#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4i1b s ARG 4 N 0.00 4.33 0.12 1.45 0.52 -1.26 -4.87 118.95 119.24 4i1b s ARG 4 Ca 0.00 1.88 0.08 0.00 -0.52 0.00 0.00 55.73 57.17 4i1b s ARG 4 Cb 0.00 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 4i1b s ARG 4 CO 0.00 -0.47 -0.19 -1.12 0.02 0.00 0.00 175.30 173.54 4i1b s SER 5 N 1.56 2.46 -0.04 0.23 0.01 -1.26 -0.92 113.70 115.73 4i1b s SER 5 Ca 0.61 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 57.14 4i1b s SER 5 Cb -0.30 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.82 4i1b s SER 5 CO 0.26 -0.00 -0.07 -0.22 0.41 0.00 0.00 173.24 173.63 4i1b s LEU 6 N -2.18 1.46 0.43 2.44 2.96 0.31 -4.95 118.68 119.15 4i1b s LEU 6 Ca 0.09 -0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.67 4i1b s LEU 6 Cb -0.08 -0.53 -0.09 0.00 0.50 0.00 0.00 46.19 45.99 4i1b s LEU 6 CO 0.05 -0.02 0.88 0.20 -1.32 0.00 0.00 176.35 176.13 4i1b s ASN 7 N 0.75 6.71 -0.26 3.68 0.01 -1.26 -1.49 114.94 123.08 4i1b s ASN 7 Ca -0.11 1.44 -0.28 0.00 -0.71 0.00 0.00 52.86 53.20 4i1b s ASN 7 Cb -0.14 -2.45 0.17 0.00 0.41 0.00 0.00 41.25 39.24 4i1b s ASN 7 CO 0.01 -0.41 1.27 0.00 -1.51 0.00 0.00 177.10 176.46 4i1b s THR 9 N -0.59 3.68 -0.02 0.00 -4.23 0.04 -1.52 115.64 113.00 4i1b s THR 9 Ca 0.06 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 4i1b s THR 9 Cb -0.02 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 4i1b s THR 9 CO -0.08 -0.35 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.76 4i1b s LEU 10 N -3.66 2.84 0.03 4.79 1.02 -1.26 -1.56 118.68 120.88 4i1b s LEU 10 Ca 0.31 -0.21 0.03 0.00 0.02 0.00 0.00 54.13 54.29 4i1b s LEU 10 Cb -0.07 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 4i1b s LEU 10 CO 0.21 0.32 -0.10 -0.60 0.02 0.00 0.00 176.35 176.19 4i1b s ARG 11 N -1.01 0.72 0.84 1.70 3.52 -0.16 -4.06 118.95 120.50 4i1b s ARG 11 Ca 0.13 -0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 55.00 4i1b s ARG 11 Cb -0.11 -0.66 0.11 0.00 -1.56 0.00 0.00 34.95 32.74 4i1b s ARG 11 CO 0.03 0.16 1.21 0.16 -0.81 0.00 0.00 175.30 176.04 4i1b s ASP 12 N -0.97 4.13 0.00 -2.12 3.84 -0.73 0.37 116.67 121.19 4i1b s ASP 12 Ca -0.01 0.59 0.15 0.00 -0.00 0.00 0.00 52.55 53.29 4i1b s ASP 12 Cb -0.07 -0.97 0.77 0.00 -1.38 0.00 0.00 42.92 41.27 4i1b s ASP 12 CO 0.01 -2.12 1.42 -1.54 -0.00 0.00 0.00 175.17 172.94 4i1b n SER 13 N -3.41 0.00 -0.63 2.11 3.41 -0.67 -0.73 113.62 113.71 4i1b n SER 13 Ca 0.10 0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.83 4i1b n SER 13 Cb 0.61 -0.28 0.13 0.00 -0.26 0.00 0.00 64.21 64.41 4i1b n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4i1b n GLN 14 N -1.28 2.26 -1.03 4.33 6.02 -1.26 -4.98 117.38 121.44 4i1b n GLN 14 Ca 0.07 -1.85 -0.01 0.00 -0.01 0.00 0.00 57.00 55.20 4i1b n GLN 14 Cb 0.12 -1.27 -0.00 0.00 1.02 0.00 0.00 30.24 30.10 4i1b n GLN 14 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 4i1b n GLN 15 N 0.62 -0.13 -2.19 -1.09 -0.06 0.10 -5.00 117.38 109.62 4i1b n GLN 15 Ca 0.11 0.38 -0.41 0.00 -2.00 0.00 0.00 57.00 55.07 4i1b n GLN 15 Cb 0.40 -3.79 -0.03 0.00 -4.06 0.00 0.00 30.24 22.76 4i1b n GLN 15 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 4i1b s LYS 16 N -1.45 4.36 0.25 3.69 1.02 -1.26 -4.50 119.74 121.86 4i1b s LYS 16 Ca 0.00 2.08 0.05 0.00 0.02 0.00 0.00 55.97 58.11 4i1b s LYS 16 Cb 0.00 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 4i1b s LYS 16 CO 0.00 -0.31 0.37 -1.12 -0.92 0.00 0.00 175.35 173.38 4i1b s SER 17 N 0.50 6.32 -0.11 2.83 0.01 0.06 -1.77 113.70 121.54 4i1b s SER 17 Ca 0.59 0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 4i1b s SER 17 Cb -0.37 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 4i1b s SER 17 CO 0.37 -0.09 0.05 -0.76 0.41 0.00 0.00 173.24 173.22 4i1b s LEU 18 N -3.99 3.82 0.04 2.44 1.02 -1.26 -1.77 118.68 118.99 4i1b s LEU 18 Ca 0.35 0.22 -0.05 0.00 0.02 0.00 0.00 54.13 54.66 4i1b s LEU 18 Cb -0.09 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 4i1b s LEU 18 CO 0.30 0.36 0.09 0.68 0.02 0.00 0.00 176.35 177.79 4i1b s VAL 19 N -0.75 0.14 -0.24 -1.59 -7.23 -0.39 -1.52 120.40 108.83 4i1b s VAL 19 Ca 0.12 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 4i1b s VAL 19 Cb -0.12 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 4i1b s VAL 19 CO 0.03 -0.64 1.29 -0.04 -0.31 0.00 0.00 175.10 175.42 4i1b s MET 20 N -2.78 4.06 0.00 4.82 -1.94 -1.26 0.19 119.30 122.39 4i1b s MET 20 Ca -0.04 1.45 0.00 0.00 -1.71 0.00 0.00 55.69 55.39 4i1b s MET 20 Cb -0.00 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 33.01 4i1b s MET 20 CO -0.05 -0.93 0.00 0.45 -0.01 0.00 0.00 175.02 174.48 4i1b n SER 21 N 7.17 0.00 -1.67 3.03 2.88 -0.65 -4.87 113.62 119.50 4i1b n SER 21 Ca 0.14 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 4i1b n SER 21 Cb 0.46 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 4i1b n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4i1b n GLY 22 N 2.43 1.72 0.24 0.46 0.00 -1.25 -4.95 105.19 103.84 4i1b n GLY 22 Ca 0.00 -2.08 0.16 0.00 0.00 0.00 0.00 46.02 44.09 4i1b n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4i1b h PRO 23 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.31 132.00 128.40 4i1b