#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8s s MET 1 N 0.00 3.45 -0.47 -0.78 1.00 -1.26 -4.99 119.30 116.25 3d8s s MET 1 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 55.69 54.89 3d8s s MET 1 Cb 0.00 -3.83 0.07 0.00 0.00 0.00 0.00 34.83 31.07 3d8s s MET 1 CO 0.00 -0.49 0.39 1.03 0.00 0.00 0.00 175.02 175.94 3d8s s ARG 2 N 1.77 2.97 -0.27 2.03 0.52 -1.26 0.08 118.95 124.79 3d8s s ARG 2 Ca 0.07 -1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 53.86 3d8s s ARG 2 Cb -0.17 -4.11 -0.03 0.00 0.52 0.00 0.00 34.95 31.15 3d8s s ARG 2 CO 0.11 -1.01 0.11 0.42 0.02 0.00 0.00 175.30 174.96 3d8s s ILE 3 N 1.64 4.59 0.01 1.52 1.01 -0.07 -0.34 121.20 129.56 3d8s s ILE 3 Ca 0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 3d8s s ILE 3 Cb -0.24 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3d8s s ILE 3 CO 0.07 0.26 0.81 0.00 0.00 0.00 0.00 174.94 176.07 3d8s s ALA 4 N 1.65 3.30 -0.26 9.38 0.00 0.12 -1.21 121.76 134.74 3d8s s ALA 4 Ca 0.06 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 3d8s s ALA 4 Cb -0.16 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3d8s s ALA 4 CO 0.06 -0.06 0.04 -0.47 0.00 0.00 0.00 175.76 175.34 3d8s s TYR 5 N 0.44 3.07 -2.04 0.00 5.04 0.94 -0.43 117.35 124.38 3d8s s TYR 5 Ca 0.42 -0.71 0.27 0.00 -2.44 0.00 0.00 57.07 54.61 3d8s s TYR 5 Cb -0.20 -2.21 0.87 0.00 0.35 0.00 0.00 41.96 40.77 3d8s s TYR 5 CO 0.23 -0.47 1.63 0.00 -1.34 0.00 0.00 175.55 175.61 3d8s n ALA 6 N 4.88 2.88 -1.90 3.97 0.00 -0.79 -1.13 120.51 128.43 3d8s n ALA 6 Ca -0.16 -0.42 -0.31 0.00 0.00 0.00 0.00 53.44 52.55 3d8s n ALA 6 Cb 0.50 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.83 3d8s n ALA 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d8s s GLY 7 N -2.31 1.64 -0.12 0.00 0.00 -1.26 -3.62 107.32 101.64 3d8s s GLY 7 Ca 0.29 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.69 3d8s s GLY 7 CO 0.45 0.11 0.46 -2.00 0.00 0.00 0.00 173.10 172.11 3d8s h LEU 8 N -0.37 0.32-10.41 0.66 5.85 -1.96 -3.42 115.31 105.99 3d8s h LEU 8 Ca -0.44 -0.82 -0.43 0.00 0.84 0.00 0.00 57.88 57.03 3d8s h LEU 8 Cb 1.21 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 42.15 3d8s h LEU 8 CO 0.62 1.65 -0.26 -0.13 -0.34 0.00 0.00 178.44 179.98 3d8s s ARG 9 N -2.48 2.90 -1.78 1.25 0.52 -1.26 -4.54 118.95 113.56 3d8s s ARG 9 Ca -0.22 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 3d8s s ARG 9 Cb 0.05 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3d8s s ARG 9 CO 0.74 -0.21 0.00 0.54 0.02 0.00 0.00 175.30 176.38 3d8s n ARG 10 N -1.84 -1.69 0.11 3.54 1.74 -1.26 -4.91 116.66 112.35 3d8s n ARG 10 Ca 0.06 1.01 -0.13 0.00 -0.77 0.00 0.00 57.85 58.02 3d8s n ARG 10 Cb 0.59 -5.67 -0.07 0.00 -1.02 0.00 0.00 32.46 26.29 3d8s n ARG 10 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3d8s h LYS 11 N 0.00 -0.26 -0.06 5.56 1.57 -1.90 0.14 116.57 121.61 3d8s h LYS 11 Ca -0.49 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 3d8s h LYS 11 Cb 1.36 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 3d8s h LYS 11 CO 0.58 -0.17 -0.35 0.93 -0.57 0.00 0.00 179.45 179.87 3d8s h GLU 12 N -0.27 0.11 -0.34 3.15 4.39 -1.97 -1.40 114.58 118.25 3d8s h GLU 12 Ca -0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 3d8s h GLU 12 Cb 0.25 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3d8s h GLU 12 CO -0.02 0.45 -0.10 1.49 -1.16 0.00 0.00 179.01 179.68 3d8s h GLU 13 N 0.10 0.66 -0.38 2.33 4.81 -1.91 -2.16 114.58 118.02 3d8s h GLU 13 Ca 0.01 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3d8s h GLU 13 Cb 0.67 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3d8s h GLU 13 CO 0.05 0.84 0.22 0.35 -0.73 0.00 0.00 179.01 179.74 3d8s h PHE 14 N 0.45 0.42 -0.40 0.92 3.57 -0.47 -1.76 116.94 119.66 3d8s h PHE 14 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3d8s h PHE 14 Cb 0.60 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3d8s h PHE 14 CO 0.05 0.24 0.19 0.87 -2.23 0.00 0.00 178.31 177.44 3d8s h LYS 15 N 0.45 0.58 -0.49 1.11 1.57 -1.23 -0.92 116.57 117.65 3d8s h LYS 15 Ca 0.15 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3d8s h LYS 15 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3d8s h LYS 15 CO -0.07 0.51 0.22 0.00 -0.57 0.00 0.00 179.45 179.54 3d8s h ALA 16 N 1.04 0.63 -0.40 3.86 0.00 -1.32 -2.58 119.26 120.50 3d8s h ALA 16 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3d8s h ALA 16 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3d8s h ALA 16 CO -0.02 0.21 -0.26 -0.07 0.00 0.00 0.00 179.25 179.11 3d8s h LEU 17 N 0.64 0.86 0.12 0.00 3.38 -1.18 -2.17 115.31 116.96 3d8s h LEU 17 Ca 0.17 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3d8s h LEU 17 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3d8s h LEU 17 CO -0.02 1.07 -0.20 0.00 0.09 0.00 0.00 178.44 179.38 3d8s h ALA 18 N 0.99 -0.35 0.00 1.53 0.00 -0.99 -2.33 119.26 118.10 3d8s h ALA 18 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3d8s h ALA 18 Cb 0.80 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3d8s h ALA 18 CO 0.07 -0.73 -0.32 0.93 0.00 0.00 0.00 179.25 179.20 3d8s h GLU 19 N -0.39 0.00 -0.50 0.00 5.08 -1.43 0.53 114.58 117.88 3d8s h GLU 19 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3d8s h GLU 19 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3d8s h GLU 19 CO -0.10 0.32 0.30 -0.22 -1.00 0.00 0.00 179.01 178.31 3d8s h LYS 20 N 0.00 0.66 -0.31 2.33 3.64 -1.21 -3.03 116.57 118.66 3d8s h LYS 20 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3d8s h LYS 20 Cb 0.61 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3d8s h LYS 20 CO 0.04 0.46 0.00 1.28 -2.27 0.00 0.00 179.45 178.96 3d8s n LEU 21 N -4.44 3.22 0.00 5.20 4.77 -0.52 -4.98 117.00 120.25 3d8s n LEU 21 Ca 0.04 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 3d8s n LEU 21 Cb 0.07 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3d8s n LEU 21 CO 0.36 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3d8s n GLY 22 N 1.32 0.64 3.81 -0.72 0.00 -0.37 -5.07 105.19 104.80 3d8s n GLY 22 Ca 0.17 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 3d8s n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d8s s PHE 23 N -2.00 3.02 -0.43 1.61 0.08 0.04 -4.48 117.98 115.82 3d8s s PHE 23 Ca 0.00 -0.17 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 3d8s s PHE 23 Cb 0.00 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 3d8s s PHE 23 CO 0.00 0.45 0.31 0.99 -0.10 0.00 0.00 175.22 176.87 3d8s s THR 24 N -2.20 4.80 0.24 0.64 2.01 0.11 -3.73 115.64 117.52 3d8s s THR 24 Ca 0.35 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 3d8s s THR 24 Cb -0.07 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 3d8s s THR 24 CO 0.25 -0.47 1.07 -2.16 -0.69 0.00 0.00 174.62 172.62 3d8s s PRO 25 N 1.56 4.67 -0.01 4.92 0.04 -1.26 -0.89 135.00 144.02 3d8s s PRO 25 Ca 0.03 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.82 3d8s s PRO 25 Cb -0.22 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 3d8s s PRO 25 CO 0.05 0.23 -0.09 -0.51 0.04 0.00 0.00 177.00 176.73 3d8s