#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xc8 s ILE 2 N 0.00 5.05 0.38 -0.61 1.01 -1.26 -2.53 121.20 123.25 2xc8 s ILE 2 Ca 0.00 -1.15 -0.24 0.00 0.00 0.00 0.00 60.65 59.26 2xc8 s ILE 2 Cb 0.00 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 2xc8 s ILE 2 CO 0.00 -0.59 1.00 -1.83 0.00 0.00 0.00 174.94 173.52 2xc8 s GLU 3 N 1.60 4.30 -0.31 2.79 -1.05 -0.60 -4.81 118.70 120.62 2xc8 s GLU 3 Ca 0.04 1.38 -0.13 0.00 -0.15 0.00 0.00 54.97 56.11 2xc8 s GLU 3 Cb -0.24 -2.55 -0.03 0.00 -0.44 0.00 0.00 34.13 30.87 2xc8 s GLU 3 CO 0.06 0.00 0.25 0.42 0.95 0.00 0.00 175.26 176.94 2xc8 s ILE 4 N -1.75 5.26 -0.40 1.83 1.01 -1.26 -0.72 121.20 125.18 2xc8 s ILE 4 Ca 0.56 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 2xc8 s ILE 4 Cb -0.18 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.72 2xc8 s ILE 4 CO 0.23 0.11 0.21 -0.69 0.00 0.00 0.00 174.94 174.80 2xc8 s VAL 5 N 1.83 3.80 -0.21 2.92 1.01 0.40 -4.96 120.40 125.19 2xc8 s VAL 5 Ca 0.08 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.19 2xc8 s VAL 5 Cb -0.16 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2xc8 s VAL 5 CO 0.11 -0.51 1.08 0.20 0.00 0.00 0.00 175.10 175.98 2xc8 s ASN 6 N 1.94 7.08 -0.03 3.32 0.01 -1.26 -0.53 114.94 125.46 2xc8 s ASN 6 Ca 0.03 1.45 -0.02 0.00 -0.71 0.00 0.00 52.86 53.62 2xc8 s ASN 6 Cb -0.23 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.92 2xc8 s ASN 6 CO -0.00 -0.67 0.08 -0.60 -1.51 0.00 0.00 177.10 174.39 2xc8 s ARG 7 N 3.16 0.04 0.10 -0.60 6.06 -0.40 -4.97 118.95 122.34 2xc8 s ARG 7 Ca 0.46 0.20 -0.18 0.00 -2.50 0.00 0.00 55.73 53.72 2xc8 s ARG 7 Cb -0.17 -0.12 -0.07 0.00 0.06 0.00 0.00 34.95 34.65 2xc8 s ARG 7 CO 0.09 -0.11 0.58 0.15 -2.50 0.00 0.00 175.30 173.50 2xc8 s LYS 8 N 0.71 4.15 0.18 5.12 1.02 -1.26 -1.15 119.74 128.51 2xc8 s LYS 8 Ca -0.06 0.69 -0.23 0.00 0.02 0.00 0.00 55.97 56.39 2xc8 s LYS 8 Cb -0.08 -3.14 0.06 0.00 -0.52 0.00 0.00 37.83 34.15 2xc8 s LYS 8 CO -0.03 0.58 0.66 0.00 -0.92 0.00 0.00 175.35 175.65 2xc8 s ALA 9 N -1.23 -1.52 0.05 5.17 0.00 -0.85 -4.91 121.76 118.47 2xc8 s ALA 9 Ca 0.32 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 2xc8 s ALA 9 Cb -0.18 0.84 -0.17 0.00 0.00 0.00 0.00 23.12 23.61 2xc8 s ALA 9 CO 0.19 -0.84 1.53 0.28 0.00 0.00 0.00 175.76 176.92 2xc8 h VAL 10 N 2.00 0.94 -3.48 0.00 2.07 -1.93 -3.30 116.25 112.56 2xc8 h VAL 10 Ca -0.29 -0.36 -0.61 0.00 0.82 0.00 0.00 66.70 66.26 2xc8 h VAL 10 Cb 1.29 1.17 -0.11 0.00 -1.52 0.00 0.00 31.29 32.12 2xc8 h VAL 10 CO 0.33 0.09 0.38 0.26 0.02 0.00 0.00 177.57 178.65 2xc8 s TRP 11 N -5.46 3.17 0.07 1.57 0.52 -1.26 -0.31 118.94 117.25 2xc8 s TRP 11 Ca -0.14 0.70 0.03 0.00 0.02 0.00 0.00 56.10 56.71 2xc8 s TRP 11 Cb 0.04 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 2xc8 s TRP 11 CO 0.64 -0.62 -0.09 1.52 0.02 0.00 0.00 176.95 178.41 2xc8 s TYR 12 N 2.99 0.91 -0.12 -1.98 -0.85 -0.50 -4.87 117.35 112.93 2xc8 s TYR 12 Ca 0.32 -0.60 0.03 0.00 -0.52 0.00 0.00 57.07 56.29 2xc8 s TYR 12 Cb -0.14 -0.52 0.01 0.00 0.38 0.00 0.00 41.96 41.69 2xc8 s TYR 12 CO 0.14 -0.05 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.74 2xc8 s LEU 13 N -2.09 2.03 0.00 -3.49 2.96 -1.07 -0.41 118.68 116.61 2xc8 s LEU 13 Ca -0.01 -0.55 0.28 0.00 -0.22 0.00 0.00 54.13 53.63 2xc8 s LEU 13 Cb -0.06 -1.36 1.07 0.00 0.50 0.00 0.00 46.19 46.35 2xc8 s LEU 13 CO -0.00 0.10 1.76 0.35 -1.32 0.00 0.00 176.35 177.23 2xc8 n THR 14 N 3.88 0.00 -1.87 3.68 -2.24 -0.52 -4.49 114.28 112.72 2xc8 n THR 14 Ca -0.20 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 2xc8 n THR 14 Cb 0.52 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 2xc8 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2xc8 s SER 15 N -2.28 6.50 -0.22 3.42 0.01 -1.26 -4.77 113.70 115.09 2xc8 s SER 15 Ca 0.32 2.80 -0.29 0.00 1.31 0.00 0.00 55.95 60.09 2xc8 s SER 15 Cb 0.20 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.82 2xc8 s SER 15 CO 0.43 -0.84 1.07 -0.70 0.41 0.00 0.00 173.24 173.62 2xc8 s GLU 16 N -0.07 4.25 -0.17 