h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 4i1b h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 4i1b h PRO 23 CO 0.00 0.00 -0.02 0.66 -0.23 0.00 0.00 178.00 178.41 4i1b n TYR 24 N -2.59 0.00 -4.67 1.56 4.02 -1.26 -5.03 117.16 109.18 4i1b n TYR 24 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 4i1b n TYR 24 Cb 0.08 0.06 -0.13 0.00 -0.02 0.00 0.00 39.34 39.32 4i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 4i1b s GLU 25 N 0.00 1.99 0.00 -0.72 2.02 -1.25 -3.76 118.70 116.98 4i1b s GLU 25 Ca 0.00 -1.02 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 4i1b s GLU 25 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 4i1b s GLU 25 CO 0.00 0.53 0.19 -0.51 0.02 0.00 0.00 175.26 175.48 4i1b s LEU 26 N -1.46 4.36 0.12 1.80 1.43 -1.26 -1.63 118.68 122.04 4i1b s LEU 26 Ca 0.14 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.68 4i1b s LEU 26 Cb -0.10 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 4i1b s LEU 26 CO 0.05 0.25 -0.26 -0.54 0.23 0.00 0.00 176.35 176.08 4i1b s LYS 27 N -2.02 1.45 -0.10 1.70 1.02 0.13 -1.89 119.74 120.03 4i1b s LYS 27 Ca 0.28 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 54.96 4i1b s LYS 27 Cb -0.13 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 4i1b s LYS 27 CO 0.20 0.46 -0.12 0.00 -0.92 0.00 0.00 175.35 174.96 4i1b s ALA 28 N -1.05 2.68 -0.02 5.17 0.00 -0.73 -1.26 121.76 126.55 4i1b s ALA 28 Ca 0.14 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 4i1b s ALA 28 Cb -0.10 -1.16 0.04 0.00 0.00 0.00 0.00 23.12 21.90 4i1b s ALA 28 CO 0.06 0.36 0.42 -0.48 0.00 0.00 0.00 175.76 176.13 4i1b s LEU 29 N -0.06 0.39 -0.41 0.00 2.34 -0.73 -1.06 118.68 119.15 4i1b s LEU 29 Ca -0.02 0.26 -0.29 0.00 0.06 0.00 0.00 54.13 54.14 4i1b s LEU 29 Cb -0.14 1.66 0.01 0.00 -0.56 0.00 0.00 46.19 47.16 4i1b s LEU 29 CO 0.04 -0.51 1.30 -1.00 -1.06 0.00 0.00 176.35 175.12 4i1b s HIS 30 N -1.35 2.60 0.02 3.48 3.76 -1.26 -0.76 115.29 121.78 4i1b s HIS 30 Ca -0.12 0.74 0.06 0.00 -0.15 0.00 0.00 55.06 55.59 4i1b s HIS 30 Cb -0.03 -4.25 -0.03 0.00 1.11 0.00 0.00 32.58 29.38 4i1b s HIS 30 CO 0.06 -1.68 -0.16 -0.51 -0.85 0.00 0.00 174.74 171.60 4i1b s LEU 31 N 4.88 2.70 0.25 0.89 1.43 -1.26 -4.96 118.68 122.61 4i1b s LEU 31 Ca 0.56 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 4i1b s LEU 31 Cb -0.12 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.54 4i1b s LEU 31 CO 0.30 0.27 0.58 -1.58 0.23 0.00 0.00 176.35 176.15 4i1b s GLN 32 N -1.33 1.60 1.64 1.70 0.74 -1.26 -4.90 119.66 117.86 4i1b s GLN 32 Ca 0.15 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 54.49 4i1b s GLN 32 Cb -0.11 0.53 0.00 0.00 1.10 0.00 0.00 33.01 34.54 4i1b s GLN 32 CO 0.05 -0.70 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 4i1b n GLY 33 N -0.40 -1.48 0.00 2.59 0.00 -1.26 -3.59 105.19 101.05 4i1b n GLY 33 Ca -0.04 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.60 4i1b n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4i1b n GLN 34 N 0.00 0.07 0.23 1.61 10.64 -1.26 -2.99 117.38 125.67 4i1b n GLN 34 Ca 0.00 0.24 0.11 0.00 -1.83 0.00 0.00 57.00 55.52 4i1b n GLN 34 Cb 0.00 -1.50 0.39 0.00 -0.86 0.00 0.00 30.24 28.27 4i1b n GLN 34 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 4i1b h ASP 35 N 0.00 0.00 -0.81 2.61 1.82 -1.99 -1.78 116.42 116.26 4i1b h ASP 35 Ca 0.00 0.00 0.23 0.00 -0.39 0.00 0.00 57.03 56.87 4i1b h ASP 35 Cb 0.18 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 4i1b h ASP 35 CO 0.00 0.15 0.78 -0.03 -1.61 0.00 0.00 179.24 178.53 4i1b h MET 36 N 0.00 0.00 -0.94 0.28 4.05 -1.70 -1.95 114.93 114.68 4i1b h MET 36 Ca -0.00 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.55 4i1b h MET 36 Cb 0.83 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.54 4i1b h MET 36 CO 0.02 0.00 0.56 1.05 0.23 0.00 0.00 176.91 178.77 4i1b h GLU 37 N 0.00 0.81 0.00 0.39 4.11 -1.58 -2.89 114.58 115.43 4i1b h GLU 37 Ca 0.38 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.77 4i1b h GLU 37 Cb 1.94 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.01 4i1b h GLU 37 CO -0.00 0.54 0.00 0.00 0.07 0.00 0.00 179.01 179.61 4i1b n GLN 38 N -4.72 0.28 -3.68 1.06 10.64 -0.73 -4.77 117.38 115.46 4i1b n GLN 38 Ca 0.18 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.99 4i1b n GLN 38 Cb 0.40 -1.25 -0.06 0.00 -0.86 0.00 0.00 30.24 28.47 4i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 4i1b s GLN 39 N -2.00 3.68 0.02 2.61 -2.07 -1.09 -4.58 119.66 116.23 4i1b s GLN 39 Ca 0.07 0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 53.42 4i1b s GLN 39 Cb 0.03 -3.15 -0.05 0.00 -1.09 0.00 0.00 33.01 28.75 4i1b s GLN 39 CO 0.05 0.69 1.16 0.08 -1.32 0.00 0.00 175.29 175.96 4i1b s VAL 40 N -1.16 4.22 -0.17 3.63 1.01 -0.58 -5.00 120.40 122.36 4i1b s VAL 40 Ca 0.23 1.59 -0.14 0.00 0.00 0.00 0.00 61.98 63.66 4i1b s VAL 40 Cb -0.14 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 4i1b s VAL 40 CO 0.12 0.09 0.29 -0.69 0.00 0.00 0.00 175.10 174.91 4i1b s VAL 41 N 1.34 5.30 0.21 2.92 1.01 -1.26 -4.63 120.40 125.30 4i1b s VAL 41 Ca 0.57 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 4i1b s VAL 41 Cb -0.27 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 