#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn8 s PHE 80 N 0.00 1.01 0.40 2.98 0.08 -1.26 -5.16 117.98 116.03 2pn8 s PHE 80 Ca 0.00 -1.23 -0.24 0.00 0.12 0.00 0.00 56.93 55.58 2pn8 s PHE 80 Cb 0.00 -0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 41.81 2pn8 s PHE 80 CO 0.00 -0.49 1.05 -0.65 -0.10 0.00 0.00 175.22 175.03 2pn8 s GLN 81 N -4.05 4.15 -1.21 0.44 -0.21 -1.26 -4.26 119.66 113.26 2pn8 s GLN 81 Ca 0.28 1.51 -0.02 0.00 0.02 0.00 0.00 55.36 57.15 2pn8 s GLN 81 Cb 0.07 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 2pn8 s GLN 81 CO 0.05 -0.16 0.86 0.43 -2.12 0.00 0.00 175.29 174.36 2pn8 n SER 82 N -0.10 -2.72 -4.72 5.90 7.64 -1.26 -4.96 113.62 113.40 2pn8 n SER 82 Ca 0.05 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 2pn8 n SER 82 Cb 0.50 -4.65 -0.03 0.00 -1.01 0.00 0.00 64.21 59.02 2pn8 n SER 82 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2pn8 s MET 83 N -5.46 4.55 0.37 1.43 1.00 -1.26 -4.90 119.30 115.04 2pn8 s MET 83 Ca 0.11 1.56 -0.28 0.00 0.00 0.00 0.00 55.69 57.08 2pn8 s MET 83 Cb -0.02 -3.39 -0.10 0.00 0.00 0.00 0.00 34.83 31.31 2pn8 s MET 83 CO 0.77 -0.04 1.43 -2.14 0.00 0.00 0.00 175.02 175.03 2pn8 s PRO 84 N 0.67 4.14 0.32 2.03 0.02 -1.26 -1.01 135.00 139.91 2pn8 s PRO 84 Ca 0.53 2.45 -0.29 0.00 0.02 0.00 0.00 61.00 63.70 2pn8 s PRO 84 Cb -0.25 -2.96 -0.12 0.00 0.02 0.00 0.00 34.50 31.19 2pn8 s PRO 84 CO 0.29 -0.46 1.55 0.00 -0.33 0.00 0.00 177.00 178.06 2pn8 n ALA 85 N 0.49 2.44 -1.76 -1.55 0.00 0.12 -4.70 120.51 115.55 2pn8 n ALA 85 Ca 0.01 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2pn8 n ALA 85 Cb 0.40 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.41 2pn8 n ALA 85 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pn8 n PRO 86 N 1.61 2.57 -1.78 0.00 -0.02 -1.26 -4.93 135.00 131.19 2pn8 n PRO 86 Ca 0.06 0.90 -0.41 0.00 -2.02 0.00 0.00 63.50 62.04 2pn8 n PRO 86 Cb 0.37 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2pn8 n PRO 86 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2pn8 s TYR 87 N -1.06 2.55 0.04 6.00 5.04 -1.26 -4.99 117.35 123.66 2pn8 s TYR 87 Ca 0.54 1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 56.32 2pn8 s TYR 87 Cb -0.49 -4.04 -0.03 0.00 0.35 0.00 0.00 41.96 37.74 2pn8 s TYR 87 CO 0.63 -3.07 -0.03 1.67 -1.34 0.00 0.00 175.55 173.40 2pn8 s TRP 88 N -1.12 0.43 -0.07 4.97 1.48 -1.26 -5.02 118.94 118.35 2pn8 s TRP 88 Ca 0.53 -0.79 -0.19 0.00 -1.06 0.00 0.00 56.10 54.60 2pn8 s TRP 88 Cb -0.47 -0.31 0.04 0.00 -1.16 0.00 0.00 33.47 31.58 2pn8 s TRP 88 CO 0.64 -0.27 0.44 -1.83 -4.06 0.00 0.00 176.95 171.86 2pn8 s GLU 89 N -2.68 0.72 0.00 3.25 -1.05 -1.26 -1.23 118.70 116.45 2pn8 s GLU 89 Ca -0.04 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2pn8 s GLU 89 Cb -0.01 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2pn8 s GLU 89 CO -0.05 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.38 2pn8 n GLY 90 N 1.62 -1.33 3.73 -3.83 0.00 -0.13 -5.00 105.19 100.26 2pn8 n GLY 90 Ca -0.19 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 2pn8 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pn8 s THR 91 N -2.43 5.10 0.16 2.61 2.01 -1.26 -0.81 115.64 121.02 2pn8 s THR 91 Ca 0.00 1.10 0.11 0.00 0.31 0.00 0.00 61.69 63.21 2pn8 s THR 91 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2pn8 s THR 91 CO 0.00 0.34 -0.25 0.00 -0.69 0.00 0.00 174.62 174.02 2pn8 s ALA 92 N 0.43 2.37 -0.28 7.40 0.00 0.04 -0.71 121.76 131.00 2pn8 s ALA 92 Ca 0.29 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 2pn8 s ALA 92 Cb -0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2pn8 s ALA 92 CO 0.13 0.46 0.66 0.08 0.00 0.00 0.00 175.76 177.09 2pn8 s VAL 93 N -1.38 4.93 -0.11 0.00 1.01 -0.07 -0.77 120.40 124.02 2pn8 s VAL 93 Ca 0.16 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 2pn8 s VAL 93 Cb -0.09 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2pn8 s VAL 93 CO 0.07 -0.09 -0.06 -0.63 0.00 0.00 0.00 175.10 174.39 2pn8 s ILE 94 N 2.63 0.92 -1.50 2.22 1.01 0.72 -2.14 121.20 125.05 2pn8 s ILE 94 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 2pn8 s ILE 94 Cb -0.15 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.37 2pn8 s ILE 94 CO 0.10 0.35 0.21 0.47 0.00 0.00 0.00 174.94 176.07 2pn8 n ASP 95 N 4.97 0.28 0.00 3.58 8.00 -1.26 -1.46 116.55 130.65 2pn8 n ASP 95 Ca -0.12 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2pn8 n ASP 95 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.36 2pn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pn8 n GLY 96 N -2.28 0.65 3.39 0.44 0.00 -1.26 -5.00 105.19 101.14 2pn8 n GLY 96 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2pn8 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn8 s GLU 97 N -0.18 1.40 -0.11 1.61 2.02 -0.54 -5.08 118.70 117.81 2pn8 s GLU 97 Ca 0.00 -1.36 -0.28 0.00 0.02 0.00 0.00 54.97 53.35 2pn8 s GLU 97 Cb 0.00 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 2pn8 s GLU 97 CO 0.00 0.44 0.93 -0.06 0.02 0.00 0.00 175.26 176.59 2pn8 s PHE 98 N -1.13 3.50 0.01 1.61 0.08 -1.26 -0.20 117.98 120.58 2pn8 s PHE 98 Ca 0.14 1.48 0.01 0.00 0.12 0.00 0.00 56.93 58.68 2pn8 s PHE 98 Cb -0.10 -3.11 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 2pn8 s PHE 98 CO 0.06 -0.19 -0.03 0.15 -0.10 0.00 0.00 175.22 175.12 2pn8 s LYS 99 N 1.88 0.22 0.27 0.44 -0.14 0.05 -4.96 119.74 117.51 2pn8 s LYS 99 Ca 0.45 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.50 2pn8 s LYS 99 Cb -0.18 -0.09 -0.09 0.00 -1.68 0.00 0.00 37.83 35.79 2pn8 s LYS 99 CO 0.17 0.02 1.04 -1.21 -0.76 0.00 0.00 175.35 174.61 2pn8 s GLU 100 N -0.56 4.69 0.01 1.68 0.41 -1.26 -0.78 118.70 122.87 2pn8 s GLU 100 Ca -0.05 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.18 2pn8 s GLU 100 Cb -0.04 -3.17 -0.01 0.00 -1.78 0.00 0.00 34.13 29.13 2pn8 s GLU 100 CO -0.00 0.30 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.88 2pn8 s LEU 101 N -1.44 2.09 0.04 1.80 2.96 0.01 -4.89 118.68 119.25 2pn8 s LEU 101 Ca 0.44 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2pn8 s LEU 101 Cb -0.29 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.39 2pn8 s LEU 101 CO 0.37 -0.11 0.02 -1.59 -1.32 0.00 0.00 176.35 173.72 2pn8 s LYS 102 N -0.56 0.57 0.31 1.98 -2.85 -1.26 -0.95 119.74 116.97 2pn8 s LYS 102 Ca -0.06 -0.97 -0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2pn8 s LYS 102 Cb -0.04 0.21 0.51 0.00 -2.06 0.00 0.00 37.83 36.45 2pn8 s LYS 102 CO -0.00 -0.12 1.94 1.25 0.10 0.00 0.00 175.35 178.52 2pn8 h LEU 103 N 3.51 0.91 -0.39 2.77 5.85 -1.55 -1.48 115.31 124.92 2pn8 h LEU 103 Ca -0.33 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2pn8 h LEU 103 Cb 1.