12.44 2.12 -1.26 -4.85 118.70 131.15 2xc8 s GLU 16 Ca 0.64 1.39 -0.01 0.00 0.36 0.00 0.00 54.97 57.35 2xc8 s GLU 16 Cb -0.45 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.27 2xc8 s GLU 16 CO 0.42 -0.65 -0.11 0.42 -0.54 0.00 0.00 175.26 174.81 2xc8 s ILE 17 N 3.26 3.02 0.02 -3.70 1.01 -1.26 -0.61 121.20 122.94 2xc8 s ILE 17 Ca 0.45 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 2xc8 s ILE 17 Cb -0.16 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2xc8 s ILE 17 CO 0.07 0.49 0.00 -1.59 0.00 0.00 0.00 174.94 173.91 2xc8 s LYS 18 N 0.96 0.40 -0.00 2.79 -2.85 -0.40 -5.01 119.74 115.64 2xc8 s LYS 18 Ca -0.02 -0.69 -0.26 0.00 -1.00 0.00 0.00 55.97 54.01 2xc8 s LYS 18 Cb -0.15 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.73 2xc8 s LYS 18 CO -0.01 -0.08 0.81 -2.00 0.10 0.00 0.00 175.35 174.17 2xc8 s GLU 19 N -1.93 4.51 0.56 1.78 2.12 -1.26 -1.07 118.70 123.41 2xc8 s GLU 19 Ca -0.11 1.12 0.04 0.00 0.36 0.00 0.00 54.97 56.38 2xc8 s GLU 19 Cb -0.06 -3.42 0.04 0.00 0.26 0.00 0.00 34.13 30.95 2xc8 s GLU 19 CO -0.02 0.12 0.36 0.25 -0.54 0.00 0.00 175.26 175.43 2xc8 n THR 20 N 3.43 0.00 0.16 -1.70 -2.24 0.10 -4.95 114.28 109.07 2xc8 n THR 20 Ca 0.00 -2.26 0.05 0.00 -2.27 0.00 0.00 64.05 59.58 2xc8 n THR 20 Cb 0.51 0.05 0.51 0.00 -2.10 0.00 0.00 70.33 69.30 2xc8 n THR 20 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2xc8 h GLU 21 N 0.00 0.20 0.00 -0.78 4.57 -2.02 -3.25 114.58 113.29 2xc8 h GLU 21 Ca -0.37 -0.02 -0.28 0.00 -1.18 0.00 0.00 59.36 57.51 2xc8 h GLU 21 Cb 1.30 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.80 2xc8 h GLU 21 CO 0.58 0.20 -2.08 0.25 -1.18 0.00 0.00 179.01 176.77 2xc8 n THR 22 N -4.44 1.07 0.00 0.32 -2.24 -1.26 -5.04 114.28 102.69 2xc8 n THR 22 Ca -0.01 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2xc8 n THR 22 Cb 0.14 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2xc8 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xc8 n GLY 23 N 2.01 0.85 3.15 3.38 0.00 -1.23 -1.10 105.19 112.25 2xc8 n GLY 23 Ca -0.25 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2xc8 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xc8 s ILE 24 N 1.93 1.58 -0.17 -0.61 -1.09 0.09 0.03 121.20 122.96 2xc8 s ILE 24 Ca 0.00 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.65 2xc8 s ILE 24 Cb 0.00 -1.37 0.01 0.00 -1.58 0.00 0.00 42.46 39.52 2xc8 s ILE 24 CO 0.00 0.45 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.37 2xc8 s GLU 25 N 0.22 3.07 -0.20 2.79 2.02 -0.23 -1.73 118.70 124.64 2xc8 s GLU 25 Ca -0.10 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 2xc8 s GLU 25 Cb -0.14 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 2xc8 s GLU 25 CO 0.04 -0.14 -0.05 0.08 0.02 0.00 0.00 175.26 175.21 2xc8 s VAL 26 N 1.15 3.41 0.79 2.63 1.01 0.15 -1.27 120.40 128.26 2xc8 s VAL 26 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2xc8 s VAL 26 Cb -0.14 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.78 2xc8 s VAL 26 CO -0.08 0.45 1.11 -0.94 0.00 0.00 0.00 175.10 175.64 2xc8 s SER 27 N 1.14 4.62 0.29 3.32 1.04 0.22 -1.17 113.70 123.16 2xc8 s SER 27 Ca 0.02 1.18 -0.29 0.00 0.48 0.00 0.00 55.95 57.33 2xc8 s SER 27 Cb -0.15 -1.89 -0.10 0.00 0.10 0.00 0.00 66.02 63.99 2xc8 s SER 27 CO -0.01 -1.87 1.24 0.00 0.98 0.00 0.00 173.24 173.58 2xc8 s ALA 28 N -3.26 3.47 0.00 5.32 0.00 -1.26 -4.32 121.76 121.72 2xc8 s ALA 28 Ca 0.61 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2xc8 s ALA 28 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2xc8 s ALA 28 CO 0.53 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2xc8 n GLY 29 N 1.18 3.16 3.00 0.00 0.00 -0.37 -4.68 105.19 107.49 2xc8 n GLY 29 Ca 0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 2xc8 n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xc8 s GLU 30 N 1.42 0.94 -0.21 1.61 2.02 -1.26 -0.76 118.70 122.46 2xc8 s GLU 30 Ca 0.00 -0.30 -0.15 0.00 0.02 0.00 0.00 54.97 54.55 2xc8 s GLU 30 Cb 0.00 -0.88 -0.04 0.00 0.10 0.00 0.00 34.13 33.31 2xc8 s GLU 