4i1b s VAL 41 CO 0.27 0.37 0.56 -0.36 0.00 0.00 0.00 175.10 175.95 4i1b s PHE 42 N 0.59 3.47 -0.37 5.22 0.40 -0.58 -0.77 117.98 125.95 4i1b s PHE 42 Ca 0.16 0.95 -0.14 0.00 -0.60 0.00 0.00 56.93 57.30 4i1b s PHE 42 Cb -0.13 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.09 4i1b s PHE 42 CO 0.04 0.30 0.27 -1.54 0.70 0.00 0.00 175.22 174.99 4i1b s SER 43 N -2.17 6.08 -0.30 1.36 1.04 0.14 -2.87 113.70 116.99 4i1b s SER 43 Ca 0.45 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 4i1b s SER 43 Cb -0.12 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 4i1b s SER 43 CO 0.20 -0.32 0.28 -0.32 0.98 0.00 0.00 173.24 174.06 4i1b s MET 44 N 1.72 3.84 -0.17 4.02 1.75 -0.56 -0.83 119.30 129.08 4i1b s MET 44 Ca 0.06 -0.28 -0.07 0.00 -1.25 0.00 0.00 55.69 54.15 4i1b s MET 44 Cb -0.18 -3.70 -0.04 0.00 2.84 0.00 0.00 34.83 33.75 4i1b s MET 44 CO 0.10 -0.30 0.05 -1.12 -0.65 0.00 0.00 175.02 173.11 4i1b s SER 45 N 1.72 5.56 -0.92 1.11 0.01 -0.41 -0.53 113.70 120.24 4i1b s SER 45 Ca 0.10 0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 4i1b s SER 45 Cb -0.16 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.21 4i1b s SER 45 CO 0.11 0.20 1.31 -0.36 0.41 0.00 0.00 173.24 174.90 4i1b s PHE 46 N 0.23 2.63 0.42 2.43 0.08 -0.10 -0.04 117.98 123.63 4i1b s PHE 46 Ca 0.03 -0.80 0.08 0.00 0.12 0.00 0.00 56.93 56.37 4i1b s PHE 46 Cb -0.12 -4.56 0.01 0.00 -0.57 0.00 0.00 43.02 37.77 4i1b s PHE 46 CO 0.01 -1.84 0.54 0.14 -0.10 0.00 0.00 175.22 173.97 4i1b s VAL 47 N 4.53 2.93 0.03 -0.44 -7.23 -1.20 -4.46 120.40 114.58 4i1b s VAL 47 Ca 0.39 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 4i1b s VAL 47 Cb -0.04 -2.99 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 4i1b s VAL 47 CO -0.04 0.00 1.28 0.00 -0.31 0.00 0.00 175.10 176.03 4i1b s GLN 48 N -4.32 4.36 0.00 4.82 -2.07 -0.16 -4.69 119.66 117.60 4i1b s GLN 48 Ca 0.54 1.85 0.00 0.00 -1.82 0.00 0.00 55.36 55.93 4i1b s GLN 48 Cb -0.09 -3.42 0.00 0.00 -1.09 0.00 0.00 33.01 28.41 4i1b s GLN 48 CO 0.32 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 4i1b n GLY 49 N 3.39 -0.96 3.59 2.60 0.00 -1.26 -4.81 105.19 107.74 4i1b n GLY 49 Ca 0.11 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 4i1b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4i1b s GLU 50 N -0.09 3.58 -0.13 1.61 2.02 -1.26 -4.95 118.70 119.48 4i1b s GLU 50 Ca 0.00 0.40 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 4i1b s GLU 50 Cb 0.00 -3.99 -0.02 0.00 0.10 0.00 0.00 34.13 30.22 4i1b s GLU 50 CO 0.00 -1.59 -0.10 -1.83 0.02 0.00 0.00 175.26 171.76 4i1b s GLU 51 N 4.82 3.37 0.46 1.61 -1.05 -1.26 -4.51 118.70 122.14 4i1b s GLU 51 Ca 0.46 -0.62 0.02 0.00 -0.15 0.00 0.00 54.97 54.69 4i1b s GLU 51 Cb -0.08 -2.70 -0.02 0.00 -0.44 0.00 0.00 34.13 30.89 4i1b s GLU 51 CO 0.28 0.29 0.06 0.45 0.95 0.00 0.00 175.26 177.29 4i1b s SER 52 N 0.18 3.52 0.22 0.83 0.15 -0.28 -4.99 113.70 113.33 4i1b s SER 52 Ca -0.05 -1.66 -0.04 0.00 0.70 0.00 0.00 55.95 54.90 4i1b s SER 52 Cb -0.15 0.50 0.20 0.00 -1.71 0.00 0.00 66.02 64.87 4i1b s SER 52 CO 0.04 -0.88 1.63 0.78 1.20 0.00 0.00 173.24 176.01 4i1b h ASN 53 N 1.56 0.75 1.45 5.45 2.35 -2.00 -2.92 115.58 122.21 4i1b h ASN 53 Ca -0.40 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 54.98 4i1b h ASN 53 Cb 1.29 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 4i1b h ASN 53 CO 0.66 0.97 -0.56 0.44 -1.65 0.00 0.00 177.43 177.28 4i1b h ASP 54 N 0.64 0.00 -3.25 5.81 5.19 -1.93 -3.46 116.42 119.42 4i1b h ASP 54 Ca 0.09 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.99 4i1b h ASP 54 Cb 0.75 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.88 4i1b h ASP 54 CO 0.06 0.44 -0.78 -0.75 -3.12 0.00 0.00 179.24 175.09 4i1b s LYS 55 N -2.99 1.10 -0.11 3.56 2.20 -1.10 -3.13 119.74 119.26 4i1b s LYS 55 Ca 0.03 -0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 4i1b s LYS 55 Cb 0.07 -1.58 0.01 0.00 -1.51 0.00 0.00 37.83 34.83 4i1b s LYS 55 CO 0.75 -0.37 -0.17 0.42 -0.36 0.00 0.00 175.35 175.62 4i1b s ILE 56 N 1.79 1.61 0.04 5.43 -1.09 0.19 -1.13 121.20 128.04 4i1b s ILE 56 Ca 0.03 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 4i1b s ILE 56 Cb -0.14 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 4i1b s ILE 56 CO -0.07 0.46 1.02 -2.16 -1.23 0.00 0.00 174.94 172.96 4i1b s PRO 57 N 0.94 4.56 0.12 2.79 0.04 -1.26 -0.48 135.00 141.72 4i1b s PRO 57 Ca -0.07 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.51 4i1b s PRO 57 Cb -0.15 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 4i1b s PRO 57 CO -0.01 -0.04 -0.10 0.14 0.04 0.00 0.00 177.00 177.03 4i1b s VAL 58 N 0.80 1.02 0.03 -0.36 -7.23 0.13 -3.21 120.40 111.58 4i1b s VAL 58 Ca 0.52 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 4i1b s VAL 58 Cb -0.23 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 4i1b s VAL 58 CO 0.29 -0.67 0.06 0.00 -0.31 0.00 0.00 175.10 174.47 4i1b s ALA 59 N -2.95 3.50 -0.40 1.32 0.00 0.94 -1.56 121.76 122.61 4i1b s ALA 59 Ca 0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 4i1b s ALA 59 Cb 0.00 -1.47 0.10 0.00 0.00 0.00 0.00 23.12 21.76 4i1b s ALA 59 CO -0.00 0.70 0.18 -0.51 0.00 0.00 0.00 175.76 176.13 4i1b s LEU 60 N -1.92 5.13 0.37 