56 1.20 4.13 -1.26 -4.96 115.26 101.65 7i1b n ASN 108 Ca -0.24 0.22 -0.25 0.00 1.68 0.00 0.00 54.58 55.98 7i1b n ASN 108 Cb 0.64 -3.66 -0.10 0.00 -1.54 0.00 0.00 39.78 35.13 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 7i1b s LYS 109 N -2.60 1.88 0.15 3.52 1.02 -0.85 -5.05 119.74 117.81 7i1b s LYS 109 Ca 0.00 -1.85 0.03 0.00 0.02 0.00 0.00 55.97 54.18 7i1b s LYS 109 Cb 0.00 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 7i1b s LYS 109 CO 0.00 0.17 0.22 -0.51 -0.92 0.00 0.00 175.35 174.32 7i1b s LEU 110 N -3.63 4.15 -0.18 3.17 1.43 -0.79 -0.25 118.68 122.58 7i1b s LEU 110 Ca 0.33 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 7i1b s LEU 110 Cb 0.00 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.57 7i1b s LEU 110 CO 0.17 0.07 0.19 -1.61 0.23 0.00 0.00 176.35 175.40 7i1b s GLU 111 N -3.12 0.14 -0.32 1.70 0.41 0.64 -1.78 118.70 116.36 7i1b s GLU 111 Ca 0.33 0.22 -0.16 0.00 -0.41 0.00 0.00 54.97 54.96 7i1b s GLU 111 Cb -0.11 -1.15 -0.02 0.00 -1.78 0.00 0.00 34.13 31.08 7i1b s GLU 111 CO 0.27 -0.59 0.40 -0.06 -0.49 0.00 0.00 175.26 174.79 7i1b s PHE 112 N 2.29 3.21 -0.10 1.61 0.08 -1.26 -0.48 117.98 123.33 7i1b s PHE 112 Ca 0.05 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 7i1b s PHE 112 Cb -0.15 -2.70 -0.03 0.00 -0.57 0.00 0.00 43.02 39.57 7i1b s PHE 112 CO -0.10 -0.39 0.02 -2.00 -0.10 0.00 0.00 175.22 172.64 7i1b s GLU 113 N 2.13 3.18 -0.39 0.44 2.12 -1.01 -2.44 118.70 122.72 7i1b s GLU 113 Ca 0.15 -0.39 -0.28 0.00 0.36 0.00 0.00 54.97 54.81 7i1b s GLU 113 Cb -0.16 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 7i1b s GLU 113 CO 0.11 0.63 1.85 0.45 -0.54 0.00 0.00 175.26 177.76 7i1b s SER 114 N -0.67 5.70 0.60 -1.70 0.15 -0.40 -1.71 113.70 115.67 7i1b s SER 114 Ca 0.11 1.12 0.21 0.00 0.70 0.00 0.00 55.95 58.09 7i1b s SER 114 Cb -0.12 -2.53 1.17 0.00 -1.71 0.00 0.00 66.02 62.83 7i1b s SER 114 CO 0.02 -1.89 1.63 0.00 1.20 0.00 0.00 173.24 174.20 7i1b h ALA 115 N 13.61 1.43 0.00 5.45 0.00 -1.59 0.16 119.26 138.31 7i1b h ALA 115 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 7i1b h ALA 115 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 7i1b h ALA 115 CO 1.07 -0.43 -0.57 0.37 0.00 0.00 0.00 179.25 179.70 7i1b h GLN 116 N 0.00 0.00 -3.45 0.00 -0.00 -1.81 -3.42 115.11 106.43 7i1b h GLN 116 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 57.97 7i1b h GLN 116 Cb 0.90 0.00 -0.37 0.00 0.00 0.00 0.00 27.48 28.01 7i1b h GLN 116 CO 0.00 1.00 -0.39 -0.06 0.00 0.00 0.00 178.83 179.37 7i1b s PHE 117 N -2.28 3.43 0.71 3.99 0.08 0.04 -5.09 117.98 118.86 7i1b s PHE 117 Ca -0.23 -2.91 -0.16 0.00 0.12 0.00 0.00 56.93 53.75 7i1b s PHE 117 Cb 0.01 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.38 7i1b s PHE 117 CO 0.64 -0.78 1.08 -2.30 -0.10 0.00 0.00 175.22 173.76 7i1b n PRO 118 N 3.11 0.61 0.00 0.24 -0.02 -1.17 -2.27 135.00 135.50 7i1b n PRO 118 Ca 0.10 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 7i1b n PRO 118 Cb 0.36 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.96 