#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6i1b n PRO 2 N 0.00 0.72 -2.39 0.00 -0.04 -1.26 -4.73 135.00 127.30 6i1b n PRO 2 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 6i1b n PRO 2 Cb 0.00 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 6i1b n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 6i1b n VAL 3 N 1.07 0.00 -3.63 0.52 0.24 -1.26 -4.91 118.33 110.36 6i1b n VAL 3 Ca 0.00 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.34 61.68 6i1b n VAL 3 Cb 0.36 0.10 -0.17 0.00 -1.47 0.00 0.00 33.84 32.66 6i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 6i1b s ARG 4 N -2.26 0.10 0.70 7.34 0.52 -1.26 -5.08 118.95 119.00 6i1b s ARG 4 Ca 0.01 -0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.10 6i1b s ARG 4 Cb 0.00 -1.64 0.04 0.00 0.52 0.00 0.00 34.95 33.87 6i1b s ARG 4 CO 0.01 -0.61 1.04 -1.12 0.02 0.00 0.00 175.30 174.64 6i1b s SER 5 N 2.12 5.08 -0.22 0.23 0.01 -1.26 -3.11 113.70 116.54 6i1b s SER 5 Ca 0.02 0.72 -0.05 0.00 1.31 0.00 0.00 55.95 57.96 6i1b s SER 5 Cb -0.15 -1.46 0.11 0.00 0.21 0.00 0.00 66.02 64.73 6i1b s SER 5 CO -0.08 -1.47 0.41 -0.22 0.41 0.00 0.00 173.24 172.29 6i1b s LEU 6 N -5.27 -0.68 0.21 2.44 2.96 0.57 -4.91 118.68 114.00 6i1b s LEU 6 Ca 0.59 0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 54.89 6i1b s LEU 6 Cb -0.11 1.30 -0.08 0.00 0.50 0.00 0.00 46.19 47.80 6i1b s LEU 6 CO 0.47 -0.26 1.13 0.20 -1.32 0.00 0.00 176.35 176.57 6i1b s ASN 7 N 2.60 7.20 -0.24 3.68 0.02 -1.26 0.75 114.94 127.69 6i1b s ASN 7 Ca 0.05 2.20 -0.27 0.00 -1.02 0.00 0.00 52.86 53.82 6i1b s ASN 7 Cb -0.14 -2.61 0.15 0.00 0.02 0.00 0.00 41.25 38.67 6i1b s ASN 7 CO -0.14 -0.25 1.14 0.00 0.02 0.00 0.00 177.10 177.87 6i1b s THR 9 N -0.46 3.30 -0.06 0.00 -4.23 -1.02 -1.74 115.64 111.44 6i1b s THR 9 Ca 0.03 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 6i1b s THR 9 Cb -0.03 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.66 6i1b s THR 9 CO -0.05 -0.07 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.04 6i1b s LEU 10 N -4.42 1.80 0.01 4.79 1.43 -1.26 -2.42 118.68 118.61 6i1b s LEU 10 Ca 0.52 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 6i1b s LEU 10 Cb -0.10 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 6i1b s LEU 10 CO 0.34 0.09 -0.16 -0.60 0.23 0.00 0.00 176.35 176.25 6i1b s ARG 11 N 0.39 1.16 0.80 1.70 3.52 -0.37 -3.48 118.95 122.68 6i1b s ARG 11 Ca -0.11 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 54.71 6i1b s ARG 11 Cb -0.14 -1.16 0.10 0.00 -1.56 0.00 0.00 34.95 32.19 6i1b s ARG 11 CO 0.04 0.31 1.15 0.16 -0.81 0.00 0.00 175.30 176.14 6i1b s ASP 12 N -0.75 4.31 0.00 -2.12 -4.77 -0.53 0.00 116.67 112.82 6i1b s ASP 12 Ca 0.05 0.51 0.04 0.00 -3.30 0.00 0.00 52.55 49.85 6i1b s ASP 12 Cb -0.07 -0.96 0.20 0.00 -1.09 0.00 0.00 42.92 41.01 6i1b s ASP 12 CO 0.00 -1.97 1.07 -1.54 0.70 0.00 0.00 175.17 173.43 6i1b n SER 13 N -3.26 0.00 -0.94 2.11 3.41 -1.26 -0.88 113.62 112.80 6i1b n SER 13 Ca 0.10 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 6i1b n SER 13 Cb 0.60 -0.41 0.22 0.00 -0.26 0.00 0.00 64.21 64.37 6i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 6i1b n GLN 14 N -1.41 2.26 -0.87 4.33 -0.06 -1.26 -4.93 117.38 115.44 6i1b n GLN 14 Ca 0.01 -1.87 0.00 0.00 -2.00 0.00 0.00 57.00 53.15 6i1b n GLN 14 Cb 0.04 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.75 6i1b n GLN 14 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 6i1b n GLN 15 N 1.16 0.00 -2.96 3.69 7.27 -0.06 -5.03 117.38 121.45 6i1b n GLN 15 Ca 0.17 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.91 6i1b n GLN 15 Cb 0.54 -2.37 -0.06 0.00 2.41 0.00 0.00 30.24 30.77 6i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 6i1b s LYS 16 N -0.13 4.06 0.39 3.69 1.02 -1.26 -4.81 119.74 122.69 6i1b s LYS 16 Ca 0.00 0.82 0.08 0.00 0.02 0.00 0.00 55.97 56.89 6i1b s LYS 16 Cb 0.00 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 6i1b s LYS 16 CO 0.00 0.05 0.33 -1.12 -0.92 0.00 0.00 175.35 173.69 6i1b s SER 17 N -2.37 5.07 -0.16 2.83 0.01 -1.04 -1.45 113.70 116.60 6i1b s SER 17 Ca 0.57 -0.69 -0.09 0.00 1.31 0.00 0.00 55.95 57.05 6i1b s SER 17 Cb -0.10 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 6i1b s SER 17 CO 0.18 -0.54 0.15 -0.76 0.41 0.00 0.00 173.24 172.67 6i1b s LEU 18 N -4.06 4.30 0.00 2.44 1.43 -1.23 -2.32 118.68 119.24 6i1b s LEU 18 Ca 0.45 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 6i1b s LEU 18 Cb -0.04 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 6i1b s LEU 18 CO 0.27 0.29 -0.15 0.68 0.23 0.00 0.00 176.35 177.68 6i1b s VAL 19 N -0.35 1.15 -0.94 -1.59 -7.23 0.82 -2.56 120.40 109.69 6i1b s VAL 19 Ca 0.12 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.35 6i1b s VAL 19 Cb -0.12 -0.98 0.05 0.00 0.56 0.00 0.00 36.38 35.90 6i1b s VAL 19 CO 0.01 0.26 1.38 0.00 -0.31 0.00 0.00 175.10 176.44 6i1b s MET 20 N -0.51 3.49 0.27 4.82 0.23 -1.26 0.03 119.30 126.37 6i1b s MET 20 Ca 0.05 -0.96 0.12 0.00 -1.03 0.00 0.00 55.69 53.87 6i1b s MET 20 Cb -0.06 -5.04 0.29 0.00 -1.53 0.00 0.00 34.83 28.48 6i1b s MET 20 CO -0.00 -2.16 1.55 1.03 -2.03 0.00 0.00 175.02 173.41 6i1b h SER 21 N 9.78 0.00 -4.96 -1.18 0.87 -1.82 -3.47 113.55 112.78 6i1b h SER 21 Ca 0.08 