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2pn8 h LEU 103 CO 0.57 0.62 0.00 0.35 -0.34 0.00 0.00 178.44 179.63 2pn8 n THR 104 N -4.45 0.92 0.33 1.05 -2.24 -1.26 -1.69 114.28 106.94 2pn8 n THR 104 Ca 0.11 0.25 0.22 0.00 -2.27 0.00 0.00 64.05 62.36 2pn8 n THR 104 Cb 0.12 -1.10 1.14 0.00 -2.10 0.00 0.00 70.33 68.39 2pn8 n THR 104 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2pn8 h ASP 105 N 0.00 0.00 -0.26 3.42 3.32 -1.67 -2.30 116.42 118.93 2pn8 h ASP 105 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pn8 h ASP 105 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2pn8 h ASP 105 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 2pn8 n TYR 106 N -3.07 0.32 -1.63 4.55 4.01 -0.68 -4.97 117.16 115.69 2pn8 n TYR 106 Ca -0.02 -0.16 -0.46 0.00 -0.16 0.00 0.00 57.90 57.10 2pn8 n TYR 106 Cb 0.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 2pn8 n TYR 106 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pn8 n ARG 107 N 1.44 1.66 0.00 -0.72 5.12 -0.87 -1.19 116.66 122.10 2pn8 n ARG 107 Ca 0.17 0.59 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 2pn8 n ARG 107 Cb 0.60 -2.15 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 2pn8 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pn8 n GLY 108 N 1.88 1.17 3.20 -0.13 0.00 0.17 -5.04 105.19 106.43 2pn8 n GLY 108 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2pn8 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pn8 s LYS 109 N -0.68 1.02 0.62 1.61 1.02 -0.33 -4.84 119.74 118.15 2pn8 s LYS 109 Ca 0.00 -0.94 -0.18 0.00 0.02 0.00 0.00 55.97 54.87 2pn8 s LYS 109 Cb 0.00 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.19 2pn8 s LYS 109 CO 0.00 0.26 1.20 0.71 -0.92 0.00 0.00 175.35 176.60 2pn8 s TYR 110 N -1.04 2.35 -0.06 3.18 1.51 -0.69 -3.34 117.35 119.27 2pn8 s TYR 110 Ca 0.03 1.53 -0.00 0.00 -1.01 0.00 0.00 57.07 57.62 2pn8 s TYR 110 Cb -0.09 -3.45 0.03 0.00 -0.11 0.00 0.00 41.96 38.33 2pn8 s TYR 110 CO 0.02 -2.24 -0.01 -1.17 -1.11 0.00 0.00 175.55 171.04 2pn8 s LEU 111 N -4.34 0.89 -0.52 -1.29 2.96 0.51 -1.37 118.68 115.51 2pn8 s LEU 111 Ca 0.76 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.39 2pn8 s LEU 111 Cb -0.29 -0.39 0.06 0.00 0.50 0.00 0.00 46.19 46.06 2pn8 s LEU 111 CO 0.36 -0.14 0.70 -0.69 -1.32 0.00 0.00 176.35 175.26 2pn8 s VAL 112 N 1.51 4.76 -0.29 1.68 1.01 -0.14 -0.66 120.40 128.27 2pn8 s VAL 112 Ca -0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 2pn8 s VAL 112 Cb -0.13 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 31.90 2pn8 s VAL 112 CO -0.03 -0.90 0.05 0.12 0.00 0.00 0.00 175.10 174.34 2pn8 s PHE 113 N 2.93 3.14 -0.01 5.22 5.36 -0.04 -1.17 117.98 133.41 2pn8 s PHE 113 Ca 0.18 -1.15 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 2pn8 s PHE 113 Cb -0.18 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.28 2pn8 s PHE 113 CO 0.13 -0.62 -0.13 -0.59 -1.46 0.00 0.00 175.22 172.54 2pn8 s PHE 114 N 1.45 1.22 0.03 10.12 -0.71 0.00 -0.73 117.98 129.36 2pn8 s PHE 114 Ca 0.02 -0.25 -0.06 0.00 -1.04 0.00 0.00 56.93 55.59 2pn8 s PHE 114 Cb -0.17 -0.80 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 2pn8 s PHE 114 CO 0.01 -0.04 0.29 -0.06 -1.34 0.00 0.00 175.22 174.08 2pn8 s PHE 115 N -0.24 3.57 0.03 3.49 0.40 0.94 -0.68 117.98 125.49 2pn8 s PHE 115 Ca 0.04 0.58 0.03 0.00 -0.60 0.00 0.00 56.93 56.98 2pn8 s PHE 115 Cb -0.06 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 2pn8 s PHE 115 CO -0.00 0.59 -0.11 1.52 0.70 0.00 0.00 175.22 177.92 2pn8 s TYR 116 N -1.35 0.93 0.07 0.36 1.13 -0.10 -3.17 117.35 115.23 2pn8 s TYR 116 Ca 0.30 -0.31 -0.17 0.00 -1.41 0.00 0.00 57.07 55.47 2pn8 s TYR 116 Cb -0.13 -0.57 -0.06 0.00 -1.10 0.00 0.00 41.96 40.11 2pn8 s TYR 116 CO 0.18 -0.01 1.29 -1.35 -2.51 0.00 0.00 175.55 173.15 2pn8 h PRO 117 N 5.16 -0.17 -2.11 -3.49 0.11 -1.74 -3.39 132.00 126.37 2pn8 h PRO 117 Ca -0.35 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2pn8 h PRO 117 Cb 1.19 0.04 -0.22 0.00 0.11 0.00 0.00 31.00 32.12 2pn8 h PRO 117 CO 0.45 -0.11 -0.02 -0.51 -0.21 0.00 0.00 178.00 177.59 2pn8 s LEU 118 N -8.09 -0.77 0.62 2.35 1.43 -1.26 -4.33 118.68 108.63 2pn8 s LEU 118 Ca -0.07 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 2pn8 s LEU 118 Cb 0.05 2.22 -0.04 0.00 0.03 0.00 0.00 46.19 48.45 2pn8 s LEU 118 CO 0.33 -0.23 0.97 0.47 0.23 0.00 0.00 176.35 178.11 2pn8 n ASP 119 N 4.11 0.76 -1.70 2.29 9.92 -1.26 -3.07 116.55 127.59 2pn8 n ASP 119 Ca -0.20 0.79 -0.16 0.00 -0.53 0.00 0.00 54.79 54.69 2pn8 n ASP 119 Cb 0.58 -1.40 -0.02 0.00 -0.64 0.00 0.00 41.12 39.65 2pn8 n ASP 119 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2pn8 n PHE 120 N -1.85 -0.62 -0.89 1.24 3.72 -1.26 -5.01 117.46 112.80 2pn8 n PHE 120 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2pn8 n PHE 120 Cb 0.48 -3.17 0.00 0.00 -0.94 0.00 0.00 39.48 35.85 2pn8 n PHE 120 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pn8 n THR 121 N -3.75 0.00 0.00 4.37 -2.24 -1.17 -5.13 114.28 106.36 2pn8 n THR 121 Ca -0.18 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2pn8 n THR 121 Cb 0.62 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2pn8 n THR 121 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pn8 n PHE 122 N 0.00 0.00 -0.04 4.78 3.72 -1.26 -4.60 117.46 120.06 2pn8 n PHE 122 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2pn8 n PHE 122 Cb 0.00 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.57 2pn8 n PHE 122 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2pn8 h VAL 123 N -0.03 1.30 -0.46 -4.37 2.07 -1.96 -3.35 116.25 109.45 2pn8 h VAL 123 Ca 0.00 -1.67 0.09 0.00 0.82 0.00 0.00 66.70 65.94 2pn8 h VAL 123 Cb 0.03 1.60 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 2pn8 h VAL 123 CO 0.00 0.53 -0.34 0.00 0.02 0.00 0.00 177.57 177.78 2pn8 h PRO 125 N -0.23 0.54 -0.22 0.00 0.13 -1.82 -1.92 132.00 128.49 2pn8 h PRO 125 Ca 0.19 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 2pn8 h PRO 125 Cb 0.55 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2pn8 h PRO 125 CO -0.59 0.45 -0.05 1.79 -0.23 0.00 0.00 178.00 179.37 2pn8 h THR 126 N 0.54 1.17 -0.01 1.56 1.35 -1.29 0.14 112.91 116.38 2pn8 h THR 126 Ca 0.13 -0.69 -0.19 0.00 -0.55 0.00 0.00 66.41 65.12 2pn8 h THR 126 Cb 0.11 1.06 0.02 0.00 -1.73 0.00 0.00 68.15 67.60 2pn8 h THR 126 CO -0.01 0.23 -0.74 -0.33 -0.25 0.00 0.00 175.52 174.41 2pn8 h GLU 127 N 0.33 0.51 -0.32 4.72 5.08 -0.79 -0.16 114.58 123.95 2pn8 h GLU 127 Ca 0.07 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2pn8 