#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r s PHE 6 N 0.00 2.18 0.00 2.11 0.40 -1.26 -5.00 117.98 116.41 2x9r s PHE 6 Ca 0.00 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2x9r s PHE 6 Cb 0.00 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.87 2x9r s PHE 6 CO 0.00 -1.11 0.66 0.39 0.70 0.00 0.00 175.22 175.86 2x9r n GLU 7 N -2.39 0.00 -1.41 0.44 4.71 0.17 -4.84 120.64 117.31 2x9r n GLU 7 Ca 0.12 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 2x9r n GLU 7 Cb 0.60 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.87 2x9r n GLU 7 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2x9r n GLU 8 N -1.40 0.00 -3.72 3.49 2.13 -1.25 -4.92 120.64 114.97 2x9r n GLU 8 Ca 0.00 0.47 -0.37 0.00 0.66 0.00 0.00 57.16 57.92 2x9r n GLU 8 Cb 0.00 -1.06 -0.11 0.00 0.27 0.00 0.00 31.44 30.54 2x9r n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2x9r s LYS 9 N -0.25 3.83 -0.89 5.31 2.20 0.14 -4.96 119.74 125.13 2x9r s LYS 9 Ca 0.00 -0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 55.02 2x9r s LYS 9 Cb 0.00 -3.45 0.10 0.00 -1.51 0.00 0.00 37.83 32.97 2x9r s LYS 9 CO 0.00 -0.11 1.17 1.41 -0.36 0.00 0.00 175.35 177.46 2x9r s MET 10 N 1.47 3.49 0.00 4.03 -2.45 -1.26 -1.21 119.30 123.38 2x9r s MET 10 Ca 0.06 -1.41 0.00 0.00 -1.25 0.00 0.00 55.69 53.09 2x9r s MET 10 Cb -0.15 -4.86 0.00 0.00 1.25 0.00 0.00 34.83 31.08 2x9r s MET 10 CO 0.06 -1.88 0.00 -0.89 1.05 0.00 0.00 175.02 173.36 2x9r n ILE 11 N 5.89 0.00 -4.18 10.11 5.41 -0.96 -4.94 119.36 130.69 2x9r n ILE 11 Ca 0.20 0.07 -0.27 0.00 1.00 0.00 0.00 62.75 63.75 2x9r n ILE 11 Cb 0.49 -1.04 -0.08 0.00 -0.71 0.00 0.00 39.64 38.30 2x9r n ILE 11 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2x9r s LEU 12 N 0.00 3.39 -0.01 1.39 -0.00 -1.24 -4.99 118.68 117.21 2x9r s LEU 12 Ca 0.00 -0.33 0.04 0.00 -0.00 0.00 0.00 54.13 53.84 2x9r s LEU 12 Cb 0.00 -2.05 -0.01 0.00 -0.00 0.00 0.00 46.19 44.13 2x9r s LEU 12 CO 0.00 0.11 -0.12 -0.63 -0.00 0.00 0.00 176.35 175.70 2x9r s ILE 13 N -1.63 0.99 -0.07 1.48 1.01 -1.26 -2.18 121.20 119.53 2x9r s ILE 13 Ca 0.27 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2x9r s ILE 13 Cb -0.10 -0.83 0.04 0.00 0.01 0.00 0.00 42.46 41.58 2x9r s ILE 13 CO 0.19 0.28 0.14 0.00 0.00 0.00 0.00 174.94 175.55 2x9r s ARG 14 N -0.22 0.06 -1.11 2.79 1.70 -0.69 -4.98 118.95 116.50 2x9r s ARG 14 Ca 0.03 0.40 -0.18 0.00 -0.47 0.00 0.00 55.73 55.51 2x9r s ARG 14 Cb -0.06 -0.21 0.10 0.00 -0.57 0.00 0.00 34.95 34.21 2x9r s ARG 14 CO -0.00 -0.20 1.44 0.50 -1.08 0.00 0.00 175.30 175.96 2x9r s ARG 15 N 1.45 3.82 0.02 3.89 3.52 -1.26 -1.69 118.95 128.69 2x9r s ARG 15 Ca -0.06 -1.86 -0.00 0.00 -0.13 0.00 0.00 55.73 53.68 2x9r s ARG 15 Cb -0.12 -5.23 0.00 0.00 -1.56 0.00 0.00 34.95 28.05 2x9r s ARG 15 CO -0.06 -2.01 0.02 0.25 -0.81 0.00 0.00 175.30 172.70 2x9r n THR 16 N 5.87 0.00 -3.61 4.11 -2.24 -0.58 -4.88 114.28 112.95 2x9r n THR 16 Ca 0.36 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 62.10 2x9r n THR 16 Cb 0.47 -1.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.01 2x9r n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x9r s ALA 17 N -3.68 -2.15 0.07 6.98 0.00 -1.26 -3.01 121.76 118.71 2x9r s ALA 17 Ca 0.01 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.42 2x9r s ALA 17 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2x9r s ALA 17 CO 0.01 -0.70 -0.06 -0.98 0.00 0.00 0.00 175.76 174.03 2x9r s ARG 18 N -2.34 0.69 0.70 0.00 1.70 -0.83 -4.99 118.95 113.87 2x9r s ARG 18 Ca 0.11 -1.13 -0.03 0.00 -0.47 0.00 0.00 55.73 54.21 2x9r s ARG 18 Cb 0.01 -0.13 0.10 0.00 -0.57 0.00 0.00 34.95 34.36 2x9r s ARG 18 CO -0.04 -0.02 0.98 -1.64 -1.08 0.00 0.00 175.30 173.50 2x9r s MET 19 N -3.15 1.88 0.00 3.89 -1.94 -1.26 -1.86 119.30 116.86 2x9r s MET 19 Ca 0.04 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 2x9r s MET 19 Cb 0.01 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.56 2x9r s MET 19 CO -0.04 -1.33 0.00 0.94 -0.01 0.00 0.00 175.02 174.58 2x9r n GLN 20 N -2.83 0.00 -0.71 2.03 0.00 -1.22 -4.79 117.38 109.86 2x9r n GLN 20 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.87 2x9r n GLN 20 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.87 2x9r n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2x9r n ALA 21 N -0.53 -4.21 -3.40 1.69 0.00 -1.26 -3.06 120.51 109.74 2x9r n ALA 21 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 2x9r n ALA 21 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2x9r n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9r n GLY 22 N 2.26 -0.49 0.00 0.00 0.00 -1.26 -4.78 105.19 100.92 2x9r n GLY 22 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2x9r n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9r n GLY 23 N -1.25 1.37 3.63 -0.02 0.00 -1.17 -5.05 105.19 102.70 2x9r n GLY 23 Ca -0.02 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 2x9r n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x9r s ARG 24 N -1.31 3.55 -0.27 1.61 1.70 -1.26 -3.39 118.95 119.59 2x9r s ARG 24 Ca 0.00 -0.39 -0.06 0.00 -0.47 0.00 0.00 55.73 54.81 2x9r s ARG 24 Cb 0.00 -3.00 -0.00 0.00 -0.57 0.00 