#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mal s GLU 36 N 0.00 4.74 -0.24 1.45 2.02 -1.26 -0.90 118.70 124.51 3mal s GLU 36 Ca 0.00 1.60 -0.15 0.00 0.02 0.00 0.00 54.97 56.44 3mal s GLU 36 Cb 0.00 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3mal s GLU 36 CO 0.00 0.34 0.37 0.42 0.02 0.00 0.00 175.26 176.41 3mal s ILE 37 N -0.89 5.20 0.17 -1.63 1.01 0.23 -4.90 121.20 120.39 3mal s ILE 37 Ca 0.44 0.60 0.07 0.00 0.00 0.00 0.00 60.65 61.76 3mal s ILE 37 Cb -0.28 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3mal s ILE 37 CO 0.34 0.21 0.03 0.42 0.00 0.00 0.00 174.94 175.94 3mal s THR 38 N 1.66 3.88 0.37 2.92 -4.23 -1.26 -1.40 115.64 117.58 3mal s THR 38 Ca 0.16 -1.34 -0.28 0.00 -1.18 0.00 0.00 61.69 59.06 3mal s THR 38 Cb -0.15 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.62 3mal s THR 38 CO 0.09 -0.10 1.36 -1.22 -0.54 0.00 0.00 174.62 174.21 3mal n TYR 39 N -0.13 2.52 0.00 3.99 4.02 -0.42 -2.28 117.16 124.86 3mal n TYR 39 Ca -0.09 0.51 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 3mal n TYR 39 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 39.34 37.42 3mal n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mal n GLY 40 N 0.66 1.36 3.78 2.72 0.00 0.43 -0.99 105.19 113.15 3mal n GLY 40 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3mal n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mal s SER 41 N -1.88 5.95 -0.19 1.61 0.01 -0.97 -4.78 113.70 113.45 3mal s SER 41 Ca 0.00 2.19 -0.09 0.00 1.31 0.00 0.00 55.95 59.36 3mal s SER 41 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3mal s SER 41 CO 0.00 -1.06 0.10 0.00 0.41 0.00 0.00 173.24 172.68 3mal s ALA 42 N -1.72 3.55 0.09 1.44 0.00 -0.40 -1.65 121.76 123.08 3mal s ALA 42 Ca 0.69 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3mal s ALA 42 Cb -0.25 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3mal s ALA 42 CO 0.29 0.16 -0.09 0.96 0.00 0.00 0.00 175.76 177.07 3mal s ILE 43 N 0.39 0.86 -0.06 0.00 -4.36 0.48 0.17 121.20 118.68 3mal s ILE 43 Ca 0.06 -1.66 -0.03 0.00 -0.26 0.00 0.00 60.65 58.75 3mal s ILE 43 Cb -0.12 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 3mal s ILE 43 CO -0.01 -0.61 0.10 -0.54 0.24 0.00 0.00 174.94 174.11 3mal s LYS 44 N -2.92 3.22 -0.28 0.37 1.02 -0.62 -0.92 119.74 119.60 3mal s LYS 44 Ca 0.06 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 3mal s LYS 44 Cb -0.02 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 3mal s LYS 44 CO -0.01 0.71 0.00 -1.17 -0.92 0.00 0.00 175.35 173.96 3mal s LEU 45 N -1.33 3.64 -0.16 3.17 2.96 -1.26 0.31 118.68 126.01 3mal s LEU 45 Ca 0.19 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.97 3mal s LEU 45 Cb -0.12 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 3mal s LEU 45 CO 0.09 -0.20 0.31 -0.32 -1.32 0.00 0.00 176.35 174.91 3mal s MET 46 N 1.35 4.26 -0.09 1.98 -2.45 0.88 -1.10 119.30 124.14 3mal s MET 46 Ca -0.01 0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.25 3mal s MET 46 Cb -0.18 -3.44 -0.04 0.00 1.25 0.00 0.00 34.83 32.43 3mal s MET 46 CO -0.01 0.21 1.40 -1.58 1.05 0.00 0.00 175.02 176.09 3mal s HIS 47 N 0.55 2.63 0.12 4.11 2.46 0.07 -0.50 115.29 124.72 3mal s HIS 47 Ca 0.17 0.75 -0.20 0.00 0.47 0.00 0.00 55.06 56.25 3mal s HIS 47 Cb -0.13 -3.65 -0.07 0.00 -0.13 0.00 0.00 32.58 28.60 3mal s HIS 47 CO 0.05 -2.46 1.76 1.49 -2.47 0.00 0.00 174.74 173.10 3mal h GLU 48 N 8.44 0.27 -0.14 2.88 4.81 -1.68 0.35 114.58 129.52 3mal h GLU 48 Ca -0.33 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 3mal h GLU 48 Cb 1.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3mal h GLU 48 CO 0.94 0.21 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.87 3mal h LYS 49 N 0.26 0.47 0.00 1.92 1.63 -1.82 -3.33 116.57 115.70 3mal h LYS 49 Ca 0.07 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3mal h LYS 49 Cb -0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3mal h LYS 49 CO -0.01 0.94 -1.21 0.25 -3.45 0.00 0.00 179.45 175.96 3mal n THR 50 N -4.36 0.28 -0.91 1.00 -2.24 -1.20 -4.97 114.28 101.89 3mal n THR 50 Ca -0.07 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3mal n THR 50 Cb 0.50 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3mal n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mal n LYS 51 N -2.25 -0.99 -2.07 -0.78 4.76 0.12 -5.01 118.16 111.94 3mal n LYS 51 Ca 0.00 0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 3mal n LYS 51 Cb 0.50 -4.23 0.01 0.00 -1.84 0.00 0.00 35.03 29.47 3mal n LYS 51 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3mal s PHE 52 N -1.49 2.90 -0.08 2.13 0.40 -1.26 -4.68 117.98 115.90 3mal s PHE 52 Ca 0.00 1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 57.82 3mal s PHE 52 Cb 0.00 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 3mal s PHE 52 CO 0.00 -1.22 0.06 1.03 0.70 0.00 0.00 175.22 175.79 3mal s ARG 53 N -3.92 3.16 0.24 0.44 3.00 0.53 -0.75 118.95 121.64 3mal s ARG 53 Ca 0.65 -0.32 -0.31 0.00 0.00 0.00 0.00 55.73 55.74 3mal s ARG 53 Cb -0.17 -2.94 -0.13 0.00 0.00 0.00 0.00 34.95 31.70 3mal s ARG 53 CO 0.35 0.72 1.50 -0.11 0.00 0.00 0.00 175.30 177.77 3mal n LEU 54 N 1.92 3.45 -3.73 2.53 7.94 -0.26 -0.32 117.00 128.54 3mal n LEU 54 Ca -0.18 1.13 -0.14 0.00 -1.11 0.00 0.00 56.01 55.71 3mal n LEU 54 Cb 0.54 -1.48 -0.09 0.00 0.53 0.00 0.00 43.42 42.92 3mal n LEU 54 CO 0.31 -0.26 0.08 -2.28 -1.11 0.00 0.00 177.39 174.14 3mal s HIS 55 N 0.21 -0.33 0.20 1.96 5.65 -0.38 -4.55 115.29 118.06 3mal s HIS 55 Ca 0.70 0.67 0.01 0.00 0.25 0.00 0.00 55.06 56.69 3mal s HIS 55 Cb -0.61 0.15 -0.00 0.00 -1.18 0.00 0.00 32.58 30.94 3mal s HIS 55 CO 0.46 -0.34 0.25 0.45 -0.65 0.00 0.00 174.74 174.90 3mal n SER 56 N 1.86 -0.67 0.00 9.88 2.88 -1.11 -1.27 113.62 125.19 3mal n SER 56 Ca -0.18 -2.19 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 3mal n SER 56 Cb 0.57 1.33 0.00 0.00 -0.75 0.00 0.00 64.21 65.36 3mal n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mal n HIS 57 N -0.36 0.00 -2.22 0.66 1.44 -1.26 -4.78 115.22 108.70 3mal n HIS 57 Ca 0.02 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.32 3mal n HIS 57 Cb 0.