#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s LYS 3 N 0.00 4.35 0.11 0.54 1.02 -1.26 -4.95 119.74 119.55 3i8h s LYS 3 Ca 0.00 1.69 -0.31 0.00 0.02 0.00 0.00 55.97 57.37 3i8h s LYS 3 Cb 0.00 -3.55 -0.11 0.00 -0.52 0.00 0.00 37.83 33.65 3i8h s LYS 3 CO 0.00 -0.45 1.84 1.17 -0.92 0.00 0.00 175.35 176.99 3i8h n LYS 4 N 5.18 2.75 -5.12 1.68 3.00 -1.26 -4.57 118.16 119.82 3i8h n LYS 4 Ca 0.11 1.00 -0.32 0.00 -0.00 0.00 0.00 58.31 59.10 3i8h n LYS 4 Cb 0.46 -2.89 -0.16 0.00 0.00 0.00 0.00 35.03 32.44 3i8h n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i8h s VAL 5 N 2.82 2.35 0.18 3.15 1.01 -1.26 0.13 120.40 128.77 3i8h s VAL 5 Ca 0.83 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3i8h s VAL 5 Cb -0.49 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3i8h s VAL 5 CO 0.38 0.56 0.00 -0.76 0.00 0.00 0.00 175.10 175.28 3i8h s LEU 6 N 0.09 2.11 -0.16 3.92 1.43 -0.46 -4.94 118.68 120.67 3i8h s LEU 6 Ca -0.10 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 3i8h s LEU 6 Cb -0.16 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.00 3i8h s LEU 6 CO 0.06 -0.57 -0.16 -0.89 0.23 0.00 0.00 176.35 175.02 3i8h s THR 7 N -3.64 2.57 0.18 5.49 2.01 -1.26 -0.60 115.64 120.40 3i8h s THR 7 Ca 0.24 -0.80 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 3i8h s THR 7 Cb 0.06 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.53 3i8h s THR 7 CO 0.04 0.52 0.55 -0.83 -0.69 0.00 0.00 174.62 174.21 3i8h s GLY 8 N 0.90 -0.31 0.42 4.40 0.00 0.17 -4.12 107.32 108.79 3i8h s GLY 8 Ca -0.04 0.05 -0.07 0.00 0.00 0.00 0.00 44.72 44.66 3i8h s GLY 8 CO -0.02 -0.11 0.75 0.14 0.00 0.00 0.00 173.10 173.86 3i8h s VAL 9 N -3.82 4.87 -0.19 1.40 1.01 -1.07 -0.97 120.40 121.63 3i8h s VAL 9 Ca 0.05 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3i8h s VAL 9 Cb -0.01 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3i8h s VAL 9 CO -0.07 -0.64 0.27 -0.69 0.00 0.00 0.00 175.10 173.97 3i8h s VAL 10 N -2.50 5.31 -0.08 2.92 1.01 -0.73 0.15 120.40 126.47 3i8h s VAL 10 Ca 0.49 0.48 0.08 0.00 0.00 0.00 0.00 61.98 63.03 3i8h s VAL 10 Cb -0.10 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 3i8h s VAL 10 CO 0.37 0.36 0.06 1.33 0.00 0.00 0.00 175.10 177.22 3i8h n VAL 11 N 3.85 0.55 -4.14 2.92 0.24 -0.46 -3.29 118.33 118.00 3i8h n VAL 11 Ca -0.12 -0.37 -0.16 0.00 -2.04 0.00 0.00 64.34 61.64 3i8h n VAL 11 Cb 0.52 -0.62 -0.12 0.00 -1.47 0.00 0.00 33.84 32.15 3i8h n VAL 11 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i8h s SER 12 N -4.01 1.37 0.00 -1.34 0.01 -1.25 -4.93 113.70 103.54 3i8h s SER 12 Ca -0.04 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3i8h s SER 12 Cb 0.03 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3i8h s SER 12 CO 0.39 -0.11 0.00 -0.90 0.41 0.00 0.00 173.24 173.02 3i8h n ASP 13 N 1.40 0.00 0.00 2.44 5.75 -1.26 -2.18 116.55 122.70 3i8h n ASP 13 Ca -0.21 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 3i8h n ASP 13 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3i8h n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3i8h n LYS 14 N 0.00 0.00 -4.03 0.11 5.02 -1.26 -4.49 118.16 113.51 3i8h n LYS 14 Ca 0.00 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 3i8h n LYS 14 Cb 0.03 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 3i8h n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3i8h s MET 15 N -1.58 3.12 -0.11 1.97 -1.94 -1.26 -5.08 119.30 114.42 3i8h s MET 15 Ca 0.00 -0.76 