#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r n LYS 3 N 0.00 1.38 -1.69 0.54 5.02 -1.26 -4.87 118.16 117.28 2x9r n LYS 3 Ca 0.00 0.37 -0.39 0.00 -2.02 0.00 0.00 58.31 56.27 2x9r n LYS 3 Cb 0.00 -2.74 0.04 0.00 -0.02 0.00 0.00 35.03 32.31 2x9r n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2x9r n LYS 4 N 8.41 1.43 -3.72 1.97 3.00 -1.26 -4.62 118.16 123.37 2x9r n LYS 4 Ca 0.37 0.53 -0.17 0.00 -0.00 0.00 0.00 58.31 59.04 2x9r n LYS 4 Cb 0.31 -2.38 -0.17 0.00 0.00 0.00 0.00 35.03 32.79 2x9r n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2x9r s VAL 5 N -1.34 -0.09 0.46 3.15 1.01 -1.26 -0.26 120.40 122.07 2x9r s VAL 5 Ca 0.71 0.32 0.05 0.00 0.00 0.00 0.00 61.98 63.06 2x9r s VAL 5 Cb -0.44 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2x9r s VAL 5 CO 0.50 0.13 0.08 -0.76 0.00 0.00 0.00 175.10 175.05 2x9r s LEU 6 N 1.63 2.70 -0.02 3.92 1.43 0.05 -4.91 118.68 123.48 2x9r s LEU 6 Ca -0.02 -1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 51.61 2x9r s LEU 6 Cb -0.12 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.12 2x9r s LEU 6 CO -0.03 -0.68 0.14 0.42 0.23 0.00 0.00 176.35 176.42 2x9r s THR 7 N -2.76 0.05 -0.02 5.49 -4.23 -1.26 0.67 115.64 113.58 2x9r s THR 7 Ca 0.25 -0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 2x9r s THR 7 Cb 0.04 -0.35 0.05 0.00 1.34 0.00 0.00 72.50 73.59 2x9r s THR 7 CO 0.14 -0.24 0.70 0.61 -0.54 0.00 0.00 174.62 175.28 2x9r n GLY 8 N 2.04 0.36 3.90 3.99 0.00 0.86 -4.55 105.19 111.79 2x9r n GLY 8 Ca -0.19 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 2x9r n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x9r s VAL 9 N -2.06 5.04 -0.44 1.61 -7.23 -1.03 0.10 120.40 116.39 2x9r s VAL 9 Ca 0.16 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.28 2x9r s VAL 9 Cb -0.00 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.29 2x9r s VAL 9 CO -0.01 -0.18 0.51 -0.69 -0.31 0.00 0.00 175.10 174.42 2x9r s VAL 10 N -1.93 5.00 -0.53 1.32 1.01 -0.35 0.58 120.40 125.51 2x9r s VAL 10 Ca 0.44 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2x9r s VAL 10 Cb -0.11 -4.13 0.44 0.00 0.00 0.00 0.00 36.38 32.58 2x9r s VAL 10 CO 0.27 -0.54 1.65 1.33 0.00 0.00 0.00 175.10 177.81 2x9r n VAL 11 N 5.54 3.12 0.00 2.92 0.24 0.10 -3.03 118.33 127.22 2x9r n VAL 11 Ca -0.06 -3.72 0.00 0.00 -2.04 0.00 0.00 64.34 58.52 2x9r n VAL 11 Cb 0.47 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 2x9r n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2x9r n SER 12 N -0.77 0.00 0.00 -1.34 2.88 -1.25 -4.87 113.62 108.28 2x9r n SER 12 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2x9r n SER 12 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 2x9r n SER 12 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2x9r n ASP 13 N 0.00 1.07 0.00 -3.46 5.75 -1.26 -2.55 116.55 116.10 2x9r n ASP 13 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 2x9r n ASP 13 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2x9r n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2x9r n LYS 14 N -0.14 0.00 -4.23 0.11 5.02 -1.26 -4.71 118.16 112.94 2x9r n LYS 14 Ca 0.00 0.16 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 2x9r n LYS 14 Cb 0.14 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 2x9r n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2x9r s MET 15 N -2.25 2.41 -0.24 1.97 -1.94 -1.26 -5.08 119.30 112.91 2x9r s MET 15 Ca 0.00 -1.23 -0.29 0.00 -1.71 