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.13 6i1b h SER 21 Cb 1.02 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.85 6i1b h SER 21 CO 1.37 0.63 -0.49 -0.83 -0.53 0.00 0.00 176.83 176.98 6i1b s GLY 22 N -4.49 2.47 0.07 5.77 0.00 -0.99 -5.01 107.32 105.14 6i1b s GLY 22 Ca 0.00 -1.76 -0.37 0.00 0.00 0.00 0.00 44.72 42.59 6i1b s GLY 22 CO 0.75 -1.60 1.57 -2.55 0.00 0.00 0.00 173.10 171.27 6i1b h PRO 23 N 2.00 -1.17 -0.80 2.90 0.11 -2.02 -3.18 132.00 129.84 6i1b h PRO 23 Ca -0.28 0.08 -0.55 0.00 0.11 0.00 0.00 66.00 65.36 6i1b h PRO 23 Cb 1.25 0.27 -0.32 0.00 0.11 0.00 0.00 31.00 32.30 6i1b h PRO 23 CO 0.42 -0.78 -0.00 0.66 -0.21 0.00 0.00 178.00 178.09 6i1b n TYR 24 N -5.63 2.71 -3.79 0.65 4.01 -1.26 -4.97 117.16 108.87 6i1b n TYR 24 Ca -0.15 -2.44 -0.13 0.00 -0.16 0.00 0.00 57.90 55.02 6i1b n TYR 24 Cb 0.51 -0.82 -0.14 0.00 -0.31 0.00 0.00 39.34 38.58 6i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 6i1b s GLU 25 N -3.63 0.09 0.20 -0.72 2.02 -1.20 -4.43 118.70 111.03 6i1b s GLU 25 Ca 0.56 0.24 0.11 0.00 0.02 0.00 0.00 54.97 55.90 6i1b s GLU 25 Cb 0.45 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 6i1b s GLU 25 CO 0.02 -0.09 -0.20 -0.51 0.02 0.00 0.00 175.26 174.49 6i1b s LEU 26 N 0.61 2.58 -0.00 1.80 1.43 -1.26 -2.35 118.68 121.49 6i1b s LEU 26 Ca -0.05 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 6i1b s LEU 26 Cb -0.06 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 6i1b s LEU 26 CO -0.03 0.11 -0.05 -0.54 0.23 0.00 0.00 176.35 176.08 6i1b s LYS 27 N -2.79 0.37 -0.27 1.70 1.02 0.10 -2.09 119.74 117.78 6i1b s LYS 27 Ca 0.23 -0.19 -0.08 0.00 0.02 0.00 0.00 55.97 55.94 6i1b s LYS 27 Cb -0.08 -0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 36.87 6i1b s LYS 27 CO 0.12 0.09 0.10 0.00 -0.92 0.00 0.00 175.35 174.74 6i1b s ALA 28 N -0.18 3.23 0.32 5.17 0.00 -1.11 -0.13 121.76 129.06 6i1b s ALA 28 Ca 0.01 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 6i1b s ALA 28 Cb -0.02 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.91 6i1b s ALA 28 CO -0.00 -0.60 0.58 -0.48 0.00 0.00 0.00 175.76 175.25 6i1b s LEU 29 N 1.63 0.43 -0.42 0.00 0.05 -0.98 -3.97 118.68 115.42 6i1b s LEU 29 Ca 0.06 -1.15 -0.28 0.00 0.05 0.00 0.00 54.13 52.81 6i1b s LEU 29 Cb -0.16 2.02 0.00 0.00 -2.05 0.00 0.00 46.19 46.00 6i1b s LEU 29 CO 0.05 -1.35 1.55 -1.00 -0.55 0.00 0.00 176.35 175.05 6i1b s HIS 30 N -3.25 2.18 -0.17 3.48 3.76 -1.26 -2.49 115.29 117.54 6i1b s HIS 30 Ca 0.22 0.64 -0.04 0.00 -0.15 0.00 0.00 55.06 55.74 6i1b s HIS 30 Cb -0.02 -4.26 -0.02 0.00 1.11 0.00 0.00 32.58 29.38 6i1b s HIS 30 CO 0.13 -2.28 -0.04 -1.17 -0.85 0.00 0.00 174.74 170.53 6i1b s LEU 31 N 6.12 3.17 0.28 0.89 2.96 -1.26 -5.01 118.68 125.83 6i1b s LEU 31 Ca 0.66 -0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 54.18 6i1b s LEU 31 Cb -0.16 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.79 6i1b s LEU 31 CO 0.31 0.14 0.73 -1.58 -1.32 0.00 0.00 176.35 174.63 6i1b s GLN 32 N 0.55 1.78 0.93 1.98 0.74 -1.26 -4.91 119.66 119.46 6i1b s GLN 32 Ca -0.03 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.39 6i1b s GLN 32 Cb -0.14 0.60 0.00 0.00 1.10 0.00 0.00 33.01 34.57 6i1b s GLN 32 CO 0.03 -0.82 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 6i1b n GLY 33 N -0.46 -1.91 0.34 2.59 0.00 -1.26 -3.57 105.19 100.91 6i1b n GLY 33 Ca -0.04 -1.35 0.18 0.00 0.00 0.00 0.00 46.02 44.81 6i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 6i1b h GLN 34 N 0.00 0.00 0.00 1.61 3.07 -2.05 0.43 115.11 118.16 6i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 6i1b h GLN 34 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 6i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.45 6i1b n ASP 35 N -3.50 0.00 0.29 0.06 2.03 -1.23 -1.89 116.55 112.30 6i1b n ASP 35 Ca 0.00 0.23 0.17 0.00 0.52 0.00 0.00 54.79 55.71 6i1b n ASP 35 Cb 0.28 -0.25 0.95 0.00 -0.72 0.00 0.00 41.12 41.38 6i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 6i1b h MET 36 N 0.00 0.00 0.00 -0.67 4.05 -0.24 -0.50 114.93 117.56 6i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 6i1b h MET 36 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 6i1b h MET 36 CO 0.00 0.00 0.00 -0.85 0.23 0.00 0.00 176.91 176.29 6i1b n GLU 37 N -3.69 0.02 -0.31 0.39 0.28 -0.79 -1.71 120.64 114.83 6i1b n GLU 37 Ca -0.02 0.44 -0.00 0.00 -0.16 0.00 0.00 57.16 57.41 6i1b n GLU 37 Cb 0.13 -1.55 0.11 0.00 1.43 0.00 0.00 31.44 31.56 6i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 6i1b n GLN 38 N -1.58 2.02 -3.31 3.44 6.02 -0.20 -4.84 117.38 118.92 6i1b n GLN 38 Ca 0.01 -0.99 -0.38 0.00 -0.01 0.00 0.00 57.00 55.63 6i1b n GLN 38 Cb 0.06 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 29.61 6i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 6i1b s GLN 39 N -1.42 4.22 0.64 -1.09 -2.07 -0.69 -4.49 119.66 114.75 6i1b s GLN 39 Ca 0.17 0.58 -0.06 0.00 -1.82 0.00 0.00 55.36 54.24 6i1b s GLN 39 Cb 0.14 -3.32 0.04 0.00 -1.09 0.00 0.00 33.01 28.77 6i1b s GLN 39 CO 0.05 0.42 0.95 0.08 -1.32 0.00 0.00 175.29 175.47 6i1b s VAL 40 N -0.31 2.92 -0.12 3.63 1.01 -1.06 -5.00 120.40 121.48 6i1b s VAL 40 Ca 0.28 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 6i1b s VAL 40 Cb -0.17 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.05 