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 3i8h s MET 15 Cb 0.00 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 3i8h s MET 15 CO 0.00 0.50 0.93 -0.65 -0.01 0.00 0.00 175.02 175.79 3i8h s GLN 16 N -3.17 4.40 -1.49 2.03 -0.21 -1.26 -3.80 119.66 116.15 3i8h s GLN 16 Ca 0.32 1.24 -0.10 0.00 0.02 0.00 0.00 55.36 56.85 3i8h s GLN 16 Cb -0.10 -3.54 0.07 0.00 1.00 0.00 0.00 33.01 30.44 3i8h s GLN 16 CO 0.25 -0.27 0.84 1.63 -2.12 0.00 0.00 175.29 175.62 3i8h n LYS 17 N 4.89 -4.86 -3.59 2.91 5.02 -1.26 -4.96 118.16 116.30 3i8h n LYS 17 Ca 0.06 0.55 -0.16 0.00 -2.02 0.00 0.00 58.31 56.75 3i8h n LYS 17 Cb 0.49 -5.27 -0.07 0.00 -0.02 0.00 0.00 35.03 30.16 3i8h n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3i8h s THR 18 N -3.45 0.00 -0.10 -0.18 2.01 -1.25 -2.71 115.64 109.96 3i8h s THR 18 Ca 0.46 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 3i8h s THR 18 Cb -0.23 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.37 3i8h s THR 18 CO 0.84 -0.01 0.20 0.68 -0.69 0.00 0.00 174.62 175.64 3i8h s VAL 19 N -0.43 -0.24 0.21 3.82 -7.23 -0.82 -4.33 120.40 111.38 3i8h s VAL 19 Ca -0.06 0.28 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 3i8h s VAL 19 Cb -0.03 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 3i8h s VAL 19 CO 0.05 0.11 1.31 -0.89 -0.31 0.00 0.00 175.10 175.38 3i8h s THR 20 N 2.00 3.16 -0.17 5.32 2.01 -0.93 -1.96 115.64 125.08 3i8h s THR 20 Ca -0.01 0.97 0.01 0.00 0.31 0.00 0.00 61.69 62.96 3i8h s THR 20 Cb -0.12 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.80 3i8h s THR 20 CO -0.07 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.17 3i8h s VAL 21 N 0.04 1.70 -0.61 3.82 1.01 0.24 -1.35 120.40 125.25 3i8h s VAL 21 Ca 0.56 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 3i8h s VAL 21 Cb -0.37 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.46 3i8h s VAL 21 CO 0.39 0.41 0.87 -0.22 0.00 0.00 0.00 175.10 176.55 3i8h s LEU 22 N 1.42 4.57 0.08 3.92 2.96 0.12 0.06 118.68 131.81 3i8h s LEU 22 Ca 0.03 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.82 3i8h s LEU 22 Cb -0.14 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.00 3i8h s LEU 22 CO -0.11 -1.27 0.60 -0.69 -1.32 0.00 0.00 176.35 173.56 3i8h s VAL 23 N 3.63 4.71 0.15 1.68 1.01 0.45 -2.61 120.40 129.42 3i8h s VAL 23 Ca 0.21 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.57 3i8h s VAL 23 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3i8h s VAL 23 CO 0.12 0.54 -0.21 -1.61 0.00 0.00 0.00 175.10 173.94 3i8h s GLU 24 N -1.02 1.66 -0.28 2.72 2.02 -1.26 -1.57 118.70 120.96 3i8h s GLU 24 Ca 0.30 -1.33 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 3i8h s GLU 24 Cb -0.20 -1.99 0.13 0.00 0.10 0.00 0.00 34.13 32.17 3i8h s GLU 24 CO 0.20 0.44 0.60 -0.98 0.02 0.00 0.00 175.26 175.54 3i8h s ARG 25 N -2.38 0.53 0.00 1.61 1.70 -0.43 -4.96 118.95 115.02 3i8h s ARG 25 Ca 0.19 1.33 0.00 0.00 -0.47 0.00 0.00 55.73 56.78 3i8h s ARG 25 Cb -0.09 0.73 -0.04 0.00 -0.57 0.00 0.00 34.95 34.98 3i8h s ARG 25 CO 0.10 -0.26 0.06 1.14 -1.08 0.00 0.00 175.30 175.26 3i8h s GLN 26 N 2.84 3.00 0.26 3.89 -2.07 -1.26 -2.68 119.66 123.65 3i8h s GLN 26 Ca -0.02 -0.52 -0.18 0.00 -1.82 0.00 0.00 55.36 52.82 3i8h s GLN 26 Cb -0.12 -2.81 0.01 0.00 -1.09 0.00 0.00 33.01 29.00 3i8h s GLN 26 CO -0.18 0.64 0.63 -0.59 -1.32 0.00 0.00 175.29 174.46 3i8h s PHE 27 N -1.18 -0.00 0.52 9.60 -0.12 -0.99 -4.96 117.98 120.85 3i8h s PHE 27 Ca 