0.00 1.43 -1.26 -1.29 118.68 121.14 4i1b s LEU 60 Ca 0.24 -1.97 0.07 0.00 -1.03 0.00 0.00 54.13 51.45 4i1b s LEU 60 Cb -0.12 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 4i1b s LEU 60 CO 0.16 -0.52 0.44 -0.83 0.23 0.00 0.00 176.35 175.83 4i1b s GLY 61 N 1.75 1.82 0.22 -3.19 0.00 -0.01 -1.74 107.32 106.17 4i1b s GLY 61 Ca 0.07 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 43.08 4i1b s GLY 61 CO -0.04 -1.51 0.51 1.08 0.00 0.00 0.00 173.10 173.15 4i1b s LEU 62 N -4.17 4.17 0.03 0.66 1.43 -0.77 0.26 118.68 120.30 4i1b s LEU 62 Ca 0.47 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 4i1b s LEU 62 Cb -0.08 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 4i1b s LEU 62 CO 0.30 -0.07 1.12 0.50 0.23 0.00 0.00 176.35 178.43 4i1b h LYS 63 N 2.48 -0.07 -1.24 1.70 3.64 -1.20 -3.16 116.57 118.72 4i1b h LYS 63 Ca -0.47 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.44 4i1b h LYS 63 Cb 1.17 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.60 4i1b h LYS 63 CO 0.69 -0.05 -0.94 0.39 -2.27 0.00 0.00 179.45 177.28 4i1b n GLU 64 N -3.31 2.44 -4.72 1.90 4.71 -1.26 -4.79 120.64 115.61 4i1b n GLU 64 Ca -0.01 -3.94 -0.26 0.00 -0.01 0.00 0.00 57.16 52.94 4i1b n GLU 64 Cb 0.07 -1.81 -0.14 0.00 -1.01 0.00 0.00 31.44 28.54 4i1b n GLU 64 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 4i1b s LYS 65 N -3.38 1.47 -1.40 3.49 1.02 -1.19 -5.06 119.74 114.69 4i1b s LYS 65 Ca 0.39 -0.95 -0.09 0.00 0.02 0.00 0.00 55.97 55.34 4i1b s LYS 65 Cb 0.42 -1.58 0.07 0.00 -0.52 0.00 0.00 37.83 36.23 4i1b s LYS 65 CO -0.08 0.41 2.32 0.27 -0.92 0.00 0.00 175.35 177.34 4i1b n ASN 66 N 1.91 6.41 -3.78 2.83 6.94 -1.26 -4.44 115.26 123.86 4i1b n ASN 66 Ca -0.17 -2.95 -0.23 0.00 -0.02 0.00 0.00 54.58 51.21 4i1b n ASN 66 Cb 0.53 -1.50 -0.17 0.00 -2.36 0.00 0.00 39.78 36.27 4i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 4i1b s LEU 67 N -0.13 0.66 0.01 -4.53 1.43 -1.26 -1.53 118.68 113.34 4i1b s LEU 67 Ca 0.51 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 4i1b s LEU 67 Cb 0.15 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 4i1b s LEU 67 CO -0.06 -0.19 -0.24 -0.31 0.23 0.00 0.00 176.35 175.79 4i1b s TYR 68 N 1.94 2.13 0.02 0.29 2.02 -0.51 -1.85 117.35 121.39 4i1b s TYR 68 Ca 0.05 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 4i1b s TYR 68 Cb -0.12 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 4i1b s TYR 68 CO -0.06 0.04 1.33 -0.51 -1.57 0.00 0.00 175.55 174.77 4i1b s LEU 69 N -0.87 4.33 0.14 -1.29 1.43 -0.71 0.19 118.68 121.89 4i1b s LEU 69 Ca 0.10 2.07 0.06 0.00 -1.03 0.00 0.00 54.13 55.33 4i1b s LEU 69 Cb -0.09 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 4i1b s LEU 69 CO 0.00 -0.64 -0.14 -0.94 0.23 0.00 0.00 176.35 174.86 4i1b s SER 70 N 1.54 2.10 -0.24 2.29 1.04 -0.31 -4.49 113.70 115.65 4i1b s SER 70 Ca 0.61 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 4i1b s SER 70 Cb -0.31 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 4i1b s SER 70 CO 0.27 -0.15 0.09 0.00 0.98 0.00 0.00 173.24 174.42 4i1b s VAL 72 N 1.29 0.06 -0.12 0.00 0.11 -0.35 -4.60 120.40 116.80 4i1b s VAL 72 Ca 0.05 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 4i1b s VAL 72 Cb -0.15 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 4i1b s VAL 72 CO 0.04 -0.29 1.09 -0.76 -3.33 0.00 0.00 175.10 171.85 4i1b s LEU 73 N -1.23 4.22 -0.40 2.54 1.43 -1.26 0.14 118.68 124.12 4i1b s LEU 73 Ca -0.13 1.60 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 4i1b s LEU 73 Cb -0.06 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.77 4i1b s LEU 73 CO 0.03 -0.55 0.38 -0.54 0.23 0.00 0.00 176.35 175.90 4i1b s LYS 74 N 2.42 0.78 0.00 1.70 1.02 -0.30 -4.83 119.74 120.52 4i1b s LYS 74 Ca 0.50 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 55.05 4i1b s LYS 74 Cb -0.20 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 4i1b s LYS 74 CO 0.17 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 173.06 4i1b n ASP 75 N 3.51 -0.97 -2.57 2.83 9.92 -1.26 -4.33 116.55 123.68 4i1b n ASP 75 Ca 0.19 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.26 4i1b n ASP 75 Cb 0.46 -0.24 -0.00 0.00 -0.64 0.00 0.00 41.12 40.70 4i1b n ASP 75 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 4i1b n ASP 76 N 0.53 -5.41 -3.93 -2.24 8.00 -1.26 -4.97 116.55 107.27 4i1b n ASP 76 Ca 0.00 -0.04 -0.20 0.00 0.71 0.00 0.00 54.79 55.26 4i1b n ASP 76 Cb 0.24 -4.49 -0.16 0.00 -0.02 0.00 0.00 41.12 36.70 4i1b n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 4i1b s LYS 77 N -5.21 0.92 0.23 -1.24 1.02 -1.26 -5.13 119.74 109.06 4i1b s LYS 77 Ca 0.08 -0.18 -0.32 0.00 0.02 0.00 0.00 55.97 55.57 4i1b s LYS 77 Cb -0.03 -0.87 -0.13 0.00 -0.52 0.00 0.00 37.83 36.27 4i1b s LYS 77 CO 0.09 -0.02 1.52 -2.30 -0.92 0.00 0.00 175.35 173.73 4i1b n PRO 78 N 3.80 2.28 -4.13 -1.68 -0.02 -1.26 -1.15 135.00 132.84 4i1b n PRO 78 Ca -0.23 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 61.91 4i1b n PRO 78 Cb 0.52 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 4i1b n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 4i1b s THR 79 N 0.31 0.41 -0.19 3.45 2.01 0.12 -4.77 115.64 116.98 4i1b s THR 79 Ca 0.71 