0.00 0.00 55.69 52.46 2x9r s MET 15 Cb 0.00 -2.29 -0.00 0.00 2.01 0.00 0.00 34.83 34.54 2x9r s MET 15 CO 0.00 0.41 1.25 -0.65 -0.01 0.00 0.00 175.02 176.02 2x9r s GLN 16 N -3.35 4.08 -1.47 2.03 -0.21 -1.26 -3.50 119.66 115.99 2x9r s GLN 16 Ca 0.30 1.41 -0.08 0.00 0.02 0.00 0.00 55.36 57.01 2x9r s GLN 16 Cb -0.08 -3.80 0.03 0.00 1.00 0.00 0.00 33.01 30.16 2x9r s GLN 16 CO 0.20 -0.90 0.72 1.63 -2.12 0.00 0.00 175.29 174.82 2x9r n LYS 17 N 6.92 -5.15 -3.69 2.91 5.02 -1.26 -4.98 118.16 117.93 2x9r n LYS 17 Ca 0.14 0.76 -0.14 0.00 -2.02 0.00 0.00 58.31 57.05 2x9r n LYS 17 Cb 0.46 -5.63 -0.08 0.00 -0.02 0.00 0.00 35.03 29.76 2x9r n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x9r s THR 18 N -3.16 0.03 0.02 -0.18 2.01 -1.23 -2.20 115.64 110.93 2x9r s THR 18 Ca 0.42 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2x9r s THR 18 Cb -0.20 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2x9r s THR 18 CO 0.52 -0.13 -0.04 0.68 -0.69 0.00 0.00 174.62 174.95 2x9r s VAL 19 N -0.86 0.27 -0.40 3.82 -7.23 -0.67 -4.09 120.40 111.23 2x9r s VAL 19 Ca -0.09 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.19 2x9r s VAL 19 Cb -0.03 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.58 2x9r s VAL 19 CO 0.05 -0.30 0.33 -0.89 -0.31 0.00 0.00 175.10 173.98 2x9r s THR 20 N -1.03 5.21 -0.25 5.32 2.01 -1.06 -0.78 115.64 125.07 2x9r s THR 20 Ca -0.09 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 2x9r s THR 20 Cb -0.07 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2x9r s THR 20 CO -0.00 -0.30 0.15 -0.69 -0.69 0.00 0.00 174.62 173.09 2x9r s VAL 21 N 1.83 5.18 -0.21 3.82 1.01 -0.18 -0.72 120.40 131.12 2x9r s VAL 21 Ca 0.07 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 2x9r s VAL 21 Cb -0.18 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2x9r s VAL 21 CO 0.11 0.32 0.63 -0.22 0.00 0.00 0.00 175.10 175.94 2x9r s LEU 22 N 1.29 4.12 -0.10 3.92 2.96 0.20 -1.65 118.68 129.41 2x9r s LEU 22 Ca 0.07 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 2x9r s LEU 22 Cb -0.14 -2.88 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 2x9r s LEU 22 CO 0.06 -0.30 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.86 2x9r s VAL 23 N 2.07 2.08 0.50 1.68 1.01 -0.70 -2.46 120.40 124.57 2x9r s VAL 23 Ca 0.28 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2x9r s VAL 23 Cb -0.16 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2x9r s VAL 23 CO 0.10 0.56 0.40 -1.61 0.00 0.00 0.00 175.10 174.54 2x9r s GLU 24 N 0.31 2.33 -0.18 2.72 2.02 -1.26 -1.09 118.70 123.55 2x9r s GLU 24 Ca -0.18 -1.85 -0.32 0.00 0.02 0.00 0.00 54.97 52.63 2x9r s GLU 24 Cb -0.18 -2.19 0.14 0.00 0.10 0.00 0.00 34.13 32.00 2x9r s GLU 24 CO 0.09 -0.47 1.15 -0.98 0.02 0.00 0.00 175.26 175.07 2x9r s ARG 25 N -4.22 0.38 0.48 1.61 1.70 -0.69 -4.97 118.95 113.24 2x9r s ARG 25 Ca 0.40 -0.06 0.04 0.00 -0.47 0.00 0.00 55.73 55.63 2x9r s ARG 25 Cb -0.02 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 2x9r s ARG 25 CO 0.24 -0.15 0.07 -0.65 -1.08 0.00 0.00 175.30 173.73 2x9r s GLN 26 N -2.00 2.15 0.00 3.89 -0.21 -1.26 -1.73 119.66 120.49 2x9r s GLN 26 Ca 0.07 -2.22 0.00 0.00 0.02 0.00 0.00 55.36 53.23 2x9r s GLN 26 Cb -0.01 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.32 2x9r s GLN 26 CO -0.05 -0.29 0.00 1.97 -2.12 0.00 0.00 175.29 174.81 2x9r n PHE 27 N -1.25 0.00 -2.15 0.91 1.16 -0.99 -4.98 117.46 110.17 2x9r n PHE 27 Ca -0.11 