0.00 34.95 31.38 2x9r s ARG 24 CO 0.00 0.44 0.04 0.50 -1.08 0.00 0.00 175.30 175.20 2x9r s ARG 25 N -0.13 3.24 0.00 3.89 3.52 -0.78 -4.99 118.95 123.70 2x9r s ARG 25 Ca 0.05 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 2x9r s ARG 25 Cb -0.12 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2x9r s ARG 25 CO 0.02 -0.34 0.00 1.19 -0.81 0.00 0.00 175.30 175.36 2x9r n PHE 26 N 4.85 -0.03 0.00 5.12 3.01 -1.26 -1.97 117.46 127.18 2x9r n PHE 26 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2x9r n PHE 26 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2x9r n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2x9r n ARG 27 N 0.00 0.00 -4.40 -1.08 0.63 -1.16 -4.72 116.66 105.92 2x9r n ARG 27 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 2x9r n ARG 27 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 2x9r n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2x9r s PHE 28 N -2.00 2.34 -0.03 -0.14 0.40 -0.59 -1.53 117.98 116.44 2x9r s PHE 28 Ca 0.00 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2x9r s PHE 28 Cb 0.00 -1.19 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 2x9r s PHE 28 CO 0.00 0.46 -0.14 0.20 0.70 0.00 0.00 175.22 176.44 2x9r s GLY 29 N -2.50 0.72 -0.06 4.36 0.00 -0.68 -1.73 107.32 107.42 2x9r s GLY 29 Ca 0.19 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.39 2x9r s GLY 29 CO 0.09 -0.33 -0.14 0.00 0.00 0.00 0.00 173.10 172.72 2x9r s ALA 30 N -0.06 1.36 -0.24 3.20 0.00 0.76 -1.70 121.76 125.08 2x9r s ALA 30 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 2x9r s ALA 30 Cb -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2x9r s ALA 30 CO 0.01 0.15 -0.07 -1.17 0.00 0.00 0.00 175.76 174.68 2x9r s LEU 31 N 0.55 3.09 0.05 0.00 1.98 -0.93 -0.32 118.68 123.10 2x9r s LEU 31 Ca -0.13 -0.80 0.07 0.00 -2.89 0.00 0.00 54.13 50.38 2x9r s LEU 31 Cb -0.15 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.01 2x9r s LEU 31 CO 0.04 -0.11 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.50 2x9r s VAL 32 N 1.34 1.61 0.25 1.68 1.01 0.11 -2.27 120.40 124.13 2x9r s VAL 32 Ca 0.01 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 60.86 2x9r s VAL 32 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2x9r s VAL 32 CO -0.05 0.15 0.08 -0.69 0.00 0.00 0.00 175.10 174.59 2x9r s VAL 33 N -0.85 3.89 -0.28 2.92 1.01 -0.35 -1.09 120.40 125.66 2x9r s VAL 33 Ca 0.07 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.19 2x9r s VAL 33 Cb -0.09 -3.08 0.10 0.00 0.00 0.00 0.00 36.38 33.31 2x9r s VAL 33 CO 0.02 -0.34 0.81 0.54 0.00 0.00 0.00 175.10 176.13 2x9r s VAL 34 N -2.19 0.00 0.37 2.92 0.11 0.00 0.25 120.40 121.87 2x9r s VAL 34 Ca 0.32 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 2x9r s VAL 34 Cb -0.07 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2x9r s VAL 34 CO 0.22 0.00 0.77 -0.83 -3.33 0.00 0.00 175.10 171.93 2x9r s GLY 35 N 0.99 0.37 0.00 6.54 0.00 -1.26 0.16 107.32 114.12 2x9r s GLY 35 Ca -0.05 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.01 2x9r s GLY 35 CO -0.11 -0.32 0.49 2.09 0.00 0.00 0.00 173.10 175.26 2x9r n ASP 36 N -1.30 0.90 -0.49 1.64 5.68 -1.17 0.42 116.55 122.23 2x9r n ASP 36 Ca -0.07 -0.95 -0.05 0.00 -0.50 0.00 0.00 54.79 53.22 2x9r n ASP 36 Cb 0.60 0.58 -0.01 0.00 -1.14 0.00 0.00 41.12 41.15 2x9r n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2x9r n ARG 37 N -0.49 -0.36 -3.11 0.11 1.74 -1.03 -4.95 116.66 108.57 2x9r n ARG 37 Ca 0.03 0.36 -0.18 0.00 -0.77 0.00 0.00 57.85 57.29 2x9r n ARG 37 Cb 0.15 -4.11 -0.02 0.00 -1.02 0.00 0.00 32.46 27.46 2x9r n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2x9r n GLN 38 N -1.88 0.89 -0.10 5.56 1.13 -1.26 -4.41 117.38 117.32 2x9r n GLN 38 Ca -0.05 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 51.94 2x9r n GLN 38 Cb 0.43 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2x9r n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x9r n GLY 39 N 0.69 1.20 3.53 1.08 0.00 -1.17 -4.92 105.19 105.59 2x9r n GLY 39 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2x9r n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9r s ARG 40 N -0.08 3.79 -0.00 1.61 0.52 -1.26 0.30 118.95 123.84 2x9r s ARG 40 Ca 0.00 -0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2x9r s ARG 40 Cb 0.00 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2x9r s ARG 40 CO 0.00 -0.03 0.01 0.08 0.02 0.00 0.00 175.30 175.38 2x9r s VAL 41 N 1.20 -0.00 -0.01 3.52 1.01 -0.65 -3.02 120.40 122.44 2x9r s VAL 41 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2x9r s VAL 41 Cb -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 2x9r s VAL 41 CO 0.04 0.00 -0.07 -0.83 0.00 0.00 0.00 175.10 174.24 2x9r s GLY 42 N 0.03 0.39 -0.14 4.51 0.00 0.12 0.41 107.32 112.64 2x9r s GLY 42 Ca -0.00 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.43 2x9r s GLY 42 CO -0.00 -0.17 -0.15 -2.27 0.00 0.00 0.00 173.10 170.50 2x9r s LEU 43 N -0.02 1.73 0.00 0.66 2.96 -1.10 -0.82 118.68 122.10 2x9r s LEU 43 Ca 0.01 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2x9r s LEU 43 Cb -0.05 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 