6i1b s VAL 40 CO 0.15 -0.21 0.07 -0.69 0.00 0.00 0.00 175.10 174.42 6i1b s VAL 41 N -3.10 -0.07 0.12 2.92 1.01 -1.26 -4.73 120.40 115.28 6i1b s VAL 41 Ca 0.57 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 6i1b s VAL 41 Cb -0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 6i1b s VAL 41 CO 0.45 -0.08 0.37 -0.36 0.00 0.00 0.00 175.10 175.47 6i1b s PHE 42 N 2.14 3.50 -0.50 5.22 0.40 -0.71 -2.35 117.98 125.68 6i1b s PHE 42 Ca 0.03 0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 56.88 6i1b s PHE 42 Cb -0.14 -2.03 0.13 0.00 0.51 0.00 0.00 43.02 41.49 6i1b s PHE 42 CO -0.06 0.47 0.36 0.45 0.70 0.00 0.00 175.22 177.14 6i1b s SER 43 N -2.24 5.66 0.52 1.36 0.15 0.10 -0.97 113.70 118.29 6i1b s SER 43 Ca 0.38 -2.08 -0.20 0.00 0.70 0.00 0.00 55.95 54.75 6i1b s SER 43 Cb -0.13 -1.98 -0.07 0.00 -1.71 0.00 0.00 66.02 62.14 6i1b s SER 43 CO 0.23 -0.63 1.11 -0.32 1.20 0.00 0.00 173.24 174.82 6i1b s MET 44 N 1.11 3.49 -0.11 5.44 1.75 0.23 -2.53 119.30 128.68 6i1b s MET 44 Ca 0.08 1.57 -0.03 0.00 -1.25 0.00 0.00 55.69 56.06 6i1b s MET 44 Cb -0.24 -2.06 0.04 0.00 2.84 0.00 0.00 34.83 35.41 6i1b s MET 44 CO -0.02 -0.73 0.04 -1.12 -0.65 0.00 0.00 175.02 172.55 6i1b s SER 45 N -1.79 1.90 -0.44 1.11 0.01 -0.61 0.21 113.70 114.09 6i1b s SER 45 Ca 0.71 -0.30 -0.28 0.00 1.31 0.00 0.00 55.95 57.39 6i1b s SER 45 Cb -0.23 -0.35 -0.02 0.00 0.21 0.00 0.00 66.02 65.64 6i1b s SER 45 CO 0.26 -0.27 1.86 -0.36 0.41 0.00 0.00 173.24 175.14 6i1b s PHE 46 N 2.04 1.71 0.18 2.43 0.08 -1.18 -1.58 117.98 121.66 6i1b s PHE 46 Ca 0.03 0.75 0.03 0.00 0.12 0.00 0.00 56.93 57.86 6i1b s PHE 46 Cb -0.14 -4.08 0.03 0.00 -0.57 0.00 0.00 43.02 38.26 6i1b s PHE 46 CO -0.06 -2.69 0.25 1.33 -0.10 0.00 0.00 175.22 173.95 6i1b n VAL 47 N 7.38 0.00 -3.74 -0.44 0.24 -1.02 -4.60 118.33 116.15 6i1b n VAL 47 Ca 0.23 -0.60 -0.34 0.00 -2.04 0.00 0.00 64.34 61.59 6i1b n VAL 47 Cb 0.49 -0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 6i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 6i1b s GLN 48 N -2.81 3.60 0.00 7.34 0.74 0.13 -4.77 119.66 123.88 6i1b s GLN 48 Ca 0.19 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.52 6i1b s GLN 48 Cb -0.01 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.07 6i1b s GLN 48 CO 0.12 0.60 0.00 0.41 -0.55 0.00 0.00 175.29 175.87 6i1b n GLY 49 N 0.85 -0.64 3.57 2.59 0.00 -1.26 -4.64 105.19 105.65 6i1b n GLY 49 Ca -0.09 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 6i1b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 6i1b s GLU 50 N -0.58 2.21 0.03 1.61 2.02 -1.26 -4.91 118.70 117.83 6i1b s GLU 50 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 6i1b s GLU 50 Cb 0.00 -5.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.09 6i1b s GLU 50 CO 0.00 -4.05 1.25 -1.21 0.02 0.00 0.00 175.26 171.27 6i1b s GLU 51 N 7.24 4.38 0.00 1.61 2.02 -1.26 -4.74 118.70 127.96 6i1b s GLU 51 Ca 0.74 1.81 0.00 0.00 0.02 0.00 0.00 54.97 57.54 6i1b s GLU 51 Cb -0.05 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.77 6i1b s GLU 51 CO 0.08 -0.36 0.00 0.45 0.02 0.00 0.00 175.26 175.45 6i1b n SER 52 N 4.41 0.05 -0.01 -0.19 2.88 -1.09 -5.03 113.62 114.64 6i1b n SER 52 Ca 0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.53 6i1b n SER 52 Cb 0.45 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.77 6i1b n SER 52 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 6i1b n ASN 53 N 0.00 1.13 0.00 -3.46 2.85 -1.26 -4.59 115.26 109.93 6i1b n ASN 53 Ca 0.00 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 6i1b n ASN 53 Cb 0.00 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.79 6i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 6i1b n ASP 54 N -3.13 4.66 -4.62 1.20 8.00 -1.26 -4.98 116.55 116.42 6i1b n ASP 54 Ca -0.20 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.88 6i1b n ASP 54 Cb 1.05 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 42.51 6i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 6i1b s LYS 55 N -1.97 3.73 -0.47 -1.24 1.02 -1.26 -4.21 119.74 115.33 6i1b s LYS 55 Ca 0.00 1.30 0.04 0.00 0.02 0.00 0.00 55.97 57.33 6i1b s LYS 55 Cb 0.00 -4.00 0.12 0.00 -0.52 0.00 0.00 37.83 33.43 6i1b s LYS 55 CO 0.00 -1.37 0.21 0.42 -0.92 0.00 0.00 175.35 173.69 6i1b s ILE 56 N 5.17 2.45 0.07 2.17 1.01 -1.03 -2.66 121.20 128.37 6i1b s ILE 56 Ca 0.65 -3.05 -0.30 0.00 0.00 0.00 0.00 60.65 57.94 6i1b s ILE 56 Cb -0.19 -2.73 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 6i1b s ILE 56 CO 0.29 -0.76 1.92 -2.84 0.00 0.00 0.00 174.94 173.55 6i1b s PRO 57 N 0.02 4.14 0.01 2.79 0.02 -1.26 -2.46 135.00 138.26 6i1b s PRO 57 Ca 0.16 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.78 6i1b s PRO 57 Cb -0.24 -3.97 -0.00 0.00 0.02 0.00 0.00 34.50 30.31 6i1b s PRO 57 CO -0.02 -0.92 0.01 1.33 -0.33 0.00 0.00 177.00 177.07 6i1b n VAL 58 N 5.28 0.00 -3.69 3.83 0.24 -1.02 -2.45 118.33 120.51 6i1b n VAL 58 Ca 0.19 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.34 62.24 6i1b n VAL 58 Cb 0.40 0.04 -0.16 0.00 -1.47 0.00 0.00 33.84 32.65 6i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6i1b s ALA 59 N -2.04 -0.07 -0.42 2.33 0.00 -0.62 -1.95 121.76 118.99 6i1b s ALA 59 Ca 0.01 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 6i1b s ALA 59 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.49 6i1b s ALA 59 CO 0.01 -0.43 0.61 -0.51 0.00 0.00 0.00 175.76 175.44 6i1b s LEU 60 N 1.94 4.51 -0.12 0.00 1.43 -1.26 -1.58 118.68 123.60 6i1b s LEU 60 Ca 0.00 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 6i1b s LEU 60 Cb -0.12 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.44 6i1b s LEU 60 CO -0.05 -0.71 -0.14 -0.83 0.23 0.00 0.00 176.35 174.85 6i1b s GLY 61 N 1.94 1.02 0.02 -3.19 0.00 -1.05 -2.55 107.32 103.50 6i1b s GLY 61 Ca 0.21 -0.73 -0.37 0.00 0.00 0.00 0.00 44.72 43.83 6i1b s GLY 61 CO 0.17 0.37 1.44 1.04 0.00 0.00 0.00 173.10 176.13 6i1b n LEU 62 N 4.42 1.92 0.08 0.66 4.77 -0.88 0.00 117.00 127.97 6i1b n LEU 62 Ca -0.18 1.