s LEU 26 N -1.08 1.95 -0.28 -3.56 1.43 -0.35 -4.91 118.68 111.88 3d8s s LEU 26 Ca 0.45 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3d8s s LEU 26 Cb -0.30 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3d8s s LEU 26 CO 0.38 0.10 0.09 -0.76 0.23 0.00 0.00 176.35 176.38 3d8s s LEU 27 N -0.10 3.75 -0.45 1.79 1.43 -1.26 -0.04 118.68 123.80 3d8s s LEU 27 Ca 0.02 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3d8s s LEU 27 Cb -0.05 -1.91 0.20 0.00 0.03 0.00 0.00 46.19 44.46 3d8s s LEU 27 CO -0.00 -0.14 0.44 0.49 0.23 0.00 0.00 176.35 177.37 3d8s n PHE 28 N 4.91 -0.01 -1.93 0.29 3.72 -0.28 -4.92 117.46 119.23 3d8s n PHE 28 Ca -0.15 -3.55 -0.34 0.00 -0.05 0.00 0.00 57.45 53.36 3d8s n PHE 28 Cb 0.49 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 3d8s n PHE 28 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3d8s s PRO 29 N -0.66 2.95 0.00 -1.08 0.04 -1.26 -4.04 135.00 130.95 3d8s s PRO 29 Ca 0.33 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3d8s s PRO 29 Cb 0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3d8s s PRO 29 CO -0.16 -1.17 0.51 1.33 0.04 0.00 0.00 177.00 177.56 3d8s n VAL 30 N -1.94 0.18 -4.31 -0.36 0.24 -1.24 -4.32 118.33 106.58 3d8s n VAL 30 Ca 0.12 -0.48 -0.24 0.00 -2.04 0.00 0.00 64.34 61.69 3d8s n VAL 30 Cb 0.51 1.07 -0.12 0.00 -1.47 0.00 0.00 33.84 33.83 3d8s n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d8s s GLN 31 N -0.18 1.19 0.51 7.34 -2.07 -1.26 -0.70 119.66 124.49 3d8s s GLN 31 Ca 0.00 -1.24 0.30 0.00 -1.82 0.00 0.00 55.36 52.60 3d8s s GLN 31 Cb 0.00 -1.42 1.22 0.00 -1.09 0.00 0.00 33.01 31.71 3d8s s GLN 31 CO 0.00 0.32 1.93 0.00 -1.32 0.00 0.00 175.29 176.22 3d8s h ALA 32 N 3.84 1.02 -4.01 2.60 0.00 -0.87 -3.41 119.26 118.42 3d8s h ALA 32 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3d8s h ALA 32 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3d8s h ALA 32 CO 0.42 0.09 -0.89 0.25 0.00 0.00 0.00 179.25 179.13 3d8s n THR 33 N -3.21-10.60 0.00 0.00 -2.24 -1.26 -5.03 114.28 91.94 3d8s n THR 33 Ca 0.00 2.98 0.00 0.00 -2.27 0.00 0.00 64.05 64.76 3d8s n THR 33 Cb 0.35 -4.70 0.00 0.00 -2.10 0.00 0.00 70.33 63.87 3d8s n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d8s n GLU 34 N 1.37 0.00 -2.56 -0.78 1.02 -1.26 -5.03 120.64 113.41 3d8s n GLU 34 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 3d8s n GLU 34 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3d8s n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3d8s s LYS 35 N 2.81 3.83 -0.14 3.49 1.02 -1.26 -4.54 119.74 124.94 3d8s s LYS 35 Ca 0.00 0.85 -0.20 0.00 0.02 0.00 0.00 55.97 56.63 3d8s s LYS 35 Cb 0.00 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 3d8s s LYS 35 CO 0.00 -1.23 0.59 0.08 -0.92 0.00 0.00 175.35 173.86 3d8s s VAL 36 N 4.34 5.09 0.41 3.17 1.01 -0.65 -4.92 120.40 128.84 3d8s s VAL 36 Ca 0.50 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 3d8s s VAL 36 Cb -0.11 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3d8s s VAL 36 CO 0.26 0.22 1.26 -2.16 0.00 0.00 0.00 175.10 174.68 3d8s s PRO 37 N 1.24 3.96 -0.53 2.72 0.04 -1.26 0.34 135.00 141.50 3d8s s PRO 37 Ca 0.29 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 3d8s s PRO 37 Cb -0.16 -2.71 0.12 0.00 0.04 0.00 0.00 34.50 31.79 3d8s s PRO 37 CO 0.12 -0.47 0.51 0.08 0.04 0.00 0.00 177.00 177.28 3d8s s VAL 38 N -1.31 5.16 0.25 -0.36 1.01 -0.31 -4.78 120.40 120.06 3d8s s VAL 38 Ca 0.58 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3d8s s VAL 38 Cb -0.36 -4.32 0.25 0.00 0.00 0.00 0.00 36.38 31.95 3d8s s VAL 38 CO 0.46 -0.85 1.89 1.55 0.00 0.00 0.00 175.10 178.14 3d8s h PRO 39 N 8.91 1.16 0.00 2.72 0.13 -1.94 -1.91 132.00 141.07 3d8s h PRO 39 Ca -0.30 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3d8s h PRO 39 Cb 1.10 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3d8s h PRO 39 CO 1.02 0.77 0.00 -0.85 -0.23 0.00 0.00 178.00 178.71 3d8s n GLU 40 N -4.49 0.66 -0.23 0.86 0.28 -1.26 -4.20 120.64 112.26 3d8s n GLU 40 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.22 3d8s n GLU 40 Cb 0.12 -1.19 0.17 0.00 1.43 0.00 0.00 31.44 31.97 3d8s n GLU 40 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3d8s n TYR 41 N -0.69 0.38 -0.03 -1.84 9.36 -0.72 -1.51 117.16 122.10 3d8s n TYR 41 Ca 0.06 0.80 -0.04 0.00 3.32 0.00 0.00 57.90 62.03 3d8s n TYR 41 Cb 0.03 -0.97 -0.03 0.00 -0.63 0.00 0.00 39.34 37.74 3d8s n TYR 41 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3d8s n ARG 42 N -4.93 0.16 0.04 2.98 0.63 -1.26 -0.73 116.66 113.54 3d8s n ARG 42 Ca 0.14 0.04 0.05 0.00 -0.92 0.00 0.00 57.85 57.16 3d8s n ARG 42 Cb 0.46 -1.11 0.45 0.00 0.45 0.00 0.00 32.46 32.72 3d8s n ARG 42 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3d8s h ASP 43 N -0.01 0.41 -0.44 6.15 3.32 -1.78 -1.49 116.42 122.59 3d8s h ASP 43 Ca -0.14 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 3d8s h ASP 43 Cb 1.22 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3d8s h ASP 43 CO -0.02 0.29 -0.01 1.56 -1.72 0.00 0.00 179.24 179.34 3d8s h GLN 44 N 0.48 0.85 -0.33 3.56 1.08 0.17 -1.43 115.11 119.48 3d8s h GLN 44 Ca 0.13 -0.24 -0.18 0.00 -1.45 0.00 0.00 58.65 56.91 3d8s h GLN 44 Cb -0.05 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3d8s h GLN 44 CO -0.03 0.86 -0.49 0.28 -0.95 0.00 0.00 178.83 178.51 3d8s h VAL 45 N 0.79 1.27 -0.79 -0.54 2.07 -1.01 -0.96 116.25 117.09 3d8s h VAL 45 Ca 0.15 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 66.01 3d8s h VAL 45 Cb 0.49 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3d8s h VAL 45 CO 0.02 0.55 0.52 0.03 0.02 0.00 0.00 177.57 178.72 3d8s h ARG 46 N 0.71 1.03 -0.34 1.57 3.08 -1.19 -2.28 114.38 116.96 3d8s h ARG 46 Ca 0.03 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 3d8s h ARG 46 Cb 1.09 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3d8s h ARG 46 CO 0.11 0.68 -0.43 1.49 -1.07 0.00 0.00 179.97 180.76 3d8s h GLU 47 N 1.06 0.87 -0.64 0.04 4.81 -0.91 -3.06 114.58 116.75 3d8s h GLU 47 Ca 0.29 -0.48 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3d8s h GLU 47 Cb -0.10 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3d8s h GLU 47 CO -0.07 1.12 0.42 1.25 -0.73 0.00 0.00 179.01 181.00 3d8s h LEU 48 N 0.70 0.70 -1.43 1.64 5.85 -0.83 -1.66 115.31 120.28 3d8s h LEU 48 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3d8s h LEU 48 Cb 1.