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 3mal n HIS 57 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3mal n ASP 58 N 0.00 7.04 -3.72 4.39 5.75 -1.26 -4.60 116.55 124.15 3mal n ASP 58 Ca 0.00 -3.20 -0.12 0.00 -0.01 0.00 0.00 54.79 51.46 3mal n ASP 58 Cb 0.00 -1.37 -0.12 0.00 -1.03 0.00 0.00 41.12 38.60 3mal n ASP 58 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mal s VAL 59 N -1.13 -0.04 0.48 2.12 0.11 -1.26 -5.09 120.40 115.59 3mal s VAL 59 Ca 0.47 0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 59.61 3mal s VAL 59 Cb 0.15 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3mal s VAL 59 CO -0.06 0.05 0.76 -2.16 -3.33 0.00 0.00 175.10 170.37 3mal s PRO 60 N 1.24 3.33 0.50 1.54 0.04 -1.26 -1.16 135.00 139.23 3mal s PRO 60 Ca -0.09 -0.02 -0.23 0.00 0.04 0.00 0.00 61.00 60.70 3mal s PRO 60 Cb -0.10 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 3mal s PRO 60 CO -0.09 -0.27 1.39 0.71 0.04 0.00 0.00 177.00 178.78 3mal s TYR 61 N -2.71 2.36 -0.33 0.56 2.02 -0.16 -4.68 117.35 114.41 3mal s TYR 61 Ca 0.48 1.32 0.23 0.00 -0.37 0.00 0.00 57.07 58.72 3mal s TYR 61 Cb -0.10 -3.86 0.15 0.00 -0.40 0.00 0.00 41.96 37.75 3mal s TYR 61 CO 0.43 -2.94 1.29 0.78 -1.57 0.00 0.00 175.55 173.54 3mal h GLY 62 N 1.85 0.00 -0.40 0.71 0.00 -1.91 -3.39 103.07 99.93 3mal h GLY 62 Ca -0.51 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.61 3mal h GLY 62 CO 0.59 0.00 -0.09 -1.14 0.00 0.00 0.00 176.54 175.90 3mal n SER 63 N -2.85 1.49 0.00 0.19 3.41 -1.26 -4.83 113.62 109.77 3mal n SER 63 Ca 0.02 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3mal n SER 63 Cb 0.54 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3mal n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mal n GLY 64 N 2.39 3.79 0.21 5.00 0.00 -1.26 -1.19 105.19 114.13 3mal n GLY 64 Ca 0.01 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3mal n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mal h SER 65 N 0.00 0.00 -0.01 1.61 4.64 -1.94 -3.47 113.55 114.38 3mal h SER 65 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mal h SER 65 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mal h SER 65 CO 0.00 0.11 -0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3mal n GLY 66 N 0.90 0.44 3.90 -0.77 0.00 -0.33 -5.03 105.19 104.30 3mal n GLY 66 Ca 0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3mal n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mal s GLN 67 N -0.41 2.40 0.12 1.61 -0.21 -1.26 -4.37 119.66 117.54 3mal s GLN 67 Ca 0.00 0.24 -0.35 0.00 0.02 0.00 0.00 55.36 55.26 3mal s GLN 67 Cb 0.00 -2.01 -0.16 0.00 1.00 0.00 0.00 33.01 31.84 3mal s GLN 67 CO 0.00 -1.30 1.34 0.94 -2.12 0.00 0.00 175.29 174.16 3mal n GLN 68 N -3.13 1.33 -2.17 2.91 7.27 -1.20 -0.98 117.38 121.41 3mal n GLN 68 Ca 0.07 0.48 -0.32 0.00 0.07 0.00 0.00 57.00 57.31 3mal n GLN 68 Cb 0.59 -2.11 -0.01 0.00 2.41 0.00 0.00 30.24 31.11 3mal n GLN 68 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3mal s SER 69 N 0.44 6.36 -0.01 1.69 1.04 -0.31 -0.63 113.70 122.29 3mal s SER 69 Ca 0.81 1.55 0.04 0.00 0.48 0.00 0.00 55.95 58.83 3mal s SER 69 Cb -0.88 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 62.73 3mal s SER 69 CO 0.47 -0.77 -0.13 -0.69 0.98 0.00 0.00 173.24 173.09 3mal s VAL 70 N -2.79 1.05 0.22 5.02 1.01 -1.26 -4.28 120.40 119.37 3mal s VAL 70 Ca 0.58 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3mal s VAL 70 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3mal s VAL 70 CO 0.40 0.27 0.20 0.42 0.00 0.00 0.00 175.10 176.39 3mal s THR 71 N -0.35 0.00 -0.18 3.92 -4.23 -0.39 -4.03 115.64 110.38 3mal s THR 71 Ca 0.05 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 3mal s THR 71 Cb -0.05 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 3mal s THR 71 CO -0.00 0.00 0.29 -0.83 -0.54 0.00 0.00 174.62 173.53 3mal s GLY 72 N -3.16 2.16 -0.11 3.99 0.00 0.39 -1.25 107.32 109.35 3mal s GLY 72 Ca 0.37 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 3mal s GLY 72 CO 0.13 0.48 -0.05 -0.12 0.00 0.00 0.00 173.10 173.54 3mal s PHE 73 N 0.66 3.00 0.06 1.90 5.36 0.56 -1.07 117.98 128.46 3mal s PHE 73 Ca 0.16 -0.11 0.09 0.00 -0.96 0.00 0.00 56.93 56.10 3mal s PHE 73 Cb -0.13 -1.83 -0.21 0.00 -0.34 0.00 0.00 43.02 40.50 3mal s PHE 73 CO 0.04 0.18 1.08 -1.00 -1.46 0.00 0.00 175.22 174.06 3mal h PRO 74 N 5.91 0.00 -6.98 10.12 0.13 -1.88 0.15 132.00 139.45 3mal h PRO 74 Ca -0.41 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 3mal h PRO 74 Cb 1.18 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 3mal h PRO 74 CO 0.57 0.83 0.67 0.20 -0.23 0.00 0.00 178.00 180.04 3mal s GLY 75 N -4.84 2.91 -0.03 1.56 0.00 -1.26 -4.87 107.32 100.80 3mal s GLY 75 Ca -0.01 1.38 0.06 0.00 0.00 0.00 0.00 44.72 46.15 3mal s GLY 75 CO 0.82 1.98 0.72 -2.08 0.00 0.00 0.00 173.10 174.54 3mal h VAL 76 N 2.25 0.97 -3.60 1.40 2.07 -1.99 -3.43 116.25 113.92 3mal h VAL 76 Ca -0.50 -2.74 -0.64 0.00 0.82 0.00 0.00 66.70 63.63 3mal h VAL 76 Cb 1.26 2.55 -0.15 0.00 -1.52 0.00 0.00 31.29 33.43 3mal h VAL 76 CO 0.61 0.67 -0.03 0.68 0.02 0.00 0.00 177.57 179.52 3mal s VAL 77 N -2.61 5.01 -0.30 2.57 -7.23 -1.26 -4.96 120.40 111.63 3mal s VAL 77 Ca -0.08 0.43 -0.07 0.00 -1.81 0.00 0.00 61.98 60.45 3mal s VAL 77 Cb 0.08 -3.96 0.19 0.00 0.56 0.00 0.00 36.38 33.25 3mal s VAL 77 CO 0.82 -0.19 0.93 -0.62 -0.31 0.00 0.00 175.10 175.73 3mal s ASP 78 N 1.74 -0.72 0.49 4.85 3.68 -1.26 -5.01 116.67 120.44 3mal s ASP 78 Ca 0.20 0.11 0.20 0.00 2.13 0.00 0.00 52.55 55.18 3mal s ASP 78 Cb -0.15 1.47 1.24 0.00 -1.45 0.00 0.00 42.92 44.03 3mal s ASP 78 CO 0.13 -0.13 2.01 0.77 0.13 0.00 0.00 175.17 178.08 3mal h SER 79 N 7.49 0.14 0.06 -0.34 4.64 -2.00 -1.55 113.55 122.00 3mal h SER 79 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3mal h SER 79 Cb 1.