#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 0.87 -1.18 0.00 -0.04 -1.26 -4.75 135.00 128.64 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.32 0.00 -3.61 0.52 0.24 -1.26 -5.01 118.33 109.53 7i1b n VAL 3 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 7i1b n VAL 3 Cb 0.33 -0.46 -0.17 0.00 -1.47 0.00 0.00 33.84 32.07 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 7i1b s ARG 4 N -1.08 0.06 0.50 7.34 0.52 -1.26 -5.08 118.95 119.95 7i1b s ARG 4 Ca 0.00 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 7i1b s ARG 4 Cb 0.00 -1.81 0.03 0.00 0.52 0.00 0.00 34.95 33.69 7i1b s ARG 4 CO 0.00 -0.68 0.69 -1.12 0.02 0.00 0.00 175.30 174.21 7i1b s SER 5 N 2.14 5.42 -0.27 0.23 0.01 -1.26 -2.13 113.70 117.84 7i1b s SER 5 Ca 0.02 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.08 7i1b s SER 5 Cb -0.16 -0.75 0.15 0.00 0.21 0.00 0.00 66.02 65.46 7i1b s SER 5 CO -0.10 -0.99 0.40 -0.22 0.41 0.00 0.00 173.24 172.73 7i1b s LEU 6 N -4.59 -0.72 -0.16 2.44 2.96 0.72 -4.90 118.68 114.42 7i1b s LEU 6 Ca 0.57 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 7i1b s LEU 6 Cb -0.10 1.13 -0.02 0.00 0.50 0.00 0.00 46.19 47.70 7i1b s LEU 6 CO 0.36 -0.33 1.29 0.20 -1.32 0.00 0.00 176.35 176.56 7i1b s ASN 7 N 2.55 6.91 0.08 3.68 0.02 -1.26 -0.10 114.94 126.81 7i1b s ASN 7 Ca 0.12 1.71 -0.25 0.00 -1.02 0.00 0.00 52.86 53.41 7i1b s ASN 7 Cb -0.14 -2.54 0.07 0.00 0.02 0.00 0.00 41.25 38.66 7i1b s ASN 7 CO -0.23 -0.79 0.60 0.00 0.02 0.00 0.00 177.10 176.70 7i1b s THR 9 N -2.83 2.81 -0.05 0.00 -4.23 -0.97 -1.21 115.64 109.16 7i1b s THR 9 Ca -0.03 -1.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 7i1b s THR 9 Cb -0.01 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.93 7i1b s THR 9 CO -0.05 0.00 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.17 7i1b s LEU 10 N -4.31 1.60 -0.06 4.79 1.43 -1.26 -2.45 118.68 118.42 7i1b s LEU 10 Ca 0.53 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 7i1b s LEU 10 Cb -0.08 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.46 7i1b s LEU 10 CO 0.32 0.02 -0.17 -0.60 0.23 0.00 0.00 176.35 176.15 7i1b s ARG 11 N 0.61 1.92 1.06 1.70 3.52 -0.55 -3.44 118.95 123.76 7i1b s ARG 11 Ca -0.11 -0.59 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 7i1b s ARG 11 Cb -0.14 -1.60 0.26 0.00 -1.56 0.00 0.00 34.95 31.91 7i1b s ARG 11 CO 0.02 0.17 1.05 -0.40 -0.81 0.00 0.00 175.30 175.34 7i1b n ASP 12 N 3.39 -1.44 0.10 -2.12 5.75 -0.45 -0.74 116.55 121.04 7i1b n ASP 12 Ca -0.20 -1.20 0.12 0.00 -0.01 0.00 0.00 54.79 53.51 7i1b n ASP 12 Cb 0.53 -0.92 0.46 0.00 -1.03 0.00 0.00 41.12 40.16 7i1b n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 7i1b n SER 13 N -4.46 0.60 -0.58 -1.12 3.41 -1.26 -2.33 113.62 107.88 7i1b n SER 13 Ca 0.14 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.47 7i1b n SER 13 Cb 0.53 -0.76 0.34 0.00 -0.26 0.00 0.00 64.21 64.06 7i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 7i1b n GLN 14 N -2.13 1.76 -0.93 4.33 7.27 -1.26 -4.88 117.38 121.55 7i1b n GLN 14 Ca 0.03 -1.15 0.00 0.00 0.07 0.00 0.00 57.00 55.96 7i1b n GLN 14 Cb 0.28 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.55 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 0.38 0.00 -2.11 3.69 7.27 -0.99 -5.02 117.38 120.60 7i1b n GLN 15 Ca 0.15 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.91 7i1b n GLN 15 Cb 0.33 -2.53 -0.01 0.00 2.41 0.00 0.00 30.24 30.44 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 -0.07 3.73 0.31 3.69 1.02 -1.26 -4.83 119.74 122.33 7i1b s LYS 16 Ca 0.00 0.81 0.10 0.00 0.02 0.00 0.00 55.97 56.90 7i1b s LYS 16 Cb 0.00 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 7i1b s LYS 16 CO 0.00 -0.43 -0.07 -1.12 -0.92 0.00 0.00 175.35 172.81 7i1b s SER 17 N -3.73 4.02 -0.08 2.83 0.01 -1.00 -1.34 113.70 114.40 7i1b s SER 17 Ca 0.56 -0.96 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 7i1b s SER 17 Cb -0.11 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 7i1b s SER 17 CO 0.45 -0.10 0.42 -0.76 0.41 0.00 0.00 173.24 173.65 7i1b s LEU 18 N -3.63 4.34 0.04 2.44 1.43 -1.22 -2.42 118.68 119.65 7i1b s LEU 18 Ca 0.32 0.81 0.05 0.00 -1.03 0.00 0.00 54.13 54.28 7i1b s LEU 18 Cb -0.02 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 7i1b s LEU 18 CO 0.18 0.14 -0.15 0.68 0.23 0.00 0.00 176.35 177.43 7i1b s VAL 19 N -0.02 1.16 -0.44 -1.59 -7.23 0.98 -2.61 120.40 110.65 7i1b s VAL 19 Ca 0.23 -0.98 -0.27 0.00 -1.81 0.00 0.00 61.98 59.15 7i1b s VAL 19 Cb -0.15 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.77 7i1b s VAL 19 CO 0.10 0.05 1.00 -0.32 -0.31 0.00 0.00 175.10 175.62 7i1b s MET 20 N -1.07 3.69 -0.08 4.82 1.75 -1.26 0.08 119.30 127.23 7i1b s MET 20 Ca 0.02 0.43 0.20 0.00 -1.25 0.00 0.00 55.69 55.10 7i1b s MET 20 Cb -0.08 -3.88 -0.27 0.00 2.84 0.00 0.00 34.83 33.44 7i1b s MET 20 CO 0.01 -1.20 0.38 0.43 -0.65 0.00 0.00 175.02 174.00 7i1b n SER 21 N 7.28 0.12 -3.14 1.11 7.64 -0.84 -4.97 113.62 120.82 7i1b n SER 21 Ca 0.09 0.05 -0.17 0.00 1.01 0.00 0.00 58.87 59.84 7i1b n SER 21 Cb 0.48 