30 CO 0.00 0.11 0.35 -1.17 0.02 0.00 0.00 175.26 174.57 2xc8 s LEU 31 N 0.20 4.14 -0.05 1.80 2.96 0.22 -1.44 118.68 126.51 2xc8 s LEU 31 Ca -0.03 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2xc8 s LEU 31 Cb -0.08 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2xc8 s LEU 31 CO 0.00 -0.05 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.85 2xc8 s HIS 32 N 1.29 2.73 -0.44 5.38 3.76 0.45 -0.53 115.29 127.93 2xc8 s HIS 32 Ca 0.17 -0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 54.90 2xc8 s HIS 32 Cb -0.14 -1.64 0.12 0.00 1.11 0.00 0.00 32.58 32.03 2xc8 s HIS 32 CO 0.07 0.21 0.26 0.21 -0.85 0.00 0.00 174.74 174.63 2xc8 s LYS 33 N -0.75 2.15 5.39 1.40 2.20 0.44 -1.41 119.74 129.16 2xc8 s LYS 33 Ca 0.12 -1.86 0.00 0.00 -0.36 0.00 0.00 55.97 53.86 2xc8 s LYS 33 Cb -0.11 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2xc8 s LYS 33 CO 0.01 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.30 2xc8 n GLY 34 N 4.58 3.03 0.09 5.54 0.00 0.58 -2.68 105.19 116.32 2xc8 n GLY 34 Ca -0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 2xc8 n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xc8 n ASP 35 N 2.45 0.84 0.33 1.61 8.00 -1.26 -4.65 116.55 123.88 2xc8 n ASP 35 Ca 0.00 0.39 -0.17 0.00 0.71 0.00 0.00 54.79 55.73 2xc8 n ASP 35 Cb 0.00 0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 2xc8 n ASP 35 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2xc8 h GLU 36 N 0.00 -0.79 -5.51 -1.24 4.81 -1.95 -3.47 114.58 106.43 2xc8 h GLU 36 Ca -0.25 0.05 -0.50 0.00 -0.13 0.00 0.00 59.36 58.53 2xc8 h GLU 36 Cb 1.87 0.18 -0.28 0.00 0.63 0.00 0.00 28.75 31.15 2xc8 h GLU 36 CO 0.07 -0.49 -0.82 -1.83 -0.73 0.00 0.00 179.01 175.21 2xc8 s GLU 37 N -5.54 1.20 -0.03 1.92 -1.05 -1.09 -5.00 118.70 109.10 2xc8 s GLU 37 Ca -0.16 -0.66 0.06 0.00 -0.15 0.00 0.00 54.97 54.05 2xc8 s GLU 37 Cb 0.03 -1.19 -0.01 0.00 -0.44 0.00 0.00 34.13 32.51 2xc8 s GLU 37 CO 0.57 0.32 -0.20 0.08 0.95 0.00 0.00 175.26 176.97 2xc8 s VAL 38 N -0.54 1.66 -0.02 1.83 1.01 -1.26 -0.42 120.40 122.66 2xc8 s VAL 38 Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2xc8 s VAL 38 Cb -0.07 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 2xc8 s VAL 38 CO 0.00 0.47 -0.10 -0.36 0.00 0.00 0.00 175.10 175.11 2xc8 s PHE 39 N -0.23 1.00 0.25 5.22 0.08 0.32 -4.98 117.98 119.65 2xc8 s PHE 39 Ca 0.01 -0.24 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 2xc8 s PHE 39 Cb -0.11 -0.69 -0.09 0.00 -0.57 0.00 0.00 43.02 41.56 2xc8 s PHE 39 CO 0.01 -0.08 1.15 -1.25 -0.10 0.00 0.00 175.22 174.95 2xc8 s PRO 40 N 0.04 4.57 -0.13 0.24 0.04 -1.26 -0.61 135.00 137.89 2xc8 s PRO 40 Ca -0.01 1.86 0.02 0.00 0.04 0.00 0.00 61.00 62.91 2xc8 s PRO 40 Cb -0.07 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2xc8 s PRO 40 CO 0.00 0.08 -0.18 0.08 0.04 0.00 0.00 177.00 177.02 2xc8 s VAL 41 N -0.80 1.76 0.70 -0.36 1.01 0.06 -4.58 120.40 118.19 2xc8 s VAL 41 Ca 0.47 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2xc8 s VAL 41 Cb -0.33 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2xc8 s VAL 41 CO 0.41 0.49 1.08 -1.61 0.00 0.00 0.00 175.10 175.47 2xc8 s GLU 42 N 0.99 2.70 0.68 2.72 2.02 -1.26 -1.23 118.70 125.33 2xc8 s GLU 42 Ca -0.05 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 55.98 2xc8 s GLU 42 Cb -0.15 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.14 2xc8 s GLU 42 CO -0.03 -1.30 1.09 -1.83 0.02 0.00 0.00 175.26 173.21 2xc8 s GLU 43 N -4.64 2.76 -0.09 1.61 -1.05 -1.26 -4.57 118.70 111.46 2xc8 s GLU 43 Ca 0.62 1.24 -0.22 0.00 -0.15 0.00 0.00 54.97 56.46 2xc8 s GLU 43 Cb -0.17 -1.96 0.05 0.00 -0.44 0.00 0.00 34.13 31.62 2xc8 s GLU 43 CO 0.50 -1.26 0.52 0.54 0.95 0.00 0.00 175.26 176.50 2xc8 s VAL 44 N -2.60 0.02 -0.02 1.83 0.11 -0.32 -4.93 120.40 114.49 2xc8 s VAL 44 Ca 0.64 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.35 2xc8 s VAL 44 Cb -0.18 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2xc8 s VAL 44 CO 0.46 -0.08 0.40 -0.94 -3.33 0.00 0.00 175.10 171.61 2xc8 