h GLU 127 Cb 0.30 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2pn8 h GLU 127 CO 0.01 1.18 0.13 0.82 -1.00 0.00 0.00 179.01 180.15 2pn8 h ILE 128 N 0.07 1.18 -0.67 3.13 2.04 -1.19 -2.02 117.51 120.05 2pn8 h ILE 128 Ca -0.09 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 2pn8 h ILE 128 Cb 1.43 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2pn8 h ILE 128 CO 0.15 0.20 0.15 0.40 0.00 0.00 0.00 178.15 179.04 2pn8 h ILE 129 N 0.37 1.26 -0.44 -0.67 2.04 -1.02 0.10 117.51 119.14 2pn8 h ILE 129 Ca 0.11 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2pn8 h ILE 129 Cb 0.18 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2pn8 h ILE 129 CO -0.01 0.36 0.25 0.00 0.00 0.00 0.00 178.15 178.75 2pn8 h ALA 130 N 1.15 0.57 -0.29 1.87 0.00 -0.78 0.09 119.26 121.87 2pn8 h ALA 130 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2pn8 h ALA 130 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pn8 h ALA 130 CO 0.00 0.08 -0.14 0.74 0.00 0.00 0.00 179.25 179.93 2pn8 h PHE 131 N 0.58 0.70 -0.66 0.00 0.04 -1.32 -3.15 116.94 113.13 2pn8 h PHE 131 Ca 0.16 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2pn8 h PHE 131 Cb 0.04 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 2pn8 h PHE 131 CO -0.02 0.85 0.23 0.78 -0.60 0.00 0.00 178.31 179.54 2pn8 h GLY 132 N 0.35 1.09 2.00 -1.45 0.00 -0.67 -0.86 103.07 103.53 2pn8 h GLY 132 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2pn8 h GLY 132 CO 0.04 0.59 0.00 1.22 0.00 0.00 0.00 176.54 178.39 2pn8 n ASP 133 N -4.36 0.58 -0.27 0.19 9.92 -0.01 -2.54 116.55 120.06 2pn8 n ASP 133 Ca 0.05 0.60 0.09 0.00 -0.53 0.00 0.00 54.79 55.00 2pn8 n ASP 133 Cb 0.20 -0.74 0.16 0.00 -0.64 0.00 0.00 41.12 40.11 2pn8 n ASP 133 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2pn8 n ARG 134 N -2.09 1.73 -0.23 -1.24 1.74 -0.88 -4.83 116.66 110.86 2pn8 n ARG 134 Ca 0.04 -2.60 0.08 0.00 -0.77 0.00 0.00 57.85 54.60 2pn8 n ARG 134 Cb 0.31 -1.56 0.35 0.00 -1.02 0.00 0.00 32.46 30.53 2pn8 n ARG 134 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pn8 h LEU 135 N 0.44 0.69 -1.72 0.55 5.85 -0.89 -1.28 115.31 118.95 2pn8 h LEU 135 Ca 0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2pn8 h LEU 135 Cb 1.09 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2pn8 h LEU 135 CO 0.05 0.41 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.21 2pn8 h GLU 136 N 0.76 0.00 0.00 1.25 4.39 -1.88 -1.00 114.58 118.10 2pn8 h GLU 136 Ca 0.38 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 2pn8 h GLU 136 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2pn8 h GLU 136 CO -0.15 0.02 -0.16 0.93 -1.16 0.00 0.00 179.01 178.49 2pn8 h GLU 137 N 0.00 0.00 0.00 2.33 5.08 -1.62 -0.84 114.58 119.53 2pn8 h GLU 137 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2pn8 h GLU 137 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2pn8 h GLU 137 CO 0.00 0.16 -0.63 0.74 -1.00 0.00 0.00 179.01 178.28 2pn8 h PHE 138 N 0.00 0.00 -0.19 4.33 -1.00 -1.37 -3.38 116.94 115.33 2pn8 h PHE 138 Ca -0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 2pn8 h PHE 138 Cb 0.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 2pn8 h PHE 138 CO 0.00 0.76 0.13 0.00 -1.61 0.00 0.00 178.31 177.58 2pn8 h ARG 139 N -1.00 0.10 0.00 1.51 3.08 -0.55 0.14 114.38 117.65 2pn8 h ARG 139 Ca -0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2pn8 h ARG 139 Cb 0.83 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2pn8 h ARG 139 CO -0.08 0.06 0.00 0.66 -1.07 0.00 0.00 179.97 179.54 2pn8 h SER 140 N 0.10 0.00 -1.06 7.04 4.64 -1.35 -2.68 113.55 120.24 2pn8 h SER 140 Ca 0.08 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.82 2pn8 h SER 140 Cb 0.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.89 2pn8 h SER 140 CO -0.01 0.00 -0.53 2.30 -0.87 0.00 0.00 176.83 177.72 2pn8 n ILE 141 N -2.30 2.65 -2.97 0.95 -5.35 0.43 -4.96 119.36 107.82 2pn8 n ILE 141 Ca 0.03 -4.30 -0.21 0.00 -0.27 0.00 0.00 62.75 57.99 2pn8 n ILE 141 Cb 0.27 -1.18 0.02 0.00 -1.74 0.00 0.00 39.64 37.00 2pn8 n ILE 141 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2pn8 n ASN 142 N -0.66 -5.29 -4.06 7.28 5.15 -1.01 -4.87 115.26 111.80 2pn8 n ASN 142 Ca 0.45 -0.23 -0.25 0.00 -0.60 0.00 0.00 54.58 53.95 2pn8 n ASN 142 Cb 0.81 -4.32 -0.16 0.00 -0.53 0.00 0.00 39.78 35.57 2pn8 n ASN 142 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2pn8 s THR 143 N -3.04 1.25 0.34 -0.44 2.01 -0.83 -1.70 115.64 113.22 2pn8 s THR 143 Ca 0.26 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.77 2pn8 s THR 143 Cb -0.12 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2pn8 s THR 143 CO 0.32 0.38 0.25 -1.61 -0.69 0.00 0.00 174.62 173.26 2pn8 s GLU 144 N 0.51 2.61 -0.04 4.92 0.41 -0.47 -1.95 118.70 124.68 2pn8 s GLU 144 Ca -0.13 -1.38 0.02 0.00 -0.41 0.00 0.00 54.97 53.08 2pn8 s GLU 144 Cb -0.15 -2.38 0.01 0.00 -1.78 0.00 0.00 34.13 29.83 2pn8 s GLU 144 CO 0.04 0.10 -0.07 0.08 -0.49 0.00 0.00 175.26 174.91 2pn8 s VAL 145 N -2.34 0.73 -0.04 2.63 1.01 -1.26 -0.97 120.40 120.15 2pn8 s VAL 145 Ca 0.40 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2pn8 s VAL 145 Cb -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2pn8 s VAL 145 CO 0.25 0.25 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 2pn8 s VAL 146 N 0.59 1.12 0.12 2.92 1.01 -0.31 -4.22 120.40 121.63 2pn8 s VAL 146 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2pn8 s VAL 146 Cb -0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2pn8 s VAL 146 CO 0.01 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.45 2pn8 s ALA 147 N 0.17 3.26 -0.09 5.51 0.00 -0.77 -0.82 121.76 129.03 2pn8 s ALA 147 Ca -0.04 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 2pn8 s ALA 147 Cb -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.92 2pn8 s ALA 147 CO 0.02 0.62 0.22 0.00 0.00 0.00 0.00 175.76 176.61 2pn8 s SER 149 N 0.71 0.98 0.00 0.00 1.04 -1.00 -0.92 113.70 114.51 2pn8 s SER 149 Ca -0.05 -1.47 0.15 0.00 0.48 0.00 0.00 55.95 55.06 2pn8 s SER 149 Cb -0.06 0.34 0.74 0.00 0.10 0.00 0.00 66.02 67.14 2pn8 s SER 149 CO -0.04 -0.85 1.45 1.33 0.98 0.00 0.00 173.24 176.11 2pn8 n VAL 150 N -0.45 0.67 -1.54 5.02 0.24 -1.26 -0.73 118.33 120.28 2pn8 n VAL 150 Ca 0.02 0.17 -0.32 0.00 -2.04 0.00 0.00 64.34 62.16 2pn8 n VAL 150 Cb 0.65 -0.91 0.07 0.00 -1.47 0.00 0.00 33.84 32.18 2pn8 n VAL 150 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2pn8 s ASP 151 N -2.68 4.83 0.79 -1.34 1.01 -1.26 -3.63 116.67 114.39 2pn8 s ASP 151 Ca 0.13 1.94 -0.11 0.00 0.71 0.00 0.00 52.55 55.22 2pn8 s ASP 151 Cb 0.10 