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3d8s h LEU 48 CO 0.10 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.70 3d8s h ALA 49 N 1.61 1.00 0.00 1.25 0.00 -1.31 -0.56 119.26 121.25 3d8s h ALA 49 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3d8s h ALA 49 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d8s h ALA 49 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.23 3d8s n GLN 50 N -2.64 0.18 0.00 0.00 1.13 -0.62 -4.87 117.38 110.56 3d8s n GLN 50 Ca 0.00 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 3d8s n GLN 50 Cb 0.20 -1.84 0.00 0.00 0.11 0.00 0.00 30.24 28.70 3d8s n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d8s n GLY 51 N 0.04 2.99 3.19 1.08 0.00 -0.22 -5.10 105.19 107.18 3d8s n GLY 51 Ca 0.02 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3d8s n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d8s s VAL 52 N -0.89 0.28 -0.14 1.61 -7.23 -1.26 -4.92 120.40 107.84 3d8s s VAL 52 Ca 0.00 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.31 3d8s s VAL 52 Cb 0.00 -2.16 -0.23 0.00 0.56 0.00 0.00 36.38 34.55 3d8s s VAL 52 CO 0.00 -0.38 0.27 0.47 -0.31 0.00 0.00 175.10 175.14 3d8s n ASP 53 N -0.18 1.03 -3.98 4.85 8.00 0.13 -4.34 116.55 122.06 3d8s n ASP 53 Ca -0.05 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.45 3d8s n ASP 53 Cb 0.64 0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.66 3d8s n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3d8s s LEU 54 N -6.15 2.06 -0.09 0.64 0.20 -0.72 -1.02 118.68 113.59 3d8s s LEU 54 Ca -0.15 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.51 3d8s s LEU 54 Cb 0.07 -0.26 0.02 0.00 -0.43 0.00 0.00 46.19 45.59 3d8s s LEU 54 CO 0.78 0.02 -0.13 0.12 -0.29 0.00 0.00 176.35 176.85 3d8s s PHE 55 N -0.35 1.70 -0.21 5.38 5.36 0.15 -0.83 117.98 129.17 3d8s s PHE 55 Ca -0.00 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.21 3d8s s PHE 55 Cb -0.04 -1.26 0.02 0.00 -0.34 0.00 0.00 43.02 41.40 3d8s s PHE 55 CO -0.00 -0.42 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.04 3d8s s LEU 56 N 1.03 2.60 -0.13 6.12 0.20 -0.25 -0.92 118.68 127.32 3d8s s LEU 56 Ca -0.07 -0.68 -0.05 0.00 0.69 0.00 0.00 54.13 54.02 3d8s s LEU 56 Cb -0.15 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 3d8s s LEU 56 CO -0.01 -0.04 0.06 0.00 -0.29 0.00 0.00 176.35 176.06 3d8s s ALA 57 N 1.33 3.47 -0.09 5.97 0.00 -0.14 -1.53 121.76 130.77 3d8s s ALA 57 Ca 0.03 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3d8s s ALA 57 Cb -0.14 -1.76 -0.11 0.00 0.00 0.00 0.00 23.12 21.10 3d8s s ALA 57 CO -0.09 0.44 0.03 0.25 0.00 0.00 0.00 175.76 176.39 3d8s n THR 58 N 2.64 0.64 -4.14 0.00 -2.24 -1.22 -1.18 114.28 108.77 3d8s n THR 58 Ca -0.18 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 3d8s n THR 58 Cb 0.53 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.89 3d8s n THR 58 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d8s s THR 59 N -2.23 0.96 0.09 4.28 -4.23 -1.26 -4.60 115.64 108.65 3d8s s THR 59 Ca -0.05 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 58.98 3d8s s THR 59 Cb 0.03 -0.98 -0.10 0.00 1.34 0.00 0.00 72.50 72.80 3d8s s THR 59 CO 0.38 -0.29 1.65 1.23 -0.54 0.00 0.00 174.62 177.05 3d8s h GLY 60 N 4.29 0.26 0.76 3.99 0.00 -1.87 -2.57 103.07 107.93 3d8s h GLY 60 Ca -0.39 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 46.85 3d8s h GLY 60 CO 0.41 0.13 0.44 -2.08 0.00 0.00 0.00 176.54 175.43 3d8s h VAL 61 N 0.13 1.03 -0.74 4.60 2.07 -1.97 -1.87 116.25 119.51 3d8s h VAL 61 Ca 0.06 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3d8s h VAL 61 Cb 0.14 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3d8s h VAL 61 CO -0.01 0.15 0.27 1.23 0.02 0.00 0.00 177.57 179.24 3d8s h GLY 62 N 0.82 1.19 0.90 2.17 0.00 -1.89 0.63 103.07 106.90 3d8s h GLY 62 Ca 0.31 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3d8s h GLY 62 CO -0.15 0.62 0.10 -2.08 0.00 0.00 0.00 176.54 175.03 3d8s h VAL 63 N 1.08 1.17 -0.62 4.60 2.07 -1.13 -1.47 116.25 121.95 3d8s h VAL 63 Ca 0.24 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3d8s h VAL 63 Cb 0.24 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3d8s h VAL 63 CO -0.02 0.17 0.26 0.03 0.02 0.00 0.00 177.57 178.04 3d8s h ARG 64 N 0.25 0.92 0.16 1.57 3.08 -1.06 -1.41 114.38 117.89 3d8s h ARG 64 Ca 0.08 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3d8s h ARG 64 Cb 0.18 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3d8s h ARG 64 CO -0.01 0.77 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.14 3d8s h ASP 65 N 0.87 -0.21 -0.43 7.04 3.32 -0.85 -1.70 116.42 124.46 3d8s h ASP 65 Ca 0.21 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.32 3d8s h ASP 65 Cb 0.19 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3d8s h ASP 65 CO -0.02 -0.14 0.16 0.25 -1.72 0.00 0.00 179.24 177.76 3d8s h LEU 66 N -0.23 0.17 -0.32 1.55 5.85 -1.11 0.59 115.31 121.81 3d8s h LEU 66 Ca -0.02 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3d8s h LEU 66 Cb 0.19 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3d8s h LEU 66 CO 0.03 0.13 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.09 3d8s h LEU 67 N 0.33 0.63 -0.39 2.25 3.38 -1.17 -0.60 115.31 119.74 3d8s h LEU 67 Ca 0.20 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3d8s h LEU 67 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3d8s h LEU 67 CO -0.20 0.86 0.20 -0.08 0.09 0.00 0.00 178.44 179.32 3d8s h GLU 68 N 0.39 0.40 -0.43 1.13 4.57 -1.21 -1.96 114.58 117.48 3d8s h GLU 68 Ca 0.08 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3d8s h GLU 68 Cb 0.60 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3d8s h GLU 68 CO 0.04 0.27 0.26 0.00 -1.18 0.00 0.00 179.01 178.39 3d8s h ALA 69 N 1.20 0.54 -0.32 2.92 0.00 -0.70 0.12 119.26 123.02 3d8s h ALA 69 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3d8s h ALA 69 Cb 0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3d8s h ALA 69 CO -0.11 -0.05 -0.32 0.78 0.00 0.00 0.00 179.25 179.56 3d8s h GLY 70 N 0.53 -0.30 1.02 0.00 0.00 -0.85 0.95 103.07 104.43 3d8s h GLY 70 Ca 0.16 0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.83 3d8s h GLY 70 CO -0.06 -0.21 0.07 0.50 0.00 0.00 0.00 176.54 176.84 3d8s h LYS 71 N -0.29 0.93 -0.55 4.80 1.57 -1.06 -0.83 116.57 121.14 3d8s h LYS 71 Ca 0.15 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3d8s h LYS 71 Cb 0.54 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3d8s h LYS 71 CO -0.48 0.91 0.36 0.00 -0.57 0.00 0.00 179.45 179.67 3d8s h ALA 72 N 0.98 1.81 -0.18 3.86 0.00 -0.44 -2.12 119.26 123.17 3d8s h ALA 72 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3d8s h ALA 72 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3d8s h ALA 72 CO 0.02 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3d8s n LEU 73 N -4.47 1.44 -0.93 0.00 4.77 0.30 -4.92 117.00 113.18 3d8s n LEU 73 Ca 0.07 -0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 55.32 3d8s n LEU 73 Cb 0.20 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3d8s n LEU 73 CO 0.34 0.32 -0.11 0.61 -1.33 0.00 0.00 177.39 177.22 3d8s n GLY 74 N 1.04 0.55 3.93 -0.72 0.00 -0.80 -5.02 105.19 104.17 3d8s n GLY 74 Ca 0.14 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3d8s n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d8s s LEU 75 N -2.51 4.33 -0.53 0.99 1.43 -0.35 -5.03 118.68 117.02 3d8s s LEU 75 Ca 0.00 0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 3d8s s LEU 75 Cb 0.00 -2.92 0.07 0.00 0.03 0.00 0.00 46.19 43.37 3d8s s LEU 75 CO 0.00 0.12 0.66 -0.62 0.23 0.00 0.00 176.35 176.73 3d8s s ASP 76 N -2.84 6.22 -0.16 2.29 2.15 -1.26 -4.28 116.67 118.78 3d8s s ASP 76 Ca 0.35 -1.01 0.10 0.00 0.43 0.00 0.00 52.55 52.41 3d8s s ASP 76 Cb -0.12 -2.30 -0.23 0.00 -0.30 0.00 0.00 42.92 39.97 3d8s s ASP 76 CO 0.28 -0.96 0.21 0.18 -0.17 0.00 0.00 175.17 174.71 3d8s n LEU 77 N 6.26 1.23 -0.15 -1.34 4.77 -1.26 -4.43 117.00 122.08 3d8s n LEU 77 Ca -0.07 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3d8s n LEU 77 Cb 0.45 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3d8s n LEU 77 CO 0.55 0.61 1.07 -0.33 -1.33 0.00 0.00 177.39 177.96 3d8s h GLU 78 N 0.01 0.61 0.00 3.23 5.08 -1.97 0.28 114.58 121.82 3d8s h GLU 78 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3d8s h GLU 78 Cb 2.