2x9r s LEU 43 CO -0.00 -0.03 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.12 2x9r s GLY 44 N 1.35 0.24 -0.03 7.98 0.00 -0.25 -4.61 107.32 112.01 2x9r s GLY 44 Ca 0.02 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.52 2x9r s GLY 44 CO -0.09 -0.27 -0.19 -0.12 0.00 0.00 0.00 173.10 172.44 2x9r s PHE 45 N -0.34 1.78 0.02 1.90 5.36 -1.26 -0.71 117.98 124.72 2x9r s PHE 45 Ca -0.01 -0.42 -0.16 0.00 -0.96 0.00 0.00 56.93 55.38 2x9r s PHE 45 Cb -0.03 -1.17 0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2x9r s PHE 45 CO -0.00 -0.10 0.35 0.20 -1.46 0.00 0.00 175.22 174.21 2x9r s GLY 46 N -0.23 -0.19 0.16 13.12 0.00 0.57 -4.81 107.32 115.94 2x9r s GLY 46 Ca 0.02 0.25 0.10 0.00 0.00 0.00 0.00 44.72 45.09 2x9r s GLY 46 CO 0.01 0.02 -0.22 0.54 0.00 0.00 0.00 173.10 173.46 2x9r s LYS 47 N -2.00 1.35 0.07 2.90 3.01 -1.26 -0.17 119.74 123.63 2x9r s LYS 47 Ca -0.09 -1.40 -0.27 0.00 -1.01 0.00 0.00 55.97 53.21 2x9r s LYS 47 Cb -0.02 -1.58 0.08 0.00 -1.01 0.00 0.00 37.83 35.30 2x9r s LYS 47 CO 0.00 0.34 0.85 0.00 0.51 0.00 0.00 175.35 177.05 2x9r s ALA 48 N -1.66 -1.72 -0.69 5.17 0.00 -0.71 -4.79 121.76 117.35 2x9r s ALA 48 Ca 0.16 0.67 0.15 0.00 0.00 0.00 0.00 51.96 52.93 2x9r s ALA 48 Cb -0.08 0.57 0.68 0.00 0.00 0.00 0.00 23.12 24.29 2x9r s ALA 48 CO 0.07 -0.80 1.45 -2.30 0.00 0.00 0.00 175.76 174.19 2x9r n PRO 49 N -0.33 0.08 -4.14 0.00 -0.02 -1.26 -1.55 135.00 127.79 2x9r n PRO 49 Ca -0.09 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2x9r n PRO 49 Cb 0.62 -1.70 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 2x9r n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2x9r s GLU 50 N -3.20 0.44 0.09 -0.52 2.56 -1.26 -4.63 118.70 112.17 2x9r s GLU 50 Ca 0.02 -0.30 -0.23 0.00 0.00 0.00 0.00 54.97 54.47 2x9r s GLU 50 Cb 0.06 -0.38 -0.08 0.00 2.00 0.00 0.00 34.13 35.73 2x9r s GLU 50 CO 0.21 0.10 1.38 0.28 -0.56 0.00 0.00 175.26 176.67 2x9r h VAL 51 N 4.91 0.00 -0.37 3.70 2.07 -1.93 -0.14 116.25 124.49 2x9r h VAL 51 Ca -0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.30 2x9r h VAL 51 Cb 1.19 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 2x9r h VAL 51 CO 0.48 0.00 -0.38 -0.65 0.02 0.00 0.00 177.57 177.04 2x9r h PRO 52 N -0.33 -0.30 -0.71 1.57 0.11 -1.98 0.24 132.00 130.59 2x9r h PRO 52 Ca 0.04 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.32 2x9r h PRO 52 Cb 0.44 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 2x9r h PRO 52 CO -0.36 -0.20 0.48 -0.07 -0.21 0.00 0.00 178.00 177.64 2x9r h LEU 53 N -0.31 0.29 -0.05 2.35 3.38 -1.91 0.27 115.31 119.32 2x9r h LEU 53 Ca 0.15 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2x9r h LEU 53 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2x9r h LEU 53 CO -0.54 0.15 -0.15 0.00 0.09 0.00 0.00 178.44 177.99 2x9r h ALA 54 N 1.66 0.09 -0.83 1.53 0.00 0.12 -2.77 119.26 119.07 2x9r h ALA 54 Ca 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x9r h ALA 54 Cb 0.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2x9r h ALA 54 CO -0.09 0.01 0.43 0.28 0.00 0.00 0.00 179.25 179.88 2x9r h VAL 55 N -0.33 1.25 0.10 0.00 2.07 0.39 -1.86 116.25 117.87 2x9r h VAL 55 Ca -0.00 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2x9r h VAL 55 Cb 0.76 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2x9r h VAL 55 CO 0.03 0.28 -0.39 -0.61 0.02 0.00 0.00 177.57 176.91 2x9r h GLN 56 N 1.17 -0.54 -0.98 1.57 -0.00 -0.48 -0.80 115.11 115.04 2x9r h GLN 56 Ca 0.29 0.04 0.16 0.00 -0.00 0.00 0.00 58.65 59.14 2x9r h GLN 56 Cb 0.06 0.12 -0.09 0.00 0.00 0.00 0.00 27.48 27.57 2x9r h GLN 56 CO -0.04 -0.36 0.62 0.87 0.00 0.00 0.00 178.83 179.91 2x9r h LYS 57 N -0.56 0.78 -0.54 1.69 1.57 -1.32 -0.70 116.57 117.49 2x9r h LYS 57 Ca -0.01 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2x9r h LYS 57 Cb 0.56 -0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.59 2x9r h LYS 57 CO -0.21 0.52 -0.42 0.00 -0.57 0.00 0.00 179.45 178.76 2x9r h ALA 58 N 1.60 -0.32 -0.27 3.86 0.00 -0.30 0.75 119.26 124.58 2x9r h ALA 58 Ca 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 2x9r h ALA 58 Cb 0.77 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2x9r h ALA 58 CO -0.31 -0.82 0.01 0.78 0.00 0.00 0.00 179.25 178.91 2x9r h GLY 59 N -0.24 0.50 -0.23 0.00 0.00 -0.68 0.31 103.07 102.73 2x9r h GLY 59 Ca 0.17 -0.36 0.32 0.00 0.00 0.00 0.00 47.33 47.47 2x9r h GLY 59 CO -0.66 0.33 0.80 -1.82 0.00 0.00 0.00 176.54 175.19 2x9r h TYR 60 N 0.25 0.01 0.06 5.60 3.20 0.43 -0.56 116.97 125.96 2x9r h TYR 60 Ca 0.08 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.59 2x9r h TYR 60 Cb 0.40 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2x9r h TYR 60 CO 0.03 0.00 -2.01 0.66 -1.64 0.00 0.00 178.16 175.20 2x9r n TYR 61 N -4.21 0.80 -0.06 -3.82 4.01 0.24 -4.09 117.16 110.03 2x9r n TYR 61 Ca 0.24 0.22 -0.13 0.00 -0.16 0.00 0.00 57.90 58.06 2x9r n TYR 61 Cb 1.17 -1.10 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 2x9r n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x9r h ALA 62 N -0.18 -0.73 -0.93 -0.72 0.00 0.12 -1.47 119.26 115.33 2x9r h ALA 62 Ca -0.47 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.48 