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.04 2x9r n PHE 27 Cb 0.66 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.51 2x9r n PHE 27 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 2x9r s PRO 28 N -2.00 4.24 -0.03 3.97 0.02 -1.26 -1.72 135.00 138.22 2x9r s PRO 28 Ca 0.00 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 2x9r s PRO 28 Cb 0.00 -3.71 -0.07 0.00 0.02 0.00 0.00 34.50 30.74 2x9r s PRO 28 CO 0.00 -0.68 1.89 -1.58 -0.33 0.00 0.00 177.00 176.30 2x9r s HIS 29 N 2.99 1.49 0.34 6.54 2.46 -0.82 -4.85 115.29 123.44 2x9r s HIS 29 Ca 0.67 -0.15 0.30 0.00 0.47 0.00 0.00 55.06 56.35 2x9r s HIS 29 Cb -0.32 -4.12 1.09 0.00 -0.13 0.00 0.00 32.58 29.10 2x9r s HIS 29 CO 0.27 -4.86 1.01 -0.35 -2.47 0.00 0.00 174.74 168.34 2x9r n PRO 30 N 7.57 -0.01 0.00 2.88 -0.04 -1.26 -0.99 135.00 143.15 2x9r n PRO 30 Ca 0.20 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 2x9r n PRO 30 Cb 0.42 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2x9r n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2x9r n LEU 31 N -3.41 0.11 -1.15 1.53 7.94 -1.26 -4.82 117.00 115.95 2x9r n LEU 31 Ca 0.28 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.30 2x9r n LEU 31 Cb 1.25 0.00 0.26 0.00 0.53 0.00 0.00 43.42 45.46 2x9r n LEU 31 CO 0.25 0.02 0.73 -1.22 -1.11 0.00 0.00 177.39 176.06 2x9r n TYR 32 N -1.32 0.64 0.00 1.96 4.02 -1.07 -4.98 117.16 116.40 2x9r n TYR 32 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 2x9r n TYR 32 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 2x9r n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x9r n GLY 33 N 1.51 0.43 1.42 2.72 0.00 -0.16 -4.87 105.19 106.23 2x9r n GLY 33 Ca 0.20 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2x9r n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x9r n LYS 34 N 0.00 0.00 -2.50 1.61 4.81 -1.26 -2.08 118.16 118.74 2x9r n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2x9r n LYS 34 Cb 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 35.03 34.60 2x9r n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2x9r s VAL 35 N -0.43 4.30 0.06 3.15 1.01 -1.26 -1.95 120.40 125.28 2x9r s VAL 35 Ca 0.27 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.98 2x9r s VAL 35 Cb -0.38 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 2x9r s VAL 35 CO 0.23 0.06 -0.25 0.27 0.00 0.00 0.00 175.10 175.41 2x9r s ILE 36 N 1.66 2.26 -0.02 2.22 -4.36 -0.70 -4.94 121.20 117.32 2x9r s ILE 36 Ca 0.56 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.54 2x9r s ILE 36 Cb -0.25 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2x9r s ILE 36 CO 0.25 0.32 -0.02 -0.75 0.24 0.00 0.00 174.94 174.98 2x9r s LYS 37 N -1.39 2.76 0.06 0.37 2.20 -1.26 -2.35 119.74 120.12 2x9r s LYS 37 Ca 0.13 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 2x9r s LYS 37 Cb -0.10 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.57 2x9r s LYS 37 CO 0.03 0.63 0.16 0.50 -0.36 0.00 0.00 175.35 176.31 2x9r s ARG 38 N -1.38 0.71 0.18 4.03 6.06 -0.71 -4.99 118.95 122.85 2x9r s ARG 38 Ca 0.18 -0.79 0.03 0.00 -2.50 0.00 0.00 55.73 52.64 2x9r s ARG 38 Cb -0.11 0.29 -0.05 0.00 0.06 0.00 0.00 34.95 35.14 2x9r s ARG 38 CO 0.08 -0.20 -0.03 -1.54 -2.50 0.00 0.00 175.30 171.10 2x9r s SER 39 N -2.39 1.56 -0.12 -2.12 1.04 -1.26 -1.70 113.70 108.71 2x9r s SER 39 Ca -0.01 -1.