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.20 3d8s h GLU 78 CO 0.03 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 178.86 3d8s n GLY 79 N -1.22 -3.18 0.31 -3.84 0.00 -1.26 -0.41 105.19 95.60 3d8s n GLY 79 Ca 0.02 0.55 0.03 0.00 0.00 0.00 0.00 46.02 46.61 3d8s n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d8s h PRO 80 N 0.00 0.83 0.00 1.61 0.11 -1.74 -2.63 132.00 130.17 3d8s h PRO 80 Ca 0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 3d8s h PRO 80 Cb 0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3d8s h PRO 80 CO 0.00 0.55 -0.35 -0.07 -0.21 0.00 0.00 178.00 177.92 3d8s h LEU 81 N 0.85 0.00 -0.87 2.35 3.38 -0.80 -2.45 115.31 117.78 3d8s h LEU 81 Ca 0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 3d8s h LEU 81 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3d8s h LEU 81 CO -0.23 0.35 -0.44 0.00 0.09 0.00 0.00 178.44 178.21 3d8s h ALA 82 N 1.65 0.98 0.00 1.53 0.00 -0.35 -2.87 119.26 120.21 3d8s h ALA 82 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3d8s h ALA 82 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3d8s h ALA 82 CO 0.05 0.55 -0.31 0.87 0.00 0.00 0.00 179.25 180.40 3d8s h LYS 83 N 0.00 0.00 -7.26 0.00 1.79 -1.42 -3.47 116.57 106.21 3d8s h LYS 83 Ca -0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.97 3d8s h LYS 83 Cb 0.96 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.65 3d8s h LYS 83 CO 0.06 0.00 0.39 0.00 -1.08 0.00 0.00 179.45 178.82 3d8s s ALA 84 N -3.26 2.99 0.05 3.86 0.00 -0.95 -4.98 121.76 119.47 3d8s s ALA 84 Ca 0.05 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 3d8s s ALA 84 Cb 0.06 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 3d8s s ALA 84 CO 0.71 -0.56 0.89 0.12 0.00 0.00 0.00 175.76 176.91 3d8s s PHE 85 N -2.83 3.73 -0.11 0.00 5.36 -0.19 -4.88 117.98 119.06 3d8s s PHE 85 Ca 0.58 1.64 0.03 0.00 -0.96 0.00 0.00 56.93 58.22 3d8s s PHE 85 Cb -0.11 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 3d8s s PHE 85 CO 0.42 0.16 -0.23 1.03 -1.46 0.00 0.00 175.22 175.14 3d8s s ARG 86 N 0.33 2.96 -0.01 10.12 0.52 -1.26 -0.68 118.95 130.93 3d8s s ARG 86 Ca 0.45 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.89 3d8s s ARG 86 Cb -0.21 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 3d8s s ARG 86 CO 0.26 0.10 -0.23 -0.51 0.02 0.00 0.00 175.30 174.95 3d8s s LEU 87 N 0.54 2.06 -0.10 2.53 1.02 -0.10 0.29 118.68 124.92 3d8s s LEU 87 Ca -0.14 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.62 3d8s s LEU 87 Cb -0.17 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.87 3d8s s LEU 87 CO 0.05 0.27 -0.22 0.00 0.02 0.00 0.00 176.35 176.46 3d8s s ALA 88 N -0.56 2.05 0.27 4.21 0.00 -0.34 -0.97 121.76 126.42 3d8s s ALA 88 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3d8s s ALA 88 Cb -0.09 -0.78 0.37 0.00 0.00 0.00 0.00 23.12 22.63 3d8s s ALA 88 CO -0.01 0.27 1.73 -0.09 0.00 0.00 0.00 175.76 177.66 3d8s h ARG 89 N 6.74 0.61 0.00 0.00 2.43 -1.43 0.64 114.38 123.38 3d8s h ARG 89 Ca -0.21 -0.20 -0.24 0.00 -0.81 0.00 0.00 59.98 58.52 3d8s h ARG 89 Cb 1.23 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 3d8s h ARG 89 CO 0.47 0.75 -0.17 0.41 -1.51 0.00 0.00 179.97 179.92 3d8s n GLY 90 N -0.47 2.64 0.34 2.80 0.00 -1.26 -0.69 105.19 108.54 3d8s n GLY 90 Ca 0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 3d8s n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8s h ALA 91 N 1.83 1.16 -0.46 4.61 0.00 -1.91 -2.04 119.26 122.46 3d8s h ALA 91 Ca -0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3d8s h ALA 91 Cb 0.84 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3d8s h ALA 91 CO 0.26 0.62 0.01 0.87 0.00 0.00 0.00 179.25 181.01 3d8s h LYS 92 N 1.09 0.80 -0.63 0.00 1.57 -1.97 -0.11 116.57 117.33 3d8s h LYS 92 Ca 0.26 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3d8s h LYS 92 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3d8s h LYS 92 CO -0.03 0.85 0.07 0.00 -0.57 0.00 0.00 179.45 179.77 3d8s h ALA 93 N 0.92 0.94 -0.29 3.86 0.00 -1.74 -2.39 119.26 120.55 3d8s h ALA 93 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3d8s h ALA 93 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3d8s h ALA 93 CO 0.02 0.65 0.11 0.00 0.00 0.00 0.00 179.25 180.03 3d8s h ALA 94 N 1.09 0.38 -0.27 0.00 0.00 -1.17 -2.04 119.26 117.26 3d8s h ALA 94 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3d8s h ALA 94 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3d8s h ALA 94 CO 0.02 -0.01 0.11 -0.09 0.00 0.00 0.00 179.25 179.28 3d8s h ARG 95 N 0.32 0.23 -0.70 0.00 2.43 -0.95 0.76 114.38 116.48 3d8s h ARG 95 Ca 0.10 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3d8s h ARG 95 Cb 0.20 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3d8s h ARG 95 CO -0.01 0.15 0.40 0.00 -1.51 0.00 0.00 179.97 179.01 3d8s h ALA 96 N 1.16 0.95 -0.14 2.80 0.00 -1.30 0.16 119.26 122.88 3d8s h ALA 96 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3d8s h ALA 96 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3d8s h ALA 96 CO -0.10 0.10 -0.03 -0.07 0.00 0.00 0.00 179.25 179.15 3d8s h LEU 97 N 0.74 0.27 -0.86 0.00 3.38 -1.07 -2.58 115.31 115.19 3d8s h LEU 97 Ca 0.31 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 58.05 3d8s h LEU 97 Cb 0.18 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3d8s h LEU 97 CO -0.18 0.56 0.49 0.50 0.09 0.00 0.00 178.44 179.91 3d8s h LYS 98 N -0.02 0.75 0.00 1.13 3.64 -0.55 0.69 116.57 122.21 3d8s h LYS 98 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3d8s h LYS 98 Cb 0.44 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3d8s h LYS 98 CO 0.01 0.50 -0.17 0.93 -2.27 0.00 0.00 179.45 178.45 3d8s h GLU 99 N 0.78 0.00 -0.12 1.90 5.08 -0.57 -2.08 114.58 119.56 3d8s h GLU 99 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3d8s h GLU 99 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3d8s h GLU 99 CO -0.29 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 177.89 3d8s n ALA 100 N -2.26 2.55 -1.79 3.43 0.00 -0.46 -4.89 120.51 117.09 3d8s n ALA 100 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 3d8s n ALA 100 Cb 0.32 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3d8s n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d8s n GLY 101 N 1.04 0.49 2.56 0.00 0.00 -0.78 -4.94 105.19 103.55 3d8s n GLY 101 Ca 0.16 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 3d8s n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d8s n LEU 102 N -1.31 3.35 -4.63 