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3mal h SER 79 CO -0.03 0.08 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 3mal n ASN 80 N -4.44 0.00 -0.71 4.97 3.02 -1.26 -2.23 115.26 114.61 3mal n ASN 80 Ca 0.08 -0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 3mal n ASN 80 Cb 0.45 -0.13 0.22 0.00 -0.61 0.00 0.00 39.78 39.72 3mal n ASN 80 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mal n SER 81 N -1.13 2.31 -4.78 6.41 7.64 -0.58 -2.74 113.62 120.75 3mal n SER 81 Ca 0.05 -1.71 -0.39 0.00 1.01 0.00 0.00 58.87 57.82 3mal n SER 81 Cb 0.04 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3mal n SER 81 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3mal s TYR 82 N -2.10 3.74 -0.00 1.43 1.51 -0.95 -4.36 117.35 116.62 3mal s TYR 82 Ca 0.29 1.27 0.04 0.00 -1.01 0.00 0.00 57.07 57.66 3mal s TYR 82 Cb 0.20 -2.60 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 3mal s TYR 82 CO 0.36 0.43 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.52 3mal s TRP 83 N -0.51 1.17 -0.20 2.71 0.52 -0.10 -2.00 118.94 120.52 3mal s TRP 83 Ca 0.31 -0.24 -0.13 0.00 0.02 0.00 0.00 56.10 56.06 3mal s TRP 83 Cb -0.19 -0.75 -0.05 0.00 -1.15 0.00 0.00 33.47 31.34 3mal s TRP 83 CO 0.19 -0.01 0.28 0.42 0.02 0.00 0.00 176.95 177.84 3mal s ILE 84 N -0.39 5.29 -0.13 2.03 -1.09 -0.09 -0.38 121.20 126.44 3mal s ILE 84 Ca 0.04 0.47 -0.29 0.00 -2.23 0.00 0.00 60.65 58.64 3mal s ILE 84 Cb -0.05 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3mal s ILE 84 CO -0.00 0.33 1.07 -0.69 -1.23 0.00 0.00 174.94 174.42 3mal s VAL 85 N 0.92 4.62 0.07 2.92 1.01 -0.66 -1.60 120.40 127.68 3mal s VAL 85 Ca 0.14 1.91 0.05 0.00 0.00 0.00 0.00 61.98 64.09 3mal s VAL 85 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3mal s VAL 85 CO 0.05 -0.05 -0.14 -0.54 0.00 0.00 0.00 175.10 174.42 3mal s LYS 86 N 2.45 0.81 1.01 2.72 1.02 0.01 -0.43 119.74 127.34 3mal s LYS 86 Ca 0.49 -0.95 -0.16 0.00 0.02 0.00 0.00 55.97 55.37 3mal s LYS 86 Cb -0.19 -0.80 0.20 0.00 -0.52 0.00 0.00 37.83 36.53 3mal s LYS 86 CO 0.16 0.17 1.22 -1.25 -0.92 0.00 0.00 175.35 174.73 3mal s PRO 87 N -1.76 0.31 0.20 -1.68 0.04 -1.26 -0.83 135.00 130.02 3mal s PRO 87 Ca -0.02 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.59 3mal s PRO 87 Cb -0.10 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 3mal s PRO 87 CO 0.02 -2.68 0.99 0.08 0.04 0.00 0.00 177.00 175.46 3mal s VAL 88 N -3.50 4.07 0.42 -0.36 1.01 -1.26 -4.56 120.40 116.22 3mal s VAL 88 Ca 0.70 1.93 -0.25 0.00 0.00 0.00 0.00 61.98 64.36 3mal s VAL 88 Cb -0.08 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 3mal s VAL 88 CO 0.54 0.40 1.23 -2.65 0.00 0.00 0.00 175.10 174.61 3mal n PRO 89 N 1.92 1.82 -0.93 2.72 -0.02 -1.26 -2.87 135.00 136.37 3mal n PRO 89 Ca -0.00 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3mal n PRO 89 Cb 0.47 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3mal n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mal n GLY 90 N 0.88 0.92 4.02 -1.23 0.00 -1.26 -5.03 105.19 103.48 3mal n GLY 90 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3mal n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mal s THR 91 N -3.65 2.62 0.09 2.61 -4.23 -1.14 -5.02 115.64 106.92 3mal s THR 91 Ca 0.00 -0.97 0.13 0.00 -1.18 0.00 0.00 61.69 59.68 3mal s THR 91 Cb 0.00 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3mal s THR 91 CO 0.00 0.00 1.53 0.71 -0.54 0.00 0.00 174.62 176.32 3mal h THR 92 N 0.39 1.17 -2.97 3.99 1.35 -1.96 -3.45 112.91 111.44 3mal h THR 92 Ca -0.36 -2.27 -0.55 0.00 -0.55 0.00 0.00 66.41 62.68 3mal h THR 92 Cb 1.28 2.32 0.08 0.00 -1.73 0.00 0.00 68.15 70.10 3mal h THR 92 CO 0.44 0.59 0.79 -0.62 -0.25 0.00 0.00 175.52 176.46 3mal n GLU 93 N -3.45 2.44 -4.19 4.72 4.71 -1.26 -5.00 120.64 118.61 3mal n GLU 93 Ca 0.00 0.87 -0.11 0.00 -0.01 0.00 0.00 57.16 57.91 3mal n GLU 93 Cb 0.69 -2.61 -0.10 0.00 -1.01 0.00 0.00 31.44 28.41 3mal n GLU 93 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 3mal s LYS 94 N -0.29 1.03 0.16 3.49 -2.85 -1.26 -4.81 119.74 115.21 3mal s LYS 94 Ca 0.67 -1.50 -0.34 0.00 -1.00 0.00 0.00 55.97 53.80 3mal s LYS 94 Cb -0.56 0.09 -0.15 0.00 -2.06 0.00 0.00 37.83 35.15 3mal s LYS 94 CO 0.47 -0.24 1.39 1.04 0.10 0.00 0.00 175.35 178.11 3mal n GLN 95 N -0.17 1.65 0.00 1.78 6.02 -1.26 -1.68 117.38 123.72 3mal n GLN 95 Ca -0.05 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 3mal n GLN 95 Cb 0.64 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.66 3mal n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mal n GLY 96 N 2.59 0.96 3.78 1.08 0.00 -0.16 -4.88 105.19 108.56 3mal n GLY 96 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3mal n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mal s ASP 97 N -2.34 7.35 0.33 1.61 1.01 -0.68 -0.89 116.67 123.07 3mal s ASP 97 Ca 0.00 1.71 -0.29 0.00 0.71 0.00 0.00 52.55 54.68 3mal s ASP 97 Cb 0.00 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 3mal s ASP 97 CO 0.00 0.08 1.31 0.00 0.21 0.00 0.00 175.17 176.78 3mal s ALA 98 N -1.37 3.50 -0.18 5.23 0.00 -1.26 -1.30 121.76 126.38 3mal s ALA 98 Ca 0.42 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 3mal s ALA 98 Cb -0.21 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 3mal s ALA 98 CO 0.25 -0.66 0.87 0.08 0.00 0.00 0.00 175.76 176.31 3mal s VAL 99 N -1.13 4.84 0.19 0.00 1.01 -0.49 -4.86 120.40 119.96 3mal s VAL 99 Ca 0.49 1.72 -0.16 0.00 0.00 0.00 0.00 61.98 64.03 3mal s VAL 99 Cb -0.40 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 3mal s VAL 99 CO 0.53 -0.01 0.63 -0.54 0.00 0.00 0.00 175.10 175.71 3mal s LYS 100 N 2.33 4.08 0.08 2.72 3.01 -1.26 -0.55 119.74 130.14 3mal s LYS 100 Ca 0.40 0.64 -0.37 0.00 -1.01 0.00 0.00 55.97 55.63 3mal s LYS 100 Cb -0.16 -2.88 -0.17 0.00 -1.01 0.00 0.00 37.83 33.61 3mal s LYS 100 CO 0.12 0.42 1.27 0.45 0.51 0.00 0.00 175.35 178.12 3mal n SER 101 N 0.68 1.30 0.00 2.83 2.88 -0.37 -1.38 113.62 119.57 3mal n SER 101 Ca -0.04 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3mal n SER 101 Cb 0.52 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 3mal n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mal n GLY 102 N 2.29 1.29 3.76 0.46 0.00 0.72 -5.02 105.19 108.69 3mal n GLY 102 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3mal n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mal s ALA 103 N -2.62 2.88 -0.23 4.61 0.00 -0.48 -4.64 121.76 121.28 3mal s ALA 103 Ca 0.00 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.87 3mal s ALA 103 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3mal s ALA 103 CO 0.00 -0.99 0.60 0.99 0.00 0.00 0.00 175.76 176.36 3mal s THR 104 N -1.45 5.02 0.32 0.00 2.01 -1.26 -0.52 115.64 119.76 3mal s THR 104 Ca 0.68 1.09 0.05 0.00 0.31 0.00 0.00 61.69 63.82 3mal s THR 104 Cb -0.34 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 3mal s THR 104 CO 0.40 0.08 0.01 0.27 -0.69 0.00 0.00 174.62 174.68 3mal s ILE 105 N 2.21 1.52 0.13 1.82 -4.36 0.17 -4.24 121.20 118.45 3mal s ILE 105 Ca 0.26 -2.05 0.09 0.00 -0.26 0.00 0.00 60.65 58.69 3mal s ILE 105 Cb -0.16 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 3mal s ILE 105 CO 0.09 -0.11 -0.20 -0.13 0.24 0.00 0.00 174.94 174.83 3mal s ARG 106 N -3.79 1.21 -0.19 0.37 0.52 -0.01 -1.01 118.95 116.05 3mal s ARG 106 Ca 0.34 -1.