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.09 2x9r s SER 39 Cb 0.01 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.23 2x9r s SER 39 CO -0.07 -0.48 0.50 -0.75 0.98 0.00 0.00 173.24 173.42 2x9r s LYS 40 N -3.85 0.70 -0.12 4.02 2.20 -0.25 -5.01 119.74 117.43 2x9r s LYS 40 Ca 0.23 0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 56.17 2x9r s LYS 40 Cb 0.05 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 2x9r s LYS 40 CO 0.04 -0.15 0.17 0.15 -0.36 0.00 0.00 175.35 175.20 2x9r s LYS 41 N -0.38 3.60 -0.08 4.03 1.02 -1.26 -1.73 119.74 124.94 2x9r s LYS 41 Ca -0.05 -0.08 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2x9r s LYS 41 Cb -0.03 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 2x9r s LYS 41 CO 0.03 0.70 -0.19 0.71 -0.92 0.00 0.00 175.35 175.69 2x9r s TYR 42 N -0.83 2.05 -0.47 3.18 1.51 -0.66 -4.96 117.35 117.17 2x9r s TYR 42 Ca 0.15 -0.81 -0.21 0.00 -1.01 0.00 0.00 57.07 55.19 2x9r s TYR 42 Cb -0.12 -1.41 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 2x9r s TYR 42 CO 0.04 -0.35 0.71 -0.51 -1.11 0.00 0.00 175.55 174.33 2x9r s LEU 43 N 0.47 4.50 0.03 -1.29 1.43 -1.26 -1.01 118.68 121.56 2x9r s LEU 43 Ca -0.17 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2x9r s LEU 43 Cb -0.17 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2x9r s LEU 43 CO 0.06 -0.89 0.04 0.00 0.23 0.00 0.00 176.35 175.79 2x9r s ALA 44 N 3.03 3.42 -0.10 4.21 0.00 0.04 -4.18 121.76 128.18 2x9r s ALA 44 Ca 0.23 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2x9r s ALA 44 Cb -0.15 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2x9r s ALA 44 CO 0.18 0.69 1.12 -1.58 0.00 0.00 0.00 175.76 176.17 2x9r s HIS 45 N -1.23 3.30 -0.59 0.00 2.46 0.58 -1.68 115.29 118.14 2x9r s HIS 45 Ca 0.24 1.36 0.04 0.00 0.47 0.00 0.00 55.06 57.18 2x9r s HIS 45 Cb -0.12 -3.33 0.16 0.00 -0.13 0.00 0.00 32.58 29.17 2x9r s HIS 45 CO 0.15 -0.86 0.41 0.34 -2.47 0.00 0.00 174.74 172.32 2x9r s ASP 46 N 1.35 3.75 0.00 9.88 3.68 -0.94 -2.09 116.67 132.30 2x9r s ASP 46 Ca 0.52 -3.47 0.00 0.00 2.13 0.00 0.00 52.55 51.73 2x9r s ASP 46 Cb -0.21 -1.25 0.00 0.00 -1.45 0.00 0.00 42.92 40.01 2x9r s ASP 46 CO 0.18 -0.13 0.06 -0.81 0.13 0.00 0.00 175.17 174.60 2x9r n PRO 47 N 2.43 0.08 0.00 4.34 -0.04 -1.26 -1.49 135.00 139.06 2x9r n PRO 47 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2x9r n PRO 47 Cb 0.38 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2x9r n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2x9r n GLU 48 N -0.01 0.00 -4.01 0.54 1.02 -1.26 -5.04 120.64 111.88 2x9r n GLU 48 Ca 0.00 -0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 2x9r n GLU 48 Cb 0.01 -0.19 -0.02 0.00 -0.02 0.00 0.00 31.44 31.22 2x9r n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2x9r n GLU 49 N 0.00 -1.72 -0.13 3.49 -0.58 -0.56 -4.86 120.64 116.29 2x9r n GLU 49 Ca 0.00 0.27 0.11 0.00 -0.42 0.00 0.00 57.16 57.12 2x9r n GLU 49 Cb 0.27 -3.82 0.17 0.00 -0.57 0.00 0.00 31.44 27.48 2x9r n GLU 49 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2x9r n LYS 50 N -4.54 2.28 -4.01 3.49 2.85 -1.26 -4.82 118.16 112.15 2x9r n LYS 50 Ca -0.23 -2.08 -0.33 0.00 -1.05 0.00 0.00 58.31 54.62 2x9r n LYS 50 Cb 0.65 -1.45 -0.14 0.00 -0.65 0.00 0.00 35.03 33.43 2x9r n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2x9r s TYR 51 N -1.50 3.32 0.00 5.58 1.51 -1.26 -5.10 117.35 119.89 2x9r s TYR 51 Ca 0.33 -2.25 0.00 0.00 -1.01 0.00 0.00 57.07 54.14 2x9r s TYR 51 Cb 0.20 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2x9r s