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 62.17 4i1b s THR 79 Cb -0.61 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 4i1b s THR 79 CO 0.45 0.03 0.51 -0.22 -0.69 0.00 0.00 174.62 174.70 4i1b s LEU 80 N -0.35 4.15 0.18 4.42 2.96 -1.26 -1.21 118.68 127.57 4i1b s LEU 80 Ca -0.00 0.68 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 4i1b s LEU 80 Cb -0.03 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 4i1b s LEU 80 CO -0.00 -0.17 -0.09 0.00 -1.32 0.00 0.00 176.35 174.77 4i1b s GLN 81 N 1.57 1.20 -0.18 1.98 -2.07 -0.37 -4.88 119.66 116.91 4i1b s GLN 81 Ca 0.24 -1.54 -0.20 0.00 -1.82 0.00 0.00 55.36 52.04 4i1b s GLN 81 Cb -0.15 -0.76 -0.03 0.00 -1.09 0.00 0.00 33.01 30.98 4i1b s GLN 81 CO 0.10 0.06 0.57 -0.51 -1.32 0.00 0.00 175.29 174.19 4i1b s LEU 82 N -3.24 4.18 -0.14 2.60 2.01 -1.25 -1.16 118.68 121.69 4i1b s LEU 82 Ca 0.21 0.80 -0.00 0.00 0.01 0.00 0.00 54.13 55.14 4i1b s LEU 82 Cb 0.02 -2.80 -0.01 0.00 0.01 0.00 0.00 46.19 43.41 4i1b s LEU 82 CO 0.04 -0.18 -0.13 -0.70 1.01 0.00 0.00 176.35 176.39 4i1b s GLU 83 N 1.53 3.37 0.23 1.70 2.12 0.13 -4.88 118.70 122.89 4i1b s GLU 83 Ca 0.27 -0.69 -0.31 0.00 0.36 0.00 0.00 54.97 54.61 4i1b s GLU 83 Cb -0.16 -2.65 -0.10 0.00 0.26 0.00 0.00 34.13 31.48 4i1b s GLU 83 CO 0.11 0.17 1.51 -1.12 -0.54 0.00 0.00 175.26 175.39 4i1b s SER 84 N 0.47 6.58 0.23 -1.70 0.01 -1.26 -1.42 113.70 116.60 4i1b s SER 84 Ca -0.09 2.71 0.10 0.00 1.31 0.00 0.00 55.95 59.97 4i1b s SER 84 Cb -0.16 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 4i1b s SER 84 CO 0.05 -0.78 -0.18 0.68 0.41 0.00 0.00 173.24 173.41 4i1b s VAL 85 N 0.37 2.10 -0.13 3.43 -7.23 -0.58 -4.97 120.40 113.40 4i1b s VAL 85 Ca 0.64 -2.24 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 4i1b s VAL 85 Cb -0.44 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 4i1b s VAL 85 CO 0.40 -0.44 2.06 -0.67 -0.31 0.00 0.00 175.10 176.14 4i1b n ASP 86 N -0.33 3.45 0.00 4.85 4.64 -1.26 -4.85 116.55 123.05 4i1b n ASP 86 Ca -0.08 0.63 0.12 0.00 -1.38 0.00 0.00 54.79 54.09 4i1b n ASP 86 Cb 0.59 -1.47 0.69 0.00 -1.04 0.00 0.00 41.12 39.90 4i1b n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 4i1b n PRO 87 N 7.80 0.61 0.07 -0.67 -0.04 -1.26 -2.11 135.00 139.40 4i1b n PRO 87 Ca 0.26 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 4i1b n PRO 87 Cb 0.37 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 4i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 4i1b n LYS 88 N -1.12 0.62 0.00 0.54 4.76 -1.26 -4.38 118.16 117.32 4i1b n LYS 88 Ca 0.16 0.08 0.11 0.00 -2.87 0.00 0.00 58.31 55.80 4i1b n LYS 88 Cb 0.13 -1.77 0.08 0.00 -1.84 0.00 0.00 35.03 31.63 4i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 4i1b n ASN 89 N -2.64 2.75 -3.97 4.39 3.02 -0.90 -4.95 115.26 112.95 4i1b n ASN 89 Ca -0.03 -1.87 -0.15 0.00 -0.03 0.00 0.00 54.58 52.50 4i1b n ASN 89 Cb 0.61 0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.73 4i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 4i1b s TYR 90 N -2.00 0.50 0.54 3.10 1.51 -1.22 -4.44 117.35 115.34 4i1b s TYR 90 Ca 0.25 -0.16 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 4i1b s TYR 90 Cb 0.19 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 4i1b s TYR 90 CO 0.33 -0.02 0.87 -1.25 -1.11 0.00 0.00 175.55 174.37 4i1b s PRO 91 N -0.37 3.43 0.23 -1.71 0.04 -1.26 -4.90 135.00 130.47 4i1b s PRO 91 Ca -0.00 0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.43 4i1b s PRO 91 Cb -0.03 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 4i1b s PRO 91 CO -0.00 -0.39 -0.18 0.15 0.04 0.00 0.00 177.00 176.62 4i1b s LYS 92 N -4.89 1.49 0.06 4.56 1.02 -1.26 -4.89 119.74 115.82 4i1b s LYS 92 Ca 0.50 -1.63 -0.19 0.00 0.02 0.00 0.00 55.97 54.67 4i1b s LYS 92 Cb -0.10 -1.49 -0.13 0.00 -0.52 0.00 0.00 37.83 35.59 4i1b s LYS 92 CO 0.47 0.28 1.36 -0.22 -0.92 0.00 0.00 175.35 176.32 4i1b h LYS 93 N 2.59 0.46 -3.88 1.68 3.64 -1.97 -3.37 116.57 115.72 4i1b h LYS 93 Ca -0.40 -0.24 -0.77 0.00 -1.27 0.00 0.00 60.65 57.96 4i1b h LYS 93 Cb 1.23 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.83 4i1b h LYS 93 CO 0.58 0.81 0.99 1.17 -2.27 0.00 0.00 179.45 180.74 4i1b n LYS 94 N -4.47 3.62 -1.81 1.90 4.81 -1.26 -0.99 118.16 119.96 4i1b n LYS 94 Ca -0.05 -4.16 -0.32 0.00 -0.87 0.00 0.00 58.31 52.90 4i1b n LYS 94 Cb 0.40 -2.76 0.04 0.00 0.02 0.00 0.00 35.03 32.73 4i1b n LYS 94 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 4i1b s MET 95 N -0.32 2.98 0.49 1.64 -1.94 -1.26 -5.01 119.30 115.88 4i1b s MET 95 Ca 0.36 1.25 -0.23 0.00 -1.71 0.00 0.00 55.69 55.36 4i1b s MET 95 Cb -0.03 -1.98 -0.06 0.00 2.01 0.00 0.00 34.83 34.76 4i1b s MET 95 CO -0.02 -1.09 1.28 -1.21 -0.01 0.00 0.00 175.02 173.97 4i1b s GLU 96 N -4.26 3.50 0.40 2.03 8.01 -1.26 -4.93 118.70 122.19 4i1b s GLU 96 Ca 0.64 2.07 0.14 0.00 0.01 0.00 0.00 54.97 57.83 4i1b s GLU 96 Cb -0.18 -2.40 0.98 0.00 -4.31 0.00 0.00 34.13 28.23 4i1b s GLU 96 CO 0.42 -0.85 1.88 -0.22 0.01 0.00 0.00 175.26 176.51 4i1b h LYS 97 N 1.88 0.49 0.00 1.61 3.64 -1.96 -1.20 116.57 121.03 4i1b h LYS 97 Ca -0.50 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 4i1b h LYS 97 Cb 1.27 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 4i1b h