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 3mal s ARG 106 Cb 0.07 -1.41 0.04 0.00 0.52 0.00 0.00 34.95 34.17 3mal s ARG 106 CO 0.15 0.31 -0.12 -0.51 0.02 0.00 0.00 175.30 175.15 3mal s LEU 107 N -2.25 2.27 -0.25 2.53 1.43 -1.26 -0.81 118.68 120.34 3mal s LEU 107 Ca 0.11 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 3mal s LEU 107 Cb -0.08 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 3mal s LEU 107 CO 0.06 -0.12 0.14 -1.58 0.23 0.00 0.00 176.35 175.07 3mal s GLN 108 N 1.37 3.91 -0.05 1.70 0.74 -0.63 -0.64 119.66 126.07 3mal s GLN 108 Ca -0.00 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.76 3mal s GLN 108 Cb -0.16 -3.49 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 3mal s GLN 108 CO -0.09 -0.06 1.72 -1.58 -0.55 0.00 0.00 175.29 174.73 3mal s HIS 109 N 1.35 1.84 0.17 1.67 5.65 0.75 -0.92 115.29 125.81 3mal s HIS 109 Ca 0.06 0.10 -0.14 0.00 0.25 0.00 0.00 55.06 55.33 3mal s HIS 109 Cb -0.15 -3.98 0.10 0.00 -1.18 0.00 0.00 32.58 27.37 3mal s HIS 109 CO 0.06 -4.12 1.80 0.52 -0.65 0.00 0.00 174.74 172.35 3mal h MET 110 N 9.91 0.54 -0.16 2.88 0.00 -1.73 0.23 114.93 126.60 3mal h MET 110 Ca -0.41 -0.03 -0.16 0.00 0.00 0.00 0.00 59.70 59.10 3mal h MET 110 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 31.60 32.66 3mal h MET 110 CO 0.95 0.36 -0.56 0.87 0.00 0.00 0.00 176.91 178.53 3mal h LYS 111 N 0.56 0.51 -0.01 1.72 1.79 -1.85 -3.25 116.57 116.03 3mal h LYS 111 Ca 0.20 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3mal h LYS 111 Cb 0.05 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3mal h LYS 111 CO -0.10 0.93 -0.11 0.25 -1.08 0.00 0.00 179.45 179.34 3mal n THR 112 N -3.94 0.00 -0.97 -0.16 -2.24 -1.21 -5.00 114.28 100.76 3mal n THR 112 Ca -0.03 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3mal n THR 112 Cb 0.61 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 3mal n THR 112 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mal n ARG 113 N 0.23 -1.53 -2.81 -0.78 1.74 0.81 -4.98 116.66 109.34 3mal n ARG 113 Ca 0.06 0.38 -0.28 0.00 -0.77 0.00 0.00 57.85 57.24 3mal n ARG 113 Cb 0.26 -4.62 -0.01 0.00 -1.02 0.00 0.00 32.46 27.07 3mal n ARG 113 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3mal s LYS 114 N -1.59 3.61 -0.08 5.56 1.02 -1.24 -4.13 119.74 122.90 3mal s LYS 114 Ca 0.00 0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.14 3mal s LYS 114 Cb 0.00 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3mal s LYS 114 CO 0.00 -0.09 0.19 -1.58 -0.92 0.00 0.00 175.35 172.95 3mal s TRP 115 N -2.54 3.61 0.11 3.18 0.52 0.21 -0.18 118.94 123.85 3mal s TRP 115 Ca 0.48 0.58 -0.31 0.00 0.02 0.00 0.00 56.10 56.87 3mal s TRP 115 Cb -0.10 -1.98 -0.09 0.00 -1.15 0.00 0.00 33.47 30.14 3mal s TRP 115 CO 0.39 0.70 1.73 -1.17 0.02 0.00 0.00 176.95 178.62 3mal s LEU 116 N -1.22 4.38 0.02 2.99 2.96 0.19 -1.32 118.68 126.67 3mal s LEU 116 Ca 0.19 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 3mal s LEU 116 Cb -0.13 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 3mal s LEU 116 CO 0.08 -0.94 -0.03 -2.28 -1.32 0.00 0.00 176.35 171.87 3mal s HIS 117 N 2.51 0.23 0.28 5.38 5.65 0.21 -4.46 115.29 125.09 3mal s HIS 117 Ca 0.77 -0.44 -0.06 0.00 0.25 0.00 0.00 55.06 55.58 3mal s HIS 117 Cb -0.43 -0.17 -0.01 0.00 -1.18 0.00 0.00 32.58 30.79 3mal s HIS 117 CO 0.34 -0.15 0.40 0.45 -0.65 0.00 0.00 174.74 175.13 3mal s SER 118 N -1.22 0.41 0.00 9.88 0.15 -1.04 -1.03 113.70 120.85 3mal s SER 118 Ca -0.13 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.25 3mal s SER 118 Cb -0.08 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3mal s SER 118 CO -0.01 -1.15 0.00 0.00 1.20 0.00 0.00 173.24 173.29 3mal n HIS 119 N -0.44 0.00 -2.69 3.44 1.44 -1.25 -4.78 115.22 110.95 3mal n HIS 119 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 3mal n HIS 119 Cb 0.63 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.74 3mal n HIS 119 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3mal n LEU 120 N 0.00 6.47 -4.20 2.39 4.77 -1.26 -4.14 117.00 121.02 3mal n LEU 120 Ca 0.00 -4.90 -0.15 0.00 -0.03 0.00 0.00 56.01 50.93 3mal n LEU 120 Cb 0.00 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.59 3mal n LEU 120 CO 0.00 1.49 -0.42 -1.00 -1.33 0.00 0.00 177.39 176.13 3mal s HIS 121 N -1.03 1.17 -0.03 -1.77 3.76 -1.26 -5.03 115.29 111.10 3mal s HIS 121 Ca 0.36 -0.65 -0.20 0.00 -0.15 0.00 0.00 55.06 54.42 3mal s HIS 121 Cb 0.06 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 3mal s HIS 121 CO 0.05 0.04 0.57 0.00 -0.85 0.00 0.00 174.74 174.55 3mal s ALA 122 N -2.50 3.48 0.57 -1.40 0.00 -1.26 -0.10 121.76 120.55 3mal s ALA 122 Ca 0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 3mal s ALA 122 Cb -0.03 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 3mal s ALA 122 CO 0.01 0.14 1.12 -1.54 0.00 0.00 0.00 175.76 175.48 3mal s SER 123 N -0.03 5.61 0.41 0.00 1.04 0.14 -4.50 113.70 116.37 3mal s SER 123 Ca 0.30 2.11 0.20 0.00 0.48 0.00 0.00 55.95 59.04 3mal s SER 123 Cb -0.18 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.23 3mal s SER 123 CO 0.16 -1.29 1.83 -0.65 0.98 0.00 0.00 173.24 174.27 3mal h PRO 124 N 0.93 0.00 0.00 4.02 0.11 -1.93 -2.05 132.00 133.08 3mal h PRO 124 Ca -0.49 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 3mal h PRO 124 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3mal h PRO 124 CO 0.56 0.31 -1.67 -0.89 -0.21 