s SER 45 N -0.76 -0.30 -0.02 3.54 1.04 -1.26 0.30 113.70 116.24 2xc8 s SER 45 Ca -0.08 0.22 -0.23 0.00 0.48 0.00 0.00 55.95 56.34 2xc8 s SER 45 Cb -0.03 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2xc8 s SER 45 CO 0.05 -0.50 0.50 0.72 0.98 0.00 0.00 173.24 174.99 2xc8 s PHE 46 N -1.38 -0.42 0.31 5.02 -0.12 -0.70 -5.01 117.98 115.68 2xc8 s PHE 46 Ca -0.12 0.66 -0.27 0.00 -0.05 0.00 0.00 56.93 57.15 2xc8 s PHE 46 Cb -0.04 0.27 -0.09 0.00 -0.63 0.00 0.00 43.02 42.52 2xc8 s PHE 46 CO 0.05 -0.52 0.98 -0.51 -0.05 0.00 0.00 175.22 175.17 2xc8 s ASP 47 N -1.37 7.29 -1.17 1.98 1.01 -1.26 -0.73 116.67 122.41 2xc8 s ASP 47 Ca -0.11 1.96 -0.06 0.00 0.71 0.00 0.00 52.55 55.05 2xc8 s ASP 47 Cb -0.02 -2.59 0.24 0.00 1.01 0.00 0.00 42.92 41.55 2xc8 s ASP 47 CO 0.06 -0.11 1.77 0.18 0.21 0.00 0.00 175.17 177.28 2xc8 n LEU 48 N 0.73 6.81 -4.69 1.23 4.77 -0.26 -4.88 117.00 120.70 2xc8 n LEU 48 Ca 0.01 -4.99 -0.42 0.00 -0.03 0.00 0.00 56.01 50.57 2xc8 n LEU 48 Cb 0.49 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 2xc8 n LEU 48 CO 0.47 1.67 0.88 -0.89 -1.33 0.00 0.00 177.39 178.19 2xc8 s THR 49 N -1.64 4.39 0.55 -5.08 2.01 -1.26 -4.94 115.64 109.66 2xc8 s THR 49 Ca 0.38 1.70 -0.07 0.00 0.31 0.00 0.00 61.69 64.01 2xc8 s THR 49 Cb 0.10 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2xc8 s THR 49 CO 0.02 0.03 0.89 -2.16 -0.69 0.00 0.00 174.62 172.71 2xc8 s PRO 50 N 1.90 3.45 0.13 4.92 0.04 -1.26 -4.88 135.00 139.30 2xc8 s PRO 50 Ca 0.54 0.35 0.03 0.00 0.04 0.00 0.00 61.00 61.97 2xc8 s PRO 50 Cb -0.24 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2xc8 s PRO 50 CO 0.23 -0.41 0.16 0.34 0.04 0.00 0.00 177.00 177.36 2xc8 s ASP 51 N -4.16 5.79 0.35 6.66 2.15 -1.26 -5.02 116.67 121.17 2xc8 s ASP 51 Ca 0.51 0.01 0.09 0.00 0.43 0.00 0.00 52.55 53.58 2xc8 s ASP 51 Cb -0.11 -1.61 0.64 0.00 -0.30 0.00 0.00 42.92 41.55 2xc8 s ASP 51 CO 0.48 0.10 1.81 0.44 -0.17 0.00 0.00 175.17 177.84 2xc8 h ASP 52 N 2.64 0.20 0.00 -0.34 3.32 -1.98 -3.35 116.42 116.92 2xc8 h ASP 52 Ca -0.47 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.32 2xc8 h ASP 52 Cb 1.19 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2xc8 h ASP 52 CO 0.66 0.49 -1.52 0.41 -1.72 0.00 0.00 179.24 177.56 2xc8 n THR 53 N -4.15 1.29 -4.08 0.35 -1.04 -1.26 -4.89 114.28 100.51 2xc8 n THR 53 Ca -0.01 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.72 2xc8 n THR 53 Cb 0.37 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 66.87 2xc8 n THR 53 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2xc8 s TYR 54 N -2.53 3.08 0.43 -1.42 2.02 -1.26 -4.85 117.35 112.82 2xc8 s TYR 54 Ca -0.26 -0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.12 2xc8 s TYR 54 Cb 0.07 -1.44 -0.10 0.00 -0.40 0.00 0.00 41.96 40.09 2xc8 s TYR 54 CO 0.35 0.48 0.92 -2.14 -1.57 0.00 0.00 175.55 173.59 2xc8 s PRO 55 N -3.86 4.10 -0.16 -1.71 0.02 -1.26 -4.00 135.00 128.12 2xc8 s PRO 55 Ca 0.34 0.97 -0.01 0.00 0.02 0.00 0.00 61.00 62.32 2xc8 s PRO 55 Cb -0.08 -2.22 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 2xc8 s PRO 55 CO 0.25 -0.06 -0.12 0.08 -0.33 0.00 0.00 177.00 176.82 2xc8 s VAL 56 N -2.27 2.93 -0.18 3.83 1.01 0.86 -0.54 120.40 126.03 2xc8 s VAL 56 Ca 0.59 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2xc8 s VAL 56 Cb -0.09 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2xc8 s VAL 56 CO 0.19 0.50 0.43 -0.70 0.00 0.00 0.00 175.10 175.52 2xc8 s GLU 57 N 0.85 4.21 0.49 2.72 2.12 0.12 -0.05 118.70 129.16 2xc8 s GLU 57 Ca -0.04 0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.64 2xc8 s GLU 57 Cb -0.15 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2xc8 s GLU 57 CO 0.00 -0.01 0.31 0.71 -0.54 0.00 0.00 175.26 175.73 2xc8 s TYR 58 N 1.19 2.08 -0.30 5.30 2.02 0.11 -1.03 117.35 126.72 2xc8 s TYR 58 Ca 0.21 -0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 56.05 2xc8 s TYR 58 Cb -0.15 -1.94 0.13 0.00 -0.40 0.00 0.00 41.96 39.60 2xc8 s TYR 58 CO 0.08 -0.18 0.81 -1.17 -1.57 0.00 0.00 175.55 173.52 2xc8 