TYR 51 CO 0.28 -0.87 0.00 0.36 -1.11 0.00 0.00 175.55 174.22 2x9r n LYS 52 N 4.48 2.00 -1.17 -0.62 0.00 -1.26 -4.90 118.16 116.68 2x9r n LYS 52 Ca -0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.87 2x9r n LYS 52 Cb 0.42 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.57 2x9r n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2x9r s LEU 53 N 0.00 3.12 0.00 -5.58 1.02 -1.26 -3.05 118.68 112.92 2x9r s LEU 53 Ca 0.00 2.19 0.00 0.00 0.02 0.00 0.00 54.13 56.34 2x9r s LEU 53 Cb 0.00 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.64 2x9r s LEU 53 CO 0.00 -2.47 0.00 0.61 0.02 0.00 0.00 176.35 174.51 2x9r n GLY 54 N 0.01 1.58 3.65 -3.19 0.00 -1.17 -4.48 105.19 101.59 2x9r n GLY 54 Ca 0.12 -0.16 -0.48 0.00 0.00 0.00 0.00 46.02 45.50 2x9r n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x9r n ASP 55 N 1.67 2.67 -4.33 1.61 9.92 -1.17 -2.51 116.55 124.41 2x9r n ASP 55 Ca 0.00 1.09 -0.39 0.00 -0.53 0.00 0.00 54.79 54.96 2x9r n ASP 55 Cb 0.00 -1.35 -0.12 0.00 -0.64 0.00 0.00 41.12 39.01 2x9r n ASP 55 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x9r s VAL 56 N 0.96 4.14 0.40 2.53 1.01 -0.41 -1.21 120.40 127.83 2x9r s VAL 56 Ca 0.81 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2x9r s VAL 56 Cb -0.77 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2x9r s VAL 56 CO 0.42 -0.14 0.05 0.68 0.00 0.00 0.00 175.10 176.10 2x9r s VAL 57 N 1.48 1.27 -0.08 2.92 -7.23 0.12 -1.23 120.40 117.64 2x9r s VAL 57 Ca 0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2x9r s VAL 57 Cb -0.19 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2x9r s VAL 57 CO 0.04 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.12 2x9r s GLU 58 N -3.81 2.89 0.06 4.82 2.02 -1.09 -0.10 118.70 123.50 2x9r s GLU 58 Ca 0.27 -0.61 0.09 0.00 0.02 0.00 0.00 54.97 54.74 2x9r s GLU 58 Cb 0.06 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 2x9r s GLU 58 CO 0.13 0.52 -0.26 0.42 0.02 0.00 0.00 175.26 176.09 2x9r s ILE 59 N -0.44 2.17 0.01 -1.63 -1.09 0.21 -0.62 121.20 119.80 2x9r s ILE 59 Ca 0.06 -1.44 0.07 0.00 -2.23 0.00 0.00 60.65 57.12 2x9r s ILE 59 Cb -0.12 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 2x9r s ILE 59 CO 0.02 0.33 -0.22 -0.51 -1.23 0.00 0.00 174.94 173.32 2x9r s ILE 60 N -0.84 2.40 -0.04 2.92 2.07 -0.97 -0.77 121.20 125.96 2x9r s ILE 60 Ca 0.12 -1.14 -0.36 0.00 -1.41 0.00 0.00 60.65 57.85 2x9r s ILE 60 Cb -0.10 -1.92 -0.14 0.00 0.13 0.00 0.00 42.46 40.42 2x9r s ILE 60 CO 0.03 0.47 1.64 1.21 -1.91 0.00 0.00 174.94 176.38 2x9r n GLU 61 N 2.04 1.64 -4.45 3.50 2.13 0.64 -2.71 120.64 123.43 2x9r n GLU 61 Ca -0.16 0.60 -0.22 0.00 0.66 0.00 0.00 57.16 58.03 2x9r n GLU 61 Cb 0.52 -2.33 -0.10 0.00 0.27 0.00 0.00 31.44 29.80 2x9r n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2x9r s SER 62 N 2.32 2.34 0.26 4.31 0.01 -0.93 -4.84 113.70 117.16 2x9r s SER 62 Ca 0.89 -1.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 2x9r s SER 62 Cb -0.86 0.09 -0.09 0.00 0.21 0.00 0.00 66.02 65.37 2x9r s SER 62 CO 0.51 -0.70 1.28 -0.60 0.41 0.00 0.00 173.24 174.14 2x9r s ARG 63 N -3.87 4.41 -0.19 12.44 3.52 -1.26 -4.57 118.95 129.43 2x9r s ARG 63 Ca 0.33 2.08 -0.42 0.00 -0.13 0.00 0.00 55.73 57.59 2x9r s ARG 63 Cb 0.07 -3.15 -0.19 0.00 -1.56 0.00 0.00 34.95 30.12 2x9r s ARG 63 CO 0.15 -0.16 1.36 -2.30 -0.81 0.00 0.00 175.30 173.54 2x9r n PRO 64 N 1.75 0.29 0.00 5.12 -0.02 -1.26 -4.76 135.00 136.12 2x9r n PRO 