2x9r h ALA 62 Cb 1.81 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 20.51 2x9r h ALA 62 CO -0.07 -1.01 0.61 0.00 0.00 0.00 0.00 179.25 178.77 2x9r h ARG 63 N -0.48 1.04 -0.01 0.00 3.08 -1.59 0.15 114.38 116.57 2x9r h ARG 63 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2x9r h ARG 63 Cb 0.64 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2x9r h ARG 63 CO -0.49 0.69 0.00 -2.13 -1.07 0.00 0.00 179.97 176.97 2x9r n ARG 64 N -4.49 0.62 -3.30 0.04 0.63 -0.59 -4.26 116.66 105.31 2x9r n ARG 64 Ca 0.14 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.98 2x9r n ARG 64 Cb 0.19 -1.01 -0.06 0.00 0.45 0.00 0.00 32.46 32.04 2x9r n ARG 64 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2x9r s ASN 65 N -1.36 0.41 0.37 6.15 2.47 0.52 -5.06 114.94 118.43 2x9r s ASN 65 Ca 0.00 -0.41 0.06 0.00 0.42 0.00 0.00 52.86 52.92 2x9r s ASN 65 Cb 0.00 1.09 -0.03 0.00 -1.45 0.00 0.00 41.25 40.87 2x9r s ASN 65 CO 0.00 -0.35 0.21 -0.04 -3.72 0.00 0.00 177.10 173.19 2x9r s MET 66 N 2.52 1.85 0.03 0.43 -1.94 -1.26 -2.72 119.30 118.21 2x9r s MET 66 Ca 0.10 -2.11 -0.17 0.00 -1.71 0.00 0.00 55.69 51.81 2x9r s MET 66 Cb -0.12 -0.12 0.03 0.00 2.01 0.00 0.00 34.83 36.62 2x9r s MET 66 CO -0.30 -0.58 0.37 0.54 -0.01 0.00 0.00 175.02 175.04 2x9r s VAL 67 N -3.33 0.06 -0.40 -6.03 0.11 0.16 -4.95 120.40 106.03 2x9r s VAL 67 Ca 0.32 -0.51 -0.23 0.00 -2.93 0.00 0.00 61.98 58.63 2x9r s VAL 67 Cb 0.02 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2x9r s VAL 67 CO 0.21 -0.28 0.78 -1.83 -3.33 0.00 0.00 175.10 170.66 2x9r s GLU 68 N -2.18 3.63 -0.84 1.54 4.04 -1.25 -1.64 118.70 121.99 2x9r s GLU 68 Ca -0.07 0.16 -0.19 0.00 0.04 0.00 0.00 54.97 54.91 2x9r s GLU 68 Cb -0.02 -3.86 0.13 0.00 0.02 0.00 0.00 34.13 30.41 2x9r s GLU 68 CO -0.01 -0.95 1.01 0.08 -1.84 0.00 0.00 175.26 173.56 2x9r s VAL 69 N 3.17 4.80 -0.43 1.83 1.01 0.89 -4.81 120.40 126.86 2x9r s VAL 69 Ca 0.31 -1.47 -0.28 0.00 0.00 0.00 0.00 61.98 60.54 2x9r s VAL 69 Cb -0.13 -4.70 -0.29 0.00 0.00 0.00 0.00 36.38 31.27 2x9r s VAL 69 CO 0.19 -1.40 1.77 -0.81 0.00 0.00 0.00 175.10 174.86 2x9r n PRO 70 N 6.35 0.46 -0.28 2.72 -0.04 -1.26 -4.01 135.00 138.94 2x9r n PRO 70 Ca 0.15 -1.41 -0.29 0.00 -0.04 0.00 0.00 63.50 61.91 2x9r n PRO 70 Cb 0.48 -2.92 0.28 0.00 -0.04 0.00 0.00 33.50 31.30 2x9r n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x9r n LEU 71 N 10.84 -0.56 -3.15 1.53 4.77 -1.26 -4.30 117.00 124.87 2x9r n LEU 71 Ca 0.46 -0.76 0.06 0.00 -0.03 0.00 0.00 56.01 55.74 2x9r n LEU 71 Cb 0.43 -1.01 -0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2x9r n LEU 71 CO 1.03 -4.39 0.66 -1.10 -1.33 0.00 0.00 177.39 172.26 2x9r s GLN 72 N -4.86 0.01 0.00 3.23 -0.21 -0.60 -4.86 119.66 112.38 2x9r s GLN 72 Ca 0.65 0.01 0.00 0.00 0.02 0.00 0.00 55.36 56.04 2x9r s GLN 72 Cb -0.13 0.00 0.00 0.00 1.00 0.00 0.00 33.01 33.88 2x9r s GLN 72 CO 0.56 -0.01 0.00 0.09 -2.12 0.00 0.00 175.29 173.80 2x9r n ASN 73 N 5.02 -1.62 0.00 5.90 5.03 -1.26 -2.29 115.26 126.03 2x9r n ASN 73 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2x9r n ASN 73 Cb 0.59 -1.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.27 2x9r n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x9r n GLY 74 N -1.88 1.61 3.41 7.41 0.00 -1.26 -4.91 105.19 109.57 2x9r n GLY 74 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2x9r n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x9r s THR 75 N -2.00 0.02 0.46 2.61 -1.32 -0.97 -0.12 115.64 114.32 2x9r s THR 75 Ca 0.00 -1.55 -0.22 0.00 -1.21 0.00 0.00 61.69 58.71 2x9r s THR 75 Cb 0.00 -2.17 -0.08 0.00 -1.51 0.00 0.00 72.50 68.74 2x9r s THR 75 CO 0.00 -0.09 1.07 -0.51 -2.21 0.00 0.00 174.62 172.88 2x9r s ILE 76 N -4.04 3.58 0.38 5.08 2.07 -1.26 -1.55 121.20 125.46 2x9r s ILE 76 Ca 0.25 1.10 0.23 0.00 -1.41 0.00 0.00 60.65 60.82 2x9r s ILE 76 Cb 0.03 -3.51 0.24 0.00 0.13 0.00 0.00 42.46 39.35 2x9r s ILE 76 CO 0.07 -0.10 2.00 1.55 -1.91 0.00 0.00 174.94 176.54 2x9r h PRO 77 N 1.94 0.00 0.00 3.50 0.13 -1.90 -3.43 132.00 132.24 2x9r h PRO 77 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2x9r h PRO 77 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2x9r h PRO 77 CO 0.60 0.18 0.05 -2.39 -0.23 0.00 0.00 178.00 176.21 2x9r n HIS 78 N -3.77 -0.92 -4.14 1.56 1.44 -1.26 -5.01 115.22 103.11 2x9r n HIS 78 Ca -0.02 -0.19 -0.35 0.00 -2.01 0.00 0.00 57.72 55.15 2x9r n HIS 78 Cb 0.29 0.09 -0.08 0.00 0.12 0.00 0.00 29.99 30.41 2x9r n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x9r s GLU 79 N -2.01 3.16 0.01 -1.40 8.01 -1.26 -4.27 118.70 120.95 2x9r s GLU 79 Ca 0.02 -0.32 -0.06 0.00 0.01 0.00 0.00 54.97 54.62 2x9r s GLU 79 Cb -0.00 -2.95 -0.00 0.00 -4.31 0.00 0.00 34.13 26.86 2x9r s GLU 79 CO 0.01 0.72 0.11 0.96 0.01 0.00 0.00 175.26 177.07 2x9r s ILE 80 N -1.00 0.09 -0.12 -1.63 -4.36 -0.84 -4.98 121.20 108.36 2x9r s ILE 80 Ca 0.16 -0.77 0.03 0.00 -0.26 0.00 0.00 60.65 59.80 2x9r s ILE 80 Cb -0.12 -0.47 0.01 0.00 1.25 0.00 0.00 42.46 43.13 2x9r s ILE 80 CO 0.05 -0.42 -0.21 -1.61 0.24 0.00 0.00 174.94 172.99 2x9r s GLU 81 N -1.56 2.87 0.02 0.37 2.02 -1.26 -1.51 