0.23 -0.42 -0.22 0.00 -0.05 0.00 0.00 56.93 56.47 3i8h s PHE 27 Cb -0.12 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.73 3i8h s PHE 27 CO 0.14 -1.14 1.26 -2.14 -0.05 0.00 0.00 175.22 173.28 3i8h s PRO 28 N -3.95 3.36 -0.12 1.99 0.02 -1.26 -1.02 135.00 134.01 3i8h s PRO 28 Ca 0.15 1.99 -0.28 0.00 0.02 0.00 0.00 61.00 62.88 3i8h s PRO 28 Cb -0.04 -2.26 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 3i8h s PRO 28 CO 0.07 -0.94 0.92 -1.58 -0.33 0.00 0.00 177.00 175.14 3i8h s HIS 29 N -1.45 3.49 -0.84 6.54 2.46 0.23 -4.83 115.29 120.89 3i8h s HIS 29 Ca 0.69 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.68 3i8h s HIS 29 Cb -0.34 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 3i8h s HIS 29 CO 0.40 -0.20 0.20 -0.35 -2.47 0.00 0.00 174.74 172.32 3i8h n PRO 30 N 4.95 0.00 0.00 2.88 -0.04 -1.26 0.62 135.00 142.15 3i8h n PRO 30 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3i8h n PRO 30 Cb 0.49 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3i8h n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i8h n LEU 31 N -0.68 0.00 -0.04 1.53 7.94 -1.26 -4.88 117.00 119.60 3i8h n LEU 31 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i8h n LEU 31 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 3i8h n LEU 31 CO 0.00 0.00 0.30 -1.22 -1.11 0.00 0.00 177.39 175.36 3i8h n TYR 32 N 0.00 0.01 0.00 1.96 4.02 -1.04 -5.01 117.16 117.10 3i8h n TYR 32 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3i8h n TYR 32 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3i8h n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i8h n GLY 33 N -0.00 0.24 2.40 2.72 0.00 0.20 -4.80 105.19 105.96 3i8h n GLY 33 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3i8h n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8h n LYS 34 N 0.00 0.00 -2.89 1.61 4.81 -1.26 -1.68 118.16 118.75 3i8h n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3i8h n LYS 34 Cb 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.29 3i8h n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3i8h s VAL 35 N -0.99 4.85 -0.05 3.15 1.01 -1.26 0.74 120.40 127.84 3i8h s VAL 35 Ca 0.44 1.59 0.05 0.00 0.00 0.00 0.00 61.98 64.06 3i8h s VAL 35 Cb -0.55 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 3i8h s VAL 35 CO 0.43 -0.04 -0.19 0.27 0.00 0.00 0.00 175.10 175.56 3i8h s ILE 36 N 2.63 2.61 -0.04 2.22 -4.36 -0.19 -4.92 121.20 119.14 3i8h s ILE 36 Ca 0.36 -0.88 -0.17 0.00 -0.26 0.00 0.00 60.65 59.70 3i8h s ILE 36 Cb -0.16 -1.99 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 3i8h s ILE 36 CO 0.09 0.58 0.47 -0.54 0.24 0.00 0.00 174.94 175.77 3i8h s LYS 37 N -0.47 4.15 -0.01 0.37 1.02 -1.26 -2.34 119.74 121.20 3i8h s LYS 37 Ca 0.06 0.48 -0.07 0.00 0.02 0.00 0.00 55.97 56.46 3i8h s LYS 37 Cb -0.12 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 3i8h s LYS 37 CO 0.01 0.45 0.15 0.50 -0.92 0.00 0.00 175.35 175.54 3i8h s ARG 38 N -0.34 0.45 0.15 1.68 6.06 -1.09 -5.00 118.95 120.86 3i8h s ARG 38 Ca 0.26 -0.29 -0.01 0.00 -2.50 0.00 0.00 55.73 53.19 3i8h s ARG 38 Cb -0.16 0.19 -0.04 0.00 0.06 0.00 0.00 34.95 34.99 3i8h s ARG 38 CO 0.13 -0.10 0.07 -1.54 -2.50 0.00 0.00 175.30 171.36 3i8h s SER 39 N -1.15 0.37 0.13 -2.12 1.04 -1.26 -1.31 113.70 109.40 3i8h s SER 39 Ca -0.12 -1.26 -0.05 0.00 0.48 0.00 0.00 55.95 55.00 3i8h s SER 39 Cb -0.06 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 3i8h s SER 39 CO 0.01 -0.74 0.16 -0.75 