0.00 0.00 178.00 176.11 3mal n ILE 125 N -3.66 1.37 0.77 4.15 5.41 -1.26 -4.75 119.36 121.39 3mal n ILE 125 Ca -0.01 -0.10 0.11 0.00 1.00 0.00 0.00 62.75 63.75 3mal n ILE 125 Cb 0.43 -2.01 0.06 0.00 -0.71 0.00 0.00 39.64 37.41 3mal n ILE 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3mal n SER 126 N -4.18 0.66 -0.54 4.38 3.41 -1.26 -4.97 113.62 111.13 3mal n SER 126 Ca -0.31 -0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 57.86 3mal n SER 126 Cb 0.66 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.26 3mal n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mal n GLY 127 N 1.43 0.92 0.00 5.00 0.00 -0.77 -4.94 105.19 106.83 3mal n GLY 127 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3mal n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mal n ASN 128 N 0.76 0.00 -4.70 1.61 3.02 -1.26 -4.53 115.26 110.16 3mal n ASN 128 Ca -0.07 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 3mal n ASN 128 Cb 0.24 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3mal n ASN 128 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mal s LEU 129 N 0.00 4.33 0.18 3.41 1.02 -0.77 0.26 118.68 127.11 3mal s LEU 129 Ca 0.00 1.81 -0.31 0.00 0.02 0.00 0.00 54.13 55.65 3mal s LEU 129 Cb 0.00 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.55 3mal s LEU 129 CO 0.00 -0.45 1.46 -0.70 0.02 0.00 0.00 176.35 176.68 3mal s GLU 130 N 1.53 4.27 -0.17 1.70 2.12 0.86 -0.57 118.70 128.44 3mal s GLU 130 Ca 0.55 2.25 -0.03 0.00 0.36 0.00 0.00 54.97 58.10 3mal s GLU 130 Cb -0.25 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3mal s GLU 130 CO 0.25 -0.48 -0.07 0.08 -0.54 0.00 0.00 175.26 174.50 3mal s VAL 131 N 0.71 3.43 0.34 3.70 1.01 -1.26 -3.82 120.40 124.52 3mal s VAL 131 Ca 0.64 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3mal s VAL 131 Cb -0.41 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3mal s VAL 131 CO 0.35 0.48 0.14 -0.94 0.00 0.00 0.00 175.10 175.12 3mal s SER 132 N 0.79 2.07 -0.15 3.32 1.04 -0.19 -4.08 113.70 116.50 3mal s SER 132 Ca -0.03 -1.57 -0.05 0.00 0.48 0.00 0.00 55.95 54.79 3mal s SER 132 Cb -0.15 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3mal s SER 132 CO 0.02 -0.86 0.01 0.00 0.98 0.00 0.00 173.24 173.38 3mal s PHE 134 N 0.13 0.54 0.00 0.00 2.19 -0.44 -3.27 117.98 117.14 3mal s PHE 134 Ca 0.01 -0.32 0.00 0.00 0.33 0.00 0.00 56.93 56.95 3mal s PHE 134 Cb -0.13 -0.34 0.00 0.00 -1.31 0.00 0.00 43.02 41.24 3mal s PHE 134 CO 0.02 -0.06 0.00 0.41 1.83 0.00 0.00 175.22 177.42 3mal n GLY 135 N 2.11 -0.57 0.00 13.12 0.00 -1.26 -0.62 105.19 117.97 3mal n GLY 135 Ca -0.19 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3mal n GLY 135 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mal n ASP 136 N -0.21 0.62 0.02 1.61 5.68 -0.86 -4.41 116.55 119.01 3mal n ASP 136 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.42 3mal n ASP 136 Cb 0.00 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 40.53 3mal n ASP 136 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3mal n ASP 137 N 0.00 0.16 -0.48 -1.12 2.03 -1.26 -3.21 116.55 112.67 3mal n ASP 137 Ca 0.00 0.52 0.06 0.00 0.52 0.00 0.00 54.79 55.89 3mal n ASP 137 Cb 0.00 -0.56 0.11 0.00 -0.72 0.00 0.00 41.12 39.95 3mal n ASP 137 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3mal n THR 138 N -1.65 1.29 -3.15 5.18 -2.24 -1.26 -4.96 114.28 107.49 3mal n THR 138 Ca 0.06 -1.81 0.04 0.00 -2.27 0.00 0.00 64.05 60.07 3mal n THR 138 Cb 0.33 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3mal n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mal s ASN 139 N -2.42 -1.50 0.03 3.42 2.47 -1.20 -5.14 114.94 110.60 3mal s ASN 139 Ca 0.26 0.21 -0.01 0.00 0.42 0.00 0.00 52.86 53.74 3mal s ASN 139 Cb 0.25 1.97 -0.02 0.00 -1.45 0.00 0.00 41.25 42.00 3mal s ASN 139 CO -0.03 -0.28 -0.01 -0.55 -3.72 0.00 0.00 177.10 172.52 3mal s SER 140 N 2.84 0.29 0.00 -4.21 0.15 -1.26 -2.02 113.70 109.50 3mal s SER 140 Ca 0.12 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.14 3mal s SER 140 Cb -0.10 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3mal s SER 140 CO -0.25 -0.42 0.00 -0.90 1.20 0.00 0.00 173.24 172.87 3mal n ASP 141 N 1.06 0.00 0.24 5.45 5.75 -1.26 -5.03 116.55 122.76 3mal n ASP 141 Ca -0.20 -0.91 0.16 0.00 -0.01 0.00 0.00 54.79 53.84 3mal n ASP 141 Cb 0.57 0.00 0.85 0.00 -1.03 0.00 0.00 41.12 41.51 3mal n ASP 141 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3mal h THR 142 N 0.91 0.00 0.00 2.12 1.35 -2.01 0.16 112.91 115.44 3mal h THR 142 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3mal h THR 142 Cb 0.00 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3mal h THR 142 CO 0.00 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 176.50 3mal h GLY 143 N 0.36 0.00 -1.94 5.82 0.00 -1.96 -2.01 103.07 103.34 3mal h GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mal h GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3mal n ASP 144 N -2.67 2.89 -4.78 0.19 8.00 0.57 -2.51 116.55 118.24 3mal n ASP 144 Ca -0.02 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 3mal n ASP 144 Cb 0.08 -0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 3mal n ASP 144 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3mal s HIS 145 N -1.36 3.51 -0.02 1.24 3.76 -0.76 -4.43 115.29 117.23 3mal s HIS 145 Ca 0.37 0.53 0.02 0.00 -0.15 0.00 0.00 55.06 55.82 3mal s HIS 145 Cb 0.20 -2.16 0.01 0.00 1.11 0.00 0.00 32.58 31.74 3mal s HIS 145 CO 0.26 0.44 -0.06 -1.58 -0.85 0.00 0.00 174.74 172.96 3mal s TRP 146 N -0.16 0.66 -0.12 1.40 0.52 -0.18 -2.08 118.94 118.99 3mal s TRP 146 Ca 0.14 -0.15 -0.22 0.00 0.02 0.00 0.00 56.10 55.89 3mal s TRP 146 Cb -0.12 -0.51 -0.03 0.00 -1.15 0.00 0.00 33.47 31.65 3mal s TRP 146 CO 0.03 -0.09 0.66 0.21 0.02 0.00 0.00 176.95 177.78 3mal s LYS 147 N 0.34 4.35 -0.26 4.98 2.20 0.74 0.41 119.74 132.50 3mal s LYS 147 Ca -0.04 0.76 -0.26 0.00 -0.36 0.00 0.00 55.97 56.07 3mal s LYS 147 Cb -0.08 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3mal s LYS 147 CO -0.00 -0.03 0.89 -1.17 -0.36 0.00 0.00 175.35 174.68 3mal s LEU 148 N 1.18 4.07 -0.23 5.43 2.96 0.32 -1.27 118.68 131.12 3mal s LEU 148 Ca 0.34 