118.70 119.65 2x9r s GLU 81 Ca -0.14 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.08 2x9r s GLU 81 Cb -0.07 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 2x9r s GLU 81 CO 0.00 0.03 -0.09 0.08 0.02 0.00 0.00 175.26 175.31 2x9r s VAL 82 N 0.70 0.69 -0.24 2.63 1.01 -1.00 -5.00 120.40 119.19 2x9r s VAL 82 Ca -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2x9r s VAL 82 Cb -0.16 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.63 2x9r s VAL 82 CO 0.01 -0.06 -0.08 -1.61 0.00 0.00 0.00 175.10 173.37 2x9r s GLU 83 N -0.86 1.86 -0.84 2.72 2.02 -1.26 -1.78 118.70 120.56 2x9r s GLU 83 Ca -0.02 -1.10 -0.08 0.00 0.02 0.00 0.00 54.97 53.79 2x9r s GLU 83 Cb -0.06 -2.68 0.22 0.00 0.10 0.00 0.00 34.13 31.70 2x9r s GLU 83 CO 0.00 -0.58 0.75 0.12 0.02 0.00 0.00 175.26 175.57 2x9r s PHE 84 N 1.29 3.78 0.00 1.61 5.36 -0.86 -4.96 117.98 124.21 2x9r s PHE 84 Ca -0.07 -2.48 0.00 0.00 -0.96 0.00 0.00 56.93 53.42 2x9r s PHE 84 Cb -0.19 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2x9r s PHE 84 CO -0.06 -0.90 0.00 0.41 -1.46 0.00 0.00 175.22 173.21 2x9r n GLY 85 N 3.34 1.17 0.29 13.12 0.00 -1.26 -3.52 105.19 118.33 2x9r n GLY 85 Ca 0.15 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.43 2x9r n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9r n ALA 86 N 6.08 2.86 -2.88 4.61 0.00 -1.26 -4.90 120.51 125.02 2x9r n ALA 86 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 2x9r n ALA 86 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 2x9r n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2x9r s SER 87 N -2.32 6.00 -0.07 0.00 0.01 -1.23 0.67 113.70 116.75 2x9r s SER 87 Ca 0.30 0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.55 2x9r s SER 87 Cb 0.20 -1.72 0.02 0.00 0.21 0.00 0.00 66.02 64.73 2x9r s SER 87 CO 0.45 0.08 0.20 -0.75 0.41 0.00 0.00 173.24 173.63 2x9r s LYS 88 N -3.07 0.23 0.04 12.44 2.20 -1.12 -2.03 119.74 128.43 2x9r s LYS 88 Ca 0.33 0.28 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 2x9r s LYS 88 Cb -0.11 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2x9r s LYS 88 CO 0.26 -0.03 -0.08 -1.50 -0.36 0.00 0.00 175.35 173.65 2x9r s ILE 89 N 0.11 0.55 -0.02 5.43 2.07 -0.73 0.13 121.20 128.74 2x9r s ILE 89 Ca -0.00 -0.99 0.07 0.00 -1.41 0.00 0.00 60.65 58.33 2x9r s ILE 89 Cb -0.01 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.96 2x9r s ILE 89 CO 0.00 -0.31 -0.24 -0.69 -1.91 0.00 0.00 174.94 171.79 2x9r s VAL 90 N -1.22 1.91 -0.11 4.00 1.01 -0.47 -2.38 120.40 123.15 2x9r s VAL 90 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2x9r s VAL 90 Cb -0.09 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.71 2x9r s VAL 90 CO 0.00 0.54 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 2x9r s LEU 91 N -0.52 2.00 -0.08 3.92 2.01 -0.57 -2.58 118.68 122.86 2x9r s LEU 91 Ca 0.08 -0.52 0.02 0.00 0.01 0.00 0.00 54.13 53.71 2x9r s LEU 91 Cb -0.10 -1.31 0.01 0.00 0.01 0.00 0.00 46.19 44.81 2x9r s LEU 91 CO -0.00 0.11 -0.12 -0.75 1.01 0.00 0.00 176.35 176.59 2x9r s LYS 92 N 0.57 1.82 0.35 1.70 2.20 0.17 -2.00 119.74 124.54 2x9r s LYS 92 Ca -0.14 -0.43 -0.28 0.00 -0.36 0.00 0.00 55.97 54.75 2x9r s LYS 92 Cb -0.17 -1.56 -0.10 0.00 -1.51 0.00 0.00 37.83 34.49 2x9r s LYS 92 CO 0.05 -0.03 1.36 -1.25 -0.36 0.00 0.00 175.35 175.11 2x9r s PRO 93 N 0.88 4.26 0.01 4.03 0.04 -1.26 -0.61 135.00 142.35 2x9r s PRO 93 Ca -0.10 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2x9r s PRO 93 Cb -0.15 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2x9r s PRO 93 CO 0.01 -0.31 -0.10 0.00 0.04 0.00 0.00 177.00 176.64 2x9r s ALA 94 N -1.14 0.85 0.63 8.56 0.00 -1.02 -4.75 121.76 124.89 2x9r s ALA 94 Ca 0.51 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.78 2x9r s ALA 94 Cb -0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2x9r s ALA 94 CO 0.56 0.18 1.11 0.00 0.00 0.00 0.00 175.76 177.61 2x9r s ALA 95 N -0.46 2.54 0.45 0.00 0.00 -1.26 -4.59 121.76 118.44 2x9r s ALA 95 Ca 0.02 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 2x9r s ALA 95 Cb -0.05 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2x9r s ALA 95 CO 0.00 -1.13 1.09 -2.30 0.00 0.00 0.00 175.76 173.41 2x9r n PRO 96 N -2.17 1.46 0.00 0.00 -0.02 -1.26 -3.30 135.00 129.70 2x9r n PRO 96 Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2x9r n PRO 96 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2x9r n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9r n GLY 97 N 1.08 1.09 0.08 -1.23 0.00 -1.26 -4.97 105.19 99.99 2x9r n GLY 97 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 2x9r n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x9r h THR 98 N 0.00 0.00 0.00 2.61 2.02 -1.83 -3.51 112.91 112.20 2x9r h THR 98 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2x9r h THR 98 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2x9r h THR 98 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2x9r n GLY 99 N 1.48 -0.97 2.97 2.16 0.00 -1.11 -4.94 105.19 104.79 2x9r n GLY 99 Ca -0.01 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 2x9r n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x9r s VAL 100 N 