#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1b s ARG 4 N 0.00 3.86 0.37 1.45 0.52 -1.26 -4.99 118.95 118.90 1i1b s ARG 4 Ca 0.00 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1i1b s ARG 4 Cb 0.00 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 1i1b s ARG 4 CO 0.00 0.62 0.12 -1.12 0.02 0.00 0.00 175.30 174.94 1i1b s SER 5 N -0.75 2.51 -0.26 0.23 0.01 -1.26 -0.77 113.70 113.41 1i1b s SER 5 Ca 0.20 -1.59 -0.25 0.00 1.31 0.00 0.00 55.95 55.62 1i1b s SER 5 Cb -0.15 0.36 0.08 0.00 0.21 0.00 0.00 66.02 66.53 1i1b s SER 5 CO 0.09 -0.85 0.81 -0.22 0.41 0.00 0.00 173.24 173.48 1i1b s LEU 6 N -3.55 -0.66 0.09 2.44 2.96 -0.43 -4.98 118.68 114.55 1i1b s LEU 6 Ca 0.28 1.25 -0.09 0.00 -0.22 0.00 0.00 54.13 55.35 1i1b s LEU 6 Cb 0.04 2.31 -0.06 0.00 0.50 0.00 0.00 46.19 48.98 1i1b s LEU 6 CO 0.15 -0.24 0.40 0.20 -1.32 0.00 0.00 176.35 175.54 1i1b s ASN 7 N 0.26 6.62 0.08 3.68 0.01 -1.26 -0.65 114.94 123.67 1i1b s ASN 7 Ca 0.00 0.76 -0.27 0.00 -0.71 0.00 0.00 52.86 52.65 1i1b s ASN 7 Cb -0.05 -2.17 0.08 0.00 0.41 0.00 0.00 41.25 39.53 1i1b s ASN 7 CO -0.01 0.16 0.94 0.00 -1.51 0.00 0.00 177.10 176.68 1i1b s THR 9 N -3.19 2.69 0.09 0.00 -4.23 -0.56 -0.73 115.64 109.70 1i1b s THR 9 Ca 0.09 -2.30 0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1i1b s THR 9 Cb -0.01 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1i1b s THR 9 CO -0.03 -0.39 -0.27 -0.76 -0.54 0.00 0.00 174.62 172.64 1i1b s LEU 10 N -3.55 2.26 -0.01 4.79 1.43 -1.26 -1.56 118.68 120.78 1i1b s LEU 10 Ca 0.30 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1i1b s LEU 10 Cb -0.05 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1i1b s LEU 10 CO 0.16 0.22 -0.02 -0.60 0.23 0.00 0.00 176.35 176.34 1i1b s ARG 11 N -1.70 0.28 0.95 1.70 3.52 -0.24 -4.27 118.95 119.19 1i1b s ARG 11 Ca 0.13 -0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.57 1i1b s ARG 11 Cb -0.10 -0.34 0.16 0.00 -1.56 0.00 0.00 34.95 33.11 1i1b s ARG 11 CO 0.04 -0.01 1.10 0.16 -0.81 0.00 0.00 175.30 175.78 1i1b s ASP 12 N 0.34 3.05 0.00 -2.12 1.47 -0.48 -0.61 116.67 118.31 1i1b s ASP 12 Ca -0.03 1.22 0.13 0.00 1.18 0.00 0.00 52.55 55.05 1i1b s ASP 12 Cb -0.06 -1.88 0.79 0.00 -0.34 0.00 0.00 42.92 41.43 1i1b s ASP 12 CO -0.01 -2.87 1.21 -1.54 0.68 0.00 0.00 175.17 172.65 1i1b n SER 13 N -4.01 0.00 -0.68 2.11 3.41 0.18 -1.02 113.62 113.62 1i1b n SER 13 Ca 0.06 -0.46 0.06 0.00 -0.26 0.00 0.00 58.87 58.27 1i1b n SER 13 Cb 0.57 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.69 1i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1i1b n GLN 14 N -0.97 2.89 -1.19 4.33 -0.06 -1.26 -4.94 117.38 116.17 1i1b n GLN 14 Ca 0.10 -2.17 -0.07 0.00 -2.00 0.00 0.00 57.00 52.86 1i1b n GLN 14 Cb 0.05 -1.36 -0.03 0.00 -4.06 0.00 0.00 30.24 24.84 1i1b n GLN 14 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1i1b n GLN 15 N 0.36 -0.48 -2.80 3.69 1.13 -0.19 -5.00 117.38 114.09 1i1b n GLN 15 Ca 0.13 0.72 -0.39 0.00 -1.94 0.00 0.00 57.00 55.52 1i1b n GLN 15 Cb 0.50 -4.49 -0.06 0.00 0.11 0.00 0.00 30.24 26.29 1i1b n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1i1b s LYS 16 N -2.49 4.72 0.27 -1.09 1.02 -1.26 -4.62 119.74 116.29 1i1b s LYS 16 Ca 0.00 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.36 1i1b s LYS 16 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1i1b s LYS 16 CO 0.00 0.44 0.48 -1.12 -0.92 0.00 0.00 175.35 174.23 1i1b s SER 17 N -1.33 6.36 -0.02 2.83 0.01 0.09 -1.39 113.70 120.25 1i1b s SER 17 Ca 0.43 0.46 0.03 0.00 1.31 0.00 0.00 55.95 58.19 1i1b s SER 17 Cb -0.23 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1i1b s SER 17 CO 0.28 -0.17 -0.09 -0.76 0.41 0.00 0.00 173.24 172.92 1i1b s LEU 18 N -3.76 3.04 0.11 2.44 1.43 -1.26 -1.93 118.68 118.75 1i1b s LEU 18 Ca 0.40 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1i1b s LEU 18 Cb -0.10 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1i1b s LEU 18 CO 0.32 0.31 0.22 0.68 0.23 0.00 0.00 176.35 178.11 1i1b s VAL 19 N -0.89 0.12 -0.40 -1.59 -7.23 -0.04 -1.67 120.40 108.69 1i1b s VAL 19 Ca 0.15 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 1i1b s VAL 19 Cb -0.11 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1i1b s VAL 19 CO 0.04 -0.53 1.26 -0.04 -0.31 0.00 0.00 175.10 175.52 1i1b s MET 20 N -3.90 3.75 0.00 4.82 -1.94 -1.26 -0.25 119.30 120.52 1i1b s MET 20 Ca 0.09 0.88 0.00 0.00 -1.71 0.00 0.00 55.69 54.96 1i1b s MET 20 Cb 0.04 -3.92 0.00 0.00 2.01 0.00 0.00 34.83 32.96 1i1b s MET 20 CO -0.07 -1.34 0.23 0.45 -0.01 0.00 0.00 175.02 174.27 1i1b n SER 21 N 8.03 0.00 0.00 3.03 2.88 0.44 -4.92 113.62 123.08 1i1b n SER 21 Ca 0.14 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1i1b n SER 21 Cb 0.48 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1i1b n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i1b n GLY 22 N 1.34 6.50 0.23 0.46 0.00 -1.21 -4.97 105.19 107.53 1i1b n GLY 22 Ca 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1i1b n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i1b h PRO 23 N 0.00 0.00 0.00 1.61 0.13 -2.03 -3.30 132.00 128.41 1i1b h PRO 23 