LYS 97 CO 0.59 0.33 -0.07 0.07 -2.27 0.00 0.00 179.45 178.10 4i1b h ARG 98 N 0.51 0.00 -0.26 1.90 0.11 -1.92 -2.09 114.38 112.62 4i1b h ARG 98 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 4i1b h ARG 98 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 4i1b h ARG 98 CO -0.17 0.07 0.00 1.19 0.10 0.00 0.00 179.97 181.16 4i1b n PHE 99 N -4.06 0.35 -4.19 4.08 3.72 -0.45 -1.05 117.46 115.85 4i1b n PHE 99 Ca -0.03 -0.17 -0.34 0.00 -0.05 0.00 0.00 57.45 56.86 4i1b n PHE 99 Cb 0.16 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.59 4i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 4i1b s VAL 100 N -1.65 4.40 -0.05 -4.37 1.01 -0.79 -4.35 120.40 114.60 4i1b s VAL 100 Ca 0.27 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.11 4i1b s VAL 100 Cb 0.14 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 4i1b s VAL 100 CO 0.20 0.49 -0.15 -0.36 0.00 0.00 0.00 175.10 175.28 4i1b s PHE 101 N 0.26 2.70 -0.44 5.22 0.08 -0.60 -1.90 117.98 123.30 4i1b s PHE 101 Ca 0.01 -0.18 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 4i1b s PHE 101 Cb -0.13 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.71 4i1b s PHE 101 CO 0.01 0.17 0.81 -0.80 -0.10 0.00 0.00 175.22 175.31 4i1b s ASN 102 N -0.68 6.45 -0.23 1.36 0.02 0.17 0.18 114.94 122.20 4i1b s ASN 102 Ca 0.10 -0.01 -0.29 0.00 -1.02 0.00 0.00 52.86 51.65 4i1b s ASN 102 Cb -0.11 -2.40 -0.00 0.00 0.02 0.00 0.00 41.25 38.76 4i1b s ASN 102 CO 0.01 -0.92 1.22 -0.75 0.02 0.00 0.00 177.10 176.67 4i1b s LYS 103 N 3.37 4.14 -0.22 -0.60 2.20 0.37 -1.38 119.74 127.62 4i1b s LYS 103 Ca 0.32 1.45 0.02 0.00 -0.36 0.00 0.00 55.97 57.39 4i1b s LYS 103 Cb -0.12 -3.77 0.04 0.00 -1.51 0.00 0.00 37.83 32.47 4i1b s LYS 103 CO 0.23 -0.82 -0.15 0.42 -0.36 0.00 0.00 175.35 174.66 4i1b s ILE 104 N 3.69 2.08 -0.33 5.43 1.01 -0.57 -0.63 121.20 131.88 4i1b s ILE 104 Ca 0.52 -1.26 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 4i1b s ILE 104 Cb -0.18 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.25 4i1b s ILE 104 CO 0.15 0.26 0.76 -1.61 0.00 0.00 0.00 174.94 174.50 4i1b s GLU 105 N 1.21 3.87 -0.43 2.79 2.02 -1.18 -1.50 118.70 125.49 4i1b s GLU 105 Ca -0.02 0.44 0.05 0.00 0.02 0.00 0.00 54.97 55.46 4i1b s GLU 105 Cb -0.16 -3.76 0.20 0.00 0.10 0.00 0.00 34.13 30.51 4i1b s GLU 105 CO -0.09 -0.72 0.42 -0.89 0.02 0.00 0.00 175.26 173.99 4i1b n ILE 106 N 5.60 -0.82 -1.62 -1.63 5.41 -0.16 -4.93 119.36 121.21 4i1b n ILE 106 Ca 0.03 -3.73 -0.00 0.00 1.00 0.00 0.00 62.75 60.05 4i1b n ILE 106 Cb 0.48 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 4i1b n ILE 106 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 4i1b n ASN 107 N 2.29 -2.43 0.00 4.38 4.13 -1.26 -3.91 115.26 118.46 4i1b n ASN 107 Ca 0.27 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.51 4i1b n ASN 107 Cb 0.49 -1.21 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 4i1b n ASN 107 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 4i1b n ASN 108 N -1.21 -0.54 -4.77 6.41 4.13 -1.26 -4.99 115.26 113.03 4i1b n ASN 108 Ca -0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 4i1b n ASN 108 Cb 0.50 -2.35 -0.06 0.00 -1.54 0.00 0.00 39.78 36.34 4i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 4i1b s LYS 109 N -0.99 2.79 -0.04 3.52 1.02 -1.25 -4.83 119.74 119.96 4i1b s LYS 109 Ca 0.00 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.05 4i1b s LYS 109 Cb 0.00 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 4i1b s LYS 109 CO 0.00 0.47 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.36 4i1b s LEU 110 N -3.14 3.37 0.02 3.17 1.43 -0.19 -0.99 118.68 122.34 4i1b s LEU 110 Ca 0.30 0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 4i1b s LEU 110 Cb -0.10 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 4i1b s LEU 110 CO 0.22 0.33 -0.16 -1.61 0.23 0.00 0.00 176.35 175.37 4i1b s GLU 111 N -1.14 2.24 -0.39 1.70 2.02 -0.56 -0.43 118.70 122.13 4i1b s GLU 111 Ca 0.15 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 4i1b s GLU 111 Cb -0.11 -2.27 0.11 0.00 0.10 0.00 0.00 34.13 31.95 4i1b s GLU 111 CO 0.05 0.57 0.17 -0.06 0.02 0.00 0.00 175.26 176.01 4i1b s PHE 112 N -0.89 3.60 0.06 1.61 0.40 -1.26 -1.51 117.98 119.99 4i1b s PHE 112 Ca 0.14 -2.46 -0.23 0.00 -0.60 0.00 0.00 56.93 53.79 4i1b s PHE 112 Cb -0.11 -3.13 -0.06 0.00 0.51 0.00 0.00 43.02 40.23 4i1b s PHE 112 CO 0.05 -0.96 0.68 -2.00 0.70 0.00 0.00 175.22 173.68 4i1b s GLU 113 N 1.12 4.40 -0.02 0.44 2.12 -0.48 -1.71 118.70 124.56 4i1b s GLU 113 Ca 0.08 0.92 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 4i1b s GLU 113 Cb -0.22 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 4i1b s GLU 113 CO -0.05 0.44 1.24 0.45 -0.54 0.00 0.00 175.26 176.80 4i1b s SER 114 N -0.53 7.02 0.56 -1.70 0.15 0.37 0.42 113.70 119.98 4i1b s SER 114 Ca 0.34 1.92 0.23 0.00 0.70 0.00 0.00 55.95 59.14 4i1b s SER 114 Cb -0.20 -2.56 1.53 0.00 -1.71 0.00 0.00 66.02 63.08 4i1b s SER 114 CO 0.21 -0.59 2.18 0.00 1.20 0.00 0.00 173.24 176.24 4i1b h ALA 115 N 7.39 1.83 0.15 5.45 0.00 -1.66 -3.18 119.26 129.25 4i1b h ALA 115 Ca -0.36 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.21 4i1b h ALA 115 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 