0.98 0.00 0.00 173.24 172.90 3i8h s LYS 40 N -4.06 0.97 -0.13 4.02 2.20 -0.61 -5.00 119.74 117.12 3i8h s LYS 40 Ca 0.28 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 54.68 3i8h s LYS 40 Cb 0.07 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3i8h s LYS 40 CO 0.05 -0.31 -0.20 0.15 -0.36 0.00 0.00 175.35 174.68 3i8h s LYS 41 N -3.97 3.11 -0.00 4.03 1.02 -1.26 -0.41 119.74 122.25 3i8h s LYS 41 Ca 0.16 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.37 3i8h s LYS 41 Cb 0.05 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3i8h s LYS 41 CO -0.02 0.08 -0.10 0.71 -0.92 0.00 0.00 175.35 175.09 3i8h s TYR 42 N 0.61 2.80 -0.63 3.18 1.51 0.11 -4.87 117.35 120.07 3i8h s TYR 42 Ca -0.11 -0.09 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 3i8h s TYR 42 Cb -0.16 -1.59 0.11 0.00 -0.11 0.00 0.00 41.96 40.20 3i8h s TYR 42 CO 0.03 0.32 0.75 -0.51 -1.11 0.00 0.00 175.55 175.03 3i8h s LEU 43 N -1.27 5.36 0.18 -1.29 1.43 -1.26 0.79 118.68 122.62 3i8h s LEU 43 Ca 0.15 -1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 51.57 3i8h s LEU 43 Cb -0.11 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 3i8h s LEU 43 CO 0.06 -1.11 0.67 0.00 0.23 0.00 0.00 176.35 176.19 3i8h s ALA 44 N 2.68 3.47 0.35 4.21 0.00 -0.83 -3.88 121.76 127.77 3i8h s ALA 44 Ca 0.14 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 3i8h s ALA 44 Cb -0.22 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 3i8h s ALA 44 CO 0.05 0.36 1.00 -1.58 0.00 0.00 0.00 175.76 175.59 3i8h s HIS 45 N -1.43 3.52 -0.42 0.00 2.46 0.29 -1.94 115.29 117.76 3i8h s HIS 45 Ca 0.40 1.72 0.05 0.00 0.47 0.00 0.00 55.06 57.70 3i8h s HIS 45 Cb -0.17 -3.02 0.17 0.00 -0.13 0.00 0.00 32.58 29.43 3i8h s HIS 45 CO 0.21 -0.17 0.49 0.34 -2.47 0.00 0.00 174.74 173.15 3i8h s ASP 46 N -1.55 0.16 0.08 9.88 -1.08 -1.10 -2.59 116.67 120.46 3i8h s ASP 46 Ca 0.53 -1.81 -0.36 0.00 -0.52 0.00 0.00 52.55 50.39 3i8h s ASP 46 Cb -0.21 0.90 -0.18 0.00 -1.46 0.00 0.00 42.92 41.97 3i8h s ASP 46 CO 0.26 -0.17 1.58 -0.65 0.52 0.00 0.00 175.17 176.71 3i8h h PRO 47 N 6.24 -1.05 0.00 4.34 0.11 -1.96 -2.47 132.00 137.20 3i8h h PRO 47 Ca 0.10 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3i8h h PRO 47 Cb 1.06 0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3i8h h PRO 47 CO 0.17 -0.70 0.00 0.93 -0.21 0.00 0.00 178.00 178.19 3i8h h GLU 48 N -1.09 0.00 -6.29 1.05 3.07 -1.97 -3.46 114.58 105.90 3i8h h GLU 48 Ca -0.09 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.32 3i8h h GLU 48 Cb 0.89 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.84 3i8h h GLU 48 CO 0.07 0.00 -0.91 -1.91 -1.40 0.00 0.00 179.01 174.86 3i8h n GLU 49 N -2.36 -2.37 -1.06 2.33 4.07 -0.93 -4.87 120.64 115.46 3i8h n GLU 49 Ca -0.01 0.46 -0.13 0.00 -0.06 0.00 0.00 57.16 57.43 3i8h n GLU 49 Cb 0.09 -4.40 0.17 0.00 -0.06 0.00 0.00 31.44 27.24 3i8h n GLU 49 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3i8h n LYS 50 N -4.26 2.15 -4.11 5.31 2.85 -1.26 -4.98 118.16 113.86 3i8h n LYS 50 Ca -0.19 -3.26 -0.14 0.00 -1.05 0.00 0.00 58.31 53.66 3i8h n LYS 50 Cb 0.63 -1.97 -0.13 0.00 -0.65 0.00 0.00 35.03 32.91 3i8h n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3i8h s TYR 51 N -3.35 0.57 0.00 5.58 1.51 -1.26 -5.08 117.35 115.32 3i8h s TYR 51 Ca 0.50 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.26 3i8h s TYR 51 Cb 0.43 -0.35 0.00 0.00 -0.11 0.00 0.00 41.96 41.93 3i8h s TYR 51 CO 0.02 -0.05 0.00 0.36 -1.11 0.00 0.00 175.55 174.77 3i8h n LYS 52 N 2.20 0.13 -1.38 -0.62 0.00 -1.26 -4.97 118.16 112.26 3i8h n LYS 52 Ca -0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.79 3i8h n LYS 52 Cb 0.56 0.00 0.10 0.00 -0.00 0.00 0.00 35.03 35.69 3i8h n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i8h s LEU 53 N 0.00 3.29 0.00 -5.58 1.02 -1.26 -2.88 118.68 113.27 3i8h s LEU 53 Ca 0.00 2.36 0.00 0.00 0.02 0.00 0.00 54.13 56.51 3i8h s LEU 53 Cb 0.00 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.62 3i8h s LEU 53 CO 0.00 -2.32 0.00 0.61 0.02 0.00 0.00 176.35 174.66 3i8h n GLY 54 N 0.40 2.80 3.55 -3.19 0.00 -1.21 -4.12 105.19 103.42 3i8h n GLY 54 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3i8h n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8h n ASP 55 N 0.41 2.66 -4.61 1.61 9.92 -1.14 -2.84 116.55 122.56 3i8h n ASP 55 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 3i8h n ASP 55 Cb 0.00 -1.49 -0.06 0.00 -0.64 0.00 0.00 41.12 38.93 3i8h n ASP 55 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3i8h s VAL 56 N 9.46 4.88 0.12 2.53 1.01 -1.26 -1.77 120.40 135.36 3i8h s VAL 56 Ca 1.03 1.02 0.02 0.00 0.00 0.00 0.00 61.98 64.05 3i8h s VAL 56 Cb -0.40 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 3i8h s VAL 56 CO 0.35 -0.18 0.08 1.33 0.00 0.00 0.00 175.10 176.68 3i8h n VAL 57 N 5.44 0.00 -4.26 2.92 0.24 -0.14 0.09 118.33 122.62 3i8h n VAL 57 Ca 0.01 -0.79 -0.22 0.00 -2.04 0.00 0.00 64.34 61.31 3i8h n VAL 57 Cb 0.48 0.35 -0.12 0.00 -1.47 0.00 0.00 33.84 33.08 3i8h n VAL 57 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3i8h s GLU 58 N -2.46 1.02 0.23 7.34 2.02 -1.25 -0.66 118.70 124.94 3i8h s GLU 58 Ca 0.11 -1.07 0.11 0.00 0.02 0.00 0.00 54.97 54.14 3i8h s GLU 58 Cb 0.01 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 33.01 3i8h s GLU 58 CO 0.08 0.27 -0.20 0.42 0.02 0.00 0.00 175.26 175.85 3i8h s ILE 59 N -1.18 2.24 -0.06 -1.63 -1.09 0.24 0.22 121.20 119.94 3i8h s ILE 59 Ca 0.03 -2.23 0.01 0.00 -2.23 0.00 0.00 60.65 56.23 3i8h s ILE 59 Cb -0.10 -2.16 0.02 0.00 -1.58 0.00 0.00 42.46 38.64 3i8h s ILE 59 CO 0.03 -0.36 -0.07 -0.51 -1.23 0.00 0.00 174.94 172.80 3i8h s ILE 60 N -2.35 0.78 0.13 2.92 2.07 -0.33 -1.35 121.20 123.07 3i8h s ILE 60 Ca 0.25 -0.25 -0.35 0.00 -1.41 0.00 0.00 60.65 58.89 3i8h s ILE 60 Cb -0.05 -0.77 -0.16 0.00 0.13 0.00 0.00 42.46 41.61 3i8h s ILE 60 CO 0.11 0.28 1.22 1.21 -1.91 0.00 0.00 174.94 175.85 3i8h n GLU 61 N 4.09 1.08 -3.90 3.50 2.13 0.34 -2.81 120.64 125.07 3i8h n GLU 61 Ca -0.22 0.39 -0.09 0.00 0.66 0.00 0.00 57.16 57.89 3i8h n GLU 61 Cb 0.51 -1.93 -0.02 0.00 0.27 0.00 0.00 31.44 30.27 3i8h n GLU 61 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3i8h s SER 62 N 0.17 0.01 0.54 4.31 1.04 -0.98 -4.64 113.70 114.15 3i8h s SER 62 Ca 0.78 -0.96 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 3i8h s SER 62 Cb -0.91 0.73 -0.09 0.00 0.10 0.00 0.00 66.02 65.85 3i8h s SER 62 CO 0.50 -1.41 0.68 -1.14 0.98 0.00 0.00 173.24 172.85 3i8h n ARG 63 N -0.48 0.70 -1.99 4.02 0.63 -1.26 -4.72 116.66 113.56 3i8h n ARG 63 Ca -0.04 0.27 -0.41 0.00 -0.92 0.00 0.00 57.85 56.74 3i8h n ARG 63 Cb 0.60 -1.81 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 3i8h n ARG 63 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3i8h s PRO 64 N -2.14 4.25 -0.03 -0.14 0.02 -1.26 -4.80 135.00 130.90 3i8h s PRO 64 Ca 0.69 2.32 0.15 0.00 0.02 0.00 0.00 61.00 64.17 3i8h s PRO 64 Cb -0.48 -3.12 -0.21 0.00 0.02 0.00 0.00 34.50 30.72 3i8h s PRO 64 CO 0.54 -0.46 0.63 -0.89 -0.33 0.00 0.00 177.00 176.49 3i8h n ILE 65 N 2.64 1.44 0.00 2.83 -0.00 -0.79 -5.02 119.36 120.46 3i8h n ILE 65 Ca 0.08 -0.77 0.00 0.00 -0.00 0.00 0.00 62.75 62.06 3i8h n ILE 65 Cb 0.40 -0.87 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 3i8h n ILE 65 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3i8h n SER 66 N -2.95 0.00 -4.43 4.38 3.41 -1.21 -5.04 113.62 107.78 3i8h n SER 66 Ca -0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.05 3i8h n SER 66 Cb 1.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.97 3i8h n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i8h n LYS 67 N -0.30 0.47 -0.00 4.33 4.81 -1.26 -0.89 118.16 125.33 3i8h n LYS 67 Ca 0.00 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3i8h n LYS 67 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3i8h n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3i8h n ARG 68 N 0.45 0.00 -3.98 1.64 3.00 -1.26 -4.87 116.66 111.64 3i8h n ARG 68 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.66 3i8h n ARG 68 Cb 0.44 -3.31 -0.14 0.00 0.00 0.00 0.00 32.46 29.45 3i8h n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3i8h s LYS 69 N -0.00 1.73 -0.03 -0.14 2.20 -0.07 -4.15 119.74 119.28 3i8h s LYS 69 Ca 0.00 -2.26 0.04 0.00 -0.36 0.00 0.00 55.97 53.39 3i8h s LYS 69 Cb 0.00 -3.26 0.07 0.00 -1.51 0.00 0.00 37.83 33.13 3i8h s LYS 69 CO 0.00 -1.03 1.00 0.54 -0.36 0.00 0.00 175.35 175.51 3i8h n ARG 70 N 3.66 2.36 -4.46 4.03 3.00 -1.25 -1.89 116.66 122.11 3i8h n ARG 70 Ca 0.05 -1.68 -0.20 0.00 -0.01 0.00 0.00 57.85 56.00 3i8h n ARG 70 Cb 0.37 -1.08 -0.15 0.00 0.00 0.00 0.00 32.46 31.60 3i8h n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3i8h s PHE 71 N -1.35 0.99 -0.09 -1.55 0.08 -1.25 -2.31 117.98 112.49 3i8h s PHE 71 Ca 0.07 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 3i8h s PHE 71 Cb 0.06 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.83 3i8h s PHE 71 CO 0.01 -0.04 -0.02 1.03 -0.10 0.00 0.00 175.22 176.09 3i8h s ARG 72 N -0.14 3.01 0.63 0.44 0.52 -1.12 0.10 118.95 122.39 3i8h s ARG 72 Ca 0.02 -0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 54.58 3i8h s ARG 72 Cb -0.05 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 3i8h s ARG 72 CO -0.00 0.63 1.32 0.08 0.02 0.00 0.00 175.30 177.34 3i8h s VAL 73 N -0.68 2.00 -0.15 3.52 1.01 -1.07 -1.18 120.40 123.84 3i8h s VAL 73 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 3i8h s VAL 73 Cb -0.12 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3i8h s VAL 73 CO 0.02 -0.00 -0.31 -0.11 0.00 0.00 0.00 175.10 174.70 3i8h n LEU 74 N -1.73 1.78 -3.64 3.92 -0.00 0.60 -4.78 117.00 113.14 3i8h n LEU 74 Ca 0.15 0.30 -0.07 0.00 -0.00 0.00 0.00 56.01 56.39 3i8h n LEU 74 Cb 0.47 -0.70 -0.07 0.00 -0.00 0.00 0.00 43.42 43.13 3i8h n LEU 74 CO 0.48 -0.32 0.85 0.00 -0.00 0.00 0.00 177.39 178.40 3i8h s ARG 75 N -2.74 0.37 0.68 1.96 1.70 -1.26 -4.99 118.95 114.67 3i8h s ARG 75 Ca -0.25 0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 55.30 3i8h s ARG 75 Cb 0.04 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3i8h s ARG 75 CO 0.38 -0.05 0.73 -0.11 -1.08 0.00 0.00 175.30 175.17 3i8h n LEU 76 N 2.24 2.09 0.00 -1.89 7.94 -1.26 -3.79 117.00 122.33 3i8h n LEU 76 Ca -0.13 0.67 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 3i8h n LEU 76 Cb 0.56 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3i8h