s LEU 60 N -4.12 -0.85 -0.13 -1.29 2.96 -0.61 -1.08 118.68 113.55 2xc8 s LEU 60 Ca 0.36 1.22 -0.04 0.00 -0.22 0.00 0.00 54.13 55.45 2xc8 s LEU 60 Cb -0.00 2.04 -0.03 0.00 0.50 0.00 0.00 46.19 48.70 2xc8 s LEU 60 CO 0.21 -0.18 0.01 -0.31 -1.32 0.00 0.00 176.35 174.77 2xc8 s TYR 61 N 2.33 3.17 -0.30 5.38 2.02 0.17 -3.55 117.35 126.57 2xc8 s TYR 61 Ca -0.06 0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 2xc8 s TYR 61 Cb -0.08 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.62 2xc8 s TYR 61 CO -0.18 0.28 0.00 -1.17 -1.57 0.00 0.00 175.55 172.91 2xc8 s LEU 62 N -0.26 3.90 0.00 -1.29 2.96 -1.26 -0.96 118.68 121.77 2xc8 s LEU 62 Ca 0.06 -1.27 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 2xc8 s LEU 62 Cb -0.12 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2xc8 s LEU 62 CO 0.02 -0.26 0.00 0.00 -1.32 0.00 0.00 176.35 174.79 2xc8 n HIS 63 N 4.63 0.00 -4.01 5.38 1.44 -0.74 -0.49 115.22 121.42 2xc8 n HIS 63 Ca -0.13 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.27 2xc8 n HIS 63 Cb 0.43 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.38 2xc8 n HIS 63 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2xc8 s ASN 65 N 1.00 3.28 0.32 4.39 3.84 -0.08 -0.36 114.94 127.33 2xc8 s ASN 65 Ca 0.00 -0.81 0.02 0.00 0.21 0.00 0.00 52.86 52.27 2xc8 s ASN 65 Cb 0.00 -1.26 0.57 0.00 -0.55 0.00 0.00 41.25 40.02 2xc8 s ASN 65 CO 0.00 -0.12 1.94 0.58 -2.79 0.00 0.00 177.10 176.72 2xc8 h VAL 66 N 6.31 1.09 0.01 -5.21 2.07 -1.94 0.13 116.25 118.70 2xc8 h VAL 66 Ca -0.31 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 2xc8 h VAL 66 Cb 1.11 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2xc8 h VAL 66 CO 0.50 0.18 -0.39 1.56 0.02 0.00 0.00 177.57 179.43 2xc8 h GLN 67 N 0.96 0.25 0.00 1.57 4.20 -2.02 -3.37 115.11 116.71 2xc8 h GLN 67 Ca 0.34 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2xc8 h GLN 67 Cb 0.12 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2xc8 h GLN 67 CO -0.11 1.00 -1.19 0.25 -0.67 0.00 0.00 178.83 178.11 2xc8 n THR 68 N -4.39 0.23 -0.90 -0.54 -2.24 -1.18 -4.95 114.28 100.30 2xc8 n THR 68 Ca -0.10 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2xc8 n THR 68 Cb 0.58 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2xc8 n THR 68 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2xc8 n LYS 69 N -2.15 -0.54 -2.33 -0.78 4.76 0.43 -4.98 118.16 112.57 2xc8 n LYS 69 Ca 0.01 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.16 2xc8 n LYS 69 Cb 0.48 -3.73 -0.03 0.00 -1.84 0.00 0.00 35.03 29.92 2xc8 n LYS 69 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2xc8 s LYS 70 N -0.74 4.31 -0.24 1.97 2.47 -1.24 -4.79 119.74 121.48 2xc8 s LYS 70 Ca 0.00 1.83 -0.10 0.00 -1.56 0.00 0.00 55.97 56.13 2xc8 s LYS 70 Cb 0.00 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.74 2xc8 s LYS 70 CO 0.00 -0.53 0.16 0.08 0.16 0.00 0.00 175.35 175.22 2xc8 s VAL 71 N 2.41 5.35 0.22 4.02 1.01 -1.26 -0.90 120.40 131.23 2xc8 s VAL 71 Ca 0.60 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.80 2xc8 s VAL 71 Cb -0.28 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2xc8 s VAL 71 CO 0.24 0.35 -0.06 -0.44 0.00 0.00 0.00 175.10 175.19 2xc8 s SER 72 N 1.03 2.11 -0.05 3.32 0.01 0.51 -4.70 113.70 115.93 2xc8 s SER 72 Ca 0.07 -1.13 -0.04 0.00 1.31 0.00 0.00 55.95 56.17 2xc8 s SER 72 Cb -0.13 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2xc8 s SER 72 CO 0.04 -0.38 0.13 0.26 0.41 0.00 0.00 173.24 173.70 2xc8 s TRP 73 N -3.25 3.48 0.02 2.43 0.52 -1.26 -1.79 118.94 119.08 2xc8 s TRP 73 Ca 0.25 0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.76 2xc8 s TRP 73 Cb 0.04 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 2xc8 s TRP 73 CO 0.07 0.65 -0.07 -1.12 0.02 0.00 0.00 176.95 176.49 2xc8 s SER 74 N -1.49 0.83 -0.12 2.95 0.01 -0.14 -4.99 113.70 110.76 2xc8 s SER 74 Ca 0.21 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.20 2xc8 s SER 74 Cb -0.12 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2xc8 s SER 74 CO 0.11 -0.03 -0.17 -0.22 0.41 0.00 0.00 173.24 173.34 2xc8 s LEU 75 N -0.72 1.85 -0.16 2.44 2.96 -1.26 0.45 118.68 124.23 2xc8 s LEU 75 Ca -0.02 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 2xc8 s LEU 75 Cb -0.05 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 2xc8 s LEU 75 CO 0.00 0.04 0.13 0.00 -1.32 0.00 0.00 176.35 175.21 2xc8 s LYS 77 N -0.25 1.96 -0.03 0.00 2.20 -1.26 -4.25 119.74 118.12 2xc8 s LYS 77 Ca 0.11 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 55.07 2xc8 s LYS 77 Cb -0.11 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 2xc8 s LYS 77 CO 0.01 -0.39 -0.21 0.00 -0.36 0.00 0.00 175.35 174.40 2xc8 s ALA 78 N 1.46 1.77 -0.29 3.13 0.00 -0.20 -4.97 121.76 122.66 2xc8 s ALA 78 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2xc8 s ALA 78 Cb -0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2xc8 s ALA 78 CO -0.09 0.40 0.46 0.71 0.00 0.00 0.00 175.76 177.24 2xc8 s TYR 79 N -0.36 3.24 -1.34 0.00 2.02 -1.26 0.13 117.35 119.77 2xc8 s TYR 79 Ca 0.05 0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 57.02 2xc8 s TYR 79 Cb -0.09 -2.71 0.09 0.00 -0.40 0.00 0.00 41.96 38.84 2xc8 s TYR 79 CO 0.00 -0.33 1.89 1.28 -1.57 0.00 0.00 175.55 176.83 2xc8 n LEU 80 N 5.51 5.93 -0.98 -1.29 4.77 0.29 -3.54 117.00 127.70 2xc8 n LEU 80 Ca -0.06 -4.19 0.09 0.00 -0.03 0.00 0.00 56.01 51.82 2xc8 n LEU 80 Cb 0.50 -1.66 0.20 0.00 -2.33 0.00 0.00 43.42 40.13 2xc8 n LEU 80 CO 0.40 0.77 0.66 -0.90 -1.33 0.00 0.00 177.39 176.99 2xc8 n ASP 81 N 6.47 3.24 0.00 -1.43 5.75 -1.26 -4.48 116.55 124.85 2xc8 n ASP 81 Ca 0.47 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 2xc8 n ASP 81 Cb 0.42 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2xc8 n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xc8 n GLY 82 N 1.17 1.75 0.00 6.12 0.00 -1.26 -4.84 105.19 108.13 2xc8 n GLY 82 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2xc8 n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xc8 n GLU 83 N -1.57 3.14 -2.62 1.61 1.02 -1.26 -5.05 120.64 115.91 2xc8 n GLU 83 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2xc8 n GLU 83 Cb 0.00 -0.96 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2xc8 n GLU 83 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2xc8 s GLY 84 N -2.67 3.05 0.06 0.62 0.00 -1.23 -5.05 107.32 102.09 2xc8 s GLY 84 Ca 0.00 0.73 -0.26 0.00 0.00 0.00 0.00 44.72 45.19 2xc8 s GLY 84 CO 0.00 1.39 0.72 -2.52 0.00 0.00 0.00 173.10 172.70 2xc8 s TYR 85 N -0.89 -0.49 -0.17 1.90 -0.85 -1.26 -4.60 117.35 110.99 2xc8 s TYR 85 Ca 0.44 0.42 -0.07 0.00 -0.52 0.00 0.00 57.07 57.35 2xc8 s TYR 85 Cb -0.28 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 2xc8 s TYR 85 CO 0.35 -0.69 0.05 0.00 -1.52 0.00 0.00 175.55 173.74 2xc8 s ASP 87 N 0.27 -0.77 -0.03 0.00 2.15 -1.26 -5.13 116.67 111.90 2xc8 s ASP 87 Ca 0.03 1.27 -0.30 0.00 0.43 0.00 0.00 52.55 53.98 2xc8 s ASP 87 Cb -0.12 1.15 -0.07 0.00 -0.30 0.00 0.00 42.92 43.58 2xc8 s ASP 87 CO 0.01 -0.22 1.90 -0.47 -0.17 0.00 0.00 175.17 176.21 2xc8 s TYR 88 N 1.47 1.48 -0.66 -5.34 5.04 -1.26 -4.86 117.35 113.22 2xc8 s TYR 88 Ca -0.09 -0.15 0.18 0.00 -2.44 0.00 0.00 57.07 54.57 2xc8 s TYR 88 Cb -0.06 -4.12 -0.22 0.00 0.35 0.00 0.00 41.96 37.91 2xc8 s TYR 88 CO -0.16 -4.86 0.69 1.04 -1.34 0.00 0.00 175.55 170.91 2xc8 n GLN 89 N 7.58 0.89 -1.00 4.97 1.13 -1.26 -5.03 117.38 124.66 2xc8 n GLN 89 Ca 0.20 -0.04 -0.30 0.00 -1.94 0.00 0.00 57.00 54.92 2xc8 n GLN 89 Cb 0.42 -1.38 0.23 0.00 0.11 0.00 0.00 30.24 29.62 2xc8 n GLN 89 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2xc8 s GLY 90 N -3.06 1.56 0.00 1.08 0.00 -1.26 -5.00 107.32 100.63 2xc8 s GLY 90 Ca 0.04 -0.77 0.13 0.00 0.00 0.00 0.00 44.72 44.12 2xc8 s GLY 90 CO 0.75 0.06 1.26 1.16 0.00 0.00 0.00 173.10 176.34 2xc8 n ASN 91 N -4.74 2.98 -5.00 1.64 0.23 -1.26 -4.99 115.26 104.12 2xc8 n ASN 91 Ca 0.11 -1.94 -0.18 0.00 -0.53 0.00 0.00 54.58 52.03 2xc8 n ASN 91 Cb 0.59 -0.24 0.01 0.00 -2.08 0.00 0.00 39.78 38.06 2xc8 n ASN 91 