1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 65.01 7i1b n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 7i1b n GLY 22 N 1.45 2.56 0.44 0.23 0.00 -0.75 -5.00 105.19 104.12 7i1b n GLY 22 Ca -0.15 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 7i1b n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7i1b h PRO 23 N 0.00 -0.95 -0.82 1.61 0.11 -2.03 -3.16 132.00 126.76 7i1b h PRO 23 Ca -0.25 0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.36 7i1b h PRO 23 Cb 1.20 0.22 -0.33 0.00 0.11 0.00 0.00 31.00 32.19 7i1b h PRO 23 CO 0.35 -0.63 0.00 0.66 -0.21 0.00 0.00 178.00 178.18 7i1b n TYR 24 N -5.09 2.79 -3.72 0.65 4.01 -1.26 -4.95 117.16 109.59 7i1b n TYR 24 Ca -0.12 -2.49 -0.15 0.00 -0.16 0.00 0.00 57.90 54.98 7i1b n TYR 24 Cb 0.42 -0.84 -0.15 0.00 -0.31 0.00 0.00 39.34 38.46 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 -3.65 0.05 0.25 -0.72 2.02 -1.20 -4.51 118.70 110.94 7i1b s GLU 25 Ca 0.56 0.42 0.11 0.00 0.02 0.00 0.00 54.97 56.09 7i1b s GLU 25 Cb 0.45 -0.24 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 7i1b s GLU 25 CO 0.02 -0.22 -0.18 -0.51 0.02 0.00 0.00 175.26 174.38 7i1b s LEU 26 N 1.60 2.65 0.02 1.80 1.02 -1.26 -1.81 118.68 122.70 7i1b s LEU 26 Ca -0.04 -0.91 0.01 0.00 0.02 0.00 0.00 54.13 53.21 7i1b s LEU 26 Cb -0.12 -1.23 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 7i1b s LEU 26 CO -0.05 0.06 -0.05 -0.54 0.02 0.00 0.00 176.35 175.79 7i1b s LYS 27 N -3.25 0.39 -0.37 1.70 1.02 0.11 -1.97 119.74 117.37 7i1b s LYS 27 Ca 0.27 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.65 7i1b s LYS 27 Cb -0.06 -0.17 0.04 0.00 -0.52 0.00 0.00 37.83 37.11 7i1b s LYS 27 CO 0.14 0.03 0.19 0.00 -0.92 0.00 0.00 175.35 174.79 7i1b s ALA 28 N -0.99 3.22 0.32 5.17 0.00 -1.13 -0.01 121.76 128.33 7i1b s ALA 28 Ca -0.08 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.10 7i1b s ALA 28 Cb -0.07 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 7i1b s ALA 28 CO -0.00 -1.43 0.35 -0.48 0.00 0.00 0.00 175.76 174.20 7i1b s LEU 29 N 1.49 1.37 -0.44 0.00 0.05 -1.01 -4.27 118.68 115.86 7i1b s LEU 29 Ca 0.01 -1.60 -0.29 0.00 0.05 0.00 0.00 54.13 52.30 7i1b s LEU 29 Cb -0.20 0.93 0.01 0.00 -2.05 0.00 0.00 46.19 44.88 7i1b s LEU 29 CO 0.05 -1.14 1.41 -1.00 -0.55 0.00 0.00 176.35 175.12 7i1b s HIS 30 N -3.37 2.38 -0.23 3.48 3.76 -1.26 -2.36 115.29 117.69 7i1b s HIS 30 Ca 0.36 0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 55.89 7i1b s HIS 30 Cb 0.02 -4.33 0.01 0.00 1.11 0.00 0.00 32.58 29.38 7i1b s HIS 30 CO 0.23 -1.97 -0.07 -1.17 -0.85 0.00 0.00 174.74 170.91 7i1b s LEU 31 N 5.57 2.90 -0.05 0.89 2.96 -1.26 -5.01 118.68 124.68 7i1b s LEU 31 Ca 0.60 -0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 53.60 7i1b s LEU 31 Cb -0.13 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 44.96 7i1b s LEU 31 CO 0.31 -0.06 0.70 -1.58 -1.32 0.00 0.00 176.35 174.40 7i1b s GLN 32 N 1.40 1.04 0.29 1.98 2.00 -1.26 -4.87 119.66 120.24 7i1b s GLN 32 Ca 0.04 0.22 0.00 0.00 -2.00 0.00 0.00 55.36 53.62 7i1b s GLN 32 Cb -0.15 0.49 0.00 0.00 0.80 0.00 0.00 33.01 34.15 7i1b s GLN 32 CO -0.05 -0.33 0.00 0.41 -0.50 0.00 0.00 175.29 174.82 7i1b n GLY 33 N 0.84 -1.81 0.28 2.59 0.00 -1.26 -4.17 105.19 101.66 7i1b n GLY 33 Ca -0.18 -1.91 0.16 0.00 0.00 0.00 0.00 46.02 44.09 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 0.35 115.11 119.21 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 -2.71 0.00 0.25 1.46 2.03 -1.26 -3.54 116.55 112.77 7i1b n ASP 35 Ca -0.02 -1.01 0.08 0.00 0.52 0.00 0.00 54.79 54.36 7i1b n ASP 35 Cb 0.18 0.00 0.62 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 0.00 0.00 -0.67 -0.00 -0.52 -1.25 114.93 112.49 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 0.12 0.02 -1.91 -0.00 0.00 0.00 176.91 175.15 7i1b n GLU 37 N -4.15 0.00 -0.59 -0.10 2.13 -1.23 -1.37 120.64 115.33 7i1b n GLU 37 Ca -0.02 0.48 -0.07 0.00 0.66 0.00 0.00 57.16 58.20 7i1b n GLU 37 Cb 0.20 -1.52 0.14 0.00 0.27 0.00 0.00 31.44 30.53 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 7i1b n GLN 38 N -1.48 2.15 -3.44 5.31 6.02 -0.47 -4.90 117.38 120.58 7i1b n GLN 38 Ca -0.00 -1.62 -0.36 0.00 -0.01 0.00 0.00 57.00 55.01 7i1b n GLN 38 Cb 0.02 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.50 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 -1.81 3.92 0.47 -1.09 0.00 -0.47 -4.44 119.66 116.24 7i1b s GLN 39 Ca 0.30 0.40 0.03 0.00 -0.00 0.00 0.00 55.36 56.09 7i1b s GLN 39 Cb 0.24 -3.03 0.01 0.00 0.00 0.00 0.00 33.01 30.24 7i1b s GLN 39 CO 0.07 0.55 0.67 0.08 0.00 0.00 0.00 175.29 176.66 7i1b s VAL 40 N -1.35 3.28 -0.02 3.63 1.01 -1.07 -4.95 120.40 120.93 7i1b s VAL 40 Ca 0.33 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 7i1b s VAL 40 Cb -0.15 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.07 7i1b s VAL 40 CO 0.18 -0.11 0.04 -0.69 0.00 0.00 0.00 175.10 174.51 7i1b s VAL 41 N -2.55 -0.04 0.05 2.92 1.01 -1.26 -4.73 120.40 115.80 7i1b s VAL 41 Ca 0.53 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.71 7i1b s VAL 41 