0.00 -4.53 2.55 5.03 -1.26 -5.01 115.26 110.08 7i1b n ASN 119 Ca 0.14 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.25 7i1b n ASN 119 Cb 0.49 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 -2.66 3.04 0.45 3.10 0.52 -0.96 -4.74 118.94 117.68 7i1b s TRP 120 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 56.10 55.96 7i1b s TRP 120 Cb 0.00 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 7i1b s TRP 120 CO 0.00 0.06 0.12 0.71 0.02 0.00 0.00 176.95 177.86 7i1b s TYR 121 N 0.11 1.78 -0.08 -1.98 1.51 -1.01 -1.27 117.35 116.40 7i1b s TYR 121 Ca -0.00 -1.28 -0.20 0.00 -1.01 0.00 0.00 57.07 54.57 7i1b s TYR 121 Cb -0.13 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 7i1b s TYR 121 CO 0.03 -0.26 0.55 0.42 -1.11 0.00 0.00 175.55 175.18 7i1b s ILE 122 N -3.12 5.11 0.18 2.71 1.01 -1.02 -1.84 121.20 124.22 7i1b s ILE 122 Ca 0.18 1.13 -0.00 0.00 0.00 0.00 0.00 60.65 61.96 7i1b s ILE 122 Cb 0.01 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 7i1b s ILE 122 CO 0.12 0.32 0.07 -0.44 0.00 0.00 0.00 174.94 175.02 7i1b s SER 123 N 0.52 0.57 0.08 3.58 0.01 -0.63 -4.45 113.70 113.37 7i1b s SER 123 Ca 0.30 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 56.29 7i1b s SER 123 Cb -0.16 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 7i1b s SER 123 CO 0.13 -0.73 -0.06 0.42 0.41 0.00 0.00 173.24 173.41 7i1b s THR 124 N -3.96 0.56 -0.23 1.44 -4.23 -0.87 -2.64 115.64 105.70 7i1b s THR 124 Ca 0.30 -1.71 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 7i1b s THR 124 Cb 0.07 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 7i1b s THR 124 CO 0.07 -0.79 0.66 -0.55 -0.54 0.00 0.00 174.62 173.47 7i1b s SER 125 N -2.68 6.66 0.55 3.99 0.15 -1.26 -2.73 113.70 118.37 7i1b s SER 125 Ca 0.06 0.81 0.38 0.00 0.70 0.00 0.00 55.95 57.90 7i1b s SER 125 Cb 0.02 -2.36 1.55 0.00 -1.71 0.00 0.00 66.02 63.53 7i1b s SER 125 CO -0.05 -0.36 1.76 -0.61 1.20 0.00 0.00 173.24 175.19 7i1b h GLN 126 N 7.70 0.00 -6.29 5.44 4.15 -1.97 -3.42 115.11 120.72 7i1b h GLN 126 Ca -0.28 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.66 7i1b h GLN 126 Cb 1.13 0.00 0.25 0.00 0.21 0.00 0.00 27.48 29.06 7i1b h GLN 126 CO 0.79 0.00 -2.00 0.00 -1.93 0.00 0.00 178.83 175.69 7i1b n ALA 127 N -2.75 -5.09 -2.35 3.38 0.00 -1.26 -4.92 120.51 107.51 7i1b n ALA 127 Ca 0.27 -1.33 -0.35 0.00 0.00 0.00 0.00 53.44 52.03 7i1b n ALA 127 Cb 1.33 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.63 3.95 -0.55 0.00 2.02 -1.26 -4.52 118.70 115.71 7i1b s GLU 128 Ca 0.45 0.47 -0.26 0.00 0.02 0.00 0.00 54.97 55.64 7i1b s GLU 128 Cb 0.00 -2.86 0.04 0.00 0.10 0.00 0.00 34.13 31.42 7i1b s GLU 128 CO 0.66 0.43 0.65 -1.71 0.02 0.00 0.00 175.26 175.31 7i1b n ASN 129 N 0.58 -5.69 -4.00 -0.19 2.85 -1.25 -4.99 115.26 102.56 7i1b n ASN 129 Ca -0.04 -0.27 -0.18 0.00 -0.11 0.00 0.00 54.58 53.97 7i1b n ASN 129 Cb 0.52 -2.18 -0.15 0.00 1.24 0.00 0.00 39.78 39.21 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 7i1b s MET 130 N -3.07 0.72 0.52 1.20 -1.94 -1.26 -5.00 119.30 110.48 7i1b s MET 130 Ca 0.27 -0.28 -0.22 0.00 -1.71 0.00 0.00 55.69 53.75 7i1b s MET 130 Cb -0.03 -0.70 -0.06 0.00 2.01 0.00 0.00 34.83 36.06 7i1b s MET 130 CO 0.87 0.15 1.33 -1.25 -0.01 0.00 0.00 175.02 176.10 7i1b s PRO 131 N -0.05 3.29 0.55 2.03 0.04 -1.26 -2.69 135.00 136.91 7i1b s PRO 131 Ca 0.01 2.16 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 7i1b s PRO 131 Cb -0.05 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 7i1b s PRO 131 CO -0.00 -1.04 1.00 0.08 0.04 0.00 0.00 177.00 177.08 7i1b s VAL 132 N -1.34 4.59 0.31 -0.36 1.01 -0.98 -4.63 120.40 119.00 7i1b s VAL 132 Ca 0.69 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 7i1b s VAL 132 Cb -0.38 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.28 7i1b s VAL 132 CO 0.46 -0.85 0.84 0.72 0.00 0.00 0.00 175.10 176.27 7i1b s PHE 133 N -2.82 0.04 -0.21 5.22 -0.71 -1.08 -4.87 117.98 113.54 7i1b s PHE 133 Ca 0.58 -0.59 -0.10 0.00 -1.04 0.00 0.00 56.93 55.77 7i1b s PHE 133 Cb -0.10 0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 42.43 7i1b s PHE 133 CO 0.40 -1.33 0.14 -1.17 -1.34 0.00 0.00 175.22 171.91 7i1b s LEU 134 N -3.10 4.13 0.11 -1.99 2.96 -1.26 -1.60 118.68 117.93 7i1b s LEU 134 Ca 0.16 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 7i1b s LEU 134 Cb -0.04 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 7i1b s LEU 134 CO 0.09 0.13 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.32 7i1b s GLY 135 N 0.65 0.87 -0.77 7.98 0.00 -0.77 -4.62 107.32 110.66 7i1b s GLY 135 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.53 7i1b s GLY 135 CO 0.01 -1.35 1.72 0.61 0.00 0.00 0.00 173.10 174.09 7i1b n GLY 136 N 0.34 5.74 2.69 0.20 0.00 -1.26 -2.41 105.19 110.48 7i1b n GLY 136 Ca -0.14 -2.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.00 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 -5.02 1.45 -0.59 2.61 2.01 -1.26 -5.04 115.64 109.80 7i1b s THR 137 Ca 0.49 -2.81 -0.26 0.00 0.31 0.00 0.00 61.69 59.42 7i1b s THR 137 Cb 0.38 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 7i1b s THR 137 CO -0.30 -0.96 2.10 -1.59 -0.69 0.00 0.00 174.62 173.18 7i1b s LYS 138 N 0.06 2.37 6.97 4.92 -2.85 -1.26 -4.59 119.74 125.36 7i1b s LYS 138 Ca 0.21 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 7i1b s LYS 138 Cb -0.17 -4.52 0.00 0.00 -2.06 0.00 0.00 37.83 31.08 7i1b s LYS 138 CO -0.05 -3.06 0.00 0.41 0.10 0.00 0.00 175.35 172.75 7i1b n GLY 139 N 5.93 2.06 7.00 0.59 0.00 -1.26 -4.97 105.19 114.53 7i1b n GLY 139 Ca 0.29 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 4.33 0.08 -0.02 0.00 -1.26 -2.80 105.19 105.52 7i1b n GLY 140 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 13.80 1.39 -2.18 1.61 0.00 -1.26 -4.99 117.38 125.75 7i1b n GLN 141 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.68 7i1b n GLN 141 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 30.24 28.84 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 -4.99 6.23 -0.51 1.69 1.01 -1.12 -4.80 116.67 114.17 7i1b s ASP 142 Ca -0.09 1.65 -0.19 0.00 0.71 0.00 0.00 52.55 54.63 7i1b s ASP 142 Cb 0.05 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.53 7i1b s ASP 142 CO 0.61 -0.86 0.61 -0.63 0.21 0.00 0.00 175.17 175.11 7i1b s ILE 143 N -2.63 4.91 -0.13 0.77 1.01 -1.11 -4.45 121.20 119.58 7i1b s ILE 143 Ca 0.60 -0.61 0.18 0.00 0.00 0.00 0.00 60.65 60.82 7i1b s ILE 143 Cb -0.12 -4.30 -0.20 0.00 0.01 0.00 0.00 42.46 37.85 7i1b s ILE 143 CO 0.36 -0.81 0.57 0.35 0.00 0.00 0.00 174.94 175.42 7i1b n THR 144 N 5.56 0.97 -1.51 2.92 -2.24 -1.26 -2.06 114.28 116.66 7i1b n THR 144 Ca -0.08 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.73 7i1b n THR 144 Cb 0.45 -0.50 0.12 0.00 -2.10 0.00 0.00 70.33 68.30 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 -5.43 3.78 0.14 3.42 -4.77 -1.26 -4.63 116.67 107.92 7i1b s ASP 145 Ca -0.06 1.11 -0.03 0.00 -3.30 0.00 0.00 52.55 50.27 7i1b s ASP 145 Cb 0.09 -1.75 0.01 0.00 -1.09 0.00 0.00 42.92 40.19 7i1b s ASP 145 CO 0.84 -2.39 0.24 0.49 0.70 0.00 0.00 175.17 175.04 7i1b n PHE 146 N -3.68 -1.21 -3.66 2.11 3.72 -0.74 -4.40 117.46 109.60 7i1b n PHE 146 Ca 0.07 -0.74 -0.07 0.00 -0.05 0.00 0.00 57.45 56.66 7i1b n PHE 146 Cb 0.58 0.28 -0.08 0.00 -0.94 0.00 0.00 39.48 39.32 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 -2.64 -0.67 0.31 4.37 -4.23 0.55 -1.89 115.64 111.45 7i1b s THR 147 Ca 0.08 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 7i1b s THR 147 Cb -0.01 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 7i1b s THR 147 CO 0.06 0.05 0.46 0.00 -0.54 0.00 0.00 174.62 174.65 7i1b s MET 148 N 2.56 3.37 -0.06 3.99 0.23 -1.26 -0.77 119.30 127.35 7i1b s MET 148 Ca -0.04 -0.65 -0.03 0.00 -1.03 0.00 0.00 55.69 53.95 7i1b s MET 148 Cb -0.11 -2.78 0.04 0.00 -1.53 0.00 0.00 34.83 30.44 7i1b s MET 148 CO -0.15 0.22 0.14 -0.65 -2.03 0.00 0.00 175.02 172.56 7i1b s GLN 149 N -4.17 0.10 0.38 3.16 -1.52 -1.01 -4.95 119.66 111.65 7i1b s GLN 149 Ca 0.39 0.35 -0.27 0.00 -1.95 0.00 0.00 55.36 53.87 7i1b s GLN 149 Cb -0.09 -0.15 -0.09 0.00 -0.22 0.00 0.00 33.01 32.45 7i1b s GLN 149 CO 0.32 -0.15 1.33 -0.06 -0.25 0.00 0.00 175.29 176.48 7i1b s PHE 150 N 1.05 2.86 0.05 0.91 0.40 -1.26 -2.10 117.98 119.89 7i1b s PHE 150 Ca -0.08 1.38 0.01 0.00 -0.60 0.00 0.00 56.93 57.64 7i1b s PHE 150 Cb -0.10 -3.72 -0.00 0.00 0.51 0.00 0.00 43.02 39.71 7i1b s PHE 150 CO -0.05 -2.13 0.05 1.33 0.70 0.00 0.00 175.22 175.12 7i1b n VAL 151 N 0.37 0.00 -3.74 -0.44 0.24 -0.63 -4.90 118.33 109.24 7i1b n VAL 151 Ca 0.02 -0.36 -0.05 0.00 -2.04 0.00 0.00 64.34 61.91 7i1b n VAL 151 Cb 0.42 0.19 -0.01 0.00 -1.47 0.00 0.00 33.84 32.97 7i1b n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 7i1b n SER 152 N -2.66 -0.45 0.00 -1.34 7.64 -1.26 -4.73 113.62 110.82 7i1b n SER 152 Ca 0.01 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.25 7i1b n SER 152 Cb 0.09 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 7i1b n SER 152 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49