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.56 2pn8 s ASP 151 CO 0.24 -1.82 1.09 -0.94 0.21 0.00 0.00 175.17 173.95 2pn8 s SER 152 N -2.89 4.45 0.50 0.27 1.04 -1.26 -3.84 113.70 111.96 2pn8 s SER 152 Ca 0.65 1.60 0.21 0.00 0.48 0.00 0.00 55.95 58.88 2pn8 s SER 152 Cb -0.19 -2.34 1.29 0.00 0.10 0.00 0.00 66.02 64.88 2pn8 s SER 152 CO 0.47 -2.04 2.08 0.06 0.98 0.00 0.00 173.24 174.79 2pn8 h GLN 153 N -1.13 0.00 -0.33 4.02 -0.00 -1.93 -1.28 115.11 114.45 2pn8 h GLN 153 Ca -0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.04 2pn8 h GLN 153 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2pn8 h GLN 153 CO 0.55 0.11 -0.38 0.74 -0.00 0.00 0.00 178.83 179.86 2pn8 h PHE 154 N 0.00 1.01 -0.31 0.06 0.04 -1.99 -1.60 116.94 114.16 2pn8 h PHE 154 Ca -0.00 -0.32 -0.07 0.00 2.80 0.00 0.00 57.97 60.38 2pn8 h PHE 154 Cb 0.23 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2pn8 h PHE 154 CO 0.00 1.12 -0.08 1.15 -0.60 0.00 0.00 178.31 179.89 2pn8 h THR 155 N 0.62 1.28 -0.44 -1.55 2.02 -1.87 -0.46 112.91 112.51 2pn8 h THR 155 Ca 0.05 -1.13 0.09 0.00 0.77 0.00 0.00 66.41 66.18 2pn8 h THR 155 Cb 0.97 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 68.67 2pn8 h THR 155 CO 0.09 0.36 -0.13 0.45 0.37 0.00 0.00 175.52 176.66 2pn8 h HIS 156 N 0.37 -0.29 -0.53 3.16 3.86 -1.17 0.25 115.15 120.80 2pn8 h HIS 156 Ca 0.08 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2pn8 h HIS 156 Cb 0.58 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 2pn8 h HIS 156 CO 0.05 -0.21 0.17 1.25 0.86 0.00 0.00 177.93 180.05 2pn8 h LEU 157 N -0.03 0.78 -1.33 2.43 5.85 -1.08 -0.62 115.31 121.30 2pn8 h LEU 157 Ca 0.21 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2pn8 h LEU 157 Cb 0.35 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2pn8 h LEU 157 CO -0.46 0.78 0.48 0.00 -0.34 0.00 0.00 178.44 178.89 2pn8 h ALA 158 N 1.03 1.60 -0.24 1.25 0.00 -0.62 -0.68 119.26 121.60 2pn8 h ALA 158 Ca 0.17 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2pn8 h ALA 158 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pn8 h ALA 158 CO -0.01 0.31 -0.54 2.35 0.00 0.00 0.00 179.25 181.37 2pn8 h TRP 159 N 0.85 1.01 -0.71 0.00 7.01 -0.41 -2.68 115.95 121.02 2pn8 h TRP 159 Ca 0.29 -0.38 0.02 0.00 2.11 0.00 0.00 58.89 60.94 2pn8 h TRP 159 Cb 0.10 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 2pn8 h TRP 159 CO -0.00 1.19 0.45 0.82 -2.79 0.00 0.00 178.44 178.11 2pn8 h ILE 160 N 0.54 1.13 0.00 2.65 2.04 -0.91 -2.11 117.51 120.85 2pn8 h ILE 160 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2pn8 h ILE 160 Cb 1.15 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2pn8 h ILE 160 CO 0.12 0.16 0.00 0.59 0.00 0.00 0.00 178.15 179.02 2pn8 n ASN 161 N -4.64 0.00 -4.61 1.72 3.02 -0.28 -2.33 115.26 108.14 2pn8 n ASN 161 Ca 0.07 -1.48 -0.34 0.00 -0.03 0.00 0.00 54.58 52.79 2pn8 n ASN 161 Cb 0.06 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.13 2pn8 n ASN 161 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2pn8 s THR 162 N -2.00 4.65 0.49 3.41 2.01 -0.86 -4.99 115.64 118.35 2pn8 s THR 162 Ca 0.03 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.72 2pn8 s THR 162 Cb 0.01 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 2pn8 s THR 162 CO 0.02 0.46 1.14 -2.65 -0.69 0.00 0.00 174.62 172.90 2pn8 n PRO 163 N 3.59 1.48 -0.21 4.92 -0.02 -1.26 -2.37 135.00 141.13 2pn8 n PRO 163 Ca -0.17 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.00 2pn8 n PRO 163 Cb 0.52 -2.27 0.46 0.00 -0.02 0.00 0.00 33.50 32.20 2pn8 n PRO 163 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pn8 h ARG 164 N 1.44 0.49 0.00 -0.52 3.08 -1.85 -0.84 114.38 116.17 2pn8 h ARG 164 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pn8 h ARG 164 Cb 1.32 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2pn8 h ARG 164 CO 0.56 0.32 0.00 0.54 -1.07 0.00 0.00 179.97 180.33 2pn8 n ARG 165 N -4.51 0.12 -0.31 0.04 1.74 -1.26 -1.01 116.66 111.46 2pn8 n ARG 165 Ca 0.16 0.32 0.10 0.00 -0.77 0.00 0.00 57.85 57.66 2pn8 n ARG 165 Cb 0.54 -1.71 0.27 0.00 -1.02 0.00 0.00 32.46 30.55 2pn8 n ARG 165 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pn8 n GLN 166 N -1.92 2.77 -0.65 5.56 6.02 -0.66 -4.95 117.38 123.55 2pn8 n GLN 166 Ca 0.03 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.54 2pn8 n GLN 166 Cb 0.23 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2pn8 n GLN 166 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pn8 n GLY 167 N 1.31 0.62 2.34 1.08 0.00 -0.18 -4.98 105.19 105.38 2pn8 n GLY 167 Ca 0.21 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 2pn8 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn8 n GLY 168 N -2.65 0.12 0.08 -0.02 0.00 -0.41 -4.76 105.19 97.55 2pn8 n GLY 168 Ca 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 2pn8 n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pn8 n LEU 169 N 0.00 0.05 0.00 0.99 4.77 -0.85 -4.03 117.00 117.93 2pn8 n LEU 169 Ca 0.10 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2pn8 n LEU 169 Cb 0.35 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 2pn8 n LEU 169 CO 0.24 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2pn8 n GLY 170 N 1.65 -0.82 3.75 -0.72 0.00 -0.99 -4.73 105.19 103.32 2pn8 n GLY 170 Ca -0.27 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2pn8 n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pn8 n PRO 171 N -1.63 2.56 -3.84 1.61 -0.02 -1.26 -4.66 135.00 127.75 2pn8 n PRO 171 Ca 0.00 0.90 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2pn8 n PRO 171 Cb 0.00 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 30.72 2pn8 n PRO 171 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2pn8 s ILE 172 N -0.65 -0.01 -2.16 4.25 1.10 -1.26 -5.05 121.20 117.42 2pn8 s ILE 172 Ca 0.58 0.02 0.22 0.00 -0.51 0.00 0.00 60.65 60.97 2pn8 s ILE 172 Cb -0.51 -0.08 0.02 0.00 0.15 0.00 0.00 42.46 42.04 2pn8 s ILE 172 CO 0.57 0.01 1.10 0.54 -2.11 0.00 0.00 174.94 175.05 2pn8 n ARG 173 N 3.18 1.41 -3.14 3.50 1.74 -1.26 -4.50 116.66 117.60 2pn8 n ARG 173 Ca -0.14 -1.14 -0.39 0.00 -0.77 0.00 0.00 57.85 55.40 2pn8 n ARG 173 Cb 0.59 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 2pn8 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pn8 s ILE 174 N -2.36 5.08 0.31 0.55 1.01 -1.26 -4.92 121.20 119.61 2pn8 s ILE 174 Ca 0.20 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.80 2pn8 s ILE 174 Cb 0.18 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 2pn8 s ILE 174 CO 0.52 0.23 1.53 -2.65 0.00 0.00 0.00 174.94 174.57 2pn8 n PRO 175 N 4.10 2.60 -3.54 2.79 -0.02 -1.26 -4.86 135.00 134.81 2pn8 n PRO 