0.00 1.24 -0.50 1.61 -7.23 -1.26 -1.56 120.40 112.71 2x9r s VAL 100 Ca 0.00 -0.44 -0.13 0.00 -1.81 0.00 0.00 61.98 59.60 2x9r s VAL 100 Cb 0.00 -1.20 0.12 0.00 0.56 0.00 0.00 36.38 35.85 2x9r s VAL 100 CO 0.00 0.40 0.41 0.27 -0.31 0.00 0.00 175.10 175.87 2x9r s ILE 101 N 1.45 4.76 0.27 -0.62 -0.00 -1.10 -5.01 121.20 120.96 2x9r s ILE 101 Ca 0.02 -1.55 -0.16 0.00 -0.00 0.00 0.00 60.65 58.95 2x9r s ILE 101 Cb -0.13 -4.05 0.01 0.00 -0.00 0.00 0.00 42.46 38.29 2x9r s ILE 101 CO -0.07 -0.78 0.59 0.00 -0.00 0.00 0.00 174.94 174.69 2x9r s ALA 102 N 1.50 -0.64 1.00 2.27 0.00 -1.26 -2.52 121.76 122.11 2x9r s ALA 102 Ca 0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 2x9r s ALA 102 Cb -0.27 0.96 0.22 0.00 0.00 0.00 0.00 23.12 24.03 2x9r s ALA 102 CO 0.02 -0.94 1.34 0.20 0.00 0.00 0.00 175.76 176.38 2x9r s GLY 103 N -2.99 1.81 0.00 0.00 0.00 -1.26 -4.70 107.32 100.18 2x9r s GLY 103 Ca 0.18 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.61 2x9r s GLY 103 CO 0.09 -0.47 0.24 0.00 0.00 0.00 0.00 173.10 172.96 2x9r n ALA 104 N -3.89 1.66 0.02 3.20 0.00 -1.26 -1.72 120.51 118.53 2x9r n ALA 104 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2x9r n ALA 104 Cb 0.59 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 2x9r n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2x9r n VAL 105 N -0.57 0.82 0.21 0.00 0.31 -1.26 -4.43 118.33 113.41 2x9r n VAL 105 Ca 0.01 0.26 0.03 0.00 -0.01 0.00 0.00 64.34 64.63 2x9r n VAL 105 Cb 0.00 -1.46 0.13 0.00 -0.91 0.00 0.00 33.84 31.60 2x9r n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2x9r n PRO 106 N -3.22 0.01 0.00 5.55 -0.04 -1.20 -2.87 135.00 133.24 2x9r n PRO 106 Ca -0.01 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2x9r n PRO 106 Cb 0.04 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2x9r n PRO 106 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2x9r n ARG 107 N -1.47 0.00 -0.30 0.54 0.63 -0.70 -2.70 116.66 112.67 2x9r n ARG 107 Ca 0.02 0.37 0.05 0.00 -0.92 0.00 0.00 57.85 57.37 2x9r n ARG 107 Cb 0.06 -0.87 0.11 0.00 0.45 0.00 0.00 32.46 32.22 2x9r n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9r n ALA 108 N -1.78 0.19 -0.08 5.13 0.00 -1.18 0.03 120.51 122.81 2x9r n ALA 108 Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 53.44 54.25 2x9r n ALA 108 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 2x9r n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2x9r h ILE 109 N 0.00 1.12 0.00 0.00 2.04 -1.69 -2.23 117.51 116.74 2x9r h ILE 109 Ca 0.39 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2x9r h ILE 109 Cb 0.60 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2x9r h ILE 109 CO -0.85 0.11 0.00 0.18 0.00 0.00 0.00 178.15 177.60 2x9r n LEU 110 N -4.84 0.46 -0.08 1.44 4.77 0.10 -1.89 117.00 116.97 2x9r n LEU 110 Ca -0.02 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 2x9r n LEU 110 Cb 0.07 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 2x9r n LEU 110 CO 0.35 -0.18 0.12 -0.33 -1.33 0.00 0.00 177.39 176.02 2x9r h GLU 111 N 0.00 0.00 0.00 3.23 5.08 -0.77 -1.00 114.58 121.13 2x9r h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2x9r h GLU 111 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2x9r h GLU 111 CO 0.00 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 180.16 2x9r n LEU 112 N -4.59 0.00 0.03 1.33 4.77 -0.86 -0.04 117.00 117.65 2x9r n LEU 112 Ca -0.14 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2x9r n LEU 112 Cb 0.47 -0.38 0.36 0.00 -2.33 0.00 0.00 43.42 41.54 2x9r n LEU 112 CO 0.26 -0.18 0.64 0.00 -1.33 0.00 0.00 177.39 176.78 2x9r n ALA 113 N -1.38 2.83 -1.83 -1.18 0.00 -0.79 -2.46 120.51 115.70 2x9r n ALA 113 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2x9r n ALA 113 Cb 0.15 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2x9r n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9r n GLY 114 N 1.42 0.95 3.79 0.00 0.00 0.94 -3.06 105.19 109.23 2x9r n GLY 114 Ca 0.05 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 2x9r n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9r s VAL 115 N -2.67 4.42 0.00 1.61 1.01 -0.38 -4.72 120.40 119.67 2x9r s VAL 115 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2x9r s VAL 115 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2x9r s VAL 115 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.10 175.36 2x9r n THR 116 N -0.46 0.00 -3.36 3.92 -1.04 0.83 -4.57 114.28 109.60 2x9r n THR 116 Ca -0.08 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.75 2x9r n THR 116 Cb 0.55 0.89 -0.08 0.00 -1.82 0.00 0.00 70.33 69.87 2x9r n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2x9r s ASP 117 N 0.00 1.22 -0.10 8.00 1.01 -1.04 -2.74 116.67 123.02 2x9r s ASP 117 Ca 0.00 -1.62 -0.18 0.00 0.71 0.00 0.00 52.55 51.46 2x9r s ASP 117 Cb 0.00 0.52 0.04 0.00 1.01 0.00 0.00 42.92 44.50 2x9r s ASP 117 CO 0.00 -0.26 0.44 -0.51 0.21 0.00 0.00 175.17 175.05 2x9r s ILE 118 N 1.40 0.02 -0.19 0.77 1.10 -0.60 -2.43 121.20 121.26 2x9r s ILE 118 Ca 0.17 -0.16 -0.05 0.00 -0.51 0.00 0.00 60.65 60.10 2x9r s ILE 118 Cb -0.16 -0.68 -0.03 0.00 0.15 0.00 0.00 42.46 41.75 