4i1b h ALA 115 CO 0.87 -0.07 -1.68 0.37 0.00 0.00 0.00 179.25 178.74 4i1b h GLN 116 N 0.00 0.32 -4.61 0.00 5.75 -1.76 -3.40 115.11 111.41 4i1b h GLN 116 Ca 0.03 -0.55 -0.67 0.00 -0.15 0.00 0.00 58.65 57.31 4i1b h GLN 116 Cb 0.12 0.20 -0.39 0.00 1.07 0.00 0.00 27.48 28.49 4i1b h GLN 116 CO -0.00 1.21 -0.67 -0.06 -2.65 0.00 0.00 178.83 176.65 4i1b s PHE 117 N -2.59 3.71 0.26 3.99 0.08 -1.20 -5.09 117.98 117.14 4i1b s PHE 117 Ca -0.13 -2.87 -0.30 0.00 0.12 0.00 0.00 56.93 53.75 4i1b s PHE 117 Cb 0.06 -3.00 -0.11 0.00 -0.57 0.00 0.00 43.02 39.40 4i1b s PHE 117 CO 0.85 -0.95 1.53 -2.14 -0.10 0.00 0.00 175.22 174.40 4i1b s PRO 118 N 0.93 4.20 -0.77 0.24 0.02 -1.25 -1.91 135.00 136.45 4i1b s PRO 118 Ca 0.11 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.56 4i1b s PRO 118 Cb -0.20 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.24 4i1b s PRO 118 CO -0.07 -0.54 0.00 0.09 -0.33 0.00 0.00 177.00 176.15 4i1b n ASN 119 N 2.46 -3.91 -4.74 2.53 5.03 -1.26 -5.03 115.26 110.33 4i1b n ASN 119 Ca 0.08 0.18 -0.36 0.00 0.87 0.00 0.00 54.58 55.35 4i1b n ASN 119 Cb 0.39 -2.05 -0.07 0.00 -1.02 0.00 0.00 39.78 37.02 4i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 4i1b s TRP 120 N -2.26 3.47 0.02 3.10 0.52 -0.80 -4.52 118.94 118.47 4i1b s TRP 120 Ca 0.00 0.55 0.06 0.00 0.02 0.00 0.00 56.10 56.73 4i1b s TRP 120 Cb 0.00 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 4i1b s TRP 120 CO 0.00 0.30 -0.19 0.71 0.02 0.00 0.00 176.95 177.79 4i1b s TYR 121 N 0.29 1.69 -0.12 -1.98 1.51 0.31 -0.48 117.35 118.57 4i1b s TYR 121 Ca 0.15 -0.35 -0.34 0.00 -1.01 0.00 0.00 57.07 55.52 4i1b s TYR 121 Cb -0.13 -1.03 -0.11 0.00 -0.11 0.00 0.00 41.96 40.58 4i1b s TYR 121 CO 0.03 0.05 1.94 -0.89 -1.11 0.00 0.00 175.55 175.57 4i1b n ILE 122 N 2.11 0.55 -4.27 2.71 5.41 -0.69 -0.73 119.36 124.44 4i1b n ILE 122 Ca -0.17 -0.15 -0.23 0.00 1.00 0.00 0.00 62.75 63.21 4i1b n ILE 122 Cb 0.54 -1.94 -0.12 0.00 -0.71 0.00 0.00 39.64 37.41 4i1b n ILE 122 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 4i1b s SER 123 N 4.73 2.41 0.31 4.38 0.01 0.32 -4.54 113.70 121.31 4i1b s SER 123 Ca 0.95 -0.68 0.11 0.00 1.31 0.00 0.00 55.95 57.63 4i1b s SER 123 Cb -0.67 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.38 4i1b s SER 123 CO 0.50 0.04 -0.14 0.42 0.41 0.00 0.00 173.24 174.47 4i1b s THR 124 N -1.20 2.45 0.51 1.44 -4.23 0.83 -2.06 115.64 113.38 4i1b s THR 124 Ca 0.05 -2.28 -0.20 0.00 -1.18 0.00 0.00 61.69 58.08 4i1b s THR 124 Cb -0.10 -2.49 -0.07 0.00 1.34 0.00 0.00 72.50 71.19 4i1b s THR 124 CO 0.04 -0.31 1.11 -0.44 -0.54 0.00 0.00 174.62 174.48 4i1b s SER 125 N -3.57 5.98 0.26 3.99 0.01 -1.26 -0.27 113.70 118.84 4i1b s SER 125 Ca 0.31 2.13 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 4i1b s SER 125 Cb -0.02 -2.58 0.33 0.00 0.21 0.00 0.00 66.02 63.96 4i1b s SER 125 CO 0.16 -1.04 1.84 -0.61 0.41 0.00 0.00 173.24 174.00 4i1b h GLN 126 N 1.46 1.01 -7.03 12.44 5.75 -1.97 -3.44 115.11 123.32 4i1b h GLN 126 Ca -0.50 -0.16 -0.47 0.00 -0.15 0.00 0.00 58.65 57.37 4i1b h GLN 126 Cb 1.25 -0.17 0.02 0.00 1.07 0.00 0.00 27.48 29.65 4i1b h GLN 126 CO 0.58 0.82 0.39 0.00 -2.65 0.00 0.00 178.83 177.97 4i1b s ALA 127 N -5.47 2.95 0.26 3.38 0.00 -1.26 -5.05 121.76 116.57 4i1b s ALA 127 Ca -0.11 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 4i1b s ALA 127 Cb 0.16 -3.25 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 4i1b s ALA 127 CO 0.81 -0.25 0.55 0.39 0.00 0.00 0.00 175.76 177.25 4i1b n GLU 128 N -0.64 0.25 -1.42 0.00 -0.58 -1.26 -4.11 120.64 112.88 4i1b n GLU 128 Ca 0.08 0.09 -0.15 0.00 -0.42 0.00 0.00 57.16 56.76 4i1b n GLU 128 Cb 0.52 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.15 4i1b n GLU 128 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 4i1b n ASN 129 N 1.87 -4.77 -4.94 1.62 3.02 -0.22 -4.96 115.26 106.87 4i1b n ASN 129 Ca 0.15 0.36 -0.25 0.00 -0.03 0.00 0.00 54.58 54.82 4i1b n ASN 129 Cb 0.29 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 35.89 4i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 4i1b s MET 130 N -3.23 3.50 0.48 3.52 -1.94 -1.26 -4.86 119.30 115.51 4i1b s MET 130 Ca 0.00 -0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 53.40 4i1b s MET 130 Cb 0.00 -2.74 -0.08 0.00 2.01 0.00 0.00 34.83 34.01 4i1b s MET 130 CO 0.00 0.26 1.04 -2.14 -0.01 0.00 0.00 175.02 174.17 4i1b s PRO 131 N -3.94 3.81 0.18 2.03 0.02 -1.26 -1.78 135.00 134.05 4i1b s PRO 131 Ca 0.39 1.38 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 4i1b s PRO 131 Cb -0.10 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 4i1b s PRO 131 CO 0.33 -0.43 1.47 0.08 -0.33 0.00 0.00 177.00 178.12 4i1b s VAL 132 N -1.96 2.83 0.21 3.83 1.01 -0.79 -4.57 120.40 120.96 4i1b s VAL 132 Ca 0.67 0.63 0.03 0.00 0.00 0.00 0.00 61.98 63.31 4i1b s VAL 132 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 4i1b s VAL 132 CO 0.20 0.07 -0.02 0.72 0.00 0.00 0.00 175.10 176.07 4i1b s PHE 133 N 0.72 1.46 -0.29 5.22 -0.12 -0.87 -4.82 117.98 119.28 4i1b s PHE 133 Ca 0.65 -0.91 -0.27 0.00 -0.05 0.00 0.00 56.93 56.34 4i1b s PHE 133 Cb -0.41 -0.83 0.01 0.00 -0.63 0.00 0.00 43.02 41.16 4i1b s PHE 133 CO 0.35 -0.05 0.96 -1.17 -0.05 0.00 0.00 175.22 175.26 4i1b s LEU 134 N -3.26 4.03 0.05 -1.99 2.96 -1.26 -0.52 118.68 118.68 4i1b s LEU 134 Ca 0.26 1.02 0.08 0.00 -0.22 0.00 0.00 54.13 55.27 4i1b s LEU 134 Cb 0.05 -3.