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1i1b h PRO 23 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1i1b h PRO 23 CO 0.00 0.20 -0.42 0.66 -0.23 0.00 0.00 178.00 178.21 1i1b n TYR 24 N -4.12 0.00 -4.06 1.56 4.02 -1.26 -5.01 117.16 108.28 1i1b n TYR 24 Ca -0.02 -0.78 -0.12 0.00 -0.01 0.00 0.00 57.90 56.98 1i1b n TYR 24 Cb 0.27 -0.15 -0.11 0.00 -0.02 0.00 0.00 39.34 39.33 1i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1i1b s GLU 25 N -1.75 0.54 0.05 -0.72 2.02 -1.24 -3.81 118.70 113.79 1i1b s GLU 25 Ca 0.26 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.48 1i1b s GLU 25 Cb 0.25 -0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.27 1i1b s GLU 25 CO -0.03 0.01 -0.19 -0.51 0.02 0.00 0.00 175.26 174.56 1i1b s LEU 26 N -1.85 2.56 0.11 1.80 1.02 -1.26 -0.42 118.68 120.63 1i1b s LEU 26 Ca -0.07 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.67 1i1b s LEU 26 Cb -0.07 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 1i1b s LEU 26 CO -0.01 0.25 -0.11 -0.54 0.02 0.00 0.00 176.35 175.95 1i1b s LYS 27 N -1.47 0.91 -0.09 1.70 1.02 0.66 -0.93 119.74 121.53 1i1b s LYS 27 Ca 0.14 -1.19 0.04 0.00 0.02 0.00 0.00 55.97 54.98 1i1b s LYS 27 Cb -0.10 -0.66 -0.00 0.00 -0.52 0.00 0.00 37.83 36.55 1i1b s LYS 27 CO 0.05 0.11 -0.23 0.00 -0.92 0.00 0.00 175.35 174.36 1i1b s ALA 28 N -2.36 2.10 0.05 5.17 0.00 -0.89 -0.86 121.76 124.97 1i1b s ALA 28 Ca 0.07 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1i1b s ALA 28 Cb -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1i1b s ALA 28 CO 0.01 0.29 0.24 -0.48 0.00 0.00 0.00 175.76 175.82 1i1b s LEU 29 N 0.31 1.17 -0.21 0.00 0.05 -0.81 -0.39 118.68 118.80 1i1b s LEU 29 Ca -0.17 -0.32 -0.29 0.00 0.05 0.00 0.00 54.13 53.40 1i1b s LEU 29 Cb -0.17 1.12 -0.01 0.00 -2.05 0.00 0.00 46.19 45.08 1i1b s LEU 29 CO 0.08 -0.59 1.29 -1.00 -0.55 0.00 0.00 176.35 175.58 1i1b s HIS 30 N -2.66 2.77 0.02 3.48 3.76 -1.26 -0.73 115.29 120.67 1i1b s HIS 30 Ca -0.04 0.94 0.04 0.00 -0.15 0.00 0.00 55.06 55.85 1i1b s HIS 30 Cb -0.01 -3.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.02 1i1b s HIS 30 CO -0.04 -1.76 -0.12 -1.17 -0.85 0.00 0.00 174.74 170.80 1i1b s LEU 31 N 3.83 2.11 0.05 0.89 2.96 -1.26 -4.95 118.68 122.32 1i1b s LEU 31 Ca 0.56 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 1i1b s LEU 31 Cb -0.20 -0.51 0.03 0.00 0.50 0.00 0.00 46.19 46.00 1i1b s LEU 31 CO 0.18 0.05 0.38 -1.58 -1.32 0.00 0.00 176.35 174.05 1i1b s GLN 32 N -0.79 0.89 0.21 1.98 0.74 -1.26 -4.89 119.66 116.54 1i1b s GLN 32 Ca 0.01 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.99 1i1b s GLN 32 Cb -0.06 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1i1b s GLN 32 CO 0.00 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 1i1b n GLY 33 N 0.49 -1.85 0.00 2.59 0.00 -1.26 -4.00 105.19 101.15 1i1b n GLY 33 Ca -0.18 -1.94 0.09 0.00 0.00 0.00 0.00 46.02 43.99 1i1b n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i1b n GLN 34 N 0.00 0.14 0.18 1.61 10.64 -1.26 -1.60 117.38 127.09 1i1b n GLN 34 Ca 0.00 0.15 0.14 0.00 -1.83 0.00 0.00 57.00 55.46 1i1b n GLN 34 Cb 0.00 -1.50 0.50 0.00 -0.86 0.00 0.00 30.24 28.38 1i1b n GLN 34 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1i1b h ASP 35 N 0.00 0.00 0.45 2.61 -0.00 -1.99 -2.16 116.42 115.32 1i1b h ASP 35 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1i1b h ASP 35 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.57 1i1b h ASP 35 CO 0.00 0.00 -0.02 -0.03 -0.00 0.00 0.00 179.24 179.19 1i1b h MET 36 N 0.00 0.00 0.00 0.28 4.05 -1.49 -2.25 114.93 115.51 1i1b h MET 36 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1i1b h MET 36 Cb 0.54 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1i1b h MET 36 CO 0.00 0.02 -0.04 1.05 0.23 0.00 0.00 176.91 178.17 1i1b h GLU 37 N 0.00 0.00 -0.40 0.39 4.11 -1.62 -2.85 114.58 114.21 1i1b h GLU 37 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1i1b h GLU 37 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1i1b h GLU 37 CO 0.00 0.04 0.00 0.00 0.07 0.00 0.00 179.01 179.13 1i1b n GLN 38 N -3.70 1.22 -2.92 1.06 10.64 -0.85 -4.86 117.38 117.98 1i1b n GLN 38 Ca -0.02 -0.25 -0.40 0.00 -1.83 0.00 0.00 57.00 54.49 1i1b n GLN 38 Cb 0.14 -1.25 -0.04 0.00 -0.86 0.00 0.00 30.24 28.23 1i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1i1b s GLN 39 N -1.63 4.50 0.19 2.61 0.74 -1.08 -4.54 119.66 120.46 1i1b s GLN 39 Ca 0.04 1.11 -0.30 0.00 0.05 0.00 0.00 55.36 56.27 1i1b s GLN 39 Cb 0.03 -3.42 -0.08 0.00 1.10 0.00 0.00 33.01 30.64 1i1b s GLN 39 CO 0.02 0.12 1.25 0.08 -0.55 0.00 0.00 175.29 176.22 1i1b s VAL 40 N 0.50 3.39 -0.28 1.34 1.01 -0.67 -5.00 120.40 120.69 1i1b s VAL 40 Ca 0.42 1.16 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 1i1b s VAL 40 Cb -0.20 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1i1b s VAL 40 CO 0.23 0.18 0.14 -0.69 0.00 0.00 0.00 175.10 174.96 1i1b s VAL 41 N 0.00 4.76 0.38 2.92 1.01 -1.26 -4.67 120.40 123.54 1i1b s VAL 41 Ca 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1i1b s VAL 41 Cb -0.35 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1i1b s VAL 41 CO 0.38 