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 7i1b s VAL 41 CO 0.36 0.06 -0.05 -0.36 0.00 0.00 0.00 175.10 175.11 7i1b s PHE 42 N 0.78 2.89 -0.77 5.22 0.40 -0.35 -2.53 117.98 123.62 7i1b s PHE 42 Ca -0.06 -0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.10 7i1b s PHE 42 Cb -0.09 -1.55 0.20 0.00 0.51 0.00 0.00 43.02 42.09 7i1b s PHE 42 CO -0.02 0.42 0.68 0.45 0.70 0.00 0.00 175.22 177.45 7i1b s SER 43 N -1.89 6.35 0.41 1.36 0.15 0.17 -0.85 113.70 119.40 7i1b s SER 43 Ca 0.21 -2.72 -0.24 0.00 0.70 0.00 0.00 55.95 53.90 7i1b s SER 43 Cb -0.11 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 62.00 7i1b s SER 43 CO 0.12 -0.52 1.11 -0.32 1.20 0.00 0.00 173.24 174.83 7i1b s MET 44 N 0.13 4.06 -0.00 5.44 1.75 0.85 -2.44 119.30 129.09 7i1b s MET 44 Ca 0.17 1.69 0.01 0.00 -1.25 0.00 0.00 55.69 56.31 7i1b s MET 44 Cb -0.13 -2.58 -0.00 0.00 2.84 0.00 0.00 34.83 34.95 7i1b s MET 44 CO -0.07 -0.27 -0.03 -1.12 -0.65 0.00 0.00 175.02 172.88 7i1b s SER 45 N -1.35 0.32 -0.50 1.11 0.01 -0.72 0.26 113.70 112.82 7i1b s SER 45 Ca 0.58 -0.05 -0.27 0.00 1.31 0.00 0.00 55.95 57.53 7i1b s SER 45 Cb -0.27 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 65.96 7i1b s SER 45 CO 0.33 0.03 1.04 -0.36 0.41 0.00 0.00 173.24 174.70 7i1b s PHE 46 N -0.06 2.81 0.44 2.43 0.40 -0.91 -1.52 117.98 121.59 7i1b s PHE 46 Ca 0.01 0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.81 7i1b s PHE 46 Cb -0.01 -4.23 0.04 0.00 0.51 0.00 0.00 43.02 39.32 7i1b s PHE 46 CO -0.00 -1.28 0.30 1.33 0.70 0.00 0.00 175.22 176.27 7i1b n VAL 47 N 6.57 0.00 -3.72 -0.44 0.24 -1.07 -4.61 118.33 115.30 7i1b n VAL 47 Ca 0.08 -1.79 -0.31 0.00 -2.04 0.00 0.00 64.34 60.27 7i1b n VAL 47 Cb 0.49 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.74 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 -3.80 3.58 0.00 7.34 0.74 -0.99 -4.66 119.66 121.86 7i1b s GLN 48 Ca 0.23 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.48 7i1b s GLN 48 Cb -0.02 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.21 7i1b s GLN 48 CO 0.15 0.49 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 7i1b n GLY 49 N 0.09 -1.14 3.58 2.59 0.00 -1.26 -4.71 105.19 104.34 7i1b n GLY 49 Ca -0.03 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 7i1b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7i1b s GLU 50 N -0.51 2.18 0.74 1.61 0.41 -1.26 -4.92 118.70 116.95 7i1b s GLU 50 Ca 0.00 -0.96 -0.12 0.00 -0.41 0.00 0.00 54.97 53.49 7i1b s GLU 50 Cb 0.00 -5.17 0.04 0.00 -1.78 0.00 0.00 34.13 27.21 7i1b s GLU 50 CO 0.00 -4.33 1.11 -1.21 -0.49 0.00 0.00 175.26 170.34 7i1b s GLU 51 N 6.97 2.54 0.00 1.61 2.02 -1.26 -4.84 118.70 125.74 7i1b s GLU 51 Ca 0.72 0.44 0.00 0.00 0.02 0.00 0.00 54.97 56.15 7i1b s GLU 51 Cb -0.02 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.22 7i1b s GLU 51 CO 0.14 -1.26 0.00 0.45 0.02 0.00 0.00 175.26 174.61 7i1b n SER 52 N -3.15 0.00 -0.08 -0.19 2.88 -1.15 -4.97 113.62 106.95 7i1b n SER 52 Ca 0.07 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.49 7i1b n SER 52 Cb 0.58 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 7i1b n SER 52 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 7i1b h ASN 53 N 0.00 0.00 -0.00 -3.46 2.35 -2.02 -3.42 115.58 109.02 7i1b h ASN 53 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 7i1b h ASN 53 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 7i1b h ASN 53 CO 0.00 1.06 -0.01 -0.90 -1.65 0.00 0.00 177.43 175.93 7i1b n ASP 54 N -4.56 0.37 -4.56 5.81 5.68 -1.26 -4.95 116.55 113.08 7i1b n ASP 54 Ca -0.17 -0.69 -0.40 0.00 -0.50 0.00 0.00 54.79 53.03 7i1b n ASP 54 Cb 0.43 0.65 -0.03 0.00 -1.14 0.00 0.00 41.12 41.03 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 -0.67 3.03 -0.48 0.11 -0.14 -1.26 -4.17 119.74 116.16 7i1b s LYS 55 Ca 0.00 0.18 -0.04 0.00 -1.36 0.00 0.00 55.97 54.75 7i1b s LYS 55 Cb 0.00 -4.24 0.13 0.00 -1.68 0.00 0.00 37.83 32.04 7i1b s LYS 55 CO 0.01 -2.30 0.29 0.42 -0.76 0.00 0.00 175.35 173.01 7i1b s ILE 56 N 6.89 3.53 0.19 2.17 1.01 -1.07 -2.96 121.20 130.96 7i1b s ILE 56 Ca 0.49 -2.27 -0.32 0.00 0.00 0.00 0.00 60.65 58.55 7i1b s ILE 56 Cb -0.10 -3.37 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 7i1b s ILE 56 CO 0.19 -0.75 1.68 -2.84 0.00 0.00 0.00 174.94 173.21 7i1b s PRO 57 N 0.83 4.15 0.00 2.79 0.02 -1.26 -1.90 135.00 139.63 7i1b s PRO 57 Ca 0.10 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.65 7i1b s PRO 57 Cb -0.22 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.19 7i1b s PRO 57 CO -0.04 -0.71 0.00 1.33 -0.33 0.00 0.00 177.00 177.26 7i1b n VAL 58 N 4.00 0.00 -3.65 3.83 0.24 -0.52 -2.59 118.33 119.64 7i1b n VAL 58 Ca 0.15 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.29 7i1b n VAL 58 Cb 0.36 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.59 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 -0.27 -0.41 2.33 0.00 -0.57 -2.31 121.76 118.52 7i1b s ALA 59 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 7i1b s ALA 59 Cb 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.21 7i1b s ALA 59 CO 0.00 -0.66 0.57 -0.51 0.00 0.00 0.00 175.76 175.16 7i1b s LEU 60 N 2.33 4.52 -0.17 0.00 1.43 -1.26 -1.76 118.68 123.77 7i1b s LEU 60 Ca 0.03 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 7i1b s LEU 60 Cb -0.12 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.49 7i1b s LEU 60 CO -0.07 -0.66 -0.14 -0.83 0.23 0.00 0.00 176.35 174.88 7i1b s GLY 61 N 1.90 1.22 -0.09 -3.19 0.00 -1.02 -2.61 107.32 103.52 7i1b s GLY 61 Ca 0.20 -1.07 -0.38 0.00 0.00 0.00 0.00 44.72 43.47 7i1b s GLY 61 CO 0.16 0.55 1.60 1.04 0.00 0.00 0.00 173.10 176.45 7i1b n LEU 62 N 4.71 2.28 -0.03 0.66 4.77 -0.89 0.43 117.00 128.93 7i1b n LEU 62 Ca -0.17 1.