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.78 6i1b n LEU 62 Cb 0.51 -1.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 6i1b n LEU 62 CO 0.22 -0.86 0.83 0.50 -1.33 0.00 0.00 177.39 176.76 6i1b h LYS 63 N 5.23 -0.13 0.44 3.23 3.64 -1.76 -3.21 116.57 124.00 6i1b h LYS 63 Ca -0.47 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 6i1b h LYS 63 Cb 1.33 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 6i1b h LYS 63 CO 0.82 -0.09 -0.24 0.93 -2.27 0.00 0.00 179.45 178.61 6i1b h GLU 64 N -0.13 -0.60 -6.05 1.90 5.08 -1.88 -3.45 114.58 109.43 6i1b h GLU 64 Ca -0.00 0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.87 6i1b h GLU 64 Cb 0.12 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 6i1b h GLU 64 CO 0.00 -0.40 -0.44 0.15 -1.00 0.00 0.00 179.01 177.32 6i1b s LYS 65 N -6.09 2.40 -0.38 2.33 1.02 -1.21 -5.02 119.74 112.79 6i1b s LYS 65 Ca -0.16 -1.66 -0.01 0.00 0.02 0.00 0.00 55.97 54.16 6i1b s LYS 65 Cb 0.05 -2.20 0.26 0.00 -0.52 0.00 0.00 37.83 35.42 6i1b s LYS 65 CO 0.63 -0.13 2.01 0.27 -0.92 0.00 0.00 175.35 177.21 6i1b n ASN 66 N -1.39 6.60 -4.58 2.83 0.23 -1.26 -4.06 115.26 113.62 6i1b n ASN 66 Ca 0.01 -3.19 -0.40 0.00 -0.53 0.00 0.00 54.58 50.47 6i1b n ASN 66 Cb 0.63 -1.03 -0.08 0.00 -2.08 0.00 0.00 39.78 37.21 6i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 6i1b s LEU 67 N -2.18 4.20 -0.16 -4.53 1.43 -1.26 -2.58 118.68 113.60 6i1b s LEU 67 Ca 0.37 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.59 6i1b s LEU 67 Cb 0.29 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 6i1b s LEU 67 CO -0.00 -0.34 0.03 -0.31 0.23 0.00 0.00 176.35 175.95 6i1b s TYR 68 N 2.26 3.19 0.53 0.29 1.51 -0.82 -2.08 117.35 122.23 6i1b s TYR 68 Ca 0.18 -0.01 -0.22 0.00 -1.01 0.00 0.00 57.07 56.01 6i1b s TYR 68 Cb -0.16 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 6i1b s TYR 68 CO 0.11 0.15 1.37 -0.51 -1.11 0.00 0.00 175.55 175.57 6i1b s LEU 69 N 0.18 3.90 -0.11 -1.29 1.02 -1.06 -2.17 118.68 119.16 6i1b s LEU 69 Ca 0.02 2.80 -0.12 0.00 0.02 0.00 0.00 54.13 56.86 6i1b s LEU 69 Cb -0.13 -4.21 0.03 0.00 0.02 0.00 0.00 46.19 41.90 6i1b s LEU 69 CO 0.01 -1.51 0.33 -0.94 0.02 0.00 0.00 176.35 174.26 6i1b s SER 70 N -0.86 -0.32 -0.34 2.29 1.04 0.49 -4.39 113.70 111.61 6i1b s SER 70 Ca 0.70 0.57 -0.16 0.00 0.48 0.00 0.00 55.95 57.53 6i1b s SER 70 Cb -0.41 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 6i1b s SER 70 CO 0.50 -0.17 0.41 0.00 0.98 0.00 0.00 173.24 174.95 6i1b s VAL 72 N 2.12 1.35 0.18 0.00 -7.23 -0.99 -4.75 120.40 111.08 6i1b s VAL 72 Ca 0.14 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.37 6i1b s VAL 72 Cb -0.16 -1.47 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 6i1b s VAL 72 CO 0.12 -0.35 0.91 -0.76 -0.31 0.00 0.00 175.10 174.70 6i1b s LEU 73 N -2.31 4.59 -0.60 1.32 1.43 -1.26 -1.68 118.68 120.17 6i1b s LEU 73 Ca 0.07 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 6i1b s LEU 73 Cb -0.06 -3.53 0.17 0.00 0.03 0.00 0.00 46.19 42.80 6i1b s LEU 73 CO 0.03 0.10 0.43 -0.54 0.23 0.00 0.00 176.35 176.60 6i1b s LYS 74 N -0.77 1.94 0.00 1.70 1.02 0.32 -4.73 119.74 119.21 6i1b s LYS 74 Ca 0.42 -2.90 0.00 0.00 0.02 0.00 0.00 55.97 53.51 6i1b s LYS 74 Cb -0.24 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 6i1b s LYS 74 CO 0.30 -1.30 0.00 -0.25 -0.92 0.00 0.00 175.35 173.18 6i1b n ASP 75 N 2.35 -1.48 0.00 2.83 8.00 -1.26 -3.73 116.55 123.26 6i1b n ASP 75 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 6i1b n ASP 75 Cb 0.38 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 6i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 6i1b n ASP 76 N 0.09 -4.17 -4.13 -2.24 8.00 -1.26 -4.98 116.55 107.86 6i1b n ASP 76 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 6i1b n ASP 76 Cb 0.37 -2.06 -0.16 0.00 -0.02 0.00 0.00 41.12 39.25 6i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 6i1b s LYS 77 N -1.04 2.91 0.50 -1.24 2.20 -1.24 -5.08 119.74 116.76 6i1b s LYS 77 Ca 0.00 -0.89 -0.22 0.00 -0.36 0.00 0.00 55.97 54.49 6i1b s LYS 77 Cb 0.00 -2.67 -0.07 0.00 -1.51 0.00 0.00 37.83 33.58 6i1b s LYS 77 CO 0.00 -0.27 1.16 -2.30 -0.36 0.00 0.00 175.35 173.59 6i1b n PRO 78 N 4.61 1.48 -3.77 4.03 -0.02 -1.26 -0.52 135.00 139.54 6i1b n PRO 78 Ca -0.20 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 6i1b n PRO 78 Cb 0.49 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 6i1b n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 6i1b s THR 79 N -1.32 0.02 -0.14 3.45 2.01 -0.67 -4.74 115.64 114.25 6i1b s THR 79 Ca 0.68 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 6i1b s THR 79 Cb -0.47 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 6i1b s THR 79 CO 0.52 -0.10 0.08 -0.22 -0.69 0.00 0.00 174.62 174.21 6i1b s LEU 80 N -2.89 3.99 0.03 4.42 2.96 -1.26 -2.35 118.68 123.59 6i1b s LEU 80 Ca 0.11 0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 54.04 6i1b s LEU 80 Cb -0.01 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.75 6i1b s LEU 80 CO -0.01 0.31 0.52 -1.58 -1.32 0.00 0.00 176.35 174.28 6i1b s GLN 81 N -0.46 1.01 0.03 1.98 0.74 -0.79 -4.81 119.66 117.37 6i1b s GLN 81 Ca 0.10 -0.18 -0.14 0.00 0.05 0.00 0.00 55.36 55.19 6i1b s GLN 81 Cb -0.12 0.46 -0.06 0.00 1.10 0.00 0.00 33.01 34.40 6i1b s GLN 81 CO 0.02 -0.36 0.43 -0.51 -0.55 0.00 0.00 175.29 174.32 6i1b s LEU 82 N -1.85 4.45 -0.03 3.68 1.43 -1.26 -0.38 118.68 124.72 6i1b s LEU 82 Ca -0.06 0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 6i1b s LEU 82 Cb -0.01 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.52 6i1b s LEU 82 CO -0.00 0.28 0.02 -0.70 0.23 0.00 0.00 176.35 176.18 6i1b s GLU 83 N -1.28 0.15 -0.15 1.70 2.12 -0.92 -4.93 118.70 115.39 6i1b s GLU 83 Ca 0.27 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 6i1b s GLU 83 Cb -0.16 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.77 6i1b s GLU 83 CO 0.15 -0.18 1.47 0.45 -0.54 0.00 0.00 175.26 176.60 6i1b s SER 84 N 1.23 6.71 0.09 -1.70 0.15 -1.26 -1.95 113.70 116.98 6i1b s SER 84 Ca -0.07 1.80 0.00 0.00 0.70 0.00 0.00 55.95 58.39 6i1b s SER 84 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 6i1b s SER 84 CO -0.02 -0.95 0.00 1.33 1.20 0.00 0.00 173.24 174.80 6i1b n VAL 85 N 5.70 0.00 -2.87 4.45 0.24 -1.07 -4.98 118.33 119.81 6i1b n VAL 85 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 6i1b n VAL 85 Cb 0.44 -1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 31.59 6i1b n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 6i1b s ASP 86 N -1.00 6.67 0.00 -1.34 -1.08 -1.26 -4.89 116.67 113.77 6i1b s ASP 86 Ca 0.00 0.61 0.08 0.00 -0.52 0.00 0.00 52.55 52.72 6i1b s ASP 86 Cb 0.00 -2.44 0.38 0.00 -1.46 0.00 0.00 42.92 39.41 6i1b s ASP 86 CO 0.00 -0.74 1.17 -0.81 0.52 0.00 0.00 175.17 175.31 6i1b n PRO 87 N 6.50 0.08 -0.11 4.34 -0.04 -1.26 -1.31 135.00 143.19 6i1b n PRO 87 Ca 0.05 0.26 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 6i1b n PRO 87 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 6i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 6i1b n LYS 88 N -1.36 0.63 0.10 0.54 5.02 -1.26 -4.51 118.16 117.32 6i1b n LYS 88 Ca 0.03 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.60 6i1b n LYS 88 Cb 0.07 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 6i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 6i1b h ASN 89 N -0.47 0.00 -3.34 4.39 2.35 -1.94 -3.46 115.58 113.11 6i1b h ASN 89 Ca -0.58 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 54.52 6i1b h ASN 89 Cb 1.75 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 40.00 6i1b h ASN 89 CO -0.20 0.49 -0.66 -0.31 -1.65 0.00 0.00 177.43 175.10 6i1b s TYR 90 N -2.97 3.01 0.55 1.19 2.02 -0.43 -3.87 117.35 116.84 6i1b s TYR 90 Ca 0.01 -0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.53 6i1b s TYR 90 Cb 0.08 -1.55 -0.06 0.00 -0.40 0.00 0.00 41.96 40.03 6i1b s TYR 90 CO 0.77 0.48 1.05 -1.25 -1.57 0.00 0.00 175.55 175.03 6i1b s PRO 91 N -2.25 3.54 0.12 -1.71 0.04 -1.26 -4.62 135.00 128.86 6i1b s PRO 91 Ca 0.25 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.57 6i1b s PRO 91 Cb -0.12 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 6i1b s PRO 91 CO 0.18 -0.63 -0.04 0.21 0.04 0.00 0.00 177.00 176.75 6i1b s LYS 92 N -3.73 0.91 0.54 4.56 2.20 -1.25 -4.89 119.74 118.08 6i1b s LYS 92 Ca 0.65 -1.39 0.32 0.00 -0.36 0.00 0.00 55.97 55.18 6i1b s LYS 92 Cb -0.16 -0.20 1.44 0.00 -1.51 0.00 0.00 37.83 37.41 6i1b s LYS 92 CO 0.30 -0.06 2.03 1.57 -0.36 0.00 0.00 175.35 178.82 6i1b h LYS 93 N 2.89 0.00 -6.36 4.03 2.10 -1.92 -3.42 116.57 113.89 6i1b h LYS 93 Ca -0.36 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.60 6i1b h LYS 93 Cb 1.18 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.28 6i1b h LYS 93 CO 0.64 0.08 -0.78 0.21 -2.00 0.00 0.00 179.45 177.60 6i1b s LYS 94 N -3.87 2.44 -0.00 0.07 2.20 -1.26 0.20 119.74 119.52 6i1b s LYS 94 Ca -0.01 -0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 54.79 6i1b s LYS 94 Cb 0.11 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 6i1b s LYS 94 CO 0.56 0.61 0.13 -1.64 -0.36 0.00 0.00 175.35 174.65 6i1b s MET 95 N -0.84 0.45 0.65 4.03 -1.94 -1.26 -4.99 119.30 115.40 6i1b s MET 95 Ca 0.12 -0.34 -0.15 0.00 -1.71 0.00 0.00 55.69 53.61 6i1b s MET 95 Cb -0.11 0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 6i1b s MET 95 CO 0.01 -0.10 1.11 -1.21 -0.01 0.00 0.00 175.02 174.82 6i1b s GLU 96 N -1.23 2.85 0.30 2.03 2.02 -1.26 -4.73 118.70 118.68 6i1b s GLU 96 Ca -0.13 1.40 0.06 0.00 0.02 0.00 0.00 54.97 56.31 6i1b s GLU 96 Cb -0.07 -1.96 0.77 0.00 0.10 0.00 0.00 34.13 32.97 6i1b s GLU 96 CO 0.01 -1.21 1.72 0.87 0.02 0.00 0.00 175.26 176.68 6i1b h LYS 97 N 0.11 0.52 -0.86 1.61 1.79 -1.91 0.11 116.57 117.93 6i1b h LYS 97 Ca -0.47 -0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.16 6i1b h LYS 97 Cb 1.25 -0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 31.67 6i1b h LYS 97 CO 0.54 0.34 0.39 0.00 -1.08 0.00 0.00 179.45 179.65 6i1b h ARG 98 N 0.53 0.46 0.00 3.15 3.08 -1.90 0.97 114.38 120.67 6i1b h ARG 98 Ca 0.58 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.61 6i1b h ARG 98 Cb 1.06 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.01 6i1b h ARG 98 CO -0.47 0.31 -0.60 1.19 -1.07 0.00 0.00 179.97 179.32 6i1b n PHE 99 N -4.99 0.02 -3.11 3.04 3.72 0.24 -2.78 117.46 113.61 6i1b n PHE 99 Ca 0.19 0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 57.20 6i1b n PHE 99 Cb 0.55 -0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.81 6i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 6i1b s VAL 100 N -3.01 5.02 -0.19 -4.37 1.01 0.33 -4.34 120.40 114.86 6i1b s VAL 100 Ca 0.10 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.31 6i1b s VAL 100 Cb 0.17 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.62 6i1b s VAL 100 CO 0.73 0.12 -0.17 -0.36 0.00 0.00 0.00 175.10 175.42 6i1b s PHE 101 N 1.80 2.77 -0.53 5.22 0.40 -0.82 -2.18 117.98 124.63 6i1b s PHE 101 Ca 0.30 -1.71 -0.28 0.00 -0.60 0.00 0.00 56.93 54.64 6i1b s PHE 101 Cb -0.16 -1.87 -0.00 0.00 0.51 0.00 0.00 43.02 41.50 6i1b s PHE 101 CO 0.11 -0.80 1.65 -0.80 0.70 0.00 0.00 175.22 176.07 6i1b s ASN 102 N 1.29 5.79 -0.49 1.36 0.02 -0.95 -2.44 114.94 119.51 6i1b s ASN 102 Ca 0.02 0.53 -0.29 0.00 -1.02 0.00 0.00 52.86 52.10 6i1b s ASN 102 Cb -0.14 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.61 6i1b s ASN 102 CO -0.11 -1.93 1.28 -0.75 0.02 0.00 0.00 177.10 175.61 6i1b s LYS 103 N 6.05 3.56 0.17 -0.60 2.20 -1.03 -2.63 119.74 127.46 6i1b s LYS 103 Ca 0.63 0.59 0.05 0.00 -0.36 0.00 0.00 55.97 56.89 6i1b s LYS 103 Cb -0.14 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 6i1b s LYS 103 CO 0.25 -1.59 0.15 0.42 -0.36 0.00 0.00 175.35 174.22 6i1b s ILE 104 N 5.13 4.54 -0.16 5.43 1.01 -0.05 -2.46 121.20 134.65 6i1b s ILE 104 Ca 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.09 6i1b s ILE 104 Cb -0.10 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 6i1b s ILE 104 CO 0.30 -0.13 -0.15 -1.61 0.00 0.00 0.00 174.94 173.35 6i1b s GLU 105 N -3.17 3.22 -0.18 2.79 2.02 -1.26 -0.81 118.70 121.31 6i1b s GLU 105 Ca 0.31 -0.74 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 6i1b s GLU 105 Cb -0.10 -2.64 0.07 0.00 0.10 0.00 0.00 34.13 31.56 6i1b s GLU 105 CO 0.24 0.01 0.12 0.42 0.02 0.00 0.00 175.26 176.07 6i1b s ILE 106 N 0.83 -0.14 -1.08 -1.63 1.01 0.18 -4.88 121.20 115.49 6i1b s ILE 106 Ca -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 6i1b s ILE 106 Cb -0.15 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 6i1b s ILE 106 CO -0.00 -0.28 0.90 -3.20 0.00 0.00 0.00 174.94 172.36 6i1b n ASN 107 N 5.29 -2.39 -1.21 3.58 5.15 -1.26 -1.97 115.26 122.45 6i1b n ASN 107 Ca -0.07 -0.57 -0.16 0.00 -0.60 0.00 0.00 54.58 53.19 6i1b n ASN 107 Cb 0.49 -4.71 -0.07 0.00 -0.53 0.00 0.00 39.78 34.96 6i1b n ASN 107 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 6i1b n ASN 108 N -2.94 -5.45 -4.47 1.20 4.13 -1.26 -4.96 115.26 101.51 6i1b n ASN 108 Ca -0.25 0.39 -0.23 0.00 1.68 0.00 0.00 54.58 56.17 6i1b n ASN 108 Cb 0.65 -4.34 -0.10 0.00 -1.54 0.00 0.00 39.78 34.45 6i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 6i1b s LYS 109 N -3.31 1.65 0.14 3.52 1.02 -0.83 -5.02 119.74 116.91 6i1b s LYS 109 Ca 0.00 -1.78 0.05 0.00 0.02 0.00 0.00 55.97 54.26 6i1b s LYS 109 Cb 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 6i1b s LYS 109 CO 0.00 0.26 0.08 -0.51 -0.92 0.00 0.00 175.35 174.26 6i1b s LEU 110 N -3.50 3.66 -0.11 3.17 1.43 -0.61 -0.65 118.68 122.07 6i1b s LEU 110 Ca 0.29 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 6i1b s LEU 110 Cb -0.03 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.94 6i1b s LEU 110 CO 0.14 0.11 0.16 -1.61 0.23 0.00 0.00 176.35 175.38 6i1b s GLU 111 N -2.80 0.06 -0.37 1.70 2.02 0.01 -0.89 118.70 118.43 6i1b s GLU 111 Ca 0.29 0.44 -0.15 0.00 0.02 0.00 0.00 54.97 55.57 6i1b s GLU 111 Cb -0.11 -0.57 -0.00 0.00 0.10 0.00 0.00 34.13 33.55 6i1b s GLU 111 CO 0.21 -0.40 0.34 -0.06 0.02 0.00 0.00 175.26 175.37 6i1b s PHE 112 N 2.28 3.21 -0.15 1.61 0.08 -1.26 -0.87 117.98 122.88 6i1b s PHE 112 Ca 0.04 -0.22 -0.08 0.00 0.12 0.00 0.00 56.93 56.78 6i1b s PHE 112 Cb -0.13 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 6i1b s PHE 112 CO -0.07 -0.49 0.13 -2.00 -0.10 0.00 0.00 175.22 172.69 6i1b s GLU 113 N 1.92 3.74 -0.40 0.44 2.12 -1.08 -2.25 118.70 123.18 6i1b s GLU 113 Ca 0.09 -0.18 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 6i1b s GLU 113 Cb -0.17 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 6i1b s GLU 113 CO 0.11 0.57 2.06 0.45 -0.54 0.00 0.00 175.26 177.91 6i1b s SER 114 N -0.43 5.30 0.61 -1.70 0.15 -0.16 -2.25 113.70 115.22 6i1b s SER 114 Ca 0.12 1.18 0.17 0.00 0.70 0.00 0.00 55.95 58.12 6i1b s SER 114 Cb -0.12 -2.52 0.94 0.00 -1.71 0.00 0.00 66.02 62.62 6i1b s SER 114 CO 0.01 -2.20 1.51 0.00 1.20 0.00 0.00 173.24 173.76 6i1b h ALA 115 N 15.48 1.53 0.00 5.45 0.00 -1.59 0.20 119.26 140.33 6i1b h ALA 115 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 