64 Ca 0.03 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2x9r n PRO 64 Cb 0.43 -1.65 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 2x9r n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2x9r n ILE 65 N 2.83 0.00 0.00 4.25 5.41 0.93 -5.02 119.36 127.77 2x9r n ILE 65 Ca 0.24 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2x9r n ILE 65 Cb 0.05 1.03 0.00 0.00 -0.71 0.00 0.00 39.64 40.01 2x9r n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2x9r n SER 66 N -1.14 0.00 -4.59 4.38 3.41 -1.21 -4.94 113.62 109.52 2x9r n SER 66 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.30 2x9r n SER 66 Cb 0.24 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.30 2x9r n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2x9r n LYS 67 N -0.90 0.15 0.00 4.33 4.81 -1.26 -2.00 118.16 123.28 2x9r n LYS 67 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2x9r n LYS 67 Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.85 2x9r n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2x9r n ARG 68 N -2.39 0.00 -3.44 1.64 1.74 -1.26 -4.84 116.66 108.11 2x9r n ARG 68 Ca 0.12 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 2x9r n ARG 68 Cb 0.51 -2.86 -0.06 0.00 -1.02 0.00 0.00 32.46 29.03 2x9r n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x9r s LYS 69 N 0.00 2.87 -0.20 5.56 1.02 -0.85 -4.37 119.74 123.77 2x9r s LYS 69 Ca 0.00 -1.95 0.13 0.00 0.02 0.00 0.00 55.97 54.17 2x9r s LYS 69 Cb 0.00 -4.13 0.44 0.00 -0.52 0.00 0.00 37.83 33.62 2x9r s LYS 69 CO 0.00 -1.26 1.19 0.54 -0.92 0.00 0.00 175.35 174.91 2x9r n ARG 70 N 4.72 1.90 -3.68 1.68 3.00 -1.26 -0.05 116.66 122.98 2x9r n ARG 70 Ca -0.04 -3.35 -0.09 0.00 -0.01 0.00 0.00 57.85 54.35 2x9r n ARG 70 Cb 0.41 -1.54 -0.09 0.00 0.00 0.00 0.00 32.46 31.24 2x9r n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2x9r s PHE 71 N -2.87 -0.76 0.12 -1.55 0.08 -1.26 -2.20 117.98 109.54 2x9r s PHE 71 Ca 0.40 1.59 0.01 0.00 0.12 0.00 0.00 56.93 59.05 2x9r s PHE 71 Cb 0.38 0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 43.18 2x9r s PHE 71 CO -0.05 -0.40 0.27 1.03 -0.10 0.00 0.00 175.22 175.96 2x9r s ARG 72 N 1.40 3.45 -0.40 0.44 0.52 -1.10 -0.30 118.95 122.96 2x9r s ARG 72 Ca -0.09 -0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 54.35 2x9r s ARG 72 Cb -0.07 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.44 2x9r s ARG 72 CO -0.14 0.54 1.01 0.08 0.02 0.00 0.00 175.30 176.81 2x9r s VAL 73 N -1.66 4.45 0.00 3.52 1.01 -0.89 -2.29 120.40 124.55 2x9r s VAL 73 Ca 0.35 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2x9r s VAL 73 Cb -0.12 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2x9r s VAL 73 CO 0.28 -0.70 0.00 -0.11 0.00 0.00 0.00 175.10 174.58 2x9r n LEU 74 N 7.14 0.00 -4.15 3.92 -0.00 0.20 -4.97 117.00 119.14 2x9r n LEU 74 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.99 2x9r n LEU 74 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 2x9r n LEU 74 CO 0.63 0.00 -0.39 0.00 -0.00 0.00 0.00 177.39 177.63 2x9r s ARG 75 N 0.00 0.79 0.21 1.96 1.70 -1.23 -4.99 118.95 117.39 2x9r s ARG 75 Ca 0.00 -1.25 -0.20 0.00 -0.47 0.00 0.00 55.73 53.81 2x9r s ARG 75 Cb 0.00 -0.22 -0.08 0.00 -0.57 0.00 0.00 34.95 34.08 2x9r s ARG 75 CO 0.00 -0.01 0.73 -1.17 -1.08 0.00 0.00 175.30 173.77 2x9r s LEU 76 N -2.82 4.37 0.00 -1.89 2.96 -1.26 -2.68 118.68 117.35 2x9r s LEU 76 Ca 0.09 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 2x9r