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.87 7i1b n LEU 62 Cb 0.49 -1.20 0.22 0.00 -2.33 0.00 0.00 43.42 40.59 7i1b n LEU 62 CO 0.22 -0.60 0.85 0.50 -1.33 0.00 0.00 177.39 177.03 7i1b h LYS 63 N 6.37 0.61 0.39 3.23 3.64 -1.79 -3.13 116.57 125.89 7i1b h LYS 63 Ca -0.47 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 7i1b h LYS 63 Cb 1.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 7i1b h LYS 63 CO 0.89 0.69 -0.26 0.93 -2.27 0.00 0.00 179.45 179.42 7i1b h GLU 64 N 0.56 -0.61 -5.16 1.90 4.39 -1.88 -3.45 114.58 110.33 7i1b h GLU 64 Ca 0.11 0.04 -0.45 0.00 0.34 0.00 0.00 59.36 59.40 7i1b h GLU 64 Cb 0.48 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.13 7i1b h GLU 64 CO 0.03 -0.41 -0.61 0.15 -1.16 0.00 0.00 179.01 177.01 7i1b s LYS 65 N -6.07 1.61 0.00 2.33 1.02 -1.18 -5.01 119.74 112.43 7i1b s LYS 65 Ca -0.16 -1.89 0.00 0.00 0.02 0.00 0.00 55.97 53.94 7i1b s LYS 65 Cb 0.05 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.61 7i1b s LYS 65 CO 0.64 -0.21 1.90 0.27 -0.92 0.00 0.00 175.35 177.02 7i1b n ASN 66 N -0.65 5.09 -4.51 2.83 6.94 -1.26 -4.09 115.26 119.61 7i1b n ASN 66 Ca -0.02 -2.35 -0.43 0.00 -0.02 0.00 0.00 54.58 51.76 7i1b n ASN 66 Cb 0.67 -1.07 -0.07 0.00 -2.36 0.00 0.00 39.78 36.94 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 7i1b s LEU 67 N 0.00 4.63 -0.15 -4.53 1.43 -1.26 -2.58 118.68 116.21 7i1b s LEU 67 Ca 0.00 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 7i1b s LEU 67 Cb 0.00 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 7i1b s LEU 67 CO 0.00 -0.70 0.11 -0.31 0.23 0.00 0.00 176.35 175.68 7i1b s TYR 68 N 2.57 3.46 0.62 0.29 1.51 -0.92 -2.09 117.35 122.78 7i1b s TYR 68 Ca 0.19 0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 56.45 7i1b s TYR 68 Cb -0.15 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 7i1b s TYR 68 CO 0.17 0.52 1.16 1.28 -1.11 0.00 0.00 175.55 177.57 7i1b n LEU 69 N 2.60 4.98 -3.76 -1.29 4.32 -1.07 -1.93 117.00 120.84 7i1b n LEU 69 Ca -0.18 0.84 -0.13 0.00 -0.02 0.00 0.00 56.01 56.52 7i1b n LEU 69 Cb 0.54 -1.49 -0.11 0.00 -1.62 0.00 0.00 43.42 40.74 7i1b n LEU 69 CO 0.33 -1.32 -0.03 -0.94 -1.22 0.00 0.00 177.39 174.22 7i1b s SER 70 N -1.27 -0.33 -0.35 -1.43 1.04 0.26 -4.50 113.70 107.13 7i1b s SER 70 Ca 0.78 0.63 -0.15 0.00 0.48 0.00 0.00 55.95 57.70 7i1b s SER 70 Cb -0.40 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 7i1b s SER 70 CO 0.44 -0.12 0.33 0.00 0.98 0.00 0.00 173.24 174.87 7i1b s VAL 72 N 1.92 1.05 0.13 0.00 -7.23 -0.96 -4.82 120.40 110.49 7i1b s VAL 72 Ca 0.10 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.10 7i1b s VAL 72 Cb -0.17 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 7i1b s VAL 72 CO 0.11 -0.72 0.68 -0.76 -0.31 0.00 0.00 175.10 174.10 7i1b s LEU 73 N -2.98 4.54 -0.67 1.32 1.43 -1.26 -1.28 118.68 119.77 7i1b s LEU 73 Ca 0.13 1.46 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 7i1b s LEU 73 Cb 0.02 -3.16 0.19 0.00 0.03 0.00 0.00 46.19 43.26 7i1b s LEU 73 CO -0.00 0.22 0.54 0.29 0.23 0.00 0.00 176.35 177.62 7i1b n LYS 74 N 1.55 1.85 -1.62 1.70 4.76 0.10 -4.71 118.16 121.79 7i1b n LYS 74 Ca -0.07 -4.43 0.00 0.00 -2.87 0.00 0.00 58.31 50.94 7i1b n LYS 74 Cb 0.50 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 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 1.78 -1.54 0.00 4.39 8.00 -1.26 -3.74 116.55 124.18 7i1b n ASP 75 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 7i1b n ASP 75 Cb 0.37 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.40 -4.17 -4.19 -2.24 8.00 -1.26 -4.98 116.55 107.31 7i1b n ASP 76 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 7i1b n ASP 76 Cb 0.39 -2.06 -0.16 0.00 -0.02 0.00 0.00 41.12 39.27 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 -1.04 3.10 0.50 -1.24 2.20 -1.25 -5.07 119.74 116.95 7i1b s LYS 77 Ca 0.00 -0.79 -0.22 0.00 -0.36 0.00 0.00 55.97 54.60 7i1b s LYS 77 Cb 0.00 -2.61 -0.07 0.00 -1.51 0.00 0.00 37.83 33.63 7i1b s LYS 77 CO 0.00 -0.12 1.14 -2.30 -0.36 0.00 0.00 175.35 173.71 7i1b n PRO 78 N 4.40 1.43 -3.77 4.03 -0.02 -1.26 0.00 135.00 139.81 7i1b n PRO 78 Ca -0.20 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 7i1b n PRO 78 Cb 0.51 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.33 0.02 -0.10 3.45 2.01 -0.41 -4.76 115.64 114.52 7i1b s THR 79 Ca 0.68 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 7i1b s THR 79 Cb -0.47 