0.99 4.77 0.11 -5.01 117.00 115.26 3d8s n LEU 102 Ca -0.11 -4.61 -0.42 0.00 -0.03 0.00 0.00 56.01 50.84 3d8s n LEU 102 Cb 0.47 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3d8s n LEU 102 CO 0.15 1.96 0.68 -0.81 -1.33 0.00 0.00 177.39 178.04 3d8s n PRO 103 N -0.30 1.59 -2.02 3.23 -0.04 -1.23 -4.29 135.00 131.94 3d8s n PRO 103 Ca 0.27 0.56 -0.35 0.00 -0.04 0.00 0.00 63.50 63.94 3d8s n PRO 103 Cb 0.72 -2.09 0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3d8s n PRO 103 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3d8s s PRO 104 N -1.89 3.04 0.23 0.54 0.04 -1.26 -4.92 135.00 130.79 3d8s s PRO 104 Ca 0.60 1.60 0.16 0.00 0.04 0.00 0.00 61.00 63.40 3d8s s PRO 104 Cb -0.59 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.01 3d8s s PRO 104 CO 0.59 -1.10 1.30 0.45 0.04 0.00 0.00 177.00 178.28 3d8s h HIS 105 N 0.71 0.00 -3.22 0.56 3.86 -0.52 -3.46 115.15 113.09 3d8s h HIS 105 Ca -0.49 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.51 3d8s h HIS 105 Cb 1.27 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.45 3d8s h HIS 105 CO 0.51 0.49 -0.53 0.00 0.86 0.00 0.00 177.93 179.26 3d8s s ALA 106 N -2.97 -0.41 -0.07 2.45 0.00 -0.95 -5.03 121.76 114.78 3d8s s ALA 106 Ca 0.02 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.71 3d8s s ALA 106 Cb 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3d8s s ALA 106 CO 0.76 -0.14 -0.18 0.08 0.00 0.00 0.00 175.76 176.29 3d8s s VAL 107 N 0.74 1.53 0.00 0.00 1.01 -1.26 -1.19 120.40 121.23 3d8s s VAL 107 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3d8s s VAL 107 Cb -0.07 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3d8s s VAL 107 CO -0.04 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3d8s n GLY 108 N 3.47 -0.39 0.99 4.51 0.00 0.22 -4.98 105.19 109.02 3d8s n GLY 108 Ca -0.20 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.16 3d8s n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d8s n ASP 109 N -1.49 3.80 0.00 1.61 5.68 -1.12 -4.51 116.55 120.52 3d8s n ASP 109 Ca 0.00 -2.50 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 3d8s n ASP 109 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 3d8s n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d8s n GLY 110 N 0.30 2.42 3.80 6.12 0.00 0.13 -4.95 105.19 113.02 3d8s n GLY 110 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3d8s n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d8s s THR 111 N -2.50 4.80 0.31 2.61 -4.23 -1.26 -4.77 115.64 110.59 3d8s s THR 111 Ca 0.00 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3d8s s THR 111 Cb 0.00 -3.23 0.25 0.00 1.34 0.00 0.00 72.50 70.86 3d8s s THR 111 CO 0.00 0.29 1.97 0.28 -0.54 0.00 0.00 174.62 176.62 3d8s h SER 112 N 3.84 0.89 0.40 3.99 0.02 -1.92 -2.85 113.55 117.92 3d8s h SER 112 Ca -0.48 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 3d8s h SER 112 Cb 1.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3d8s h SER 112 CO 0.65 0.66 -0.17 0.07 -1.14 0.00 0.00 176.83 176.89 3d8s h LYS 113 N 1.04 0.00 0.00 3.45 2.10 -1.95 -1.24 116.57 119.97 3d8s h LYS 113 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3d8s h LYS 113 Cb -0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 3d8s h LYS 113 CO -0.06 0.17 0.00 -1.13 -2.00 0.00 0.00 179.45 176.43 3d8s n SER 114 N -3.75 0.60 0.02 7.07 3.41 -1.07 -2.85 113.62 117.04 3d8s n SER 114 Ca -0.02 0.65 -0.06 0.00 -0.26 0.00 0.00 58.87 59.18 3d8s n SER 114 Cb 0.28 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.34 3d8s n SER 114 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3d8s h LEU 115 N 0.00 0.00 -0.71 1.04 3.38 -1.35 -3.40 115.31 114.26 3d8s h LEU 115 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3d8s h LEU 115 Cb 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 3d8s h LEU 115 CO 0.00 0.88 -0.11 -0.07 0.09 0.00 0.00 178.44 179.24 3d8s h LEU 116 N 0.00 -0.53 0.00 1.67 3.38 -1.60 0.16 115.31 118.39 3d8s h LEU 116 Ca -0.17 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d8s h LEU 116 Cb 1.82 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.97 3d8s h LEU 116 CO 0.09 -0.21 0.00 -0.81 0.09 0.00 0.00 178.44 177.59 3d8s n PRO 117 N -5.42 0.36 0.00 1.13 -0.04 -1.26 -3.16 135.00 126.61 3d8s n PRO 117 Ca 0.11 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 3d8s n PRO 117 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 3d8s n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3d8s n LEU 118 N -1.28 1.77 -4.66 1.53 4.77 0.51 -4.91 117.00 114.72 3d8s n LEU 118 Ca 0.12 -0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 54.98 3d8s n LEU 118 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3d8s n LEU 118 CO 0.19 0.35 0.85 -0.76 -1.33 0.00 0.00 177.39 176.68 3d8s s LEU 119 N -2.60 4.10 0.46 2.23 1.43 -0.89 -4.99 118.68 118.42 3d8s s LEU 119 Ca 0.16 1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 54.48 3d8s s LEU 119 Cb 0.17 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 3d8s s LEU 119 CO 0.64 -0.62 0.80 -2.16 0.23 0.00 0.00 176.35 175.24 3d8s s PRO 120 N 3.05 3.67 0.29 1.29 0.04 -1.26 -5.06 135.00 137.02 3d8s s PRO 120 Ca 0.42 0.39 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 3d8s s PRO 120 Cb -0.15 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 3d8s s PRO 120 CO 0.07 -0.15 0.90 -1.14 0.04 0.00 0.00 177.00 176.72 3d8s s GLN 121 N -4.33 4.57 0.00 4.56 2.00 -1.26 -4.90 119.66 120.30 3d8s s GLN 121 Ca 0.50 1.27 0.00 0.00 -2.00 0.00 0.00 55.36 55.13 3d8s s GLN 121 Cb -0.10 -2.91 0.00 0.00 0.80 0.00 0.00 33.01 30.80 3d8s s GLN 121 CO 0.39 0.35 0.00 0.41 -0.50 0.00 0.00 175.29 175.94 3d8s n GLY 122 N 0.78 -1.80 3.39 2.59 0.00 -1.26 -5.13 105.19 103.76 3d8s n GLY 122 Ca 0.00 0.72 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 3d8s n GLY 122 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d8s s ARG 123 N 0.00 0.73 0.76 1.61 3.52 -1.26 -4.28 118.95 120.04 3d8s s ARG 123 Ca 0.00 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 3d8s s ARG 123 Cb 0.00 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 3d8s s ARG 123 CO 0.00 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 3d8s n GLY 124 N 1.91 0.96 3.45 8.12 0.00 -1.25 -4.79 105.19 113.59 3d8s n GLY 124 Ca -0.17 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3d8s n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d8s s VAL 125 N 0.00 3.69 -0.38 1.61 1.01 -1.26 -0.05 120.40 125.02 3d8s s VAL 125 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3d8s s VAL 125 Cb 0.00 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.82 3d8s s VAL 125 CO 0.00 0.48 0.18 0.00 0.00 0.00 0.00 175.10 175.76 3d8s s ALA 126 N 0.57 3.16 0.03 5.51 0.00 0.16 -0.70 121.76 130.49 3d8s s ALA 126 Ca -0.04 -1.96 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 3d8s s ALA 126 Cb -0.15 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.47 3d8s s ALA 126 CO 0.03 -1.50 1.29 0.00 0.00 0.00 0.00 175.76 175.58 3d8s s ALA 127 N 1.40 3.50 -0.22 0.00 0.00 -0.01 -0.94 121.76 125.50 3d8s s ALA 127 Ca 0.01 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3d8s s ALA 127 Cb -0.21 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.43 3d8s s ALA 127 CO 0.02 -0.68 -0.12 -1.17 0.00 0.00 0.00 175.76 173.82 3d8s s LEU 128 N 1.70 2.62 -0.09 0.00 2.96 0.46 -1.09 118.68 125.24 3d8s s LEU 128 Ca 0.61 -1.