2x9r s ILE 118 CO -0.03 -0.09 -0.00 -0.76 -2.11 0.00 0.00 174.94 171.95 2x9r s LEU 119 N -0.50 3.29 0.07 8.50 1.43 0.22 -2.69 118.68 129.00 2x9r s LEU 119 Ca -0.06 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2x9r s LEU 119 Cb -0.03 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2x9r s LEU 119 CO 0.03 0.09 -0.10 0.42 0.23 0.00 0.00 176.35 177.03 2x9r s THR 120 N 0.81 0.84 -0.11 5.49 -4.23 -1.05 0.41 115.64 117.81 2x9r s THR 120 Ca 0.00 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2x9r s THR 120 Cb -0.14 -1.09 0.05 0.00 1.34 0.00 0.00 72.50 72.66 2x9r s THR 120 CO 0.02 -0.45 0.24 -0.75 -0.54 0.00 0.00 174.62 173.13 2x9r s LYS 121 N -2.26 0.17 -0.11 3.99 2.47 -1.06 -4.66 119.74 118.28 2x9r s LYS 121 Ca -0.01 0.58 -0.22 0.00 -1.56 0.00 0.00 55.97 54.77 2x9r s LYS 121 Cb -0.06 -0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.16 2x9r s LYS 121 CO 0.00 -0.21 0.65 -1.21 0.16 0.00 0.00 175.35 174.74 2x9r s GLU 122 N 1.66 4.36 0.09 4.03 2.02 -1.26 -1.37 118.70 128.24 2x9r s GLU 122 Ca -0.05 0.75 0.00 0.00 0.02 0.00 0.00 54.97 55.69 2x9r s GLU 122 Cb -0.11 -3.48 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 2x9r s GLU 122 CO -0.08 -0.01 0.02 1.28 0.02 0.00 0.00 175.26 176.49 2x9r n LEU 123 N 4.12 0.00 0.00 1.80 4.77 0.12 -5.01 117.00 122.80 2x9r n LEU 123 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2x9r n LEU 123 Cb 0.51 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2x9r n LEU 123 CO 0.46 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2x9r n GLY 124 N 2.58 0.87 3.58 -0.72 0.00 -1.26 -2.81 105.19 107.42 2x9r n GLY 124 Ca -0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2x9r n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x9r n SER 125 N -3.47 -0.59 -0.44 1.61 2.88 0.21 -4.80 113.62 109.02 2x9r n SER 125 Ca 0.00 0.19 0.07 0.00 -1.33 0.00 0.00 58.87 57.80 2x9r n SER 125 Cb 0.00 -1.37 0.14 0.00 -0.75 0.00 0.00 64.21 62.22 2x9r n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2x9r n ARG 126 N -4.34 1.13 -1.76 -1.46 5.12 -1.26 -4.44 116.66 109.64 2x9r n ARG 126 Ca 0.08 -2.60 -0.43 0.00 -1.93 0.00 0.00 57.85 52.97 2x9r n ARG 126 Cb 0.53 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.51 2x9r n ARG 126 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2x9r s ASN 127 N -2.71 5.94 0.04 0.55 3.84 -1.26 -4.87 114.94 116.47 2x9r s ASN 127 Ca 0.31 1.99 -0.07 0.00 0.21 0.00 0.00 52.86 55.30 2x9r s ASN 127 Cb 0.29 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 38.45 2x9r s ASN 127 CO -0.03 -1.56 0.90 -2.65 -2.79 0.00 0.00 177.10 170.98 2x9r n PRO 128 N 8.18 -0.10 -0.31 0.43 -0.02 -1.26 -1.22 135.00 140.70 2x9r n PRO 128 Ca 0.24 0.90 0.01 0.00 -2.02 0.00 0.00 63.50 62.62 2x9r n PRO 128 Cb 0.44 -1.33 0.05 0.00 -0.02 0.00 0.00 33.50 32.64 2x9r n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2x9r n ILE 129 N -3.40 -0.42 0.10 4.25 5.41 -1.26 -0.30 119.36 123.74 2x9r n ILE 129 Ca 0.00 1.93 -0.04 0.00 1.00 0.00 0.00 62.75 65.65 2x9r n ILE 129 Cb 0.06 -2.58 0.02 0.00 -0.71 0.00 0.00 39.64 36.42 2x9r n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2x9r h ASN 130 N 0.00 0.00 -0.49 4.38 2.35 -1.56 -2.89 115.58 117.37 2x9r h ASN 130 Ca 0.32 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 2x9r h ASN 130 Cb 0.52 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2x9r h ASN 130 CO -0.83 0.81 0.21 0.40 -1.65 0.00 0.00 177.43 176.36 2x9r h ILE 131 N 0.00 1.20 0.49 2.81 1.08 0.80 -0.77 117.51 123.12 2x9r h ILE 131 Ca -0.01 -0.62 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 2x9r h ILE 131 Cb 1.46 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2x9r h ILE 131 CO 0.10 0.24 -0.24 0.00 -0.69 0.00 0.00 178.15 177.57 2x9r h ALA 132 N 1.47 -1.02 -0.95 1.87 0.00 -0.98 -2.61 119.26 117.04 2x9r h ALA 132 Ca 0.18 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.21 2x9r h ALA 132 Cb 0.16 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2x9r h ALA 132 CO -0.02 -0.97 0.67 1.88 0.00 0.00 0.00 179.25 180.82 2x9r h TYR 133 N -0.76 0.12 -0.10 0.00 0.99 -1.42 0.57 116.97 116.36 2x9r h TYR 133 Ca -0.07 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 2x9r h TYR 133 Cb 0.51 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.19 2x9r h TYR 133 CO 0.08 0.02 -0.38 0.00 -0.00 0.00 0.00 178.16 177.88 2x9r h ALA 134 N 1.54 1.18 0.12 3.88 0.00 -1.00 -2.77 119.26 122.21 2x9r h ALA 134 Ca 0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x9r h ALA 134 Cb 1.