s LEU 76 Cb 0.03 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2x9r s LEU 76 CO -0.04 0.06 0.00 0.52 -1.32 0.00 0.00 176.35 175.57 2x9r n VAL 77 N 0.84 0.00 -3.18 1.68 0.31 -0.37 -5.00 118.33 112.62 2x9r n VAL 77 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 2x9r n VAL 77 Cb 0.51 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 2x9r n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2x9r s GLU 78 N 1.73 3.87 -0.03 5.55 -1.05 -1.23 -4.89 118.70 122.64 2x9r s GLU 78 Ca 0.00 0.18 -0.23 0.00 -0.15 0.00 0.00 54.97 54.77 2x9r s GLU 78 Cb 0.00 -3.73 -0.04 0.00 -0.44 0.00 0.00 34.13 29.91 2x9r s GLU 78 CO 0.00 -0.54 0.70 0.45 0.95 0.00 0.00 175.26 176.82 2x9r s SER 79 N 1.65 7.04 0.00 0.83 0.15 -1.26 -1.28 113.70 120.83 2x9r s SER 79 Ca 0.23 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2x9r s SER 79 Cb -0.15 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2x9r s SER 79 CO 0.12 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2x9r n GLY 80 N 2.80 -0.93 2.70 9.45 0.00 -1.11 -4.85 105.19 113.24 2x9r n GLY 80 Ca -0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 2x9r n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9r n ARG 81 N 1.01 1.18 0.16 1.61 5.12 -1.05 -4.87 116.66 119.83 2x9r n ARG 81 Ca 0.00 -1.89 0.09 0.00 -1.93 0.00 0.00 57.85 54.12 2x9r n ARG 81 Cb 0.00 -0.18 0.48 0.00 -1.16 0.00 0.00 32.46 31.60 2x9r n ARG 81 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2x9r n MET 82 N -0.49 0.12 0.24 5.56 2.81 -1.26 -1.06 117.12 123.03 2x9r n MET 82 Ca -0.02 0.60 0.08 0.00 -1.81 0.00 0.00 57.70 56.55 2x9r n MET 82 Cb 0.84 -2.01 0.60 0.00 -0.71 0.00 0.00 33.22 31.94 2x9r n MET 82 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2x9r h ASP 83 N 0.00 0.00 0.11 7.83 2.03 -1.98 -1.54 116.42 122.87 2x9r h ASP 83 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 2x9r h ASP 83 Cb 0.25 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.74 2x9r h ASP 83 CO 0.00 0.12 -1.90 0.18 -1.03 0.00 0.00 179.24 176.61 2x9r n LEU 84 N -4.21 2.54 -0.37 0.15 4.77 -0.23 -3.47 117.00 116.19 2x9r n LEU 84 Ca -0.03 0.24 0.28 0.00 -0.03 0.00 0.00 56.01 56.47 2x9r n LEU 84 Cb 0.20 -1.10 0.55 0.00 -2.33 0.00 0.00 43.42 40.74 2x9r n LEU 84 CO 0.34 0.78 1.21 0.58 -1.33 0.00 0.00 177.39 178.98 2x9r h VAL 85 N -0.07 0.36 0.25 4.08 2.07 -1.41 0.52 116.25 122.06 2x9r h VAL 85 Ca -0.42 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2x9r h VAL 85 Cb 1.94 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2x9r h VAL 85 CO 0.05 0.05 -0.12 -0.33 0.02 0.00 0.00 177.57 177.24 2x9r h GLU 86 N 0.28 -0.32 -1.16 1.57 4.39 -1.40 0.15 114.58 118.09 2x9r h GLU 86 Ca 0.69 0.02 0.44 0.00 0.34 0.00 0.00 59.36 60.85 2x9r h GLU 86 Cb 1.89 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 30.46 2x9r h GLU 86 CO -0.37 0.04 0.69 1.63 -1.16 0.00 0.00 179.01 179.84 2x9r n LYS 87 N -5.05 -0.05 -0.03 2.33 4.76 0.17 0.75 118.16 121.05 2x9r n LYS 87 Ca -0.09 1.30 -0.00 0.00 -2.87 0.00 0.00 58.31 56.65 2x9r n LYS 87 Cb 0.26 -2.43 -0.00 0.00 -1.84 0.00 0.00 35.03 31.02 2x9r n LYS 87 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2x9r h TYR 88 N 0.00 0.00 -1.00 2.13 3.20 -0.97 -3.12 116.97 117.22 2x9r h TYR 88 Ca 0.85 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.93 2x9r h TYR 88 Cb 2.48 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 40.64 2x9r h TYR 88 CO -0.01 0.00 0.59 -0.07 -1.64 0.00 0.00 178.16 