n LEU 76 CO 0.02 -2.59 0.00 0.52 -1.11 0.00 0.00 177.39 174.23 3i8h n VAL 77 N -2.22 0.00 0.00 1.96 0.31 0.11 -4.95 118.33 113.55 3i8h n VAL 77 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3i8h n VAL 77 Cb 0.49 1.54 0.00 0.00 -0.91 0.00 0.00 33.84 34.96 3i8h n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i8h n GLU 78 N 0.00 0.00 -1.39 5.55 2.13 -1.16 -4.90 120.64 120.86 3i8h n GLU 78 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3i8h n GLU 78 Cb 0.21 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.92 3i8h n GLU 78 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i8h n SER 79 N 0.00 -1.62 0.00 4.31 2.88 -1.26 -3.71 113.62 114.22 3i8h n SER 79 Ca 0.00 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3i8h n SER 79 Cb 0.00 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 3i8h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i8h n GLY 80 N 2.01 3.46 3.50 0.46 0.00 -1.13 -4.82 105.19 108.67 3i8h n GLY 80 Ca 0.12 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3i8h n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h n ARG 81 N 0.00 0.30 0.12 1.61 1.74 -1.21 -4.69 116.66 114.53 3i8h n ARG 81 Ca 0.00 -0.77 0.07 0.00 -0.77 0.00 0.00 57.85 56.38 3i8h n ARG 81 Cb 0.00 -2.95 0.03 0.00 -1.02 0.00 0.00 32.46 28.52 3i8h n ARG 81 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3i8h h MET 82 N 11.83 0.00 -0.81 5.56 2.86 -1.91 -3.31 114.93 129.15 3i8h h MET 82 Ca 0.01 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 3i8h h MET 82 Cb 1.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.63 3i8h h MET 82 CO 1.14 0.18 0.54 0.38 1.06 0.00 0.00 176.91 180.20 3i8h h ASP 83 N 0.00 0.39 0.19 1.22 2.03 -1.99 0.36 116.42 118.61 3i8h h ASP 83 Ca -0.04 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 3i8h h ASP 83 Cb 1.22 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3i8h h ASP 83 CO 0.03 0.19 -0.09 -0.07 -1.03 0.00 0.00 179.24 178.26 3i8h h LEU 84 N 0.40 -0.22 -1.63 0.15 3.38 -1.97 -2.44 115.31 112.99 3i8h h LEU 84 Ca 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i8h h LEU 84 Cb 0.97 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3i8h h LEU 84 CO -0.13 0.32 0.39 0.58 0.09 0.00 0.00 178.44 179.69 3i8h h VAL 85 N -0.99 0.00 0.07 1.22 2.07 -1.49 0.12 116.25 117.25 3i8h h VAL 85 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i8h h VAL 85 Cb 0.42 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3i8h h VAL 85 CO 0.04 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.27 3i8h h GLU 86 N 0.00 -0.09 -0.56 1.57 4.39 -0.15 -1.80 114.58 117.95 3i8h h GLU 86 Ca 0.00 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.81 3i8h h GLU 86 Cb 0.78 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.34 3i8h h GLU 86 CO 0.00 0.49 -0.23 0.87 -1.16 0.00 0.00 179.01 178.98 3i8h h LYS 87 N -0.88 -0.09 -0.41 2.33 1.79 -0.28 0.31 116.57 119.34 3i8h h LYS 87 Ca -0.01 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3i8h h LYS 87 Cb 0.61 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 3i8h h LYS 87 CO 0.01 -0.06 0.27 -0.92 -1.08 0.00 0.00 179.45 177.68 3i8h h TYR 88 N -0.09 0.50 0.18 -1.35 3.20 -1.46 -0.93 116.97 117.01 3i8h h TYR 88 Ca 0.25 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3i8h h TYR 88 Cb 0.49 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3i8h h TYR 88 CO -0.54 0.31 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.14 3i8h