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3d8s s LEU 128 Cb -0.30 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3d8s s LEU 128 CO 0.27 -0.14 0.21 -1.58 -1.32 0.00 0.00 176.35 173.79 3d8s s GLN 129 N 1.29 3.57 0.12 1.98 -0.44 -0.58 -0.11 119.66 125.49 3d8s s GLN 129 Ca -0.03 0.01 -0.21 0.00 -2.50 0.00 0.00 55.36 52.63 3d8s s GLN 129 Cb -0.17 -3.20 0.06 0.00 -1.64 0.00 0.00 33.01 28.06 3d8s s GLN 129 CO -0.08 0.75 0.53 -0.51 0.50 0.00 0.00 175.29 176.49 3d8s s LEU 130 N -1.03 -0.21 -0.12 3.68 1.43 -1.08 -3.40 118.68 117.95 3d8s s LEU 130 Ca 0.17 -0.03 0.22 0.00 -1.03 0.00 0.00 54.13 53.46 3d8s s LEU 130 Cb -0.13 2.30 0.42 0.00 0.03 0.00 0.00 46.19 48.81 3d8s s LEU 130 CO 0.06 -0.88 1.16 0.00 0.23 0.00 0.00 176.35 176.92 3d8s n TYR 131 N -0.15 0.30 0.00 0.29 0.18 -1.26 -4.65 117.16 111.87 3d8s n TYR 131 Ca -0.17 -1.18 0.00 0.00 1.88 0.00 0.00 57.90 58.43 3d8s n TYR 131 Cb 0.64 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.60 3d8s n TYR 131 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3d8s n GLY 132 N -0.09 1.43 3.33 -7.48 0.00 -1.23 -4.84 105.19 96.31 3d8s n GLY 132 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3d8s n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d8s s LYS 133 N 0.00 0.94 0.70 1.61 -2.85 -1.26 -0.23 119.74 118.65 3d8s s LYS 133 Ca 0.00 -0.36 -0.16 0.00 -1.00 0.00 0.00 55.97 54.44 3d8s s LYS 133 Cb 0.00 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 3d8s s LYS 133 CO 0.00 -0.33 1.14 -2.30 0.10 0.00 0.00 175.35 173.96 3d8s n PRO 134 N 0.46 0.72 -3.89 1.78 -0.02 -1.26 -4.98 135.00 127.80 3d8s n PRO 134 Ca -0.18 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.31 3d8s n PRO 134 Cb 0.60 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 3d8s n PRO 134 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d8s s LEU 135 N -3.97 4.48 0.20 2.45 1.43 -1.26 -5.00 118.68 117.00 3d8s s LEU 135 Ca 0.77 -3.51 -0.11 0.00 -1.03 0.00 0.00 54.13 50.25 3d8s s LEU 135 Cb -0.36 -1.58 0.24 0.00 0.03 0.00 0.00 46.19 44.52 3d8s s LEU 135 CO 0.46 -0.14 1.74 -0.65 0.23 0.00 0.00 176.35 177.99 3d8s h PRO 136 N 5.81 0.35 -0.46 1.29 0.11 -1.97 0.83 132.00 137.96 3d8s h PRO 136 Ca 0.07 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.20 3d8s h PRO 136 Cb 0.81 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 3d8s h PRO 136 CO 0.69 0.23 0.22 1.25 -0.21 0.00 0.00 178.00 180.18 3d8s h LEU 137 N 0.36 0.31 -0.06 2.35 5.85 -1.98 0.65 115.31 122.77 3d8s h LEU 137 Ca 0.28 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3d8s h LEU 137 Cb 0.35 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3d8s h LEU 137 CO -0.30 0.22 -0.10 0.25 -0.34 0.00 0.00 178.44 178.17 3d8s h LEU 138 N 0.44 0.19 -0.81 2.25 5.85 -1.76 -2.22 115.31 119.25 3d8s h LEU 138 Ca 0.20 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3d8s h LEU 138 Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3d8s h LEU 138 CO -0.15 0.69 0.30 -0.33 -0.34 0.00 0.00 178.44 178.61 3d8s h GLU 139 N -0.30 1.19 -0.49 1.25 5.08 -0.58 -0.46 114.58 120.28 3d8s h GLU 139 Ca 0.01 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3d8s h GLU 139 Cb 0.65 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3d8s h GLU 139 CO 0.02 0.97 0.03 -0.91 -1.00 0.00 0.00 179.01 178.12 3d8s h ASN 140 N 1.15 0.82 -0.74 1.42 2.35 0.25 -2.25 115.58 118.58 3d8s h ASN 140 Ca 0.26 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3d8s h ASN 140 Cb 0.23 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3d8s h ASN 140 CO -0.02 0.90 0.34 0.00 -1.65 0.00 0.00 177.43 177.00 3d8s h ALA 141 N 0.94 0.96 -0.47 -0.83 0.00 -1.00 -1.01 119.26 117.85 3d8s h ALA 141 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3d8s h ALA 141 Cb 0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3d8s h ALA 141 CO 0.02 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.71 3d8s h LEU 142 N 1.05 0.77 -0.01 0.00 3.38 -1.02 -0.38 115.31 119.10 3d8s h LEU 142 Ca 0.25 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d8s h LEU 142 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3d8s h LEU 142 CO -0.03 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.36 3d8s h ALA 143 N 1.23 0.01 -0.72 1.53 0.00 -1.10 -1.04 119.26 119.17 3d8s h ALA 143 Ca 0.14 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.14 3d8s h ALA 143 Cb 0.49 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 3d8s h ALA 143 CO 0.02 -0.41 0.11 0.93 0.00 0.00 0.00 179.25 179.91 3d8s h GLU 144 N -0.12 0.20 0.00 0.00 5.08 -0.90 0.82 114.58 119.66 3d8s h GLU 144 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3d8s h GLU 144 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3d8s h GLU 144 CO -0.00 0.13 0.00 0.54 -1.00 0.00 0.00 179.01 178.68 3d8s n ARG 145 N -5.22 0.09 0.00 2.33 5.12 -0.18 -4.87 116.66 113.93 3d8s n ARG 145 Ca 0.13 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 3d8s n ARG 145 Cb 0.46 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 3d8s n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d8s n GLY 146 N -0.31 1.18 3.75 -0.13 0.00 0.28 -4.00 105.19 105.95 3d8s n GLY 146 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3d8s n GLY 146 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d8s s TYR 147 N -2.00 3.25 -0.05 1.61 1.51 -0.42 -3.81 117.35 117.44 3d8s s TYR 147 Ca 0.00 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 55.99 3d8s s TYR 147 Cb 0.00 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3d8s s TYR 147 CO 0.00 0.53 0.94 0.50 -1.11 0.00 0.00 175.55 176.41 3d8s s ARG 148 N -1.39 4.49 -0.14 -0.62 3.52 0.92 -4.03 118.95 121.71 3d8s s ARG 148 Ca 0.19 1.31 -0.23 0.00 -0.13 0.00 0.00 55.73 56.87 3d8s s ARG 148 Cb -0.12 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 3d8s s ARG 148 CO 0.09 -0.12 0.70 0.08 -0.81 0.00 0.00 175.30 175.24 3d8s s VAL 149 N 1.30 5.00 -0.49 7.11 1.01 -1.26 -0.67 120.40 132.40 3d8s s VAL 149 Ca 0.48 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 63.75 3d8s s VAL 149 Cb -0.20 -4.02 0.13 0.00 0.00 0.00 0.00 36.38 32.29 3d8s s VAL 149 CO 0.23 0.15 0.37 -0.22 0.00 0.00 0.00 175.10 175.63 3d8s s LEU 150 N 1.53 5.75 0.21 3.92 2.96 -0.11 -4.95 118.68 127.99 3d8s s LEU 150 Ca 0.34 -1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 51.98 3d8s s LEU 150 Cb -0.17 -2.02 -0.08 0.00 0.50 0.00 0.00 46.19 44.42 3d8s s LEU 150 CO 0.14 -0.69 0.99 -2.16 -1.32 0.00 0.00 176.35 173.31 3d8s s PRO 151 N 1.28 4.75 -0.25 0.98 0.04 -1.26 -0.40 135.00 140.14 3d8s s PRO 151 Ca 0.06 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 3d8s s PRO 151 Cb -0.26 -3.29 0.08 0.00 0.04 0.00 0.00 34.50 31.07 3d8s s PRO 151 CO -0.01 0.34 0.05 -0.51 0.04 0.00 0.00 177.00 176.91 3d8s s LEU 152 N -0.84 1.89 -0.19 -3.56 1.43 0.84 -4.90 118.68 113.36 3d8s s LEU 152 Ca 0.44 -1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 3d8s s LEU 152 Cb -0.27 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.19 3d8s s LEU 152 CO 0.33 -0.34 0.47 0.00 0.23 0.00 0.00 176.35 177.04 3d8s s MET 153 N 1.67 0.51 0.38 1.70 0.23 -1.26 -2.63 119.30 119.90 3d8s s MET 153 Ca 0.03 0.77 0.20 0.00 -1.03 0.00 0.00 55.69 55.66 3d8s s MET 153 Cb -0.17 0.14 0.49 0.00 -1.53 0.00 0.00 34.83 33.76 3d8s s MET 153 CO -0.15 -0.11 1.64 -1.00 -2.03 0.00 0.00 175.02 173.36 3d8s h PRO 154 N 6.22 0.00 -4.59 3.16 0.13 -1.89 -3.43 132.00 131.60 3d8s h PRO 154 Ca -0.31 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.54 3d8s h PRO 154 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3d8s h PRO 154 CO 0.24 0.30 -0.73 0.71 -0.23 0.00 0.00 178.00 178.29 3d8s s TYR 155 N -3.30 0.70 -0.12 1.56 1.51 -1.26 -1.17 117.35 115.27 3d8s s TYR 155 Ca 0.03 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 3d8s s TYR 155 Cb 0.08 -0.42 -0.02 0.00 -0.11 0.00 0.00 41.96 41.50 3d8s s TYR 155 CO 0.69 -0.08 -0.13 0.50 -1.11 0.00 0.00 175.55 175.41 3d8s s ARG 156 N -1.69 3.31 -0.11 -0.62 3.52 0.15 -3.48 118.95 120.04 3d8s s ARG 156 Ca -0.09 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.79 3d8s s ARG 156 Cb -0.09 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 3d8s s ARG 156 CO 0.00 0.25 0.04 -1.01 -0.81 0.00 0.00 175.30 173.77 3d8s s HIS 157 N 0.26 3.28 0.02 5.12 3.76 0.68 -1.64 115.29 126.77 3d8s s HIS 157 Ca -0.09 0.26 0.08 0.00 -0.15 0.00 0.00 55.06 55.16 3d8s s HIS 157 Cb -0.15 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 3d8s s HIS 157 CO 0.05 0.50 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.71 3d8s s LEU 158 N -0.78 2.32 0.72 0.89 1.43 -1.26 -4.61 118.68 117.39 3d8s s LEU 158 Ca 0.12 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3d8s s LEU 158 Cb -0.12 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3d8s s LEU 158 CO 0.03 0.28 1.07 -2.16 0.23 0.00 0.00 176.35 175.80 3d8s s PRO 159 N -1.11 2.72 -0.63 1.29 0.04 -1.26 -0.44 135.00 135.61 3d8s s PRO 159 Ca 0.12 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 3d8s s PRO 159 Cb -0.10 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.63 3d8s s PRO 159 CO 0.02 -1.21 0.48 0.34 0.04 0.00 0.00 177.00 176.66 3d8s s ASP 160 N -3.89 5.59 0.20 6.66 -1.08 0.12 -3.91 116.67 120.35 3d8s s ASP 160 Ca 0.59 -2.66 -0.11 0.00 -0.52 0.00 0.00 52.55 49.84 3d8s s ASP 160 Cb -0.14 -1.94 0.20 0.00 -1.46 0.00 0.00 42.92 39.59 3d8s s ASP 160 CO 0.54 -0.46 1.78 -0.65 0.52 0.00 0.00 175.17 176.91 3d8s h PRO 161 N 7.40 0.50 -0.49 4.34 0.11 -1.96 0.17 132.00 142.07 3d8s h PRO 161 Ca -0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3d8s h PRO 161 Cb 0.99 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3d8s h PRO 161 CO 0.74 0.33 0.23 0.93 -0.21 0.00 0.00 178.00 180.02 3d8s h GLU 162 N 0.52 0.71 -0.56 1.05 3.07 -1.98 -1.14 114.58 116.24 3d8s h GLU 162 Ca 0.27 -0.11 0.06 0.00 -0.50 0.00 0.00 59.36 59.08 3d8s h GLU 162 Cb 0.22 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 27.95 3d8s h GLU 162 CO -0.21 0.60 0.25 0.78 -1.40 0.00 0.00 179.01 179.04 3d8s h GLY 163 N 0.64 0.79 0.98 -3.84 0.00 -1.67 -1.16 103.07 98.81 3d8s h GLY 163 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d8s h GLY 163 CO -0.02 0.06 0.27 -2.22 0.00 0.00 0.00 176.54 174.64 3d8s h ILE 164 N 0.48 1.15 -0.34 2.60 2.04 -0.29 -2.11 117.51 121.04 3d8s h ILE 164 Ca 0.26 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3d8s h ILE 164 Cb 0.23 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3d8s h ILE 164 CO -0.22 0.15 -0.09 -0.07 0.00 0.00 0.00 178.15 177.92 3d8s h LEU 165 N 0.61 0.55 -0.46 1.44 3.38 -0.86 -1.48 115.31 118.49 3d8s h LEU 165 Ca 0.16 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3d8s h LEU 165 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3d8s h LEU 165 CO -0.03 0.69 0.04 0.03 0.09 0.00 0.00 178.44 179.26 3d8s h ARG 166 N 0.53 0.79 -0.28 1.13 3.08 -0.89 -0.57 114.38 118.17 3d8s h ARG 166 Ca 0.10 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3d8s h ARG 166 Cb 0.49 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3d8s h ARG 166 CO 0.03 0.82 0.10 1.25 -1.07 0.00 0.00 179.97 181.10 3d8s h LEU 167 N 0.65 0.40 -0.73 3.04 5.85 -1.28 0.45 115.31 123.69 3d8s h LEU 167 Ca 0.14 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3d8s h LEU 167 Cb 0.44 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3d8s h LEU 167 CO 0.02 0.47 0.37 -0.08 -0.34 0.00 0.00 178.44 178.88 3d8s h GLU 168 N 0.30 1.04 -0.17 1.25 4.81 -1.15 -0.90 114.58 119.75 3d8s h GLU 168 Ca 0.09 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3d8s h GLU 168 Cb 0.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3d8s h GLU 168 CO -0.01 0.80 0.11 0.93 -0.73 0.00 0.00 179.01 180.11 3d8s h GLU 169 N 1.01 0.24 -0.53 1.92 5.08 -1.06 -0.98 114.58 120.26 3d8s h GLU 169 Ca 0.25 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3d8s h GLU 169 Cb 0.09 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3d8s h GLU 169 CO -0.04 0.19 0.25 0.00 -1.00 0.00 0.00 179.01 178.42 3d8s h ALA 170 N 1.03 0.67 0.38 3.43 0.00 -0.47 -0.04 119.26 124.26 3d8s h ALA 170 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3d8s h ALA 170 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d8s h ALA 170 CO -0.01 -0.10 -0.18 0.28 0.00 0.00 0.00 179.25 179.23 3d8s h VAL 171 N 0.49 0.63 0.00 0.00 2.07 -1.11 -1.67 116.25 116.65 3d8s h VAL 171 Ca 0.24 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3d8s h VAL 171 Cb 0.17 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3d8s h VAL 171 CO -0.18 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.39 3d8s h LEU 172 N -0.64 0.00 -2.06 2.57 3.38 -0.91 -1.06 115.31 116.60 3d8s h LEU 172 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3d8s h LEU 172 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3d8s h LEU 172 CO 0.09 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.16 3d8s n ARG 173 N -2.65 2.31 -1.81 1.13 1.74 -0.05 -4.94 116.66 112.39 3d8s n ARG 173 Ca -0.00 -2.02 -0.13 0.00 -0.77 0.00 0.00 57.85 54.93 3d8s n ARG 173 Cb 0.18 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3d8s n ARG 173 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d8s n GLY 174 N 1.41 0.58 0.53 -0.13 0.00 -0.40 -4.91 105.19 102.28 3d8s n GLY 174 Ca 0.19 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3d8s n GLY 174 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d8s n GLU 175 N -2.42 1.51 -4.77 1.61 1.02 -0.64 -4.89 120.64 112.07 3d8s n GLU 175 Ca -0.14 -1.07 -0.25 0.00 -0.02 0.00 0.00 57.16 55.69 3d8s n GLU 175 Cb 0.52 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 3d8s n GLU 175 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3d8s s VAL 176 N -2.22 1.44 -0.15 2.62 -7.23 -1.24 -4.91 120.40 108.69 3d8s s VAL 176 Ca 0.28 -0.88 0.17 0.00 -1.81 0.00 0.00 61.98 59.75 3d8s s VAL 176 Cb 0.20 -1.22 -0.24 0.00 0.56 0.00 0.00 36.38 35.68 3d8s