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2x9r h ALA 134 CO -0.05 0.55 -0.06 1.15 0.00 0.00 0.00 179.25 180.85 2x9r h THR 135 N 0.18 0.54 -0.76 0.00 2.02 0.50 -2.35 112.91 113.04 2x9r h THR 135 Ca 0.02 -1.19 0.14 0.00 0.77 0.00 0.00 66.41 66.15 2x9r h THR 135 Cb 0.75 0.97 -0.14 0.00 -1.74 0.00 0.00 68.15 67.99 2x9r h THR 135 CO 0.06 0.16 -0.29 0.24 0.37 0.00 0.00 175.52 176.06 2x9r h MET 136 N -0.99 -0.06 -0.07 6.66 2.07 -1.48 2.29 114.93 123.36 2x9r h MET 136 Ca -0.02 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.64 2x9r h MET 136 Cb 0.39 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.13 2x9r h MET 136 CO 0.03 -0.04 0.06 1.49 1.07 0.00 0.00 176.91 179.52 2x9r h GLU 137 N -0.06 0.00 0.53 1.72 4.57 -1.58 0.59 114.58 120.36 2x9r h GLU 137 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.48 2x9r h GLU 137 Cb 0.58 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2x9r h GLU 137 CO -0.81 0.00 -0.25 0.00 -1.18 0.00 0.00 179.01 176.77 2x9r h ALA 138 N 1.94 -0.80 -0.42 2.92 0.00 0.43 -2.96 119.26 120.37 2x9r h ALA 138 Ca 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2x9r h ALA 138 Cb 0.16 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2x9r h ALA 138 CO -0.00 -0.75 -0.01 -0.07 0.00 0.00 0.00 179.25 178.42 2x9r h LEU 139 N -1.05 -0.20 0.00 0.00 3.38 -0.28 0.40 115.31 117.55 2x9r h LEU 139 Ca -0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2x9r h LEU 139 Cb 0.55 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2x9r h LEU 139 CO 0.12 -0.06 0.03 -1.14 0.09 0.00 0.00 178.44 177.48 2x9r n ARG 140 N -5.22 0.00 -0.08 1.13 0.63 0.20 -0.16 116.66 113.16 2x9r n ARG 140 Ca 0.03 0.11 0.06 0.00 -0.92 0.00 0.00 57.85 57.14 2x9r n ARG 140 Cb 0.22 -1.53 0.11 0.00 0.45 0.00 0.00 32.46 31.71 2x9r n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2x9r n GLN 141 N -1.04 2.06 -3.00 -0.14 6.02 0.14 -5.00 117.38 116.42 2x9r n GLN 141 Ca 0.00 -2.23 -0.41 0.00 -0.01 0.00 0.00 57.00 54.35 2x9r n GLN 141 Cb 0.03 -1.36 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 2x9r n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2x9r s LEU 142 N -2.17 4.08 -0.08 1.08 1.43 0.78 -5.04 118.68 118.75 2x9r s LEU 142 Ca 0.22 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2x9r s LEU 142 Cb 0.19 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2x9r s LEU 142 CO 0.03 -0.48 -0.07 -0.13 0.23 0.00 0.00 176.35 175.93 2x9r s ARG 143 N 2.73 2.85 0.35 1.70 1.81 -1.26 -4.87 118.95 122.26 2x9r s ARG 143 Ca 0.30 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.76 2x9r s ARG 143 Cb -0.15 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.69 2x9r s ARG 143 CO 0.09 0.61 0.57 0.95 -0.68 0.00 0.00 175.30 176.84 2x9r s THR 144 N -0.67 5.08 0.63 0.02 -4.23 -1.26 -4.84 115.64 110.38 2x9r s THR 144 Ca 0.10 -0.35 0.27 0.00 -1.18 0.00 0.00 61.69 60.54 2x9r s THR 144 Cb -0.11 -3.85 0.31 0.00 1.34 0.00 0.00 72.50 70.19 2x9r s THR 144 CO 0.02 -0.55 1.81 0.50 -0.54 0.00 0.00 174.62 175.86 2x9r h LYS 145 N 0.84 0.00 0.00 3.99 3.64 -1.99 -1.64 116.57 121.41 2x9r h LYS 145 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2x9r h LYS 145 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2x9r h LYS 145 CO 0.62 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 2x9r n ALA 146 N -2.07 -0.18 -0.29 5.00 0.00 -1.26 -1.74 120.51 119.98 2x9r n ALA 146 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 2x9r n ALA 146 Cb 0.60 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.42 2x9r n ALA 146 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x9r n ASP 147 N -1.21 0.07 0.00 0.00 8.00 -0.71 -1.28 116.55 121.43 2x9r n ASP 147 Ca 0.00 1.44 0.00 0.00 0.71 0.00 0.00 54.79 56.94 2x9r n ASP 147 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 2x9r n ASP 147 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2x9r n VAL 148 N -5.11 0.00 0.27 2.53 0.31 -0.70 -2.27 118.33 113.36 2x9r n VAL 148 Ca 0.26 1.41 0.17 0.00 -0.01 0.00 0.00 64.34 66.16 2x9r n VAL 148 Cb 0.85 -2.25 0.83 0.00 -0.91 0.00 0.00 33.84 32.37 2x9r n VAL 148 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2x9r h GLU 149 N 0.00 0.00 0.00 5.55 4.11 -0.32 0.41 114.58 124.33 2x9r h GLU 149 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2x9r h GLU 149 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2x9r h GLU 149 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 179.01 178.99 2x9r h ARG 150 N 0.00 0.00 -0.62 1.06 2.43 -0.85 -3.08 114.38 113.32 2x9r h ARG 150 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2x9r h ARG 150 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2x9r h ARG 150 CO -0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 2x9r n LEU 151 N -2.57 3.74 -0.40 3.80 4.77 0.14 -3.83 117.00 122.66 2x9r n LEU 151 Ca 0.04 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2x9r n LEU 151 Cb 0.44 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2x9r n LEU 151 CO 0.30 0.69 0.24 0.54 -1.33 0.00 0.00 177.39 177.84 2x9r n ARG 152 N 0.93 0.00 0.00 3.23 1.74 -1.17 -5.03 116.66 116.36 2x9r n ARG 152 Ca 0.20 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.50 2x9r n ARG 152 Cb 0.69 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.69 2x9r n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9r n LYS 153 N 0.00 0.00 -3.28 5.56 4.76 -1.19 -4.87 118.16 119.14 2x9r n LYS 153 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2x9r n LYS 153 Cb 0.64 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.76 2x9r n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x9r n GLY 154 N 0.45 4.06 0.00 0.72 0.00 -1.26 -5.13 105.19 104.02 2x9r n GLY 154 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2x9r n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11