h LEU 89 N 0.54 -0.21 -2.06 2.82 3.38 0.39 -2.90 115.31 117.26 3i8h h LEU 89 Ca 0.15 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3i8h h LEU 89 Cb -0.03 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3i8h h LEU 89 CO -0.03 0.34 0.35 0.40 0.09 0.00 0.00 178.44 179.58 3i8h h ILE 90 N -0.97 0.52 0.46 1.22 1.08 -0.69 -0.86 117.51 118.27 3i8h h ILE 90 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3i8h h ILE 90 Cb 0.44 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3i8h h ILE 90 CO 0.04 0.00 -0.22 -0.09 -0.69 0.00 0.00 178.15 177.19 3i8h h ARG 91 N 0.00 -0.59 -0.97 2.37 2.43 -1.18 -2.65 114.38 113.78 3i8h h ARG 91 Ca 0.18 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.58 3i8h h ARG 91 Cb 0.87 0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 30.45 3i8h h ARG 91 CO -0.00 -0.39 0.57 0.00 -1.51 0.00 0.00 179.97 178.63 3i8h h ARG 92 N -0.83 0.67 -0.18 0.20 2.47 -1.16 -1.97 114.38 113.57 3i8h h ARG 92 Ca -0.06 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3i8h h ARG 92 Cb 0.47 -0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 28.58 3i8h h ARG 92 CO 0.10 0.44 -0.23 0.37 0.56 0.00 0.00 179.97 181.22 3i8h h GLN 93 N 0.69 -0.25 -0.78 0.04 4.15 -1.14 -1.44 115.11 116.38 3i8h h GLN 93 Ca 0.57 0.02 0.23 0.00 0.77 0.00 0.00 58.65 60.23 3i8h h GLN 93 Cb 0.93 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 3i8h h GLN 93 CO -0.41 -0.17 0.61 -0.91 -1.93 0.00 0.00 178.83 176.03 3i8h h ASN 94 N -0.26 0.00 -0.89 -0.69 -0.26 -0.98 0.11 115.58 112.61 3i8h h ASN 94 Ca 0.12 0.00 0.16 0.00 -0.56 0.00 0.00 56.30 56.02 3i8h h ASN 94 Cb 0.44 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.63 3i8h h ASN 94 CO -0.33 0.00 0.58 1.88 -1.06 0.00 0.00 177.43 178.50 3i8h h TYR 95 N 0.00 0.75 -0.02 1.19 -1.99 -1.29 0.89 116.97 116.49 3i8h h TYR 95 Ca 0.37 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.11 3i8h h TYR 95 Cb 1.59 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 40.09 3i8h h TYR 95 CO 0.00 0.25 -0.04 1.49 -0.00 0.00 0.00 178.16 179.86 3i8h h GLU 96 N 0.61 0.03 -0.17 4.88 4.57 -0.88 0.14 114.58 123.74 3i8h h GLU 96 Ca 0.46 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3i8h h GLU 96 Cb 0.86 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3i8h h GLU 96 CO -0.21 0.07 0.00 0.43 -1.18 0.00 0.00 179.01 178.12 3i8h n SER 97 N -4.47 1.25 -0.59 1.04 7.64 0.31 -3.73 113.62 115.05 3i8h n SER 97 Ca -0.03 -1.78 0.05 0.00 1.01 0.00 0.00 58.87 58.13 3i8h n SER 97 Cb 0.13 -0.11 0.13 0.00 -1.01 0.00 0.00 64.21 63.35 3i8h n SER 97 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i8h n LEU 98 N 0.10 2.74 -4.72 -3.43 4.77 0.47 -5.03 117.00 111.90 3i8h n LEU 98 Ca 0.13 -1.84 -0.35 0.00 -0.03 0.00 0.00 56.01 53.91 3i8h n LEU 98 Cb 0.24 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3i8h n LEU 98 CO 0.10 0.67 0.84 -0.94 -1.33 0.00 0.00 177.39 176.73 3i8h s SER 99 N -0.98 4.23 -1.11 -1.43 1.04 -1.23 -4.80 113.70 109.43 3i8h s SER 99 Ca 0.21 2.49 -0.22 0.00 0.48 0.00 0.00 55.95 58.91 3i8h s SER 99 Cb 0.11 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 3i8h s SER 99 CO 0.15 -2.24 1.93 1.17 0.98 0.00 0.00 173.24 175.22 3i8h n LYS 100 N -2.47 1.61 0.00 4.02 3.00 -1.26 -5.15 118.16 117.91 3i8h n LYS 100 Ca 0.15 -2.36 0.00 0.00 -0.00 0.00 0.00 58.31 56.09 3i8h n LYS 100 Cb 0.49 -3.57 0.00 0.00 0.00 0.00 0.00 35.03 31.95 3i8h n LYS 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94