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 7i1b s THR 79 CO 0.52 -0.08 0.04 -0.22 -0.69 0.00 0.00 174.62 174.19 7i1b s LEU 80 N -2.89 3.79 0.04 4.42 2.96 -1.26 -2.26 118.68 123.48 7i1b s LEU 80 Ca 0.11 0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 54.02 7i1b s LEU 80 Cb -0.02 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.84 7i1b s LEU 80 CO -0.01 0.38 0.49 -1.58 -1.32 0.00 0.00 176.35 174.32 7i1b s GLN 81 N -0.87 0.99 -0.17 1.98 0.74 -0.07 -4.80 119.66 117.46 7i1b s GLN 81 Ca 0.13 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.20 7i1b s GLN 81 Cb -0.12 0.45 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 7i1b s GLN 81 CO 0.03 -0.35 0.18 -0.51 -0.55 0.00 0.00 175.29 174.09 7i1b s LEU 82 N -1.90 4.25 -0.05 3.68 1.43 -1.26 0.93 118.68 125.76 7i1b s LEU 82 Ca -0.06 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 7i1b s LEU 82 Cb -0.01 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 44.05 7i1b s LEU 82 CO -0.01 0.19 -0.08 -0.70 0.23 0.00 0.00 176.35 175.98 7i1b s GLU 83 N 0.17 1.18 -0.10 1.70 2.12 -0.81 -4.94 118.70 118.03 7i1b s GLU 83 Ca 0.12 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 7i1b s GLU 83 Cb -0.12 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.18 7i1b s GLU 83 CO 0.01 0.00 1.40 0.45 -0.54 0.00 0.00 175.26 176.58 7i1b s SER 84 N 0.66 6.85 0.03 -1.70 0.15 -1.26 -2.17 113.70 116.26 7i1b s SER 84 Ca -0.11 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.47 7i1b s SER 84 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 7i1b s SER 84 CO 0.02 -0.79 0.00 1.33 1.20 0.00 0.00 173.24 175.00 7i1b n VAL 85 N 5.22 0.00 -2.74 4.45 0.24 -1.07 -4.97 118.33 119.47 7i1b n VAL 85 Ca 0.15 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 7i1b n VAL 85 Cb 0.44 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.67 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 6.80 0.00 -1.34 -1.08 -1.26 -4.89 116.67 113.90 7i1b s ASP 86 Ca 0.00 0.83 0.12 0.00 -0.52 0.00 0.00 52.55 52.98 7i1b s ASP 86 Cb 0.00 -2.50 0.62 0.00 -1.46 0.00 0.00 42.92 39.58 7i1b s ASP 86 CO 0.00 -0.84 1.32 -0.81 0.52 0.00 0.00 175.17 175.36 7i1b n PRO 87 N 6.76 0.16 -0.13 4.34 -0.04 -1.26 -1.53 135.00 143.30 7i1b n PRO 87 Ca 0.09 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 7i1b n PRO 87 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.31 0.60 0.07 0.54 5.02 -1.26 -4.56 118.16 117.26 7i1b n LYS 88 Ca 0.06 0.19 -0.01 0.00 -2.02 0.00 0.00 58.31 56.53 7i1b n LYS 88 Cb 0.10 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 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 -0.42 0.00 -3.16 4.39 2.35 -1.96 -3.46 115.58 113.31 7i1b h ASN 89 Ca -0.61 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 54.50 7i1b h ASN 89 Cb 1.75 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 40.03 7i1b h ASN 89 CO -0.23 0.66 -0.60 -0.31 -1.65 0.00 0.00 177.43 175.30 7i1b s TYR 90 N -2.87 3.20 0.59 1.19 2.02 -0.58 -3.91 117.35 116.98 7i1b s TYR 90 Ca 0.00 0.08 -0.16 0.00 -0.37 0.00 0.00 57.07 56.63 7i1b s TYR 90 Cb 0.08 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 7i1b s TYR 90 CO 0.79 0.52 1.05 -1.25 -1.57 0.00 0.00 175.55 175.09 7i1b s PRO 91 N -2.41 3.36 0.12 -1.71 0.04 -1.26 -4.64 135.00 128.50 7i1b s PRO 91 Ca 0.29 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 7i1b s PRO 91 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 7i1b s PRO 91 CO 0.22 -0.77 0.10 0.21 0.04 0.00 0.00 177.00 176.80 7i1b s LYS 92 N -4.13 0.92 0.36 4.56 2.20 -1.25 -5.02 119.74 117.38 7i1b s LYS 92 Ca 0.63 -1.32 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 7i1b s LYS 92 Cb -0.15 0.27 0.75 0.00 -1.51 0.00 0.00 37.83 37.19 7i1b s LYS 92 CO 0.37 -0.27 1.96 -0.22 -0.36 0.00 0.00 175.35 176.83 7i1b h LYS 93 N 2.84 0.72 -6.09 4.03 3.64 -1.92 -3.42 116.57 116.38 7i1b h LYS 93 Ca -0.34 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.36 7i1b h LYS 93 Cb 1.20 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 7i1b h LYS 93 CO 0.58 0.48 -0.57 0.21 -2.27 0.00 0.00 179.45 177.87 7i1b s LYS 94 N -5.66 3.05 -0.12 1.90 2.47 -1.26 -2.36 119.74 117.76 7i1b s LYS 94 Ca -0.10 -0.59 -0.08 0.00 -1.56 0.00 0.00 55.97 53.64 7i1b s LYS 94 Cb 0.19 -2.83 0.04 0.00 -1.46 0.00 0.00 37.83 33.77 7i1b s LYS 94 CO 0.77 0.59 0.30 -1.64 0.16 0.00 0.00 175.35 175.53 7i1b s MET 95 N -2.31 0.31 0.72 4.03 -1.94 -1.26 -5.00 119.30 113.84 7i1b s MET 95 Ca 0.30 0.50 -0.16 0.00 -1.71 0.00 0.00 55.69 54.62 7i1b s MET 95 Cb -0.12 0.05 0.03 0.00 2.01 0.00 0.00 34.83 36.80 7i1b s MET 95 CO 0.22 -0.10 1.25 -1.21 -0.01 0.00 0.00 175.02 175.18 7i1b s GLU 96 N 0.68 2.12 0.45 2.03 2.02 -1.26 -4.65 118.70 120.10 7i1b s GLU 96 Ca -0.04 1.92 0.22 0.00 0.02 0.00 0.00 54.97 57.08 7i1b s GLU 96 Cb -0.06 -1.81 1.21 0.00 0.10 0.00 0.00 34.13 33.57 7i1b s GLU 96 CO -0.04 -1.89 1.85 0.87 0.02 0.00 0.00 175.26 176.07 7i1b h LYS 97 N -0.14 0.27 -0.34 1.61 6.56 -1.93 0.19 116.57 122.79 7i1b h LYS 97 Ca -0.49 -0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.18 7i1b h LYS 97 Cb 1.32 