1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 55.23 3mal s LEU 148 Cb -0.17 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.25 3mal s LEU 148 CO 0.14 -0.61 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.89 3mal s ILE 149 N 3.04 3.28 -0.35 6.68 1.01 -0.10 -0.20 121.20 134.56 3mal s ILE 149 Ca 0.37 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 3mal s ILE 149 Cb -0.15 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 3mal s ILE 149 CO 0.09 0.33 0.59 -0.63 0.00 0.00 0.00 174.94 175.33 3mal s ILE 150 N 1.44 4.94 -1.31 2.92 1.01 -1.26 -0.20 121.20 128.74 3mal s ILE 150 Ca 0.04 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.13 3mal s ILE 150 Cb -0.15 -4.03 0.14 0.00 0.01 0.00 0.00 42.46 38.43 3mal s ILE 150 CO -0.03 -0.27 2.09 -0.62 0.00 0.00 0.00 174.94 176.11 3mal n GLU 151 N 5.93 3.98 -3.24 2.79 -0.58 -0.59 -4.79 120.64 124.13 3mal n GLU 151 Ca -0.02 -3.46 0.00 0.00 -0.42 0.00 0.00 57.16 53.25 3mal n GLU 151 Cb 0.49 -2.82 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 3mal n GLU 151 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mal n GLY 152 N 2.43 -1.26 0.09 0.62 0.00 -1.26 -4.82 105.19 100.99 3mal n GLY 152 Ca 0.49 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 3mal n GLY 152 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mal h SER 153 N 0.00 0.04 -2.25 1.61 0.02 -1.98 -3.47 113.55 107.51 3mal h SER 153 Ca 0.00 -0.03 -0.62 0.00 -0.84 0.00 0.00 61.79 60.29 3mal h SER 153 Cb 0.00 -0.01 0.09 0.00 0.14 0.00 0.00 62.40 62.62 3mal h SER 153 CO 0.00 0.91 0.24 0.61 -1.14 0.00 0.00 176.83 177.44 3mal n GLY 154 N 1.01 -0.03 0.07 -3.77 0.00 -1.26 -4.93 105.19 96.28 3mal n GLY 154 Ca -0.01 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.55 3mal n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mal n LYS 155 N 1.31 0.63 -4.40 1.61 5.02 -1.26 -4.79 118.16 116.28 3mal n LYS 155 Ca 0.12 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 3mal n LYS 155 Cb 0.29 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 3mal n LYS 155 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mal s THR 156 N -3.39 1.84 0.13 -0.18 -4.23 -1.26 -1.24 115.64 107.31 3mal s THR 156 Ca -0.04 -1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 58.64 3mal s THR 156 Cb 0.11 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.22 3mal s THR 156 CO 0.85 0.04 1.49 0.86 -0.54 0.00 0.00 174.62 177.32 3mal s TRP 157 N -1.06 3.07 0.13 3.99 -0.00 0.28 -4.86 118.94 120.50 3mal s TRP 157 Ca 0.08 0.74 0.07 0.00 -0.00 0.00 0.00 56.10 57.00 3mal s TRP 157 Cb -0.10 -3.82 -0.04 0.00 -0.00 0.00 0.00 33.47 29.52 3mal s TRP 157 CO 0.04 -2.98 -0.16 0.15 -0.00 0.00 0.00 176.95 174.00 3mal s LYS 158 N 1.32 1.12 0.44 5.86 1.02 -1.26 -0.60 119.74 127.63 3mal s LYS 158 Ca 0.68 -1.28 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 3mal s LYS 158 Cb -0.40 -1.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.70 3mal s LYS 158 CO 0.31 0.23 1.17 0.94 -0.92 0.00 0.00 175.35 177.07 3mal n GLN 159 N 0.54 1.65 -1.61 1.68 7.27 -0.08 -2.94 117.38 123.90 3mal n GLN 159 Ca -0.15 0.59 -0.19 0.00 0.07 0.00 0.00 57.00 57.32 3mal n GLN 159 Cb 0.56 -2.26 -0.08 0.00 2.41 0.00 0.00 30.24 30.87 3mal n GLN 159 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3mal n ASP 160 N 0.18 -5.34 -4.84 1.69 10.43 -0.61 -4.96 116.55 113.10 3mal n ASP 160 Ca 0.08 0.45 -0.36 0.00 2.57 0.00 0.00 54.79 57.53 3mal n ASP 160 Cb 0.40 -4.53 -0.07 0.00 1.84 0.00 0.00 41.12 38.77 3mal n ASP 160 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 3mal s GLN 161 N -3.72 3.32 -0.05 -1.24 0.74 -1.15 -4.98 119.66 112.58 3mal s GLN 161 Ca 0.00 -0.22 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 3mal s GLN 161 Cb 0.00 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 3mal s GLN 161 CO 0.00 0.75 1.18 1.03 -0.55 0.00 0.00 175.29 177.70 3mal s ARG 162 N -1.11 4.37 0.13 1.67 0.52 -1.26 -4.37 118.95 118.89 3mal s ARG 162 Ca 0.16 1.65 0.01 0.00 -0.52 0.00 0.00 55.73 57.03 3mal s ARG 162 Cb -0.12 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3mal s ARG 162 CO 0.05 -0.42 0.00 0.14 0.02 0.00 0.00 175.30 175.10 3mal s VAL 163 N 2.10 0.44 0.27 3.52 -7.23 -0.28 -1.54 120.40 117.68 3mal s VAL 163 Ca 0.55 -1.93 0.11 0.00 -1.81 0.00 0.00 61.98 58.90 3mal s VAL 163 Cb -0.24 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 3mal s VAL 163 CO 0.22 -0.60 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.16 3mal s ARG 164 N -3.94 1.93 -0.23 4.82 0.52 0.72 -0.91 118.95 121.85 3mal s ARG 164 Ca 0.20 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 53.80 3mal s ARG 164 Cb 0.07 -1.93 0.06 0.00 0.52 0.00 0.00 34.95 33.66 3mal s ARG 164 CO 0.00 0.35 -0.06 -0.51 0.02 0.00 0.00 175.30 175.09 3mal s LEU 165 N -3.56 2.57 -0.28 2.53 1.43 -1.26 -0.93 118.68 119.19 3mal s LEU 165 Ca 0.30 -1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.16 3mal s LEU 165 Cb -0.06 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 3mal s LEU 165 CO 0.17 -0.22 0.15 -1.58 0.23 0.00 0.00 176.35 175.10 3mal s GLN 166 N 1.38 3.73 0.02 1.70 0.74 -0.40 -0.45 119.66 126.39 3mal s GLN 166 Ca -0.05 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.60 3mal s GLN 166 Cb -0.19 -3.56 -0.08 0.00 1.10 0.00 0.00 33.01 30.29 3mal s GLN 166 CO -0.06 -0.24 1.90 -1.58 -0.55 0.00 0.00 175.29 174.76 3mal s HIS 167 N 1.69 1.45 0.06 1.67 5.65 0.74 -0.19 115.29 126.36 3mal s HIS 167 Ca 0.06 -0.32 -0.25 0.00 0.25 0.00 0.00 55.06 54.80 3mal s HIS 167 Cb -0.16 -4.18 -0.17 0.00 -1.18 0.00 0.00 32.58 26.89 3mal s HIS 167 CO 0.08 -5.23 1.59 0.82 -0.65 0.00 0.00 174.74 171.36 3mal h ILE 168 N 5.58 0.96 -0.13 0.89 1.08 -1.73 0.14 117.51 124.30 3mal h ILE 168 Ca -0.48 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.65 3mal h ILE 168 Cb 1.23 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 3mal h ILE 168 CO 0.94 0.07 -0.29 0.44 -0.69 0.00 0.00 178.15 178.61 3mal h ASP 169 N -0.27 0.25 0.00 1.72 3.32 -1.82 -3.25 116.42 116.38 3mal h ASP 169 Ca -0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3mal h ASP 169 Cb 0.