0.22 0.61 -0.36 0.00 0.00 0.00 175.10 175.94 1i1b s PHE 42 N 1.67 3.49 -0.37 5.22 0.40 0.09 -0.98 117.98 127.49 1i1b s PHE 42 Ca 0.06 0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1i1b s PHE 42 Cb -0.16 -2.01 0.09 0.00 0.51 0.00 0.00 43.02 41.45 1i1b s PHE 42 CO 0.07 0.00 0.14 0.45 0.70 0.00 0.00 175.22 176.58 1i1b s SER 43 N -4.07 5.16 -0.33 1.36 0.15 0.57 -2.02 113.70 114.52 1i1b s SER 43 Ca 0.42 -1.78 -0.23 0.00 0.70 0.00 0.00 55.95 55.07 1i1b s SER 43 Cb -0.10 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1i1b s SER 43 CO 0.38 -0.45 0.76 -0.32 1.20 0.00 0.00 173.24 174.80 1i1b s MET 44 N 1.18 3.86 -0.11 5.44 1.75 0.17 -2.01 119.30 129.58 1i1b s MET 44 Ca 0.04 0.41 -0.05 0.00 -1.25 0.00 0.00 55.69 54.85 1i1b s MET 44 Cb -0.22 -3.76 -0.04 0.00 2.84 0.00 0.00 34.83 33.65 1i1b s MET 44 CO -0.03 -0.74 0.08 -1.12 -0.65 0.00 0.00 175.02 172.56 1i1b s SER 45 N 1.72 5.87 -0.56 1.11 0.01 -0.37 -1.32 113.70 120.16 1i1b s SER 45 Ca 0.31 0.31 -0.21 0.00 1.31 0.00 0.00 55.95 57.66 1i1b s SER 45 Cb -0.14 -1.83 0.07 0.00 0.21 0.00 0.00 66.02 64.33 1i1b s SER 45 CO 0.14 0.37 0.78 -0.36 0.41 0.00 0.00 173.24 174.58 1i1b s PHE 46 N -0.83 2.91 0.43 2.43 0.40 0.05 -1.39 117.98 121.98 1i1b s PHE 46 Ca 0.13 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1i1b s PHE 46 Cb -0.12 -3.90 0.07 0.00 0.51 0.00 0.00 43.02 39.58 1i1b s PHE 46 CO 0.03 -1.28 0.57 1.33 0.70 0.00 0.00 175.22 176.57 1i1b n VAL 47 N 5.79 0.00 -2.99 -0.44 0.24 -1.13 -4.45 118.33 115.35 1i1b n VAL 47 Ca -0.05 -1.45 -0.32 0.00 -2.04 0.00 0.00 64.34 60.48 1i1b n VAL 47 Cb 0.45 -0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 1i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1i1b s GLN 48 N -3.93 4.03 0.00 7.34 0.74 0.21 -4.73 119.66 123.32 1i1b s GLN 48 Ca 0.43 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.62 1i1b s GLN 48 Cb -0.03 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.73 1i1b s GLN 48 CO 0.27 0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.49 1i1b n GLY 49 N -0.60 -0.78 3.59 2.59 0.00 -1.26 -4.82 105.19 103.91 1i1b n GLY 49 Ca 0.04 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1i1b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1b s GLU 50 N -2.00 3.79 0.15 1.61 2.02 -1.26 -4.98 118.70 118.04 1i1b s GLU 50 Ca 0.00 0.24 0.09 0.00 0.02 0.00 0.00 54.97 55.31 1i1b s GLU 50 Cb 0.00 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 1i1b s GLU 50 CO 0.00 -0.70 -0.12 -1.83 0.02 0.00 0.00 175.26 172.63 1i1b s GLU 51 N 2.77 2.00 0.32 1.61 -1.05 -1.26 -4.56 118.70 118.54 1i1b s GLU 51 Ca 0.27 -1.21 0.04 0.00 -0.15 0.00 0.00 54.97 53.92 1i1b s GLU 51 Cb -0.14 -2.17 -0.03 0.00 -0.44 0.00 0.00 34.13 31.34 1i1b s GLU 51 CO 0.14 0.46 0.17 0.45 0.95 0.00 0.00 175.26 177.43 1i1b s SER 52 N -2.56 1.75 0.31 0.83 0.15 0.13 -4.97 113.70 109.35 1i1b s SER 52 Ca 0.23 -1.60 0.04 0.00 0.70 0.00 0.00 55.95 55.31 1i1b s SER 52 Cb -0.10 0.43 0.52 0.00 -1.71 0.00 0.00 66.02 65.16 1i1b s SER 52 CO 0.14 -0.92 1.81 0.78 1.20 0.00 0.00 173.24 176.25 1i1b h ASN 53 N 2.14 0.48 0.47 5.45 2.35 -2.01 -3.21 115.58 121.25 1i1b h ASN 53 Ca -0.33 -0.12 -0.30 0.00 -0.55 0.00 0.00 56.30 55.00 1i1b h ASN 53 Cb 1.25 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1i1b h ASN 53 CO 0.50 0.63 -1.60 0.44 -1.65 0.00 0.00 177.43 175.76 1i1b h ASP 54 N 0.46 0.24 -3.40 5.81 3.32 -1.93 -3.47 116.42 117.45 1i1b h ASP 54 Ca 0.09 -0.39 -0.66 0.00 0.02 0.00 0.00 57.03 56.08 1i1b h ASP 54 Cb 0.48 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 39.66 1i1b h ASP 54 CO 0.03 1.34 -0.73 -0.54 -1.72 0.00 0.00 179.24 177.62 1i1b s LYS 55 N -2.61 3.24 -0.15 3.56 1.02 -1.21 -2.74 119.74 120.84 1i1b s LYS 55 Ca -0.09 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1i1b s LYS 55 Cb 0.07 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1i1b s LYS 55 CO 0.83 -0.25 -0.14 0.42 -0.92 0.00 0.00 175.35 175.29 1i1b s ILE 56 N 1.44 1.57 0.09 2.17 1.01 -0.22 -0.69 121.20 126.58 1i1b s ILE 56 Ca 0.05 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 1i1b s ILE 56 Cb -0.15 -1.50 -0.07 0.00 0.01 0.00 0.00 42.46 40.75 1i1b s ILE 56 CO -0.04 0.42 1.39 -2.16 0.00 0.00 0.00 174.94 174.56 1i1b s PRO 57 N 1.48 4.31 0.17 2.79 0.04 -1.26 -0.05 135.00 142.48 1i1b s PRO 57 Ca 0.04 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1i1b s PRO 57 Cb -0.13 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1i1b s PRO 57 CO -0.10 -0.46 0.03 0.14 0.04 0.00 0.00 177.00 176.65 1i1b s VAL 58 N 1.36 0.46 -0.03 -0.36 -7.23 0.42 -2.85 120.40 112.17 1i1b s VAL 58 Ca 0.65 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.93 1i1b s VAL 58 Cb -0.36 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1i1b s VAL 58 CO 0.30 -0.41 -0.26 0.00 -0.31 0.00 0.00 175.10 174.42 1i1b s ALA 59 N -3.81 2.16 -0.34 1.32 0.00 -0.49 -0.77 121.76 119.84 1i1b s ALA 59 Ca 0.26 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1i1b s ALA 59 Cb 0.07 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.67 1i1b s ALA 59 CO 0.04 0.49 0.07 -0.51 0.00 0.00 0.00 175.76 175.85 1i1b s LEU 60 N -0.44 4.46 0.41 0.00 1.43 -1.26 -1.24 118.68 122.04 1i1b s LEU 60 Ca 0.05 -1.68 0.07 0.00 -1.03 0.00 0.00 54.13 51.55 1i1b s LEU 60 Cb -0.11 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1i1b s LEU 60 CO 0.01 -0.37 0.19 -0.83 0.23 0.00 0.00 176.35 175.57 1i1b s GLY 61 N 1.38 2.31 0.06 -3.19 0.00 -0.85 -1.67 107.32 105.37 1i1b s GLY 61 Ca 0.02 -2.09 -0.24 0.00 0.00 0.00 0.00 44.72 42.40 1i1b s GLY 61 CO -0.03 -1.90 0.73 1.08 0.00 0.00 0.00 173.10 172.98 1i1b s LEU 62 N -3.91 4.48 0.22 0.66 1.43 -0.07 -0.32 118.68 121.17 1i1b s LEU 62 Ca 0.41 1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 1i1b s LEU 62 Cb 0.03 -3.18 0.25 0.00 0.03 0.00 0.00 46.19 43.32 1i1b s LEU 62 CO 0.23 0.08 1.60 0.50 0.23 0.00 0.00 176.35 178.99 1i1b h LYS 63 N 5.33 -0.04 -0.00 1.70 3.64 -1.30 -2.91 116.57 122.98 1i1b h LYS 63 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1i1b h LYS 63 Cb 1.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1i1b h LYS 63 CO 0.69 -0.03 -0.79 0.39 -2.27 0.00 0.00 179.45 177.45 1i1b n GLU 64 N -5.47 0.22 -4.54 1.90 1.02 -1.26 -4.89 120.64 107.61 1i1b n GLU 64 Ca 0.08 -0.18 -0.31 0.00 -0.02 0.00 0.00 57.16 56.74 1i1b n GLU 64 Cb 0.37 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 1i1b n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1i1b s LYS 65 N -2.90 2.26 -1.33 3.49 1.02 -1.10 -5.02 119.74 116.16 1i1b s LYS 65 Ca 0.11 -0.89 -0.09 0.00 0.02 0.00 0.00 55.97 55.13 1i1b s LYS 65 Cb 0.17 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 1i1b s LYS 65 CO 0.78 0.56 2.77 0.27 -0.92 0.00 0.00 175.35 178.80 1i1b n ASN 66 N 1.47 7.49 -3.95 2.83 6.94 -1.26 -4.20 115.26 124.58 1i1b n ASN 66 Ca -0.16 -2.49 -0.23 0.00 -0.02 0.00 0.00 54.58 51.68 1i1b n ASN 66 Cb 0.52 -1.42 -0.17 0.00 -2.36 0.00 0.00 39.78 36.36 1i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1i1b s LEU 67 N 0.14 1.42 0.05 -4.53 1.43 -1.26 -2.53 118.68 113.40 1i1b s LEU 67 Ca 0.61 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1i1b s LEU 67 Cb 0.17 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 1i1b s LEU 67 CO -0.05 -0.03 -0.15 -0.31 0.23 0.00 0.00 176.35 176.05 1i1b s TYR 68 N 0.96 1.27 0.23 0.29 1.51 0.01 -0.89 117.35 120.72 1i1b s TYR 68 Ca -0.10 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1i1b s TYR 68 Cb -0.15 -0.75 -0.09 0.00 -0.11 0.00 0.00 41.96 40.87 1i1b s TYR 68 CO 0.00 0.05 1.13 -0.51 -1.11 0.00 0.00 175.55 175.11 1i1b s LEU 69 N -1.28 4.51 0.06 -1.29 1.02 -0.67 0.38 118.68 121.41 1i1b s LEU 69 Ca 0.01 2.22 -0.08 0.00 0.02 0.00 0.00 54.13 56.30 1i1b s LEU 69 Cb -0.08 -3.62 -0.00 0.00 0.02 0.00 0.00 46.19 42.51 1i1b s LEU 69 CO 0.02 -0.23 0.17 -0.94 0.02 0.00 0.00 176.35 175.39 1i1b s SER 70 N -0.40 0.10 -0.18 2.29 1.04 -0.22 -4.55 113.70 111.80 1i1b s SER 70 Ca 0.48 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 1i1b s SER 70 Cb -0.32 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1i1b s SER 70 CO 0.38 -0.63 -0.11 0.00 0.98 0.00 0.00 173.24 173.87 1i1b s VAL 72 N 0.98 0.16 0.27 0.00 -7.23 -0.33 -4.69 120.40 109.56 1i1b s VAL 72 Ca -0.01 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 1i1b s VAL 72 Cb -0.15 -1.16 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 1i1b s VAL 72 CO -0.01 -0.75 1.00 -0.76 -0.31 0.00 0.00 175.10 174.27 1i1b s LEU 73 N -2.50 4.57 -0.25 1.32 1.43 -1.26 -0.94 118.68 121.04 1i1b s LEU 73 Ca 0.00 2.05 -0.03 0.00 -1.03 0.00 0.00 54.13 55.12 1i1b s LEU 73 Cb 0.03 -3.68 0.10 0.00 0.03 0.00 0.00 46.19 42.66 1i1b s LEU 73 CO -0.07 0.01 0.18 -0.54 0.23 0.00 0.00 176.35 176.16 1i1b s LYS 74 N -1.41 0.20 -0.63 1.70 1.02 -0.20 -4.83 119.74 115.58 1i1b s LYS 74 Ca 0.44 -0.20 -0.03 0.00 0.02 0.00 0.00 55.97 56.20 1i1b s LYS 74 Cb -0.27 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 1i1b s LYS 74 CO 0.34 -0.88 0.55 -0.25 -0.92 0.00 0.00 175.35 174.19 1i1b n ASP 75 N 5.28 -3.68 -2.32 2.83 8.00 -1.26 -3.36 116.55 122.05 1i1b n ASP 75 Ca -0.05 -0.27 -0.20 0.00 0.71 0.00 0.00 54.79 54.98 1i1b n ASP 75 Cb 0.46 -2.68 -0.01 0.00 -0.02 0.00 0.00 41.12 38.87 1i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i1b n ASP 76 N -0.94 -5.70 -3.80 -2.24 8.00 -1.26 -4.98 116.55 105.63 1i1b n ASP 76 Ca -0.03 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 1i1b n ASP 76 Cb 0.54 -4.71 -0.10 0.00 -0.02 0.00 0.00 41.12 36.83 1i1b n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1i1b s LYS 77 N -5.05 0.44 0.22 -1.24 1.02 -1.21 -5.12 119.74 108.80 1i1b s LYS 77 Ca 0.03 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1i1b s LYS 77 Cb -0.01 0.20 -0.10 0.00 -0.52 0.00 0.00 37.83 37.40 1i1b s LYS 77 CO 0.03 -0.09 1.41 -2.14 -0.92 0.00 0.00 175.35 173.64 1i1b s PRO 78 N -0.61 4.30 0.01 -1.68 0.02 -1.26 -1.03 135.00 134.75 1i1b s PRO 78 Ca -0.07 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1i1b s PRO 78 Cb -0.04 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 1i1b s PRO 78 CO 0.02 -0.38 -0.03 0.99 -0.33 0.00 0.00 177.00 177.27 1i1b s THR 79 N 0.13 0.18 -0.06 0.99 2.01 -0.12 -4.82 115.64 113.96 1i1b s THR 79 Ca 0.59 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.10 1i1b s THR 79 Cb -0.40 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1i1b s THR 79 CO 0.41 -0.07 0.60 -0.22 -0.69 0.00 0.00 174.62 174.65 1i1b s LEU 80 N -0.37 4.34 0.22 4.42 2.96 -1.26 -1.19 118.68 127.80 1i1b s LEU 80 Ca -0.02 1.