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 7i1b h LYS 97 CO 0.50 0.18 0.25 0.07 -2.06 0.00 0.00 179.45 178.39 7i1b h ARG 98 N 0.28 0.00 -0.01 3.15 -0.00 -1.88 -1.71 114.38 114.21 7i1b h ARG 98 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.46 7i1b h ARG 98 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.36 7i1b h ARG 98 CO -0.14 0.00 -0.42 1.19 -0.00 0.00 0.00 179.97 180.60 7i1b n PHE 99 N -4.35 0.00 -3.21 4.08 3.72 0.63 -2.14 117.46 116.19 7i1b n PHE 99 Ca 0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 7i1b n PHE 99 Cb 0.43 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.91 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 -2.03 4.93 -0.06 -4.37 1.01 -0.64 -4.32 120.40 114.92 7i1b s VAL 100 Ca 0.12 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.35 7i1b s VAL 100 Cb 0.13 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.60 7i1b s VAL 100 CO 0.46 0.41 -0.11 -0.36 0.00 0.00 0.00 175.10 175.50 7i1b s PHE 101 N -0.14 1.33 -0.54 5.22 0.40 -0.98 -1.84 117.98 121.44 7i1b s PHE 101 Ca 0.31 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.87 7i1b s PHE 101 Cb -0.18 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.38 7i1b s PHE 101 CO 0.17 -0.26 1.24 -0.80 0.70 0.00 0.00 175.22 176.26 7i1b s ASN 102 N 0.71 6.43 -0.64 1.36 0.01 -0.58 -1.44 114.94 120.79 7i1b s ASN 102 Ca -0.14 0.29 -0.26 0.00 -0.71 0.00 0.00 52.86 52.04 7i1b s ASN 102 Cb -0.16 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.99 7i1b s ASN 102 CO 0.03 -1.46 1.15 -0.75 -1.51 0.00 0.00 177.10 174.56 7i1b s LYS 103 N 4.93 3.31 0.39 -0.60 2.20 -0.80 -2.52 119.74 126.66 7i1b s LYS 103 Ca 0.47 -0.16 0.07 0.00 -0.36 0.00 0.00 55.97 56.00 7i1b s LYS 103 Cb -0.08 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 7i1b s LYS 103 CO 0.28 -1.84 0.54 0.42 -0.36 0.00 0.00 175.35 174.39 7i1b s ILE 104 N 4.96 3.33 -0.08 5.43 1.01 0.47 -2.59 121.20 133.73 7i1b s ILE 104 Ca 0.35 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 60.04 7i1b s ILE 104 Cb -0.10 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.25 7i1b s ILE 104 CO 0.19 -0.05 -0.18 -1.61 0.00 0.00 0.00 174.94 173.29 7i1b s GLU 105 N -4.30 2.35 -0.27 2.79 2.02 -1.26 -1.37 118.70 118.66 7i1b s GLU 105 Ca 0.52 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.84 7i1b s GLU 105 Cb -0.10 -1.84 0.11 0.00 0.10 0.00 0.00 34.13 32.40 7i1b s GLU 105 CO 0.32 0.10 0.18 0.42 0.02 0.00 0.00 175.26 176.31 7i1b s ILE 106 N 0.50 -0.19 -0.94 -1.63 1.01 -0.48 -4.89 121.20 114.58 7i1b s ILE 106 Ca -0.17 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 7i1b s ILE 106 Cb -0.17 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 7i1b s ILE 106 CO 0.06 -0.58 0.79 -3.20 0.00 0.00 0.00 174.94 172.01 7i1b n ASN 107 N 5.28 -3.07 0.00 3.58 5.15 -1.26 -2.02 115.26 122.92 7i1b n ASN 107 Ca -0.05 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 7i1b n ASN 107 Cb 0.44 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.43 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 7i1b n ASN 108 N -2.77 -4.51 -4.89 1.20 4.13 -1.26 -4.95 115.26 102.20 7i1b n ASN 108 Ca -0.18 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 55.87 7i1b n ASN 108 Cb 0.63 -2.75 -0.03 0.00 -1.54 0.00 0.00 39.78 36.09 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 -1.46 2.55 0.21 3.52 -0.14 -0.85 -4.99 119.74 118.57 7i1b s LYS 109 Ca 0.00 -1.52 0.10 0.00 -1.36 0.00 0.00 55.97 53.19 7i1b s LYS 109 Cb 0.00 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 7i1b s LYS 109 CO 0.00 -0.21 -0.12 -0.51 -0.76 0.00 0.00 175.35 173.75 7i1b s LEU 110 N -4.16 2.86 -0.05 3.17 1.43 -0.26 -1.38 118.68 120.29 7i1b s LEU 110 Ca 0.49 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 7i1b s LEU 110 Cb -0.04 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.71 7i1b s LEU 110 CO 0.28 0.08 0.09 -1.61 0.23 0.00 0.00 176.35 175.43 7i1b s GLU 111 N -3.01 -0.04 -0.37 1.70 0.41 -0.47 -1.37 118.70 115.56 7i1b s GLU 111 Ca 0.26 0.43 -0.10 0.00 -0.41 0.00 0.00 54.97 55.15 7i1b s GLU 111 Cb -0.08 -0.43 0.03 0.00 -1.78 0.00 0.00 34.13 31.87 7i1b s GLU 111 CO 0.15 -0.32 0.19 -0.06 -0.49 0.00 0.00 175.26 174.73 7i1b s PHE 112 N 2.19 3.24 -0.08 1.61 0.08 -1.26 -0.40 117.98 123.37 7i1b s PHE 112 Ca 0.04 -1.03 -0.04 0.00 0.12 0.00 0.00 56.93 56.02 7i1b s PHE 112 Cb -0.12 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 7i1b s PHE 112 CO -0.04 -0.66 0.11 -2.00 -0.10 0.00 0.00 175.22 172.53 7i1b s GLU 113 N 1.53 3.29 -0.49 0.44 2.12 -1.05 -2.55 118.70 121.99 7i1b s GLU 113 Ca 0.01 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 54.81 7i1b s GLU 113 Cb -0.19 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 7i1b s GLU 113 CO 0.06 0.73 1.74 0.45 -0.54 0.00 0.00 175.26 177.70 7i1b s SER 114 N -1.21 5.70 0.61 -1.70 0.15 -0.36 -1.52 113.70 115.37 7i1b s SER 114 Ca 0.17 0.71 0.15 0.00 0.70 0.00 0.00 55.95 57.68 7i1b s SER 114 Cb -0.12 -2.53 0.82 0.00 -1.71 0.00 0.00 66.02 62.48 7i1b s SER 114 CO 0.07 -1.97 1.44 0.00 1.20 0.00 0.00 173.24 173.98 7i1b h