175 Ca -0.03 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 2pn8 n PRO 175 Cb 0.51 -2.67 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 2pn8 n PRO 175 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pn8 s LEU 176 N -0.85 5.42 0.16 2.45 1.43 -0.91 -1.84 118.68 124.54 2pn8 s LEU 176 Ca 0.61 -1.59 -0.27 0.00 -1.03 0.00 0.00 54.13 51.85 2pn8 s LEU 176 Cb -0.51 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.60 2pn8 s LEU 176 CO 0.53 -0.61 0.85 -0.22 0.23 0.00 0.00 176.35 177.13 2pn8 s LEU 177 N 1.46 4.57 -0.15 1.79 2.96 0.83 -0.89 118.68 129.24 2pn8 s LEU 177 Ca 0.04 1.72 -0.10 0.00 -0.22 0.00 0.00 54.13 55.57 2pn8 s LEU 177 Cb -0.24 -3.42 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2pn8 s LEU 177 CO 0.02 0.12 0.17 -0.55 -1.32 0.00 0.00 176.35 174.78 2pn8 s SER 178 N -0.77 6.34 -0.50 3.68 0.15 0.11 -2.37 113.70 120.34 2pn8 s SER 178 Ca 0.40 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.50 2pn8 s SER 178 Cb -0.23 -2.10 0.38 0.00 -1.71 0.00 0.00 66.02 62.35 2pn8 s SER 178 CO 0.28 0.27 0.99 -0.67 1.20 0.00 0.00 173.24 175.30 2pn8 n ASP 179 N 2.84 4.04 -0.30 5.45 2.03 0.09 -4.42 116.55 126.29 2pn8 n ASP 179 Ca -0.17 -3.58 0.05 0.00 0.52 0.00 0.00 54.79 51.61 2pn8 n ASP 179 Cb 0.53 -0.53 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 2pn8 n ASP 179 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2pn8 h LEU 180 N 2.84 0.89 -0.63 -2.67 3.38 -1.78 -1.21 115.31 116.13 2pn8 h LEU 180 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pn8 h LEU 180 Cb 0.73 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2pn8 h LEU 180 CO 0.78 0.56 0.00 0.71 0.09 0.00 0.00 178.44 180.58 2pn8 h THR 181 N 1.00 0.00 0.00 0.22 1.35 -1.91 -3.47 112.91 110.10 2pn8 h THR 181 Ca 0.40 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2pn8 h THR 181 Cb 0.25 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2pn8 h THR 181 CO -0.16 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.52 2pn8 n HIS 182 N -2.43 0.00 -0.11 4.73 8.25 -0.46 -4.91 115.22 120.29 2pn8 n HIS 182 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2pn8 n HIS 182 Cb 0.30 -0.39 0.14 0.00 1.12 0.00 0.00 29.99 31.17 2pn8 n HIS 182 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2pn8 h GLN 183 N 1.95 0.81 -0.10 -0.41 5.75 -1.90 -0.49 115.11 120.72 2pn8 h GLN 183 Ca 0.00 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 2pn8 h GLN 183 Cb 0.05 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 2pn8 h GLN 183 CO 0.00 0.83 -0.06 0.82 -2.65 0.00 0.00 178.83 177.76 2pn8 h ILE 184 N 0.75 1.34 -0.58 2.39 2.04 -1.91 -0.59 117.51 120.96 2pn8 h ILE 184 Ca 0.14 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.90 2pn8 h ILE 184 Cb 0.49 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2pn8 h ILE 184 CO 0.02 0.32 0.31 0.28 0.00 0.00 0.00 178.15 179.09 2pn8 h SER 185 N -0.17 0.46 -0.72 1.72 0.02 -1.88 -1.69 113.55 111.29 2pn8 h SER 185 Ca 0.02 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2pn8 h SER 185 Cb 0.54 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2pn8 h SER 185 CO 0.02 0.31 0.24 0.11 -1.14 0.00 0.00 176.83 176.37 2pn8 h LYS 186 N 0.60 1.12 -0.00 3.45 1.57 -1.03 -1.15 116.57 121.12 2pn8 h LYS 186 Ca 0.25 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2pn8 h LYS 186 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2pn8 h LYS 186 CO -0.16 0.95 -0.19 -0.44 -0.57 0.00 0.00 179.45 179.04 2pn8 h ASP 187 N 1.08 0.00 -0.00 0.86 3.32 -0.53 -1.98 116.42 119.17 2pn8 h ASP 187 Ca 0.24 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2pn8 h ASP 187 Cb 0.29 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2pn8 h ASP 187 CO -0.01 0.19 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.45 2pn8 n TYR 188 N -4.31 0.00 -1.76 4.55 4.02 -0.69 -4.85 117.16 114.12 2pn8 n TYR 188 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.76 2pn8 n TYR 188 Cb 0.25 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 2pn8 n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pn8 n GLY 189 N 1.25 0.54 0.27 2.72 0.00 -0.55 -4.91 105.19 104.51 2pn8 n GLY 189 Ca 0.17 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.71 2pn8 n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pn8 n VAL 190 N -3.38 0.25 -2.85 1.61 0.24 -0.56 -5.00 118.33 108.65 2pn8 n VAL 190 Ca -0.11 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.34 61.15 2pn8 n VAL 190 Cb 0.47 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 2pn8 n VAL 190 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pn8 s TYR 191 N -0.63 3.68 -0.46 6.34 5.04 -1.21 -1.55 117.35 128.56 2pn8 s TYR 191 Ca 0.08 1.57 -0.16 0.00 -2.44 0.00 0.00 57.07 56.12 2pn8 s TYR 191 Cb 0.05 -2.97 0.06 0.00 0.35 0.00 0.00 41.96 39.45 2pn8 s TYR 191 CO 0.08 0.11 0.44 -0.51 -1.34 0.00 0.00 175.55 174.32 2pn8 s LEU 192 N 0.57 5.32 0.39 6.97 1.43 -0.04 -4.94 118.68 128.37 2pn8 s LEU 192 Ca 0.45 -1.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 2pn8 s LEU 192 Cb -0.21 -2.26 0.77 0.00 0.03 0.00 0.00 46.19 44.52 2pn8 s LEU 192 CO 0.25 -0.66 2.03 -0.33 0.23 0.00 0.00 176.35 177.86 2pn8 h GLU 193 N 8.79 0.61 0.00 1.70 4.39 -1.96 0.17 114.58 128.28 2pn8 h GLU 193 Ca -0.28 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 2pn8 h GLU 193 Cb 1.11 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2pn8 h GLU 193 CO 0.87 0.43 -0.48 0.38 -1.16 0.00 0.00 179.01 179.05 2pn8 h ASP 194 N 0.62 0.00 0.00 1.42 2.03 -1.95 -3.35 116.42 115.19 2pn8 h ASP 194 Ca 0.16 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.23 2pn8 h ASP 194 Cb -0.02 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.43 2pn8 h ASP 194 CO -0.03 0.48 -2.12 -1.20 -1.03 0.00 0.00 179.24 175.33 2pn8 n SER 195 N -3.58 0.61 -0.46 4.15 7.64 -0.68 -5.01 113.62 116.29 2pn8 n SER 195 Ca -0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2pn8 n SER 195 Cb 0.57 1.21 -0.01 0.00 -1.01 0.00 0.00 64.21 64.97 2pn8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pn8 n GLY 196 N 1.76 0.41 3.68 0.23 0.00 -0.04 -5.02 105.19 106.21 2pn8 n GLY 196 Ca -0.22 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2pn8 n GLY 196 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pn8 s HIS 197 N -2.21 0.46 0.56 1.61 -3.43 -1.25 -4.95 115.29 106.08 2pn8 s HIS 197 Ca 0.00 -0.93 -0.06 0.00 -0.80 0.00 0.00 55.06 53.26 2pn8 s HIS 197 Cb 0.00 0.45 -0.01 0.00 -1.43 0.00 0.00 32.58 31.59 2pn8 s HIS 197 CO 0.00 -1.35 0.88 0.95 -2.00 0.00 0.00 174.74 173.22 2pn8 s THR 198 N -2.82 4.15 0.39 -5.38 -4.23 -1.26 -0.87 115.64 105.63 2pn8 s THR 198 Ca 0.21 