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.91 1i1b s LEU 80 Cb -0.03 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1i1b s LEU 80 CO -0.00 -0.00 0.25 0.00 -1.32 0.00 0.00 176.35 175.28 1i1b s GLN 81 N 0.37 1.34 -0.15 1.98 -2.07 0.17 -4.89 119.66 116.41 1i1b s GLN 81 Ca 0.32 -1.52 -0.07 0.00 -1.82 0.00 0.00 55.36 52.27 1i1b s GLN 81 Cb -0.17 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 1i1b s GLN 81 CO 0.16 -0.48 0.10 -0.51 -1.32 0.00 0.00 175.29 173.23 1i1b s LEU 82 N -3.12 4.09 0.04 2.60 1.43 -1.25 -1.05 118.68 121.42 1i1b s LEU 82 Ca 0.34 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1i1b s LEU 82 Cb 0.04 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1i1b s LEU 82 CO 0.12 0.28 -0.15 -0.70 0.23 0.00 0.00 176.35 176.13 1i1b s GLU 83 N -0.28 0.97 0.28 1.70 2.12 0.16 -4.91 118.70 118.74 1i1b s GLU 83 Ca 0.10 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 1i1b s GLU 83 Cb -0.12 -0.99 -0.09 0.00 0.26 0.00 0.00 34.13 33.20 1i1b s GLU 83 CO 0.01 0.24 0.76 -1.12 -0.54 0.00 0.00 175.26 174.61 1i1b s SER 84 N -1.17 6.96 0.10 -1.70 0.01 -1.26 -0.81 113.70 115.83 1i1b s SER 84 Ca 0.02 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1i1b s SER 84 Cb -0.08 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1i1b s SER 84 CO 0.01 -0.09 -0.02 0.68 0.41 0.00 0.00 173.24 174.23 1i1b s VAL 85 N -1.75 0.45 0.08 3.43 -7.23 -1.05 -4.96 120.40 109.37 1i1b s VAL 85 Ca 0.49 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1i1b s VAL 85 Cb -0.14 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1i1b s VAL 85 CO 0.19 -0.77 1.76 -0.62 -0.31 0.00 0.00 175.10 175.35 1i1b s ASP 86 N -3.03 6.52 0.38 4.85 3.68 -1.26 -4.84 116.67 122.96 1i1b s ASP 86 Ca 0.15 2.60 0.27 0.00 2.13 0.00 0.00 52.55 57.70 1i1b s ASP 86 Cb 0.07 -2.56 1.34 0.00 -1.45 0.00 0.00 42.92 40.31 1i1b s ASP 86 CO -0.04 -0.95 1.81 1.55 0.13 0.00 0.00 175.17 177.67 1i1b h PRO 87 N 8.71 0.00 0.00 4.34 0.13 -1.91 -2.76 132.00 140.51 1i1b h PRO 87 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1i1b h PRO 87 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1i1b h PRO 87 CO 0.94 0.00 -1.45 1.63 -0.23 0.00 0.00 178.00 178.89 1i1b n LYS 88 N -2.44 0.63 0.00 0.86 5.02 -1.26 -4.30 118.16 116.67 1i1b n LYS 88 Ca -0.01 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1i1b n LYS 88 Cb 0.11 -1.76 0.07 0.00 -0.02 0.00 0.00 35.03 33.42 1i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1i1b n ASN 89 N -2.77 1.06 -4.29 4.39 5.03 -1.04 -4.98 115.26 112.65 1i1b n ASN 89 Ca -0.09 -0.88 -0.22 0.00 0.87 0.00 0.00 54.58 54.26 1i1b n ASN 89 Cb 0.77 0.58 -0.12 0.00 -1.02 0.00 0.00 39.78 39.99 1i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1i1b s TYR 90 N -2.83 1.74 0.88 3.10 2.02 -1.22 -4.19 117.35 116.85 1i1b s TYR 90 Ca 0.13 -0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 1i1b s TYR 90 Cb 0.17 -0.92 0.12 0.00 -0.40 0.00 0.00 41.96 40.94 1i1b s TYR 90 CO 0.72 0.24 1.18 -1.25 -1.57 0.00 0.00 175.55 174.87 1i1b s PRO 91 N -2.31 1.38 0.15 -1.71 0.04 -1.26 -4.91 135.00 126.38 1i1b s PRO 91 Ca 0.10 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.28 1i1b s PRO 91 Cb -0.08 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1i1b s PRO 91 CO 0.05 -2.00 -0.05 0.15 0.04 0.00 0.00 177.00 175.19 1i1b s LYS 92 N -5.49 1.04 0.09 4.56 1.02 -1.26 -4.92 119.74 114.78 1i1b s LYS 92 Ca 0.64 -1.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.08 1i1b s LYS 92 Cb -0.12 -0.40 -0.21 0.00 -0.52 0.00 0.00 37.83 36.59 1i1b s LYS 92 CO 0.51 -0.03 1.19 1.57 -0.92 0.00 0.00 175.35 177.67 1i1b h LYS 93 N 2.77 0.48 -3.64 1.68 5.09 -1.95 -3.36 116.57 117.64 1i1b h LYS 93 Ca -0.36 -0.61 -0.75 0.00 0.09 0.00 0.00 60.65 59.01 1i1b h LYS 93 Cb 1.19 0.20 -0.30 0.00 0.10 0.00 0.00 32.23 33.41 1i1b h LYS 93 CO 0.64 1.24 -0.03 -1.59 -2.09 0.00 0.00 179.45 177.62 1i1b s LYS 94 N -3.05 3.30 0.09 0.07 0.00 -1.26 -0.62 119.74 118.27 1i1b s LYS 94 Ca -0.07 -2.69 -0.16 0.00 0.00 0.00 0.00 55.97 53.05 1i1b s LYS 94 Cb 0.07 -4.16 -0.07 0.00 0.00 0.00 0.00 37.83 33.68 1i1b s LYS 94 CO 0.90 -1.24 0.53 1.41 0.00 0.00 0.00 175.35 176.95 1i1b s MET 95 N -0.29 4.05 0.52 1.78 1.75 -1.26 -5.03 119.30 120.82 1i1b s MET 95 Ca 0.20 0.57 -0.22 0.00 -1.25 0.00 0.00 55.69 54.98 1i1b s MET 95 Cb -0.13 -3.09 -0.06 0.00 2.84 0.00 0.00 34.83 34.39 1i1b s MET 95 CO -0.07 0.57 1.36 -1.21 -0.65 0.00 0.00 175.02 175.02 1i1b s GLU 96 N -1.50 3.27 0.36 4.11 8.01 -1.26 -4.91 118.70 126.78 1i1b s GLU 96 Ca 0.32 2.24 0.15 0.00 0.01 0.00 0.00 54.97 57.70 1i1b s GLU 96 Cb -0.17 -2.34 1.06 0.00 -4.31 0.00 0.00 34.13 28.37 1i1b s GLU 96 CO 0.18 -1.09 1.71 0.87 0.01 0.00 0.00 175.26 176.94 1i1b h LYS 97 N 1.65 0.39 -0.03 1.61 1.79 -1.96 -1.58 116.57 118.45 1i1b h LYS 97 Ca -0.51 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1i1b h LYS 97 Cb 1.29 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1i1b