ALA 115 N 13.32 1.58 0.00 5.45 0.00 -1.55 0.16 119.26 138.22 7i1b h ALA 115 Ca -0.29 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 7i1b h ALA 115 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 7i1b h ALA 115 CO 1.14 -0.58 -0.41 0.37 0.00 0.00 0.00 179.25 179.76 7i1b h GLN 116 N 0.00 0.00 -3.54 0.00 -0.00 -1.80 -3.42 115.11 106.36 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.96 7i1b h GLN 116 Cb 1.22 0.00 -0.36 0.00 0.00 0.00 0.00 27.48 28.33 7i1b h GLN 116 CO 0.00 0.94 -0.40 -0.06 0.00 0.00 0.00 178.83 179.30 7i1b s PHE 117 N -2.24 3.37 0.61 3.99 0.08 0.57 -5.09 117.98 119.28 7i1b s PHE 117 Ca -0.21 -2.81 -0.19 0.00 0.12 0.00 0.00 56.93 53.84 7i1b s PHE 117 Cb 0.00 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.29 7i1b s PHE 117 CO 0.62 -0.82 1.27 -2.30 -0.10 0.00 0.00 175.22 173.89 7i1b n PRO 118 N 3.39 1.27 -0.20 0.24 -0.02 -1.21 -2.17 135.00 136.30 7i1b n PRO 118 Ca 0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 7i1b n PRO 118 Cb 0.37 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.48 0.00 -4.29 2.55 4.13 -1.26 -5.01 115.26 109.91 7i1b n ASN 119 Ca 0.14 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.05 7i1b n ASN 119 Cb 0.47 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.57 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 7i1b s TRP 120 N -2.86 2.97 0.43 3.10 0.52 -0.92 -4.65 118.94 117.52 7i1b s TRP 120 Ca 0.00 -1.04 0.05 0.00 0.02 0.00 0.00 56.10 55.13 7i1b s TRP 120 Cb 0.00 -2.10 -0.06 0.00 -1.15 0.00 0.00 33.47 30.16 7i1b s TRP 120 CO 0.00 -0.58 0.02 0.71 0.02 0.00 0.00 176.95 177.11 7i1b s TYR 121 N 1.45 2.26 -0.24 -1.98 1.51 -0.93 -1.22 117.35 118.20 7i1b s TYR 121 Ca 0.05 -0.80 -0.29 0.00 -1.01 0.00 0.00 57.07 55.02 7i1b s TYR 121 Cb -0.15 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 7i1b s TYR 121 CO -0.04 0.32 1.58 0.42 -1.11 0.00 0.00 175.55 176.71 7i1b s ILE 122 N -2.83 3.75 0.06 2.71 1.01 -1.06 -1.81 121.20 123.03 7i1b s ILE 122 Ca 0.27 0.84 0.05 0.00 0.00 0.00 0.00 60.65 61.81 7i1b s ILE 122 Cb 0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 7i1b s ILE 122 CO 0.14 -0.34 -0.09 -0.44 0.00 0.00 0.00 174.94 174.21 7i1b s SER 123 N 4.10 4.44 0.17 3.58 0.01 0.05 -4.46 113.70 121.60 7i1b s SER 123 Ca 0.69 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.74 7i1b s SER 123 Cb -0.23 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 7i1b s SER 123 CO 0.29 0.23 -0.15 0.42 0.41 0.00 0.00 173.24 174.43 7i1b s THR 124 N -1.10 1.64 -0.25 1.44 -4.23 -0.94 -2.49 115.64 109.72 7i1b s THR 124 Ca 0.19 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 7i1b s THR 124 Cb -0.11 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 7i1b s THR 124 CO 0.10 -0.49 0.41 -0.55 -0.54 0.00 0.00 174.62 173.55 7i1b s SER 125 N -2.95 6.35 0.54 3.99 0.15 -1.26 -2.63 113.70 117.89 7i1b s SER 125 Ca 0.17 0.41 0.36 0.00 0.70 0.00 0.00 55.95 57.60 7i1b s SER 125 Cb -0.03 -2.23 1.55 0.00 -1.71 0.00 0.00 66.02 63.60 7i1b s SER 125 CO 0.06 -0.17 1.81 -0.61 1.20 0.00 0.00 173.24 175.53 7i1b h GLN 126 N 7.88 0.00 -6.81 5.44 4.15 -1.96 -3.41 115.11 120.40 7i1b h GLN 126 Ca -0.32 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.59 7i1b h GLN 126 Cb 1.16 0.00 0.22 0.00 0.21 0.00 0.00 27.48 29.07 7i1b h GLN 126 CO 0.68 0.00 -0.64 0.00 -1.93 0.00 0.00 178.83 176.94 7i1b n ALA 127 N -2.76 -2.98 -2.37 3.38 0.00 -1.26 -4.96 120.51 109.55 7i1b n ALA 127 Ca 0.25 -0.86 -0.32 0.00 0.00 0.00 0.00 53.44 52.51 7i1b n ALA 127 Cb 1.22 -1.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.70 3.84 -0.64 0.00 2.02 -1.26 -4.52 118.70 114.44 7i1b s GLU 128 Ca 0.58 0.34 -0.09 0.00 0.02 0.00 0.00 54.97 55.83 7i1b s GLU 128 Cb -0.19 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.42 7i1b s GLU 128 CO 0.66 0.30 0.65 0.09 0.02 0.00 0.00 175.26 176.99 7i1b n ASN 129 N -0.11 -7.06 -3.72 -0.19 5.03 -1.26 -5.03 115.26 102.92 7i1b n ASN 129 Ca 0.01 -0.08 -0.15 0.00 0.87 0.00 0.00 54.58 55.22 7i1b n ASN 129 Cb 0.52 -4.27 -0.15 0.00 -1.02 0.00 0.00 39.78 34.86 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 7i1b s MET 130 N -3.19 0.06 0.58 3.52 1.75 -1.26 -5.04 119.30 115.71 7i1b s MET 130 Ca 0.11 0.43 -0.20 0.00 -1.25 0.00 0.00 55.69 54.78 7i1b s MET 130 Cb -0.02 -0.23 -0.04 0.00 2.84 0.00 0.00 34.83 37.38 7i1b s MET 130 CO 0.80 -0.22 1.31 -1.25 -0.65 0.00 0.00 175.02 175.00 7i1b s PRO 131 N 1.60 2.97 0.68 4.11 0.04 -1.26 -2.85 135.00 140.29 7i1b s PRO 131 Ca -0.04 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 7i1b s PRO 131 Cb -0.12 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 7i1b s PRO 131 CO -0.06 -1.28 1.06 0.08 0.04 0.00 0.00 177.00 176.84 7i1b s VAL 132 N -1.38 4.08 0.28 -0.36 1.01 -0.83 -4.73 120.40 118.47 7i1b s VAL 132 Ca 0.75 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 7i1b s VAL 132 Cb -0.38 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.62 7i1b s VAL 132 CO 0.43 -0.86 0.89 0.72 0.00 0.00 0.00 175.10 176.27 7i1b s PHE 133 N -3.00 0.03 -0.19 5.22 -0.71 -1.04 -4.88 117.98 113.41 7i1b s