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2xc8 s GLU 92 N -1.01 2.87 -0.45 -3.83 2.02 -1.26 -4.99 118.70 112.04 2xc8 s GLU 92 Ca 0.26 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 2xc8 s GLU 92 Cb 0.14 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2xc8 s GLU 92 CO 0.19 -0.26 1.36 0.50 0.02 0.00 0.00 175.26 177.07 2xc8 s ARG 93 N -4.38 3.56 -0.10 1.61 3.52 -1.26 -4.97 118.95 116.93 2xc8 s ARG 93 Ca 0.53 0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 56.62 2xc8 s ARG 93 Cb -0.10 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 2xc8 s ARG 93 CO 0.34 -1.59 1.60 -1.17 -0.81 0.00 0.00 175.30 173.67 2xc8 s LEU 94 N 5.34 4.22 -0.10 -0.88 2.96 -1.26 -4.39 118.68 124.57 2xc8 s LEU 94 Ca 0.57 2.05 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 2xc8 s LEU 94 Cb -0.12 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.79 2xc8 s LEU 94 CO 0.32 -0.97 0.43 -0.38 -1.32 0.00 0.00 176.35 174.42 2xc8 n ILE 95 N 5.65 1.73 -3.31 6.68 2.08 0.35 -4.98 119.36 127.57 2xc8 n ILE 95 Ca 0.17 -0.69 -0.21 0.00 0.56 0.00 0.00 62.75 62.58 2xc8 n ILE 95 Cb 0.43 -1.53 -0.08 0.00 -0.75 0.00 0.00 39.64 37.71 2xc8 n ILE 95 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2xc8 s TYR 97 N -2.57 0.21 -0.62 1.39 -0.85 -1.26 -5.04 117.35 108.61 2xc8 s TYR 97 Ca -0.18 -1.49 0.24 0.00 -0.52 0.00 0.00 57.07 55.12 2xc8 s TYR 97 Cb 0.07 -0.58 0.91 0.00 0.38 0.00 0.00 41.96 42.74 2xc8 s TYR 97 CO 0.78 -0.94 1.74 -0.35 -1.52 0.00 0.00 175.55 175.26 2xc8 n PRO 98 N 3.50 0.21 -4.21 -3.49 -0.04 -1.23 -4.66 135.00 125.08 2xc8 n PRO 98 Ca 0.19 0.31 -0.26 0.00 -0.04 0.00 0.00 63.50 63.70 2xc8 n PRO 98 Cb 0.46 -1.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.94 2xc8 n PRO 98 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2xc8 s VAL 99 N -3.20 1.14 -0.25 0.52 1.01 -1.26 0.80 120.40 119.15 2xc8 s VAL 99 Ca 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2xc8 s VAL 99 Cb 0.11 -1.10 0.09 0.00 0.00 0.00 0.00 36.38 35.48 2xc8 s VAL 99 CO 0.48 0.37 0.11 -0.55 0.00 0.00 0.00 175.10 175.51 2xc8 s SER 100 N 1.24 3.19 -0.04 3.32 0.15 -0.94 -1.57 113.70 119.04 2xc8 s SER 100 Ca -0.03 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.55 2xc8 s SER 100 Cb -0.14 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 2xc8 s SER 100 CO -0.03 -0.41 -0.11 -0.69 1.20 0.00 0.00 173.24 173.20 2xc8 s VAL 101 N 2.08 0.97 -0.26 4.45 1.01 -0.24 -1.28 120.40 127.13 2xc8 s VAL 101 Ca 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2xc8 s VAL 101 Cb -0.16 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2xc8 s VAL 101 CO -0.27 0.31 0.14 -0.89 0.00 0.00 0.00 175.10 174.39 2xc8 s THR 102 N 0.39 5.03 -0.26 3.92 2.01 0.78 0.04 115.64 127.55 2xc8 s THR 102 Ca -0.08 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 2xc8 s THR 102 Cb -0.12 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2xc8 s THR 102 CO 0.02 0.31 0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 2xc8 s VAL 103 N 1.48 4.33 0.37 3.82 1.01 0.92 -1.15 120.40 131.19 2xc8 s VAL 103 Ca 0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 2xc8 s VAL 103 Cb -0.15 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 2xc8 s VAL 103 CO 0.07 0.29 0.71 -0.36 0.00 0.00 0.00 175.10 175.81 2xc8 s PHE 104 N 1.61 3.48 0.38 5.22 0.08 0.02 -0.10 117.98 128.66 2xc8 s PHE 104 Ca 0.06 0.92 0.19 0.00 0.12 0.00 0.00 56.93 58.22 2xc8 s PHE 104 Cb -0.15 -2.34 1.16 0.00 -0.57 0.00 0.00 43.02 41.12 2xc8 s PHE 104 CO 0.04 -0.03 1.69 -1.35 -0.10 0.00 0.00 175.22 175.47 2xc8 h PRO 105 N 1.34 0.30 -0.01 0.24 0.11 -1.75 0.16 132.00 132.38 2xc8 h PRO 105 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2xc8 h PRO 105 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2xc8 h PRO 105 CO 0.64 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.90 2xc8 n ASN 106 N -4.83 0.31 0.00 -2.05 6.94 -1.26 -4.74 115.26 109.63 2xc8 n ASN 106 Ca 0.31 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 2xc8 n ASN 106 Cb 1.05 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.46 