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3mal h ASP 169 CO 0.02 0.55 -1.35 0.35 -1.72 0.00 0.00 179.24 177.09 3mal n THR 170 N -4.12 0.00 -1.03 0.35 -2.24 -1.22 -4.99 114.28 101.02 3mal n THR 170 Ca -0.01 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 3mal n THR 170 Cb 0.39 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3mal n THR 170 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3mal n SER 171 N -1.79 -4.70 -4.71 3.42 7.64 0.48 -4.98 113.62 108.98 3mal n SER 171 Ca -0.01 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 3mal n SER 171 Cb 0.36 -2.28 -0.03 0.00 -1.01 0.00 0.00 64.21 61.25 3mal n SER 171 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mal s GLY 172 N -2.07 2.59 0.12 0.23 0.00 -1.23 -4.50 107.32 102.47 3mal s GLY 172 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 44.72 45.13 3mal s GLY 172 CO 0.00 1.91 1.11 -0.19 0.00 0.00 0.00 173.10 175.93 3mal s TYR 173 N 1.11 3.56 0.05 1.90 2.02 0.36 -0.18 117.35 126.16 3mal s TYR 173 Ca 0.56 1.52 -0.34 0.00 -0.37 0.00 0.00 57.07 58.44 3mal s TYR 173 Cb -0.26 -3.30 -0.13 0.00 -0.40 0.00 0.00 41.96 37.87 3mal s TYR 173 CO 0.28 -0.73 1.68 -0.11 -1.57 0.00 0.00 175.55 175.10 3mal n LEU 174 N 3.01 3.10 -3.88 -1.29 7.94 0.40 -1.91 117.00 124.38 3mal n LEU 174 Ca 0.05 1.05 -0.11 0.00 -1.11 0.00 0.00 56.01 55.88 3mal n LEU 174 Cb 0.47 -1.38 -0.13 0.00 0.53 0.00 0.00 43.42 42.90 3mal n LEU 174 CO 0.54 -0.26 -0.33 -2.28 -1.11 0.00 0.00 177.39 173.95 3mal s HIS 175 N 2.11 0.03 0.29 1.96 5.65 0.09 -4.52 115.29 120.90 3mal s HIS 175 Ca 0.85 -0.06 0.05 0.00 0.25 0.00 0.00 55.06 56.15 3mal s HIS 175 Cb -0.71 -0.03 -0.03 0.00 -1.18 0.00 0.00 32.58 30.62 3mal s HIS 175 CO 0.44 -0.05 0.24 0.45 -0.65 0.00 0.00 174.74 175.17 3mal s SER 176 N -0.31 1.22 -0.05 9.88 0.15 -0.93 -1.52 113.70 122.14 3mal s SER 176 Ca -0.03 -1.65 -0.31 0.00 0.70 0.00 0.00 55.95 54.66 3mal s SER 176 Cb -0.02 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.92 3mal s SER 176 CO -0.00 -1.01 1.34 -1.38 1.20 0.00 0.00 173.24 173.40 3mal s HIS 177 N -3.64 -0.02 -1.47 3.44 -3.43 -1.26 -4.69 115.29 104.22 3mal s HIS 177 Ca 0.40 -0.05 -0.10 0.00 -0.80 0.00 0.00 55.06 54.51 3mal s HIS 177 Cb 0.04 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.74 3mal s HIS 177 CO 0.23 -0.17 2.52 -3.47 -2.00 0.00 0.00 174.74 171.85 3mal n ASP 178 N -0.60 7.03 -3.88 7.38 2.03 -1.26 -4.51 116.55 122.74 3mal n ASP 178 Ca -0.07 -2.84 -0.28 0.00 0.52 0.00 0.00 54.79 52.12 3mal n ASP 178 Cb 0.62 -1.52 -0.16 0.00 -0.72 0.00 0.00 41.12 39.34 3mal n ASP 178 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3mal s LYS 179 N 1.37 1.38 0.02 -0.67 1.02 -1.26 -5.09 119.74 116.52 3mal s LYS 179 Ca 0.57 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.06 3mal s LYS 179 Cb 0.16 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3mal s LYS 179 CO -0.07 -0.48 -0.24 0.15 -0.92 0.00 0.00 175.35 173.79 3mal s LYS 180 N 1.62 1.98 0.80 1.68 1.02 -1.26 -0.82 119.74 124.75 3mal s LYS 180 Ca -0.01 -1.01 -0.10 0.00 0.02 0.00 0.00 55.97 54.87 3mal s LYS 180 Cb -0.16 -2.06 0.07 0.00 -0.52 0.00 0.00 37.83 35.16 3mal s LYS 180 CO -0.07 0.54 1.10 0.71 -0.92 0.00 0.00 175.35 176.70 3mal s TYR 181 N -0.77 2.44 0.00 3.18 1.51 -0.18 -4.88 117.35 118.65 3mal s TYR 181 Ca 0.12 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.75 3mal s TYR 181 Cb -0.10 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 3mal s TYR 181 CO 0.02 -1.96 0.00 1.04 -1.11 0.00 0.00 175.55 173.53 3mal n GLN 182 N -3.64 3.44 0.00 -0.62 1.13 -1.26 -1.57 117.38 114.86 3mal n GLN 182 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3mal n GLN 182 Cb 0.53 -0.95 0.00 0.00 0.11 0.00 0.00 30.24 29.93 3mal n GLN 182 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3mal n ARG 183 N -1.89 0.00 -2.31 -1.09 1.74 -1.26 -4.51 116.66 107.34 3mal n ARG 183 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3mal n ARG 183 Cb 0.45 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.86 3mal n ARG 183 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3mal s ILE 184 N 0.33 3.52 -1.87 0.55 -1.09 -1.26 -1.68 121.20 119.70 3mal s ILE 184 Ca 0.00 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 3mal s ILE 184 Cb 0.00 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3mal s ILE 184 CO 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 174.94 173.87 3mal n ALA 185 N 3.00 -0.51 -1.73 9.38 0.00 -1.26 -4.95 120.51 124.43 3mal n ALA 185 Ca 0.07 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 3mal n ALA 185 Cb 0.44 -2.11 0.06 0.00 0.00 0.00 0.00 19.45 17.83 3mal n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mal n GLY 186 N -0.85 0.60 2.18 0.00 0.00 -0.68 -2.34 105.19 104.11 3mal n GLY 186 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3mal n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mal n GLY 187 N 0.87 2.53 3.86 -0.02 0.00 -0.61 -4.92 105.19 106.90 3mal n GLY 187 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3mal n GLY 187 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mal s GLN 188 N -0.38 3.92 0.18 1.61 -0.21 -0.99 -4.81 119.66 118.98 3mal s GLN 188 Ca 0.00 0.51 -0.16 0.00 0.02 0.00 0.00 55.36 55.73 3mal s GLN 188 Cb 0.00 -2.52 -0.07 0.00 1.00 0.00 0.00 33.01 31.41 3mal s GLN 188 CO 0.00 0.22 0.61 -0.65 -2.12 0.00 0.00 175.29 173.36 3mal s GLN 189 N -2.91 4.07 0.44 2.91 -0.21 -0.23 -1.01 119.66 122.72 3mal s GLN 189 Ca 0.51 0.62 -0.25 0.00 0.02 0.00 0.00 55.36 56.26 3mal s GLN 189 Cb -0.11 -2.91 -0.08 0.00 1.00 0.00 0.00 33.01 30.92 3mal s GLN 189 CO 0.19 0.44 1.38 -2.00 -2.12 0.00 0.00 175.29 173.19 3mal s GLU 190 N -1.98 3.75 -0.02 2.91 2.12 -0.00 -0.46 118.70 125.01 3mal s GLU 190 Ca 0.40 2.32 0.07 0.00 0.36 0.00 0.00 54.97 58.12 3mal s GLU 190 Cb -0.15 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 3mal s GLU 190 CO 0.20 -0.73 -0.23 0.08 -0.54 0.00 0.00 175.26 174.03 3mal s VAL 191 N -1.23 2.27 0.37 3.70 1.01 -1.26 -4.05 120.40 121.22 3mal s VAL 191 Ca 0.60 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3mal s VAL 191 Cb -0.42 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.19 3mal s VAL 191 CO 0.53 0.57 0.67 0.00 0.00 0.00 0.00 175.10 176.87 3mal s GLY 193 N -3.14 1.63 -0.04 0.00 