PHE 133 Ca 0.58 -0.55 -0.13 0.00 -1.04 0.00 0.00 56.93 55.79 7i1b s PHE 133 Cb -0.14 0.75 -0.05 0.00 -1.21 0.00 0.00 43.02 42.38 7i1b s PHE 133 CO 0.53 -1.23 0.27 -1.17 -1.34 0.00 0.00 175.22 172.29 7i1b s LEU 134 N -3.15 4.20 0.09 -1.99 2.96 -1.26 -0.77 118.68 118.76 7i1b s LEU 134 Ca 0.17 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 7i1b s LEU 134 Cb -0.04 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 7i1b s LEU 134 CO 0.08 0.06 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.24 7i1b s GLY 135 N 0.69 0.81 -0.68 7.98 0.00 -0.75 -4.61 107.32 110.75 7i1b s GLY 135 Ca 0.14 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.73 7i1b s GLY 135 CO 0.04 -1.22 1.58 0.61 0.00 0.00 0.00 173.10 174.11 7i1b n GLY 136 N 0.64 5.77 2.89 0.20 0.00 -1.26 -2.19 105.19 111.23 7i1b n GLY 136 Ca -0.17 -2.62 -0.30 0.00 0.00 0.00 0.00 46.02 42.93 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 -5.17 2.15 -0.55 2.61 2.01 -1.26 -5.03 115.64 110.40 7i1b s THR 137 Ca 0.49 -2.87 -0.26 0.00 0.31 0.00 0.00 61.69 59.36 7i1b s THR 137 Cb 0.40 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 7i1b s THR 137 CO -0.29 -0.78 2.14 -0.75 -0.69 0.00 0.00 174.62 174.25 7i1b s LYS 138 N 0.17 2.36 7.95 4.92 2.20 -1.26 -4.63 119.74 131.44 7i1b s LYS 138 Ca 0.16 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 7i1b s LYS 138 Cb -0.24 -4.49 0.00 0.00 -1.51 0.00 0.00 37.83 31.59 7i1b s LYS 138 CO -0.03 -3.01 0.00 0.41 -0.36 0.00 0.00 175.35 172.36 7i1b n GLY 139 N 5.85 2.98 7.00 5.54 0.00 -1.26 -4.94 105.19 120.37 7i1b n GLY 139 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 4.01 0.08 -0.02 0.00 -1.26 -2.79 105.19 105.21 7i1b n GLY 140 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 13.13 1.29 -2.58 1.61 0.00 -1.26 -4.97 117.38 124.60 7i1b n GLN 141 Ca 0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 57.00 56.66 7i1b n GLN 141 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 30.24 28.79 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -5.08 6.58 -0.43 1.69 1.01 -1.12 -4.72 116.67 114.61 7i1b s ASP 142 Ca -0.10 1.94 -0.19 0.00 0.71 0.00 0.00 52.55 54.91 7i1b s ASP 142 Cb 0.05 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.43 7i1b s ASP 142 CO 0.62 -0.61 0.55 -0.63 0.21 0.00 0.00 175.17 175.31 7i1b s ILE 143 N -1.87 4.95 -0.08 0.77 1.01 -1.08 -4.44 121.20 120.46 7i1b s ILE 143 Ca 0.63 -0.08 0.20 0.00 0.00 0.00 0.00 60.65 61.39 7i1b s ILE 143 Cb -0.18 -4.12 -0.30 0.00 0.01 0.00 0.00 42.46 37.87 7i1b s ILE 143 CO 0.22 -0.51 0.34 0.35 0.00 0.00 0.00 174.94 175.34 7i1b n THR 144 N 5.65 0.39 -1.53 2.92 -2.24 -1.26 -2.21 114.28 116.01 7i1b n THR 144 Ca -0.04 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 7i1b n THR 144 Cb 0.48 -0.13 0.09 0.00 -2.10 0.00 0.00 70.33 68.67 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 -4.67 4.43 0.24 3.42 1.47 -1.26 -4.59 116.67 115.71 7i1b s ASP 145 Ca -0.08 1.32 -0.06 0.00 1.18 0.00 0.00 52.55 54.91 7i1b s ASP 145 Cb 0.11 -2.05 0.02 0.00 -0.34 0.00 0.00 42.92 40.66 7i1b s ASP 145 CO 0.84 -2.01 0.42 0.49 0.68 0.00 0.00 175.17 175.59 7i1b n PHE 146 N -3.46 -1.55 -3.60 2.11 3.72 -0.47 -4.24 117.46 109.97 7i1b n PHE 146 Ca 0.07 -1.29 -0.12 0.00 -0.05 0.00 0.00 57.45 56.06 7i1b n PHE 146 Cb 0.56 0.49 -0.12 0.00 -0.94 0.00 0.00 39.48 39.47 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 -0.49 0.23 4.37 -4.23 0.08 -1.10 115.64 111.97 7i1b s THR 147 Ca 0.13 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 7i1b s THR 147 Cb -0.02 -0.57 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 7i1b s THR 147 CO 0.10 0.04 0.46 -0.32 -0.54 0.00 0.00 174.62 174.35 7i1b s MET 148 N 2.47 3.57 -0.10 3.99 1.75 -1.26 -1.48 119.30 128.24 7i1b s MET 148 Ca 0.03 -0.19 -0.08 0.00 -1.25 0.00 0.00 55.69 54.20 7i1b s MET 148 Cb -0.13 -2.76 0.03 0.00 2.84 0.00 0.00 34.83 34.81 7i1b s MET 148 CO -0.11 0.33 0.26 -1.14 -0.65 0.00 0.00 175.02 173.71 7i1b s GLN 149 N -3.39 0.27 0.66 4.11 2.00 -1.03 -5.00 119.66 117.30 7i1b s GLN 149 Ca 0.41 0.45 -0.16 0.00 -2.00 0.00 0.00 55.36 54.05 7i1b s GLN 149 Cb -0.11 0.04 0.00 0.00 0.80 0.00 0.00 33.01 33.74 7i1b s GLN 149 CO 0.29 -0.09 1.16 -0.06 -0.50 0.00 0.00 175.29 176.09 7i1b s PHE 150 N 0.63 2.39 0.24 1.67 0.40 -1.26 -2.29 117.98 119.76 7i1b s PHE 150 Ca -0.04 1.56 0.06 0.00 -0.60 0.00 0.00 56.93 57.92 7i1b s PHE 150 Cb -0.05 -3.33 -0.05 0.00 0.51 0.00 0.00 43.02 40.09 7i1b s PHE 150 CO -0.04 -2.08 -0.08 0.14 0.70 0.00 0.00 175.22 173.86 7i1b s VAL 151 N -2.05 1.56 0.13 -0.44 -7.23 -1.10 -4.84 120.40 106.43 7i1b s VAL 151 Ca 0.72 -2.14 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 7i1b s VAL 151 Cb -0.25 -2.29 0.07 0.00 0.56 0.00 0.00 36.38 34.47 7i1b s VAL 151 CO 0.40 -0.41 0.60 -0.55 -0.31 0.00 0.00 175.10 174.83 7i1b s SER 152 N -3.37 -0.56 0.00 4.85 0.15 -1.26 -4.95 113.70 108.55 7i1b s SER 152 Ca 0.27 0.09 0.26 0.00 0.70 0.00 0.00 55.95 57.27 7i1b s SER 152 Cb 0.03 0.58 0.63 0.00 -1.71 0.00 0.00 66.02 65.55 7i1b s SER 152 CO 0.09 -0.91 1.51 -1.20 1.20 0.00 0.00 173.24 173.94