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 4i1b s LEU 134 CO 0.07 -0.72 -0.22 -0.83 -1.32 0.00 0.00 176.35 173.33 4i1b s GLY 135 N 1.50 1.18 0.00 7.98 0.00 0.09 -4.86 107.32 113.22 4i1b s GLY 135 Ca 0.40 -1.11 0.13 0.00 0.00 0.00 0.00 44.72 44.14 4i1b s GLY 135 CO 0.11 -1.04 0.90 0.61 0.00 0.00 0.00 173.10 173.69 4i1b n GLY 136 N 1.78 -0.14 2.91 0.20 0.00 -1.26 -0.53 105.19 108.15 4i1b n GLY 136 Ca -0.17 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 4i1b n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 4i1b s THR 137 N -1.13 1.80 -0.25 2.61 -1.32 -1.26 -4.79 115.64 111.30 4i1b s THR 137 Ca 0.15 -2.08 -0.29 0.00 -1.21 0.00 0.00 61.69 58.26 4i1b s THR 137 Cb 0.11 -2.33 0.01 0.00 -1.51 0.00 0.00 72.50 68.77 4i1b s THR 137 CO 0.17 -0.64 1.11 -0.54 -2.21 0.00 0.00 174.62 172.51 4i1b s LYS 138 N 1.07 4.17 0.00 7.08 1.02 -1.26 -4.69 119.74 127.13 4i1b s LYS 138 Ca 0.11 1.32 0.00 0.00 0.02 0.00 0.00 55.97 57.42 4i1b s LYS 138 Cb -0.19 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 4i1b s LYS 138 CO -0.13 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 4i1b n GLY 139 N 3.62 -0.10 3.90 -3.33 0.00 -1.26 -5.04 105.19 102.98 4i1b n GLY 139 Ca 0.13 0.40 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 4i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4i1b n GLY 140 N 0.00 -0.47 0.67 -0.02 0.00 -1.26 -4.62 105.19 99.48 4i1b n GLY 140 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 4i1b n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4i1b n GLN 141 N -3.17 0.00 -3.82 1.61 10.64 -1.26 -5.11 117.38 116.27 4i1b n GLN 141 Ca -0.07 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.87 4i1b n GLN 141 Cb 0.31 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.67 4i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 4i1b s ASP 142 N 0.24 6.33 -0.13 2.61 1.01 -1.26 -4.54 116.67 120.93 4i1b s ASP 142 Ca 0.00 0.21 -0.19 0.00 0.71 0.00 0.00 52.55 53.28 4i1b s ASP 142 Cb 0.00 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 4i1b s ASP 142 CO 0.00 -0.07 0.50 -0.63 0.21 0.00 0.00 175.17 175.18 4i1b s ILE 143 N -1.96 5.16 0.00 0.77 1.01 0.63 -4.71 121.20 122.10 4i1b s ILE 143 Ca 0.36 0.99 0.00 0.00 0.00 0.00 0.00 60.65 62.00 4i1b s ILE 143 Cb -0.10 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.53 4i1b s ILE 143 CO 0.30 0.29 0.45 0.35 0.00 0.00 0.00 174.94 176.33 4i1b n THR 144 N 3.88 0.00 -4.37 2.92 -2.24 -1.26 -0.12 114.28 113.08 4i1b n THR 144 Ca -0.06 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.00 4i1b n THR 144 Cb 0.51 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 4i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 4i1b s ASP 145 N -0.03 3.04 0.03 3.42 1.47 -1.26 -4.32 116.67 119.02 4i1b s ASP 145 Ca 0.00 -0.83 -0.00 0.00 1.18 0.00 0.00 52.55 52.90 4i1b s ASP 145 Cb 0.00 -0.20 -0.03 0.00 -0.34 0.00 0.00 42.92 42.35 4i1b s ASP 145 CO 0.00 0.06 -0.03 -0.36 0.68 0.00 0.00 175.17 175.52 4i1b s PHE 146 N -1.70 0.37 0.24 2.11 0.08 0.43 -1.66 117.98 117.84 4i1b s PHE 146 Ca 0.17 -0.66 0.05 0.00 0.12 0.00 0.00 56.93 56.61 4i1b s PHE 146 Cb -0.08 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.08 4i1b s PHE 146 CO 0.08 -0.23 0.31 0.95 -0.10 0.00 0.00 175.22 176.23 4i1b s THR 147 N -2.09 5.05 -0.07 0.64 -4.23 0.16 -1.02 115.64 114.08 4i1b s THR 147 Ca -0.09 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.38 4i1b s THR 147 Cb -0.05 -3.74 -0.00 0.00 1.34 0.00 0.00 72.50 70.05 4i1b s THR 147 CO -0.03 -0.32 -0.22 -0.32 -0.54 0.00 0.00 174.62 173.19 4i1b s MET 148 N -3.91 2.49 -0.07 3.99 1.75 -1.26 -0.99 119.30 121.30 4i1b s MET 148 Ca 0.34 -0.79 0.04 0.00 -1.25 0.00 0.00 55.69 54.02 4i1b s MET 148 Cb -0.09 -2.02 -0.02 0.00 2.84 0.00 0.00 34.83 35.55 4i1b s MET 148 CO 0.28 0.25 -0.17 -0.65 -0.65 0.00 0.00 175.02 174.08 4i1b s GLN 149 N 0.13 2.71 0.43 4.11 1.11 -0.60 -4.96 119.66 122.57 4i1b s GLN 149 Ca -0.10 -0.76 -0.12 0.00 0.01 0.00 0.00 55.36 54.39 4i1b s GLN 149 Cb -0.15 -2.36 -0.07 0.00 -1.01 0.00 0.00 33.01 29.42 4i1b s GLN 149 CO 0.05 0.46 0.82 -0.06 0.01 0.00 0.00 175.29 176.57 4i1b s PHE 150 N -0.32 3.46 0.01 0.91 0.08 -1.26 -0.78 117.98 120.08 4i1b s PHE 150 Ca 0.02 1.15 0.05 0.00 0.12 0.00 0.00 56.93 58.27 4i1b s PHE 150 Cb -0.13 -2.52 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 4i1b s PHE 150 CO 0.02 -0.16 -0.17 0.14 -0.10 0.00 0.00 175.22 174.96 4i1b s VAL 151 N -2.42 1.33 -1.48 -0.44 -7.23 -1.22 -4.86 120.40 104.08 4i1b s VAL 151 Ca 0.53 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 4i1b s VAL 151 Cb -0.10 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.73 4i1b s VAL 151 CO 0.31 0.28 2.40 -1.20 -0.31 0.00 0.00 175.10 176.57 4i1b n SER 152 N 2.40 5.43 0.00 4.85 7.64 -1.26 -4.75 113.62 127.92 4i1b n SER 152 Ca -0.16 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 56.92 4i1b n SER 152 Cb 0.54 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 4i1b n SER 152 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49