6i1b h ALA 115 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 6i1b h ALA 115 CO 1.09 -0.53 -0.75 0.37 0.00 0.00 0.00 179.25 179.42 6i1b h GLN 116 N 0.00 0.00 -3.52 0.00 4.15 -1.81 -3.42 115.11 110.50 6i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 6i1b h GLN 116 Cb 1.11 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.44 6i1b h GLN 116 CO 0.00 0.98 -0.37 -0.06 -1.93 0.00 0.00 178.83 177.46 6i1b s PHE 117 N -2.30 3.41 0.70 3.99 0.08 0.05 -5.09 117.98 118.83 6i1b s PHE 117 Ca -0.25 -2.79 -0.16 0.00 0.12 0.00 0.00 56.93 53.85 6i1b s PHE 117 Cb 0.02 -3.17 0.01 0.00 -0.57 0.00 0.00 43.02 39.32 6i1b s PHE 117 CO 0.62 -0.82 1.12 -2.30 -0.10 0.00 0.00 175.22 173.74 6i1b n PRO 118 N 3.33 0.68 -0.02 0.24 -0.02 -1.20 -2.19 135.00 135.83 6i1b n PRO 118 Ca 0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 6i1b n PRO 118 Cb 0.37 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 6i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 6i1b n ASN 119 N -1.97 0.00 -4.34 2.55 4.13 -1.26 -4.99 115.26 109.38 6i1b n ASN 119 Ca 0.14 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.04 6i1b n ASN 119 Cb 0.49 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.60 6i1b n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 6i1b s TRP 120 N -2.82 3.07 0.50 3.10 0.52 -0.93 -4.63 118.94 117.76 6i1b s TRP 120 Ca 0.00 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.23 6i1b s TRP 120 Cb 0.00 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 6i1b s TRP 120 CO 0.00 -0.54 0.08 0.71 0.02 0.00 0.00 176.95 177.22 6i1b s TYR 121 N 1.50 1.91 -0.13 -1.98 1.51 -0.91 -0.99 117.35 118.25 6i1b s TYR 121 Ca 0.04 -0.90 -0.28 0.00 -1.01 0.00 0.00 57.07 54.93 6i1b s TYR 121 Cb -0.16 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 6i1b s TYR 121 CO 0.00 0.12 0.93 0.42 -1.11 0.00 0.00 175.55 175.91 6i1b s ILE 122 N -2.83 4.83 0.15 2.71 1.01 -0.95 -1.74 121.20 124.37 6i1b s ILE 122 Ca 0.15 1.86 0.05 0.00 0.00 0.00 0.00 60.65 62.71 6i1b s ILE 122 Cb 0.02 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 6i1b s ILE 122 CO 0.08 0.01 -0.11 -0.44 0.00 0.00 0.00 174.94 174.49 6i1b s SER 123 N 1.11 1.91 0.21 3.58 0.01 -0.57 -4.47 113.70 115.48 6i1b s SER 123 Ca 0.44 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.74 6i1b s SER 123 Cb -0.17 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 6i1b s SER 123 CO 0.15 -0.30 -0.07 0.42 0.41 0.00 0.00 173.24 173.85 6i1b s THR 124 N -3.23 1.30 -0.25 1.44 -4.23 -0.74 -2.67 115.64 107.26 6i1b s THR 124 Ca 0.17 -2.09 -0.12 0.00 -1.18 0.00 0.00 61.69 58.48 6i1b s THR 124 Cb 0.02 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 6i1b s THR 124 CO 0.02 -0.50 0.22 -0.55 -0.54 0.00 0.00 174.62 173.26 6i1b s SER 125 N -3.29 6.14 0.55 3.99 0.15 -1.26 -2.65 113.70 117.33 6i1b s SER 125 Ca 0.24 0.14 0.37 0.00 0.70 0.00 0.00 55.95 57.40 6i1b s SER 125 Cb 0.03 -2.13 1.54 0.00 -1.71 0.00 0.00 66.02 63.75 6i1b s SER 125 CO 0.06 -0.01 1.78 -0.61 1.20 0.00 0.00 173.24 175.67 6i1b h GLN 126 N 7.81 0.00 -6.52 5.44 4.15 -1.98 -3.41 115.11 120.60 6i1b h GLN 126 Ca -0.36 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.53 6i1b h GLN 126 Cb 1.17 0.00 0.23 0.00 0.21 0.00 0.00 27.48 29.09 6i1b h GLN 126 CO 0.63 0.00 -1.11 0.00 -1.93 0.00 0.00 178.83 176.42 6i1b n ALA 127 N -2.74 -3.77 -2.31 3.38 0.00 -1.26 -4.93 120.51 108.89 6i1b n ALA 127 Ca 0.25 -0.77 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 6i1b n ALA 127 Cb 1.27 -1.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 6i1b n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 6i1b s GLU 128 N -3.09 4.04 -0.49 0.00 2.02 -1.26 -4.52 118.70 115.41 6i1b s GLU 128 Ca 0.51 0.58 -0.22 0.00 0.02 0.00 0.00 54.97 55.86 6i1b s GLU 128 Cb -0.17 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.15 6i1b s GLU 128 CO 0.71 0.47 0.63 0.09 0.02 0.00 0.00 175.26 177.19 6i1b n ASN 129 N 0.85 -6.90 -3.78 -0.19 4.13 -1.25 -5.03 115.26 103.08 6i1b n ASN 129 Ca -0.05 0.15 -0.14 0.00 1.68 0.00 0.00 54.58 56.23 6i1b n ASN 129 Cb 0.52 -3.86 -0.15 0.00 -1.54 0.00 0.00 39.78 34.75 6i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 6i1b s MET 130 N -2.73 0.04 0.48 3.52 1.75 -1.26 -5.02 119.30 116.09 6i1b s MET 130 Ca 0.26 0.23 -0.24 0.00 -1.25 0.00 0.00 55.69 54.69 6i1b s MET 130 Cb -0.05 -0.15 -0.07 0.00 2.84 0.00 0.00 34.83 37.40 6i1b s MET 130 CO 0.81 -0.13 1.40 -1.25 -0.65 0.00 0.00 175.02 175.20 6i1b s PRO 131 N 0.83 3.53 0.48 4.11 0.04 -1.26 -2.75 135.00 139.98 6i1b s PRO 131 Ca -0.07 2.34 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 6i1b s PRO 131 Cb -0.09 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 6i1b s PRO 131 CO -0.03 -0.92 1.07 0.08 0.04 0.00 0.00 177.00 177.24 6i1b s VAL 132 N -1.24 3.59 0.33 -0.36 1.01 -0.89 -4.75 120.40 118.09 6i1b s VAL 132 Ca 0.64 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.53 6i1b s VAL 132 Cb -0.42 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.54 6i1b s VAL 132 CO 0.53 -0.17 0.62 0.72 0.00 0.00 0.00 175.10 176.80 6i1b s PHE 133 N -1.86 0.37 -0.18 5.22 -0.71 -1.09 -4.83 117.98 114.91 6i1b s PHE 133 Ca 0.67 -0.83 -0.13 0.00 -1.04 0.00 0.00 56.93 55.60 6i1b s PHE 133 Cb -0.20 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 