h LYS 97 CO 0.58 0.26 0.05 0.07 -1.08 0.00 0.00 179.45 179.33 1i1b h ARG 98 N 0.40 0.00 -0.01 3.15 0.11 -1.91 -2.52 114.38 113.60 1i1b h ARG 98 Ca 0.68 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.76 1i1b h ARG 98 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1i1b h ARG 98 CO -0.47 0.00 -0.47 1.19 0.10 0.00 0.00 179.97 180.31 1i1b n PHE 99 N -3.45 0.00 -3.58 4.08 3.01 -0.59 -0.53 117.46 116.39 1i1b n PHE 99 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.07 1i1b n PHE 99 Cb 0.13 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 1i1b n PHE 99 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1i1b s VAL 100 N -2.68 5.26 0.14 -4.37 1.01 -0.95 -4.33 120.40 114.48 1i1b s VAL 100 Ca 0.18 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.84 1i1b s VAL 100 Cb 0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1i1b s VAL 100 CO 0.62 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.60 1i1b s PHE 101 N -0.26 2.22 -0.31 5.22 0.40 0.05 -1.71 117.98 123.59 1i1b s PHE 101 Ca 0.19 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 1i1b s PHE 101 Cb -0.14 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 1i1b s PHE 101 CO 0.07 0.36 0.20 -0.80 0.70 0.00 0.00 175.22 175.75 1i1b s ASN 102 N -2.22 5.92 -0.35 1.36 0.02 0.22 -0.43 114.94 119.46 1i1b s ASN 102 Ca 0.15 -0.26 -0.24 0.00 -1.02 0.00 0.00 52.86 51.49 1i1b s ASN 102 Cb -0.09 -2.10 0.01 0.00 0.02 0.00 0.00 41.25 39.09 1i1b s ASN 102 CO 0.07 -0.15 0.80 -0.75 0.02 0.00 0.00 177.10 177.09 1i1b s LYS 103 N 1.72 3.82 -0.16 -0.60 2.20 0.92 -1.42 119.74 126.22 1i1b s LYS 103 Ca 0.06 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1i1b s LYS 103 Cb -0.17 -3.79 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1i1b s LYS 103 CO 0.10 -0.82 -0.11 0.42 -0.36 0.00 0.00 175.35 174.58 1i1b s ILE 104 N 3.11 3.06 -0.13 5.43 1.01 0.21 -1.05 121.20 132.84 1i1b s ILE 104 Ca 0.32 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1i1b s ILE 104 Cb -0.13 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1i1b s ILE 104 CO 0.16 0.50 0.51 -1.61 0.00 0.00 0.00 174.94 174.50 1i1b s GLU 105 N 0.71 4.32 -0.38 2.79 2.02 -1.11 -0.98 118.70 126.07 1i1b s GLU 105 Ca -0.05 0.48 0.02 0.00 0.02 0.00 0.00 54.97 55.44 1i1b s GLU 105 Cb -0.15 -3.46 0.16 0.00 0.10 0.00 0.00 34.13 30.77 1i1b s GLU 105 CO 0.02 0.08 0.33 0.42 0.02 0.00 0.00 175.26 176.13 1i1b s ILE 106 N 0.86 -0.03 -0.82 -1.63 1.01 0.11 -4.97 121.20 115.73 1i1b s ILE 106 Ca 0.27 -1.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 1i1b s ILE 106 Cb -0.15 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1i1b s ILE 106 CO 0.11 -0.87 0.71 0.59 0.00 0.00 0.00 174.94 175.48 1i1b n ASN 107 N 3.74 -6.96 0.00 3.58 4.13 -1.26 -2.46 115.26 116.03 1i1b n ASN 107 Ca 0.17 -0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1i1b n ASN 107 Cb 0.43 -4.49 0.00 0.00 -1.54 0.00 0.00 39.78 34.18 1i1b n ASN 107 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1i1b n ASN 108 N -2.15 0.00 -4.70 6.41 4.13 -1.26 -4.96 115.26 112.73 1i1b n ASN 108 Ca -0.07 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.93 1i1b n ASN 108 Cb 0.55 -0.79 -0.07 0.00 -1.54 0.00 0.00 39.78 37.93 1i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1i1b s LYS 109 N 0.00 2.55 0.17 3.52 1.02 -1.03 -4.81 119.74 121.16 1i1b s LYS 109 Ca 0.00 -1.08 0.10 0.00 0.02 0.00 0.00 55.97 55.01 1i1b s LYS 109 Cb 0.00 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1i1b s LYS 109 CO 0.00 0.45 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.21 1i1b s LEU 110 N -3.12 2.75 -0.01 3.17 1.43 -0.22 0.07 118.68 122.75 1i1b s LEU 110 Ca 0.29 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1i1b s LEU 110 Cb -0.09 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1i1b s LEU 110 CO 0.20 0.12 -0.05 -1.61 0.23 0.00 0.00 176.35 175.25 1i1b s GLU 111 N -2.65 0.42 -0.32 1.70 2.02 -0.15 -1.13 118.70 118.59 1i1b s GLU 111 Ca 0.22 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.04 1i1b s GLU 111 Cb -0.09 -0.41 0.08 0.00 0.10 0.00 0.00 34.13 33.81 1i1b s GLU 111 CO 0.12 0.10 0.02 -0.06 0.02 0.00 0.00 175.26 175.47 1i1b s PHE 112 N -0.08 3.44 -0.05 1.61 0.40 -1.26 -0.61 117.98 121.43 1i1b s PHE 112 Ca 0.01 -2.35 -0.04 0.00 -0.60 0.00 0.00 56.93 53.96 1i1b s PHE 112 Cb -0.02 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1i1b s PHE 112 CO -0.00 -0.89 0.16 -2.00 0.70 0.00 0.00 175.22 173.19 1i1b s GLU 113 N 1.11 3.40 0.18 0.44 2.12 -0.51 -1.08 118.70 124.37 1i1b s GLU 113 Ca 0.00 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 1i1b s GLU 113 Cb -0.20 -3.10 -0.08 0.00 0.26 0.00 0.00 34.13 31.00 1i1b s GLU 113 CO -0.04 0.71 1.19 0.45 -0.54 0.00 0.00 175.26 177.03 1i1b s SER 114 N -1.61 7.10 0.25 -1.70 0.15 0.18 0.72 113.70 118.78 1i1b s SER 114 Ca 0.23 2.22 0.08 0.00 0.70 0.00 0.00 55.95 59.17 1i1b s SER 114 Cb -0.12 -2.61 0.29 0.00 -1.71 0.00 0.00 66.02 61.87 1i1b s SER 114 CO 0.13 -0.37 1.57 0.00 1.20 0.00 0.00 173.24 175.78 1i1b h ALA 115 N 5.29 0.90 0.15 5.45 0.00 -1.60 -3.22 119.26 126.22 1i1b h ALA 115 Ca -0.44 -0.57 -0.29 0.00 0.00 0.00 0.00 54.91 53.61 1i1b h ALA 115 Cb 1.