0.00 0.27 -0.73 107.32 105.31 3mal s GLY 193 Ca 0.22 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 44.10 3mal s GLY 193 CO 0.15 -0.30 -0.12 -0.42 0.00 0.00 0.00 173.10 172.41 3mal s ILE 194 N 0.02 1.07 -1.60 0.90 1.01 -0.80 -1.84 121.20 119.95 3mal s ILE 194 Ca -0.02 -0.50 0.26 0.00 0.00 0.00 0.00 60.65 60.39 3mal s ILE 194 Cb -0.14 -0.94 0.55 0.00 0.01 0.00 0.00 42.46 41.94 3mal s ILE 194 CO 0.03 0.32 1.90 0.54 0.00 0.00 0.00 174.94 177.74 3mal n ARG 195 N 3.35 0.52 -4.61 2.79 1.74 -1.26 -0.49 116.66 118.69 3mal n ARG 195 Ca -0.19 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.58 3mal n ARG 195 Cb 0.53 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.36 3mal n ARG 195 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3mal s GLU 196 N -2.40 2.82 0.13 5.56 2.12 -1.26 -4.83 118.70 120.84 3mal s GLU 196 Ca 0.29 -0.55 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 3mal s GLU 196 Cb 0.18 -2.61 -0.10 0.00 0.26 0.00 0.00 34.13 31.85 3mal s GLU 196 CO 0.37 0.63 1.82 0.15 -0.54 0.00 0.00 175.26 177.70 3mal s LYS 197 N -0.72 4.13 0.06 4.30 1.02 -1.26 -4.86 119.74 122.41 3mal s LYS 197 Ca 0.11 2.60 -0.04 0.00 0.02 0.00 0.00 55.97 58.66 3mal s LYS 197 Cb -0.11 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3mal s LYS 197 CO 0.02 -0.84 0.06 0.15 -0.92 0.00 0.00 175.35 173.82 3mal s LYS 198 N 2.63 0.66 0.34 1.68 1.02 -1.26 -5.04 119.74 119.77 3mal s LYS 198 Ca 0.81 -1.01 0.12 0.00 0.02 0.00 0.00 55.97 55.90 3mal s LYS 198 Cb -0.46 0.25 0.95 0.00 -0.52 0.00 0.00 37.83 38.05 3mal s LYS 198 CO 0.36 -0.16 1.73 0.00 -0.92 0.00 0.00 175.35 176.36 3mal h ALA 199 N 3.20 1.90 -0.01 5.17 0.00 -1.99 -0.41 119.26 127.12 3mal h ALA 199 Ca -0.34 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3mal h ALA 199 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3mal h ALA 199 CO 0.59 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.21 3mal n ASP 200 N -4.84 0.11 -0.80 0.00 8.00 -1.26 -2.90 116.55 114.87 3mal n ASP 200 Ca 0.27 -1.58 0.06 0.00 0.71 0.00 0.00 54.79 54.25 3mal n ASP 200 Cb 0.79 -0.01 0.22 0.00 -0.02 0.00 0.00 41.12 42.11 3mal n ASP 200 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3mal n ASN 201 N -0.65 3.20 -4.75 -2.24 0.23 -0.16 -2.19 115.26 108.70 3mal n ASN 201 Ca 0.11 -3.24 -0.37 0.00 -0.53 0.00 0.00 54.58 50.54 3mal n ASN 201 Cb 0.07 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.16 3mal n ASN 201 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3mal s ILE 202 N -2.95 5.19 0.19 1.53 -1.09 -1.14 -4.50 121.20 118.42 3mal s ILE 202 Ca 0.41 0.82 0.05 0.00 -2.23 0.00 0.00 60.65 59.70 3mal s ILE 202 Cb 0.35 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 3mal s ILE 202 CO 0.05 0.40 -0.09 0.26 -1.23 0.00 0.00 174.94 174.33 3mal s TRP 203 N 0.23 1.47 -0.01 3.97 0.52 -0.09 -1.76 118.94 123.27 3mal s TRP 203 Ca 0.23 -0.74 0.02 0.00 0.02 0.00 0.00 56.10 55.63 3mal s TRP 203 Cb -0.15 -0.76 -0.00 0.00 -1.15 0.00 0.00 33.47 31.41 3mal s TRP 203 CO 0.09 0.14 -0.07 -0.51 0.02 0.00 0.00 176.95 176.62 3mal s LEU 204 N -3.25 1.95 0.38 2.99 1.02 0.34 -1.13 118.68 120.98 3mal s LEU 204 Ca 0.21 -0.14 -0.26 0.00 0.02 0.00 0.00 54.13 53.97 3mal s LEU 204 Cb 0.02 -0.39 -0.09 0.00 0.02 0.00 0.00 46.19 45.75 3mal s LEU 204 CO 0.04 0.08 1.16 0.00 0.02 0.00 0.00 176.35 177.65 3mal s ALA 205 N -0.07 3.19 0.08 4.21 0.00 -1.26 -0.08 121.76 127.84 3mal s ALA 205 Ca 0.01 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 52.83 3mal s ALA 205 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3mal s ALA 205 CO -0.00 -0.47 0.22 0.00 0.00 0.00 0.00 175.76 175.50 3mal s ALA 206 N -1.40 -0.33 -1.35 0.00 0.00 0.15 -1.58 121.76 117.25 3mal s ALA 206 Ca 0.55 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 3mal s ALA 206 Cb -0.30 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3mal s ALA 206 CO 0.39 -0.49 0.23 -1.91 0.00 0.00 0.00 175.76 173.98 3mal n GLU 207 N 0.08 -2.95 -2.07 0.00 2.13 -1.26 -1.59 120.64 114.98 3mal n GLU 207 Ca -0.16 0.72 -0.29 0.00 0.66 0.00 0.00 57.16 58.09 3mal n GLU 207 Cb 0.62 -5.41 0.04 0.00 0.27 0.00 0.00 31.44 26.96 3mal n GLU 207 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3mal s GLY 208 N -2.33 1.62 -0.22 8.31 0.00 -1.26 -4.55 107.32 108.89 3mal s GLY 208 Ca 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3mal s GLY 208 CO 0.19 -0.14 -0.14 0.14 0.00 0.00 0.00 173.10 173.14 3mal s VAL 209 N -3.23 2.07 -0.20 1.40 1.01 0.13 -5.00 120.40 116.58 3mal s VAL 209 Ca 0.57 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3mal s VAL 209 Cb -0.11 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3mal s VAL 209 CO 0.49 0.22 -0.07 -0.31 0.00 0.00 0.00 175.10 175.43 3mal s TYR 210 N 1.21 2.92 0.62 5.22 1.51 -1.26 -1.27 117.35 126.30 3mal s TYR 210 Ca -0.03 -0.89 -0.17 0.00 -1.01 0.00 0.00 57.07 54.97 3mal s TYR 210 Cb -0.17 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 3mal s TYR 210 CO -0.09 -0.47 1.15 -0.51 -1.11 0.00 0.00 175.55 174.52 3mal s LEU 211 N 1.20 3.54 0.51 -1.29 1.43 -1.26 -4.95 118.68 117.87 3mal s LEU 211 Ca 0.02 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.08 3mal s LEU 211 Cb -0.14 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.43 3mal s LEU 211 CO -0.02 -1.58 1.06 -2.65 0.23 0.00 0.00 176.35 173.38 3mal n PRO 212 N -1.96 1.26 -2.52 1.29 -0.02 -1.26 -4.67 135.00 127.13 3mal n PRO 212 Ca 0.12 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 3mal n PRO 212 Cb 0.51 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3mal n PRO 212 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mal s LEU 213 N -1.62 4.20 0.37 2.45 1.43 -1.26 -4.42 118.68 119.83 3mal s LEU 213 Ca 0.69 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.48 3mal s LEU 213 Cb -0.47 -3.55 0.70 0.00 0.03 0.00 0.00 46.19 42.91 3mal s LEU 213 CO 0.52 -0.65 1.99 0.78 0.23 0.00 0.00 176.35 179.21 3mal h ASN 214 N 7.70 0.57 0.00 2.29 2.35 -1.35 -3.50 115.58 123.65 3mal h ASN 214 Ca -0.27 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3mal h ASN 214 Cb 1.12 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3mal h ASN 214 CO 0.93 0.47 0.00 1.21 -1.65 0.00 0.00 177.43 178.40