6i1b s PHE 133 CO 0.24 -1.27 0.28 -1.17 -1.34 0.00 0.00 175.22 171.95 6i1b s LEU 134 N -3.08 4.21 0.08 -1.99 2.96 -1.26 -1.50 118.68 118.09 6i1b s LEU 134 Ca 0.20 0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 6i1b s LEU 134 Cb -0.03 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 6i1b s LEU 134 CO 0.12 0.07 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.27 6i1b s GLY 135 N 0.65 0.81 -0.69 7.98 0.00 -0.71 -4.66 107.32 110.70 6i1b s GLY 135 Ca 0.15 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.84 6i1b s GLY 135 CO 0.04 -1.09 1.67 0.61 0.00 0.00 0.00 173.10 174.33 6i1b n GLY 136 N 1.02 5.71 2.72 0.20 0.00 -1.26 -2.14 105.19 111.43 6i1b n GLY 136 Ca -0.19 -2.59 -0.30 0.00 0.00 0.00 0.00 46.02 42.94 6i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 6i1b s THR 137 N -5.25 0.92 -0.04 2.61 2.01 -1.26 -5.01 115.64 109.61 6i1b s THR 137 Ca 0.51 -1.59 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 6i1b s THR 137 Cb 0.42 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.19 6i1b s THR 137 CO -0.33 -0.73 1.61 -0.75 -0.69 0.00 0.00 174.62 173.74 6i1b s LYS 138 N 1.40 4.20 5.78 4.92 2.20 -1.26 -4.70 119.74 132.27 6i1b s LYS 138 Ca 0.11 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 6i1b s LYS 138 Cb -0.19 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 6i1b s LYS 138 CO -0.20 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.40 6i1b n GLY 139 N 4.04 3.68 7.00 5.54 0.00 -1.26 -4.82 105.19 119.37 6i1b n GLY 139 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.40 6i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6i1b n GLY 140 N 0.00 3.96 0.06 -0.02 0.00 -1.26 -2.21 105.19 105.72 6i1b n GLY 140 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 6i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 6i1b n GLN 141 N 12.31 1.07 -2.96 1.61 0.00 -1.26 -4.96 117.38 123.20 6i1b n GLN 141 Ca 0.00 -0.06 -0.37 0.00 -0.00 0.00 0.00 57.00 56.58 6i1b n GLN 141 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 30.24 28.76 6i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 6i1b s ASP 142 N -4.72 7.21 -0.61 1.69 1.11 -0.94 -4.74 116.67 115.67 6i1b s ASP 142 Ca -0.08 1.61 -0.21 0.00 0.18 0.00 0.00 52.55 54.05 6i1b s ASP 142 Cb 0.07 -2.49 0.07 0.00 1.07 0.00 0.00 42.92 41.64 6i1b s ASP 142 CO 0.69 0.02 0.85 -0.63 1.18 0.00 0.00 175.17 177.28 6i1b s ILE 143 N -1.51 4.53 -0.13 0.77 1.01 -1.08 -4.17 121.20 120.62 6i1b s ILE 143 Ca 0.45 -0.46 0.18 0.00 0.00 0.00 0.00 60.65 60.82 6i1b s ILE 143 Cb -0.18 -4.57 -0.20 0.00 0.01 0.00 0.00 42.46 37.52 6i1b s ILE 143 CO 0.23 -1.24 0.58 0.35 0.00 0.00 0.00 174.94 174.85 6i1b n THR 144 N 5.82 0.99 -1.15 2.92 -2.24 -1.26 -1.79 114.28 117.57 6i1b n THR 144 Ca -0.05 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 6i1b n THR 144 Cb 0.45 -0.52 0.16 0.00 -2.10 0.00 0.00 70.33 68.33 6i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 6i1b s ASP 145 N -5.45 2.89 0.29 3.42 1.47 -1.26 -4.62 116.67 113.40 6i1b s ASP 145 Ca -0.06 1.34 -0.07 0.00 1.18 0.00 0.00 52.55 54.94 6i1b s ASP 145 Cb 0.09 -2.01 0.03 0.00 -0.34 0.00 0.00 42.92 40.69 6i1b s ASP 145 CO 0.83 -2.99 0.52 0.49 0.68 0.00 0.00 175.17 174.70 6i1b n PHE 146 N -4.10 -1.73 -3.53 2.11 3.72 -0.07 -4.34 117.46 109.53 6i1b n PHE 146 Ca 0.06 -1.58 -0.10 0.00 -0.05 0.00 0.00 57.45 55.78 6i1b n PHE 146 Cb 0.56 0.60 -0.10 0.00 -0.94 0.00 0.00 39.48 39.61 6i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 6i1b s THR 147 N -2.48 -0.58 0.31 4.37 -4.23 0.10 -1.57 115.64 111.56 6i1b s THR 147 Ca 0.16 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 6i1b s THR 147 Cb -0.03 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 6i1b s THR 147 CO 0.12 -0.01 0.57 -0.32 -0.54 0.00 0.00 174.62 174.43 6i1b s MET 148 N 2.54 3.61 -0.08 3.99 1.75 -1.26 -1.23 119.30 128.62 6i1b s MET 148 Ca 0.05 -0.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.43 6i1b s MET 148 Cb -0.14 -2.63 0.05 0.00 2.84 0.00 0.00 34.83 34.95 6i1b s MET 148 CO -0.13 0.18 0.16 -0.65 -0.65 0.00 0.00 175.02 173.93 6i1b s GLN 149 N -3.71 0.03 0.41 4.11 -0.21 -1.02 -4.97 119.66 114.29 6i1b s GLN 149 Ca 0.44 0.56 -0.27 0.00 0.02 0.00 0.00 55.36 56.10 6i1b s GLN 149 Cb -0.11 -0.28 -0.10 0.00 1.00 0.00 0.00 33.01 33.53 6i1b s GLN 149 CO 0.31 -0.31 1.46 -0.06 -2.12 0.00 0.00 175.29 174.58 6i1b s PHE 150 N 2.28 2.52 0.26 0.91 0.40 -1.26 -2.43 117.98 120.66 6i1b s PHE 150 Ca 0.03 1.20 0.11 0.00 -0.60 0.00 0.00 56.93 57.68 6i1b s PHE 150 Cb -0.12 -3.99 -0.05 0.00 0.51 0.00 0.00 43.02 39.38 6i1b s PHE 150 CO -0.06 -2.99 -0.17 0.14 0.70 0.00 0.00 175.22 172.84 6i1b s VAL 151 N -1.15 2.64 0.48 -0.44 -7.23 -1.16 -4.91 120.40 108.63 6i1b s VAL 151 Ca 0.56 -2.25 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 6i1b s VAL 151 Cb -0.45 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 6i1b s VAL 151 CO 0.60 -0.35 0.07 -0.55 -0.31 0.00 0.00 175.10 174.56 6i1b s SER 152 N -3.39 4.16 0.00 4.85 0.15 -1.26 -4.83 113.70 113.38 6i1b s SER 152 Ca 0.29 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.45 6i1b s SER 152 Cb -0.06 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 6i1b s SER 152 CO 0.15 -0.76 0.00 -1.20 1.20 0.00 0.00 173.24 172.63