2xc8 n ASN 106 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xc8 n GLY 107 N 0.99 0.36 3.70 4.83 0.00 0.54 -5.06 105.19 110.56 2xc8 n GLY 107 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2xc8 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xc8 s THR 108 N -2.00 3.04 -0.16 2.61 2.01 -1.25 -4.77 115.64 115.12 2xc8 s THR 108 Ca 0.00 0.63 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 2xc8 s THR 108 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2xc8 s THR 108 CO 0.00 0.02 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.81 2xc8 s ARG 109 N 1.88 3.76 -0.05 4.92 0.52 -1.26 -0.80 118.95 127.92 2xc8 s ARG 109 Ca 0.70 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2xc8 s ARG 109 Cb -0.39 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.10 2xc8 s ARG 109 CO 0.31 0.25 -0.00 -1.21 0.02 0.00 0.00 175.30 174.67 2xc8 s GLU 110 N 0.35 0.53 0.00 3.54 2.02 -0.30 -0.48 118.70 124.37 2xc8 s GLU 110 Ca -0.02 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.05 2xc8 s GLU 110 Cb -0.14 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.30 2xc8 s GLU 110 CO 0.02 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2xc8 n GLY 111 N 4.70 -0.56 3.01 -1.39 0.00 -1.05 -0.16 105.19 109.74 2xc8 n GLY 111 Ca -0.15 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2xc8 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xc8 s THR 112 N -3.45 0.04 -0.22 2.61 2.01 -0.40 -1.56 115.64 114.66 2xc8 s THR 112 Ca 0.00 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 2xc8 s THR 112 Cb 0.00 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.29 2xc8 s THR 112 CO 0.00 -0.16 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.06 2xc8 s ILE 113 N -0.51 2.94 -0.23 1.82 1.01 0.10 -2.22 121.20 124.11 2xc8 s ILE 113 Ca -0.06 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 2xc8 s ILE 113 Cb -0.04 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2xc8 s ILE 113 CO 0.00 0.36 0.42 -0.36 0.00 0.00 0.00 174.94 175.36 2xc8 s PHE 114 N 1.38 3.32 -0.38 3.97 0.08 0.24 -0.45 117.98 126.14 2xc8 s PHE 114 Ca 0.03 0.58 -0.03 0.00 0.12 0.00 0.00 56.93 57.63 2xc8 s PHE 114 Cb -0.15 -2.59 0.09 0.00 -0.57 0.00 0.00 43.02 39.81 2xc8 s PHE 114 CO -0.06 -0.13 0.15 -0.51 -0.10 0.00 0.00 175.22 174.57 2xc8 s LEU 115 N 1.74 4.89 -0.12 -0.37 1.43 0.31 -4.75 118.68 121.81 2xc8 s LEU 115 Ca 0.19 -1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 51.24 2xc8 s LEU 115 Cb -0.15 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2xc8 s LEU 115 CO 0.09 -0.46 0.70 -0.31 0.23 0.00 0.00 176.35 176.59 2xc8 s TYR 116 N 1.17 3.50 0.35 0.29 2.02 -1.26 -1.28 117.35 122.15 2xc8 s TYR 116 Ca 0.05 1.16 0.08 0.00 -0.37 0.00 0.00 57.07 57.99 2xc8 s TYR 116 Cb -0.22 -2.83 -0.07 0.00 -0.40 0.00 0.00 41.96 38.45 2xc8 s TYR 116 CO -0.03 -0.03 -0.06 -1.83 -1.57 0.00 0.00 175.55 172.03 2xc8 s GLU 117 N 1.28 1.82 0.51 -0.62 -1.05 -0.30 -2.59 118.70 117.74 2xc8 s GLU 117 Ca 0.35 -1.96 -0.21 0.00 -0.15 0.00 0.00 54.97 52.99 2xc8 s GLU 117 Cb -0.17 -1.61 -0.06 0.00 -0.44 0.00 0.00 34.13 31.85 2xc8 s GLU 117 CO 0.15 0.07 1.18 -1.59 0.95 0.00 0.00 175.26 176.02 2xc8 s LYS 118 N -3.65 3.50 0.46 -4.83 -2.85 -1.26 -2.00 119.74 109.12 2xc8 s LYS 118 Ca 0.33 1.77 -0.23 0.00 -1.00 0.00 0.00 55.97 56.84 2xc8 s LYS 118 Cb 0.05 -2.23 -0.07 0.00 -2.06 0.00 0.00 37.83 33.52 2xc8 s LYS 118 CO 0.16 -0.76 1.19 -1.21 0.10 0.00 0.00 175.35 174.83 2xc8 s GLU 119 N -2.95 3.71 0.32 1.78 2.02 -1.24 -4.70 118.70 117.63 2xc8 s GLU 119 Ca 0.68 1.84 -0.29 0.00 0.02 0.00 0.00 54.97 57.22 2xc8 s GLU 119 Cb -0.28 -2.41 -0.11 0.00 0.10 0.00 0.00 34.13 31.42 2xc8 s GLU 119 CO 0.33 -0.61 1.57 -0.51 0.02 0.00 0.00 175.26 176.06 2xc8 s ASP 120 N -1.28 6.36 0.00 -0.19 -0.00 -1.26 -5.03 116.67 115.26 2xc8 s ASP 120 Ca 0.64 2.98 0.30 0.00 -0.00 0.00 0.00 52.55 56.47 2xc8 s ASP 120 Cb -0.30 -2.64 1.46 0.00 -0.00 0.00 0.00 42.92 41.43 2xc8 s ASP 120 CO 0.37 -0.91 1.97 -2.11 -0.00 0.00 0.00 175.17 174.49