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2pn8 s THR 198 Cb -0.03 -3.63 0.09 0.00 1.34 0.00 0.00 72.50 70.27 2pn8 s THR 198 CO 0.14 -0.66 0.54 0.00 -0.54 0.00 0.00 174.62 174.10 2pn8 n LEU 199 N -2.51 0.00 -4.48 4.79 -0.00 -0.59 -3.95 117.00 110.26 2pn8 n LEU 199 Ca 0.03 -0.72 -0.44 0.00 -0.00 0.00 0.00 56.01 54.89 2pn8 n LEU 199 Cb 0.56 -0.40 -0.00 0.00 -0.00 0.00 0.00 43.42 43.59 2pn8 n LEU 199 CO 0.54 -0.85 1.43 -0.13 -0.00 0.00 0.00 177.39 178.38 2pn8 s ARG 200 N -4.06 4.03 -0.24 1.47 0.52 -0.94 -4.26 118.95 115.47 2pn8 s ARG 200 Ca 0.32 -2.41 -0.08 0.00 -0.52 0.00 0.00 55.73 53.03 2pn8 s ARG 200 Cb -0.01 -5.12 -0.04 0.00 0.52 0.00 0.00 34.95 30.31 2pn8 s ARG 200 CO 0.22 -1.84 0.09 0.20 0.02 0.00 0.00 175.30 173.99 2pn8 s GLY 201 N 3.11 1.83 -0.01 -3.53 0.00 -1.19 -1.02 107.32 106.52 2pn8 s GLY 201 Ca 0.43 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 44.21 2pn8 s GLY 201 CO 0.00 0.42 -0.25 -2.27 0.00 0.00 0.00 173.10 171.00 2pn8 s LEU 202 N 1.30 2.06 -0.05 0.66 0.20 0.90 -0.04 118.68 123.71 2pn8 s LEU 202 Ca 0.05 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.42 2pn8 s LEU 202 Cb -0.15 -1.28 0.02 0.00 -0.43 0.00 0.00 46.19 44.34 2pn8 s LEU 202 CO 0.04 0.30 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.96 2pn8 s PHE 203 N -0.62 1.03 -0.26 5.38 0.08 0.09 -0.65 117.98 123.03 2pn8 s PHE 203 Ca 0.10 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 2pn8 s PHE 203 Cb -0.10 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 2pn8 s PHE 203 CO -0.01 -0.20 0.05 0.42 -0.10 0.00 0.00 175.22 175.38 2pn8 s ILE 204 N 0.68 3.98 -0.12 0.64 1.01 -0.56 -0.86 121.20 125.97 2pn8 s ILE 204 Ca -0.11 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2pn8 s ILE 204 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2pn8 s ILE 204 CO 0.02 0.27 -0.18 -0.63 0.00 0.00 0.00 174.94 174.42 2pn8 s ILE 205 N 1.55 2.58 1.00 2.92 1.01 0.17 -0.40 121.20 130.03 2pn8 s ILE 205 Ca 0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2pn8 s ILE 205 Cb -0.16 -2.05 0.20 0.00 0.01 0.00 0.00 42.46 40.46 2pn8 s ILE 205 CO 0.02 0.54 1.24 1.51 0.00 0.00 0.00 174.94 178.24 2pn8 s ASP 206 N 0.44 2.77 0.38 3.58 1.47 -0.16 -0.37 116.67 124.78 2pn8 s ASP 206 Ca -0.13 0.48 0.27 0.00 1.18 0.00 0.00 52.55 54.35 2pn8 s ASP 206 Cb -0.17 -0.68 1.35 0.00 -0.34 0.00 0.00 42.92 43.09 2pn8 s ASP 206 CO 0.06 -2.97 1.82 -2.24 0.68 0.00 0.00 175.17 172.52 2pn8 h ASP 207 N -1.80 0.00 -0.14 2.11 2.03 -1.88 -0.72 116.42 116.03 2pn8 h ASP 207 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2pn8 h ASP 207 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2pn8 h ASP 207 CO 0.42 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.92 2pn8 n LYS 208 N -2.46 2.09 -0.75 4.15 5.02 -1.26 -0.66 118.16 124.29 2pn8 n LYS 208 Ca -0.01 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2pn8 n LYS 208 Cb 0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2pn8 n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pn8 n GLY 209 N 1.30 0.63 3.81 0.72 0.00 -0.27 -5.02 105.19 106.35 2pn8 n GLY 209 Ca 0.17 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2pn8 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pn8 s ILE 210 N -2.00 4.95 -0.12 -0.61 -1.09 -1.26 -0.71 121.20 120.37 2pn8 s ILE 210 Ca 0.00 0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 59.12 2pn8 s ILE 210 Cb 0.00 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 2pn8 s ILE 210 CO 0.00 0.53 1.08 -0.22 -1.23 0.00 0.00 174.94 175.10 2pn8 s LEU 211 N -0.82 4.23 -0.08 2.97 2.96 -0.18 -0.99 118.68 126.77 2pn8 s LEU 211 Ca 0.26 1.59 0.11 0.00 -0.22 0.00 0.00 54.13 55.86 2pn8 s LEU 211 Cb -0.17 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 2pn8 s LEU 211 CO 0.15 -0.53 0.11 0.54 -1.32 0.00 0.00 176.35 175.30 2pn8 n ARG 212 N 5.36 1.59 -3.68 1.98 5.12 0.47 -4.61 116.66 122.88 2pn8 n ARG 212 Ca 0.10 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.85 2pn8 n ARG 212 Cb 0.47 -1.29 -0.09 0.00 -1.16 0.00 0.00 32.46 30.40 2pn8 n ARG 212 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2pn8 s GLN 213 N -2.46 0.65 -0.08 5.56 -0.44 -1.13 -4.98 119.66 116.79 2pn8 s GLN 213 Ca -0.05 0.71 0.01 0.00 -2.50 0.00 0.00 55.36 53.53 2pn8 s GLN 213 Cb 0.05 0.32 0.02 0.00 -1.64 0.00 0.00 33.01 31.75 2pn8 s GLN 213 CO 0.48 -0.09 -0.09 0.42 0.50 0.00 0.00 175.29 176.51 2pn8 s ILE 214 N 0.19 1.01 -0.19 -2.34 1.01 -1.26 -1.50 121.20 118.13 2pn8 s ILE 214 Ca -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2pn8 s ILE 214 Cb -0.04 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.49 2pn8 s ILE 214 CO 0.01 0.34 -0.14 -0.89 0.00 0.00 0.00 174.94 174.27 2pn8 s THR 215 N 1.12 1.80 -0.22 2.92 2.01 0.18 -4.99 115.64 118.45 2pn8 s THR 215 Ca -0.06 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2pn8 s THR 215 Cb -0.14 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.64 2pn8 s THR 215 CO -0.01 0.32 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.33 2pn8 s LEU 216 N 1.35 2.79 -0.05 4.42 1.43 -1.26 -0.07 118.68 127.30 2pn8 s LEU 216 Ca 0.01 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2pn8 s LEU 216 Cb -0.15 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2pn8 s LEU 216 CO -0.10 -0.09 -0.00 0.20 0.23 0.00 0.00 176.35 176.59 2pn8 s ASN 217 N 1.22 5.14 0.90 2.29 -0.87 -0.18 -5.01 114.94 118.44 2pn8 s ASN 217 Ca -0.01 0.08 -0.10 0.00 -1.57 0.00 0.00 52.86 51.25 2pn8 s ASN 217 Cb -0.16 -1.40 0.14 0.00 -0.02 0.00 0.00 41.25 39.80 2pn8 s ASN 217 CO -0.09 0.34 1.12 -0.62 -2.57 0.00 0.00 177.10 175.29 2pn8 s ASP 218 N -1.12 3.16 0.32 -1.22 2.15 -1.26 -2.22 116.67 116.49 2pn8 s ASP 218 Ca 0.15 2.00 0.03 0.00 0.43 0.00 0.00 52.55 55.17 2pn8 s ASP 218 Cb -0.11 -2.51 0.62 0.00 -0.30 0.00 0.00 42.92 40.62 2pn8 s ASP 218 CO 0.05 -2.92 1.90 -0.07 -0.17 0.00 0.00 175.17 173.97 2pn8 h LEU 219 N -1.74 0.82 0.00 -1.34 3.38 -1.97 -3.05 115.31 111.41 2pn8 h LEU 219 Ca -0.45 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2pn8 h LEU 219 Cb 1.