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1i1b h ALA 115 CO 0.75 0.77 -1.28 0.37 0.00 0.00 0.00 179.25 179.86 1i1b h GLN 116 N 0.07 0.37 -3.41 0.00 5.75 -1.77 -3.40 115.11 112.73 1i1b h GLN 116 Ca -0.01 -0.60 -0.63 0.00 -0.15 0.00 0.00 58.65 57.26 1i1b h GLN 116 Cb 1.13 0.22 -0.40 0.00 1.07 0.00 0.00 27.48 29.50 1i1b h GLN 116 CO 0.09 1.28 -0.69 -0.06 -2.65 0.00 0.00 178.83 176.80 1i1b s PHE 117 N -2.72 2.72 0.21 3.99 0.40 -1.22 -5.09 117.98 116.28 1i1b s PHE 117 Ca -0.06 -2.79 -0.32 0.00 -0.60 0.00 0.00 56.93 53.16 1i1b s PHE 117 Cb 0.06 -2.43 -0.15 0.00 0.51 0.00 0.00 43.02 41.02 1i1b s PHE 117 CO 0.90 -0.79 1.17 -2.30 0.70 0.00 0.00 175.22 174.90 1i1b n PRO 118 N 3.51 1.34 -1.13 0.24 -0.02 -1.25 -1.69 135.00 136.00 1i1b n PRO 118 Ca 0.06 0.47 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1i1b n PRO 118 Cb 0.35 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i1b n ASN 119 N 1.89 -4.63 -4.64 2.55 5.03 -1.26 -5.00 115.26 109.20 1i1b n ASN 119 Ca 0.13 0.11 -0.35 0.00 0.87 0.00 0.00 54.58 55.35 1i1b n ASN 119 Cb 0.27 -2.53 -0.10 0.00 -1.02 0.00 0.00 39.78 36.40 1i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1i1b s TRP 120 N -1.81 3.27 0.17 3.10 0.52 -0.68 -4.54 118.94 118.96 1i1b s TRP 120 Ca 0.00 0.09 0.10 0.00 0.02 0.00 0.00 56.10 56.31 1i1b s TRP 120 Cb 0.00 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1i1b s TRP 120 CO 0.00 0.13 -0.21 0.71 0.02 0.00 0.00 176.95 177.60 1i1b s TYR 121 N 0.52 2.04 0.10 -1.98 1.51 -0.32 0.51 117.35 119.73 1i1b s TYR 121 Ca 0.04 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.38 1i1b s TYR 121 Cb -0.12 -1.03 -0.08 0.00 -0.11 0.00 0.00 41.96 40.61 1i1b s TYR 121 CO 0.01 0.39 1.56 0.42 -1.11 0.00 0.00 175.55 176.81 1i1b s ILE 122 N -1.73 3.03 0.08 2.71 1.01 -0.24 -0.96 121.20 125.10 1i1b s ILE 122 Ca 0.17 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.44 1i1b s ILE 122 Cb -0.07 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1i1b s ILE 122 CO 0.08 0.02 -0.07 -0.44 0.00 0.00 0.00 174.94 174.52 1i1b s SER 123 N 1.80 1.08 0.34 3.58 0.01 0.75 -4.55 113.70 116.71 1i1b s SER 123 Ca 0.70 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1i1b s SER 123 Cb -0.40 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 1i1b s SER 123 CO 0.31 -0.36 0.04 0.42 0.41 0.00 0.00 173.24 174.06 1i1b s THR 124 N -2.78 1.39 0.26 1.44 -4.23 0.74 -1.74 115.64 110.73 1i1b s THR 124 Ca 0.04 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1i1b s THR 124 Cb -0.00 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1i1b s THR 124 CO -0.03 -0.03 0.45 -0.55 -0.54 0.00 0.00 174.62 173.92 1i1b s SER 125 N -3.53 6.35 0.24 3.99 0.15 -1.26 -0.54 113.70 119.10 1i1b s SER 125 Ca 0.36 0.37 0.05 0.00 0.70 0.00 0.00 55.95 57.42 1i1b s SER 125 Cb 0.09 -2.00 0.27 0.00 -1.71 0.00 0.00 66.02 62.67 1i1b s SER 125 CO 0.16 -0.14 1.57 -0.61 1.20 0.00 0.00 173.24 175.42 1i1b h GLN 126 N 1.40 0.24 -7.14 5.44 5.75 -1.97 -3.45 115.11 115.38 1i1b h GLN 126 Ca -0.49 -0.16 -0.49 0.00 -0.15 0.00 0.00 58.65 57.36 1i1b h GLN 126 Cb 1.21 0.02 0.03 0.00 1.07 0.00 0.00 27.48 29.80 1i1b h GLN 126 CO 0.64 0.75 0.31 0.00 -2.65 0.00 0.00 178.83 177.88 1i1b s ALA 127 N -3.79 3.16 0.57 3.38 0.00 -1.26 -5.06 121.76 118.76 1i1b s ALA 127 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1i1b s ALA 127 Cb 0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1i1b s ALA 127 CO 0.79 -0.30 1.09 -1.21 0.00 0.00 0.00 175.76 176.13 1i1b s GLU 128 N -4.34 3.32 -1.90 0.00 0.41 -1.26 -4.19 118.70 110.73 1i1b s GLU 128 Ca 0.55 1.39 0.00 0.00 -0.41 0.00 0.00 54.97 56.51 1i1b s GLU 128 Cb -0.10 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.23 1i1b s GLU 128 CO 0.38 -0.84 0.00 0.09 -0.49 0.00 0.00 175.26 174.40 1i1b n ASN 129 N -1.68 -5.26 -4.85 -0.19 3.02 0.47 -4.98 115.26 101.79 1i1b n ASN 129 Ca 0.10 0.37 -0.29 0.00 -0.03 0.00 0.00 54.58 54.73 1i1b n ASN 129 Cb 0.52 -4.38 -0.05 0.00 -0.61 0.00 0.00 39.78 35.26 1i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1i1b s MET 130 N -3.82 3.14 0.65 3.52 -1.94 -1.24 -4.86 119.30 114.76 1i1b s MET 130 Ca 0.00 -0.62 -0.17 0.00 -1.71 0.00 0.00 55.69 53.18 1i1b s MET 130 Cb 0.00 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.98 1i1b s MET 130 CO 0.00 0.56 1.25 -2.14 -0.01 0.00 0.00 175.02 174.68 1i1b s PRO 131 N -2.65 2.57 0.17 2.03 0.02 -1.26 -2.08 135.00 133.79 1i1b s PRO 131 Ca 0.32 1.92 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1i1b s PRO 131 Cb -0.12 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1i1b s PRO 131 CO 0.25 -1.55 0.89 0.08 -0.33 0.00 0.00 177.00 176.35 1i1b s VAL 132 N -1.60 4.33 0.27 3.83 1.01 -0.11 -4.59 120.40 123.54 1i1b s VAL 132 Ca 0.79 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.73 1i1b s VAL 132 Cb -0.33 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 1i1b s VAL 132 CO 0.39 0.44 0.28 0.72 0.00 0.00 0.00 175.10 176.92 1i1b s PHE 133 N -0.70 1.26 -0.26 5.22 -0.71 -0.71 -4.82 117.98 117.26 1i1b s PHE 133 Ca 0.41 -1.39 -0.14 0.00 -1.04 0.00 0.00 56.93 54.77 1i1b