177.04 2x9r h LEU 89 N -0.57 0.73 -0.48 2.82 3.38 0.63 0.03 115.31 121.85 2x9r h LEU 89 Ca 0.00 0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 2x9r h LEU 89 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2x9r h LEU 89 CO 0.00 0.21 -0.71 0.40 0.09 0.00 0.00 178.44 178.43 2x9r h ILE 90 N 0.69 1.42 0.00 1.22 1.08 0.15 0.13 117.51 122.20 2x9r h ILE 90 Ca 0.60 -2.20 -0.06 0.00 -0.39 0.00 0.00 64.86 62.80 2x9r h ILE 90 Cb 1.00 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.90 2x9r h ILE 90 CO -0.42 0.65 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.30 2x9r h ARG 91 N 0.18 0.00 0.00 2.37 2.43 -0.99 -1.79 114.38 116.59 2x9r h ARG 91 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2x9r h ARG 91 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2x9r h ARG 91 CO 0.11 0.30 -0.68 -2.13 -1.51 0.00 0.00 179.97 176.07 2x9r n ARG 92 N -3.56 0.18 0.03 0.20 0.63 -0.31 -3.75 116.66 110.09 2x9r n ARG 92 Ca -0.00 0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.88 2x9r n ARG 92 Cb 0.44 -1.59 -0.13 0.00 0.45 0.00 0.00 32.46 31.63 2x9r n ARG 92 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2x9r h GLN 93 N 0.00 0.02 0.00 -0.14 4.15 -0.19 -3.28 115.11 115.67 2x9r h GLN 93 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2x9r h GLN 93 Cb 0.65 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2x9r h GLN 93 CO 0.00 0.85 0.00 0.09 -1.93 0.00 0.00 178.83 177.84 2x9r n ASN 94 N -3.26 0.05 -0.15 -0.69 3.02 -0.75 -3.23 115.26 110.25 2x9r n ASN 94 Ca -0.07 0.52 -0.09 0.00 -0.03 0.00 0.00 54.58 54.91 2x9r n ASN 94 Cb 0.98 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2x9r n ASN 94 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2x9r h TYR 95 N 0.00 0.66 -0.01 3.10 0.05 -1.75 -1.94 116.97 117.07 2x9r h TYR 95 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2x9r h TYR 95 Cb 0.17 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 2x9r h TYR 95 CO 0.00 0.57 0.37 0.93 -1.05 0.00 0.00 178.16 178.98 2x9r h GLU 96 N 0.56 0.00 -0.89 4.88 5.08 -1.81 0.22 114.58 122.62 2x9r h GLU 96 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 2x9r h GLU 96 Cb 0.18 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.27 2x9r h GLU 96 CO -0.01 0.00 0.34 0.43 -1.00 0.00 0.00 179.01 178.77 2x9r n SER 97 N -2.89 3.95 0.00 1.42 7.64 -0.73 -4.33 113.62 118.69 2x9r n SER 97 Ca -0.02 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2x9r n SER 97 Cb 0.42 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2x9r n SER 97 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2x9r n LEU 98 N -0.35 0.00 0.00 -3.43 4.77 0.79 -5.11 117.00 113.67 2x9r n LEU 98 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2x9r n LEU 98 Cb 1.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 2x9r n LEU 98 CO 0.40 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.92 2x9r n SER 99 N -0.80 -1.35 -2.72 -1.43 3.41 -1.24 -5.03 113.62 104.45 2x9r n SER 99 Ca 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2x9r n SER 99 Cb 0.11 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2x9r n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2x9r n LYS 100 N -1.42 1.37 0.00 4.33 5.02 -1.26 -5.14 118.16 121.06 2x9r n LYS 100 Ca 0.00 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.66 2x9r n LYS 100 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2x9r n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75