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pn8 h LEU 219 CO 0.45 0.50 0.00 -0.81 0.09 0.00 0.00 178.44 178.67 2pn8 n PRO 220 N -4.51 0.75 -3.92 1.13 -0.04 -1.26 -4.75 135.00 122.40 2pn8 n PRO 220 Ca 0.14 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.33 2pn8 n PRO 220 Cb 0.27 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.07 2pn8 n PRO 220 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pn8 s VAL 221 N -2.19 1.20 0.73 0.52 1.01 -1.15 -5.03 120.40 115.48 2pn8 s VAL 221 Ca 0.39 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 2pn8 s VAL 221 Cb 0.20 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2pn8 s VAL 221 CO 0.37 0.25 1.09 -0.83 0.00 0.00 0.00 175.10 175.98 2pn8 s GLY 222 N 1.61 1.79 0.91 4.51 0.00 -1.26 -4.74 107.32 110.14 2pn8 s GLY 222 Ca 0.02 0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.92 2pn8 s GLY 222 CO -0.08 0.63 1.24 0.50 0.00 0.00 0.00 173.10 175.39 2pn8 s ARG 223 N -4.74 0.78 -0.14 2.90 0.52 -1.26 -5.09 118.95 111.93 2pn8 s ARG 223 Ca 0.62 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 2pn8 s ARG 223 Cb -0.17 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.33 2pn8 s ARG 223 CO 0.52 -2.23 -0.20 0.45 0.02 0.00 0.00 175.30 173.86 2pn8 s SER 224 N -4.89 2.95 0.14 0.23 0.15 -1.26 -5.01 113.70 106.02 2pn8 s SER 224 Ca 0.73 -0.57 -0.10 0.00 0.70 0.00 0.00 55.95 56.71 2pn8 s SER 224 Cb -0.03 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.88 2pn8 s SER 224 CO 0.51 0.05 1.46 0.58 1.20 0.00 0.00 173.24 177.04 2pn8 h VAL 225 N 5.88 1.27 -0.31 4.45 2.07 -1.98 -2.30 116.25 125.34 2pn8 h VAL 225 Ca -0.34 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 65.62 2pn8 h VAL 225 Cb 1.18 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 2pn8 h VAL 225 CO 0.55 0.54 -0.12 0.44 0.02 0.00 0.00 177.57 178.99 2pn8 h ASP 226 N 0.71 -0.42 -0.46 0.57 3.32 -1.99 -0.38 116.42 117.77 2pn8 h ASP 226 Ca 0.04 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2pn8 h ASP 226 Cb 1.04 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2pn8 h ASP 226 CO 0.10 -0.16 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.32 2pn8 h GLU 227 N -0.07 0.91 -0.36 3.56 4.57 -1.97 -1.67 114.58 119.55 2pn8 h GLU 227 Ca 0.16 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2pn8 h GLU 227 Cb 0.30 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2pn8 h GLU 227 CO -0.35 0.94 0.10 1.15 -1.18 0.00 0.00 179.01 179.67 2pn8 h THR 228 N 0.82 1.22 -0.31 0.32 2.02 -1.06 -1.13 112.91 114.79 2pn8 h THR 228 Ca 0.14 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.64 2pn8 h THR 228 Cb 0.58 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2pn8 h THR 228 CO 0.04 0.25 0.12 0.25 0.37 0.00 0.00 175.52 176.54 2pn8 h LEU 229 N 0.43 0.14 -0.53 2.58 5.85 -0.95 -0.43 115.31 122.39 2pn8 h LEU 229 Ca 0.11 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2pn8 h LEU 229 Cb 0.27 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2pn8 h LEU 229 CO -0.00 0.11 0.27 -0.09 -0.34 0.00 0.00 178.44 178.39 2pn8 h ARG 230 N 0.26 0.50 -0.16 1.25 2.43 -1.01 0.18 114.38 117.82 2pn8 h ARG 230 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2pn8 h ARG 230 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2pn8 h ARG 230 CO -0.13 0.33 0.06 -0.07 -1.51 0.00 0.00 179.97 178.65 2pn8 h LEU 231 N 0.52 0.23 -0.46 3.80 3.38 -0.93 0.68 115.31 122.52 2pn8 h LEU 231 Ca 0.24 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2pn8 h LEU 231 Cb 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2pn8 h LEU 231 CO -0.17 0.36 0.17 0.58 0.09 0.00 0.00 178.44 179.47 2pn8 h VAL 232 N 0.09 0.86 -0.44 1.22 2.07 -0.76 -0.06 116.25 119.22 2pn8 h VAL 232 Ca 0.05 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2pn8 h VAL 232 Cb 0.21 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2pn8 h VAL 232 CO -0.00 0.06 0.20 1.56 0.02 0.00 0.00 177.57 179.41 2pn8 h GLN 233 N 0.34 0.39 -0.22 1.57 4.20 -0.68 -1.48 115.11 119.24 2pn8 h GLN 233 Ca 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2pn8 h GLN 233 Cb 0.21 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2pn8 h GLN 233 CO -0.22 0.26 0.11 0.00 -0.67 0.00 0.00 178.83 178.31 2pn8 h ALA 234 N 1.25 0.29 -0.73 3.87 0.00 -0.37 -1.29 119.26 122.28 2pn8 h ALA 234 Ca 0.20 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2pn8 h ALA 234 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2pn8 h ALA 234 CO -0.16 -0.17 0.20 0.74 0.00 0.00 0.00 179.25 179.87 2pn8 h PHE 235 N 0.24 1.20 -0.60 0.00 0.04 -0.80 -0.81 116.94 116.21 2pn8 h PHE 235 Ca 0.08 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 2pn8 h PHE 235 Cb 0.10 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 2pn8 h PHE 235 CO -0.03 0.96 0.12 1.96 -0.60 0.00 0.00 178.31 180.73 2pn8 h GLN 236 N 1.10 0.95 0.04 1.51 4.20 -1.17 -0.10 115.11 121.64 2pn8 h GLN 236 Ca 0.23 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2pn8 h GLN 236 Cb 0.34 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2pn8 h GLN 236 CO -0.00 0.86 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.08 2pn8 h TYR 237 N 0.90 -0.05 -0.34 2.96 5.03 -0.82 -2.08 116.97 122.58 2pn8 h TYR 237 Ca 0.19 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.44 2pn8 h TYR 237 Cb 0.36 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2pn8 h TYR 237 CO 0.02 0.23 -0.03 1.79 -1.32 0.00 0.00 178.16 178.85 2pn8 h THR 238 N -0.32 1.21 -0.78 1.81 1.35 -1.05 -0.40 112.91 114.72 2pn8 h THR 238 Ca -0.01 -0.86 0.06 0.00 -0.55 0.00 0.00 66.41 65.06 2pn8 h THR 238 Cb 0.29 0.99 -0.06 0.00 -1.73 0.00 0.00 68.15 67.64 2pn8 h THR 238 CO 0.01 0.29 0.46 0.44 -0.25 0.00 0.00 175.52 176.47 2pn8 h ASP 239 N 0.51 0.71 0.70 5.36 3.32 -0.88 -0.54 116.42 125.61 2pn8 h ASP 239 Ca 0.11 0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.92 2pn8 h ASP 239 Cb 0.38 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2pn8 h ASP 239 CO 0.02 0.45 -1.21 0.50 -1.72 0.00 0.00 179.24 177.28 2pn8 h LYS 240 N 0.84 0.21 0.00 3.56 3.64 -0.66 -3.40 116.57 120.76 2pn8 h LYS 240 Ca 0.35 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2pn8 h LYS 240 Cb 0.20 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2pn8 h LYS 240 CO -0.19 1.16 -1.45 0.72 -2.27 0.00 0.00 179.45 177.43 2pn8 n HIS 241 N -3.48 0.00 0.00 1.91 8.25 -0.23 -5.00 115.22 116.67 2pn8 n HIS 241 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2pn8 n HIS 241 Cb 1.01 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.85 2pn8 n HIS 241 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pn8 n GLY 242 N 2.18 2.76 3.77 -1.41 0.00 -0.22 -4.99 105.19 107.28 2pn8 n GLY 242 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2pn8 n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn8 s GLU 243 N 0.00 2.01 0.21 1.61 2.02 -1.26 -4.63 118.70 118.66 2pn8 s GLU 243 Ca 0.00 0.85 0.10 0.00 0.02 0.00 0.00 54.97 55.94 2pn8 s GLU 243 Cb 0.00 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 2pn8 s GLU 243 CO 0.00 -1.73 -0.12 0.14 0.02 0.00 0.00 175.26 173.57 2pn8 s VAL 244 N -3.02 2.99 -0.33 2.63 -7.23 0.23 -4.47 120.40 111.19 2pn8 s VAL 244 Ca 0.61 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.80 2pn8 s VAL 244 Cb -0.16 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2pn8 s VAL 244 CO 0.56 -0.20 0.18 0.00 -0.31 0.00 0.00 175.10 175.33 2pn8 n PRO 246 N 5.00 -1.79 -1.55 0.00 -0.02 -1.26 -4.85 135.00 130.53 2pn8 n PRO 246 Ca -0.13 -0.49 -0.51 0.00 -2.02 0.00 0.00 63.50 60.35 2pn8 n PRO 246 Cb 0.48 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2pn8 n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pn8 n ALA 247 N -4.66 -1.50 -0.96 3.55 0.00 -1.26 -2.01 120.51 113.67 2pn8 n ALA 247 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2pn8 n ALA 247 Cb 0.55 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2pn8 n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn8 n GLY 248 N 2.01 0.38 3.61 0.00 0.00 -1.26 -4.96 105.19 104.98 2pn8 n GLY 248 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 2pn8 n GLY 248 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2pn8 n TRP 249 N -2.48 1.57 -4.25 1.61 -0.00 -0.85 -5.02 117.44 108.02 2pn8 n TRP 249 Ca 0.00 0.61 -0.14 0.00 -0.00 0.00 0.00 57.50 57.96 2pn8 n TRP 249 Cb 0.15 -2.33 -0.10 0.00 -0.00 0.00 0.00 31.31 29.02 2pn8 n TRP 249 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2pn8 s LYS 250 N -0.55 1.08 0.10 5.87 1.02 -1.26 -4.95 119.74 121.06 2pn8 s LYS 250 Ca 0.70 -1.48 -0.36 0.00 0.02 0.00 0.00 55.97 54.84 2pn8 s LYS 250 Cb -0.77 -0.54 -0.16 0.00 -0.52 0.00 0.00 37.83 35.84 2pn8 s LYS 250 CO 0.52 0.02 1.36 -2.30 -0.92 0.00 0.00 175.35 174.03 2pn8 n PRO 251 N -0.22 1.30 0.00 -1.68 -0.02 -1.26 -0.69 135.00 132.43 2pn8 n PRO 251 Ca -0.09 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2pn8 n PRO 251 Cb 0.61 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2pn8 n PRO 251 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pn8 n GLY 252 N 2.61 1.86 3.86 -1.23 0.00 -1.26 -5.08 105.19 105.95 2pn8 n GLY 252 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2pn8 n GLY 252 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pn8 s SER 253 N -1.52 6.03 0.49 1.61 0.01 0.13 -5.03 113.70 115.43 2pn8 s SER 253 Ca 0.00 1.47 -0.22 0.00 1.31 0.00 0.00 55.95 58.51 2pn8 s SER 253 Cb 0.00 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 2pn8 s SER 253 CO 0.00 -1.00 1.17 -1.61 0.41 0.00 0.00 173.24 172.21 2pn8 s GLU 254 N -5.12 3.58 0.37 12.44 0.41 -1.26 -4.95 118.70 124.18 2pn8 s GLU 254 Ca 0.56 1.78 0.05 0.00 -0.41 0.00 0.00 54.97 56.94 2pn8 s GLU 254 Cb -0.12 -2.28 -0.07 0.00 -1.78 0.00 0.00 34.13 29.89 2pn8 s GLU 254 CO 0.54 -0.70 0.04 0.95 -0.49 0.00 0.00 175.26 175.60 2pn8 s THR 255 N -1.58 1.49 -0.04 3.63 -4.23 -1.26 -4.46 115.64 109.18 2pn8 s THR 255 Ca 0.67 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.25 2pn8 s THR 255 Cb -0.29 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 2pn8 s THR 255 CO 0.34 0.00 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.54 2pn8 s ILE 256 N -3.03 2.13 -0.30 2.99 1.01 -0.53 -4.73 121.20 118.73 2pn8 s ILE 256 Ca 0.33 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 2pn8 s ILE 256 Cb 0.09 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2pn8 s ILE 256 CO 0.16 0.57 0.97 -0.63 0.00 0.00 0.00 174.94 176.01 2pn8 s ILE 257 N -0.36 4.63 -1.46 2.92 1.01 -1.26 -0.60 121.20 126.08 2pn8 s ILE 257 Ca 0.03 1.59 -0.11 0.00 0.00 0.00 0.00 60.65 62.16 2pn8 s ILE 257 Cb -0.12 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 2pn8 s ILE 257 CO 0.02 -0.36 2.64 -0.81 0.00 0.00 0.00 174.94 176.43 2pn8 n PRO 258 N 6.56 3.20 -3.83 2.79 -0.04 -1.26 -2.27 135.00 140.16 2pn8 n PRO 258 Ca 0.09 -2.18 -0.12 0.00 -0.04 0.00 0.00 63.50 61.25 2pn8 n PRO 258 Cb 0.47 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 30.95 2pn8 n PRO 258 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2pn8 s ASP 259 N 2.70 -0.10 0.56 3.54 -1.08 -1.26 -5.00 116.67 116.02 2pn8 s ASP 259 Ca 0.60 0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.97 2pn8 s ASP 259 Cb 0.16 0.31 1.52 0.00 -1.46 0.00 0.00 42.92 43.44 2pn8 s ASP 259 CO -0.06 -0.25 2.08 -0.65 0.52 0.00 0.00 175.17 176.81 2pn8 h PRO 260 N 4.87 0.00 0.00 4.34 0.11 -2.01 -0.60 132.00 138.72 2pn8 h PRO 260 Ca -0.28 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.61 2pn8 h PRO 260 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2pn8 h PRO 260 CO 0.39 0.00 -1.25 0.00 -0.21 0.00 0.00 178.00 176.93 2pn8 n ALA 261 N -2.46 0.77 -0.09 -0.75 0.00 -1.26 -4.44 120.51 112.28 2pn8 n ALA 261 Ca 0.03 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.08 2pn8 n ALA 261 Cb 0.36 -0.39 0.54 0.00 0.00 0.00 0.00 19.45 19.96 2pn8 n ALA 261 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pn8 h GLY 262 N -1.00 0.50 1.92 0.00 0.00 -1.79 -2.42 103.07 100.28 2pn8 h GLY 262 Ca -0.32 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2pn8 h GLY 262 CO -0.19 0.07 0.03 0.07 0.00 0.00 0.00 176.54 176.52 2pn8 h LYS 263 N 0.33 0.00 0.00 4.80 2.10 -0.66 -2.74 116.57 120.40 2pn8 h LYS 263 Ca 0.30 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.92 2pn8 h LYS 263 Cb 0.73 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2pn8 h LYS 263 CO -0.08 0.00 -0.13 -0.07 -2.00 0.00 0.00 179.45 177.17 2pn8 h LEU 264 N 0.00 0.00 -1.05 7.07 3.38 -1.68 -1.80 115.31 121.22 2pn8 h LEU 264 Ca 0.02 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2pn8 h LEU 264 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2pn8 h LEU 264 CO -0.00 0.13 0.63 0.11 0.09 0.00 0.00 178.44 179.40 2pn8 h LYS 265 N 0.00 0.99 0.02 1.13 1.79 -1.69 0.11 116.57 118.93 2pn8 h LYS 265 Ca -0.00 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2pn8 h LYS 265 Cb 0.56 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2pn8 h LYS 265 CO 0.02 0.66 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.11 2pn8 h TYR 266 N 1.02 -0.02 -0.21 -1.35 5.03 -1.55 -3.26 116.97 116.62 2pn8 h TYR 266 Ca 0.46 -0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.63 2pn8 h TYR 266 Cb 0.39 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 2pn8 h TYR 266 CO -0.00 0.72 -0.47 0.74 -1.32 0.00 0.00 178.16 177.83 2pn8 h PHE 267 N -0.92 0.67 -0.39 -3.82 0.04 -1.23 -2.81 116.94 108.47 2pn8 h PHE 267 Ca -0.00 -0.21 -0.14 0.00 2.80 0.00 0.00 57.97 60.42 2pn8 h PHE 267 Cb 0.76 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 2pn8 h PHE 267 CO 0.20 0.92 -0.29 0.22 -0.60 0.00 0.00 178.31 178.76 2pn8 h ASP 268 N 0.44 0.93 0.00 2.17 3.58 -0.98 -3.50 116.42 119.06 2pn8 h ASP 268 Ca 0.02 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2pn8 h ASP 268 Cb 0.99 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2pn8 h ASP 268 CO 0.09 1.17 0.00 1.17 -2.88 0.00 0.00 179.24 178.79