s PHE 133 Cb -0.24 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 1i1b s PHE 133 CO 0.29 -0.84 0.33 -1.17 -1.34 0.00 0.00 175.22 172.48 1i1b s LEU 134 N -3.23 4.05 0.05 -1.99 2.96 -1.26 -0.18 118.68 119.08 1i1b s LEU 134 Ca 0.36 0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.60 1i1b s LEU 134 Cb 0.03 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1i1b s LEU 134 CO 0.18 -0.13 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.01 1i1b s GLY 135 N 1.58 1.48 0.00 7.98 0.00 -0.13 -4.87 107.32 113.36 1i1b s GLY 135 Ca 0.13 -1.27 0.22 0.00 0.00 0.00 0.00 44.72 43.81 1i1b s GLY 135 CO 0.10 -1.17 1.26 0.61 0.00 0.00 0.00 173.10 173.90 1i1b n GLY 136 N 1.60 1.10 3.15 0.20 0.00 -1.26 -1.17 105.19 108.80 1i1b n GLY 136 Ca -0.17 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i1b s THR 137 N -1.75 1.73 -0.08 2.61 2.01 -1.26 -4.79 115.64 114.11 1i1b s THR 137 Ca 0.29 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1i1b s THR 137 Cb 0.20 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1i1b s THR 137 CO 0.29 0.49 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.13 1i1b s LYS 138 N 0.50 2.89 0.00 4.92 1.02 -1.26 -4.79 119.74 123.02 1i1b s LYS 138 Ca -0.16 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1i1b s LYS 138 Cb -0.17 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1i1b s LYS 138 CO 0.06 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 1i1b n GLY 139 N 2.27 2.73 0.30 -3.33 0.00 -1.26 -5.04 105.19 100.85 1i1b n GLY 139 Ca -0.18 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i1b n GLY 140 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.60 105.19 99.31 1i1b n GLY 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1i1b n GLN 141 N 0.48 0.00 -2.94 1.61 7.27 -1.26 -5.11 117.38 117.42 1i1b n GLN 141 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1i1b n GLN 141 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1i1b s ASP 142 N -4.00 6.63 -0.04 1.69 1.01 -1.26 -4.55 116.67 116.15 1i1b s ASP 142 Ca 0.00 1.21 -0.17 0.00 0.71 0.00 0.00 52.55 54.30 1i1b s ASP 142 Cb 0.00 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1i1b s ASP 142 CO 0.00 -0.33 0.48 -0.63 0.21 0.00 0.00 175.17 174.89 1i1b s ILE 143 N -2.23 5.04 0.00 0.77 1.01 0.30 -4.63 121.20 121.46 1i1b s ILE 143 Ca 0.53 0.98 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1i1b s ILE 143 Cb -0.10 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1i1b s ILE 143 CO 0.26 0.46 0.43 0.35 0.00 0.00 0.00 174.94 176.44 1i1b n THR 144 N 2.65 0.07 -4.83 2.92 -2.24 -1.26 -0.19 114.28 111.40 1i1b n THR 144 Ca -0.10 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 1i1b n THR 144 Cb 0.52 1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 1i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i1b s ASP 145 N -0.07 4.00 0.28 3.42 3.84 -1.26 -4.47 116.67 122.41 1i1b s ASP 145 Ca 0.00 -0.24 0.02 0.00 -0.00 0.00 0.00 52.55 52.33 1i1b s ASP 145 Cb 0.00 -0.80 -0.05 0.00 -1.38 0.00 0.00 42.92 40.68 1i1b s ASP 145 CO 0.00 0.32 0.09 -0.36 -0.00 0.00 0.00 175.17 175.22 1i1b s PHE 146 N -0.79 1.67 0.21 2.11 0.40 -0.29 0.47 117.98 121.76 1i1b s PHE 146 Ca 0.13 -1.13 0.10 0.00 -0.60 0.00 0.00 56.93 55.42 1i1b s PHE 146 Cb -0.11 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 1i1b s PHE 146 CO 0.02 -0.25 -0.20 0.95 0.70 0.00 0.00 175.22 176.45 1i1b s THR 147 N -3.60 2.11 0.06 0.64 -4.23 0.22 -1.06 115.64 109.78 1i1b s THR 147 Ca 0.37 -2.12 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1i1b s THR 147 Cb 0.08 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1i1b s THR 147 CO 0.14 -0.33 -0.24 -0.32 -0.54 0.00 0.00 174.62 173.34 1i1b s MET 148 N -3.07 1.57 -0.05 3.99 1.75 -1.26 -1.08 119.30 121.14 1i1b s MET 148 Ca 0.22 -1.09 0.04 0.00 -1.25 0.00 0.00 55.69 53.61 1i1b s MET 148 Cb -0.05 -1.77 -0.00 0.00 2.84 0.00 0.00 34.83 35.85 1i1b s MET 148 CO 0.10 0.45 -0.17 -0.65 -0.65 0.00 0.00 175.02 174.10 1i1b s GLN 149 N -1.37 1.83 0.26 4.11 1.11 -0.60 -4.96 119.66 120.05 1i1b s GLN 149 Ca 0.10 -0.59 -0.23 0.00 0.01 0.00 0.00 55.36 54.65 1i1b s GLN 149 Cb -0.10 -1.56 -0.09 0.00 -1.01 0.00 0.00 33.01 30.25 1i1b s GLN 149 CO 0.03 0.21 0.83 -0.06 0.01 0.00 0.00 175.29 176.30 1i1b s PHE 150 N 0.15 3.70 0.12 0.91 0.40 -1.26 -1.50 117.98 120.49 1i1b s PHE 150 Ca -0.06 1.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.91 1i1b s PHE 150 Cb -0.12 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 1i1b s PHE 150 CO 0.03 0.30 -0.11 0.14 0.70 0.00 0.00 175.22 176.28 1i1b s VAL 151 N -1.52 1.12 0.47 -0.44 -7.23 -1.12 -4.92 120.40 106.76 1i1b s VAL 151 Ca 0.45 -1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 58.66 1i1b s VAL 151 Cb -0.18 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 1i1b s VAL 151 CO 0.23 -0.60 0.90 -0.55 -0.31 0.00 0.00 175.10 174.77 1i1b s SER 152 N -2.74 6.58 0.00 4.85 0.15 -1.26 -4.47 113.70 116.81 1i1b s SER 152 Ca 0.11 1.40 0.12 0.00 0.70 0.00 0.00 55.95 58.27 1i1b s SER 152 Cb -0.01 -2.44 0.09 0.00 -1.71 0.00 0.00 66.02 61.96 1i1b s SER 152 CO 0.01 -0.52 0.87 -0.24 1.20 0.00 0.00 173.24 174.56