s VAL 176 CO 0.42 0.32 0.13 0.47 -0.31 0.00 0.00 175.10 176.14 3d8s n ASP 177 N 2.40 0.49 -3.83 4.85 8.00 0.54 -4.71 116.55 124.30 3d8s n ASP 177 Ca -0.16 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 3d8s n ASP 177 Cb 0.54 1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 42.69 3d8s n ASP 177 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d8s s ALA 178 N -2.62 -0.42 -0.14 2.24 0.00 -0.97 -1.28 121.76 118.57 3d8s s ALA 178 Ca -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 3d8s s ALA 178 Cb 0.07 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.54 3d8s s ALA 178 CO 0.76 -0.39 0.02 -1.17 0.00 0.00 0.00 175.76 174.98 3d8s s LEU 179 N -2.16 0.97 -0.32 0.00 2.96 0.03 -0.70 118.68 119.46 3d8s s LEU 179 Ca -0.04 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 3d8s s LEU 179 Cb -0.00 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 3d8s s LEU 179 CO -0.04 -0.25 0.33 0.00 -1.32 0.00 0.00 176.35 175.07 3d8s s ALA 180 N 1.89 3.52 -0.16 5.97 0.00 0.43 0.49 121.76 133.90 3d8s s ALA 180 Ca 0.02 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3d8s s ALA 180 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 3d8s s ALA 180 CO -0.07 -0.91 0.05 -0.06 0.00 0.00 0.00 175.76 174.77 3d8s s PHE 181 N 1.97 3.24 -1.34 0.00 0.40 0.55 -1.88 117.98 120.93 3d8s s PHE 181 Ca 0.11 0.08 0.18 0.00 -0.60 0.00 0.00 56.93 56.70 3d8s s PHE 181 Cb -0.16 -2.02 -0.08 0.00 0.51 0.00 0.00 43.02 41.27 3d8s s PHE 181 CO 0.11 0.22 0.86 1.33 0.70 0.00 0.00 175.22 178.44 3d8s n VAL 182 N 3.23 0.00 -3.79 -0.44 0.24 -1.26 -1.41 118.33 114.91 3d8s n VAL 182 Ca -0.17 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 3d8s n VAL 182 Cb 0.53 1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.92 3d8s n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d8s s ALA 183 N -2.30 -0.66 0.37 2.33 0.00 -1.26 -4.65 121.76 115.59 3d8s s ALA 183 Ca 0.12 0.58 0.09 0.00 0.00 0.00 0.00 51.96 52.75 3d8s s ALA 183 Cb 0.14 -0.29 0.83 0.00 0.00 0.00 0.00 23.12 23.81 3d8s s ALA 183 CO 0.56 -0.16 1.90 0.00 0.00 0.00 0.00 175.76 178.05 3d8s h ALA 184 N 5.20 1.85 -0.64 0.00 0.00 -1.85 -1.14 119.26 122.67 3d8s h ALA 184 Ca -0.27 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.72 3d8s h ALA 184 Cb 1.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3d8s h ALA 184 CO 0.35 -0.05 0.43 0.97 0.00 0.00 0.00 179.25 180.95 3d8s h ILE 185 N 0.67 0.95 -0.42 0.00 6.09 -1.96 -1.08 117.51 121.75 3d8s h ILE 185 Ca 0.40 -0.19 -0.04 0.00 -1.37 0.00 0.00 64.86 63.67 3d8s h ILE 185 Cb 0.63 0.35 -0.02 0.00 0.47 0.00 0.00 36.82 38.25 3d8s h ILE 185 CO -0.17 0.10 0.11 1.56 -3.07 0.00 0.00 178.15 176.69 3d8s h GLN 186 N 0.55 0.67 -0.42 2.19 4.20 -1.59 -0.41 115.11 120.30 3d8s h GLN 186 Ca 0.29 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3d8s h GLN 186 Cb 0.41 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3d8s h GLN 186 CO -0.09 0.68 0.24 0.28 -0.67 0.00 0.00 178.83 179.27 3d8s h VAL 187 N 0.55 1.03 -0.09 -0.54 2.07 -1.32 -1.34 116.25 116.61 3d8s h VAL 187 Ca 0.13 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3d8s h VAL 187 Cb 0.30 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3d8s h VAL 187 CO -0.00 0.09 -0.01 -0.33 0.02 0.00 0.00 177.57 177.33 3d8s h GLU 188 N 0.49 0.16 -0.37 1.57 5.08 -1.12 -2.30 114.58 118.10 3d8s h GLU 188 Ca 0.17 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3d8s h GLU 188 Cb 0.02 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3d8s h GLU 188 CO -0.09 0.47 0.09 0.74 -1.00 0.00 0.00 179.01 179.22 3d8s h PHE 189 N -0.15 0.14 -0.03 4.33 0.04 -0.99 -0.63 116.94 119.64 3d8s h PHE 189 Ca 0.02 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.85 3d8s h PHE 189 Cb 0.40 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 3d8s h PHE 189 CO 0.05 0.03 -0.34 1.25 -0.60 0.00 0.00 178.31 178.70 3d8s h LEU 190 N 0.21 -1.03 -0.56 1.54 5.85 -1.14 -0.47 115.31 119.70 3d8s h LEU 190 Ca 0.18 0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.88 3d8s h LEU 190 Cb 0.19 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3d8s h LEU 190 CO -0.22 -0.39 -0.58 -0.26 -0.34 0.00 0.00 178.44 176.64 3d8s h PHE 191 N -0.47 0.54 -0.27 1.25 -1.00 -1.29 -1.45 116.94 114.25 3d8s h PHE 191 Ca 0.07 -0.20 -0.12 0.00 2.81 0.00 0.00 57.97 60.52 3d8s h PHE 191 Cb 0.58 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3d8s h PHE 191 CO -0.38 0.91 -0.35 0.93 -1.61 0.00 0.00 178.31 177.81 3d8s h GLU 192 N 0.32 0.59 -0.01 1.51 5.08 -1.02 -3.20 114.58 117.85 3d8s h GLU 192 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3d8s h GLU 192 Cb 1.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3d8s h GLU 192 CO 0.10 0.86 -0.16 0.41 -1.00 0.00 0.00 179.01 179.22 3d8s n GLY 193 N -0.11 -0.05 3.78 -3.84 0.00 -0.19 -4.96 105.19 99.82 3d8s n GLY 193 Ca -0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3d8s n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8s s ALA 194 N -2.24 2.91 0.16 4.61 0.00 -0.56 -4.74 121.76 121.89 3d8s s ALA 194 Ca 0.29 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 3d8s s ALA 194 Cb 0.20 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3d8s s ALA 194 CO 0.43 -0.47 1.50 0.87 0.00 0.00 0.00 175.76 178.09 3d8s h LYS 195 N 1.81 0.89 -2.37 0.00 1.79 -1.90 -3.39 116.57 113.39 3d8s h LYS 195 Ca -0.49 -0.45 -0.59 0.00 -2.18 0.00 0.00 60.65 56.93 3d8s h LYS 195 Cb 1.23 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 31.50 3d8s h LYS 195 CO 0.60 1.10 -0.87 -3.47 -1.08 0.00 0.00 179.45 175.72 3d8s n ASP 196 N -4.06 1.08 0.16 0.86 -0.08 -1.26 -4.96 116.55 108.30 3d8s n ASP 196 Ca -0.02 -2.80 0.12 0.00 -1.51 0.00 0.00 54.79 50.58 3d8s n ASP 196 Cb 0.53 -0.64 0.65 0.00 2.34 0.00 0.00 41.12 44.00 3d8s n ASP 196 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3d8s h PRO 197 N 4.88 0.02 -0.22 -0.67 0.13 -1.83 -1.36 132.00 132.95 3d8s h PRO 197 Ca 0.18 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 3d8s h PRO 197 Cb 0.83 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3d8s h PRO 197 CO 0.54 0.02 -0.15 0.87 -0.23 0.00 0.00 178.00 179.05 3d8s h LYS 198 N 0.02 0.49 -0.54 0.86 1.57 -1.95 -1.20 116.57 115.82 3d8s h LYS 198 Ca 0.09 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3d8s h LYS 198 Cb 0.33 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3d8s h LYS 198 CO -0.00 0.79 0.06 0.00 -0.57 0.00 0.00 179.45 179.73 3d8s h ALA 199 N 0.69 0.72 -0.51 3.86 0.00 -1.89 -2.26 119.26 119.87 3d8s h ALA 199 Ca 0.04 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.79 3d8s h ALA 199 Cb 0.66 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3d8s h ALA 199 CO 0.04 0.49 0.07 1.25 0.00 0.00 0.00 179.25 181.10 3d8s h LEU 200 N 0.79 -0.07 -0.39 0.00 5.85 -1.25 -1.33 115.31 118.93 3d8s h LEU 200 Ca 0.16 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3d8s h LEU 200 Cb 0.45 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3d8s h LEU 200 CO 0.02 -0.01 0.21 -0.09 -0.34 0.00 0.00 178.44 178.23 3d8s h ARG 201 N 0.20 0.54 -0.29 1.25 2.43 -1.04 -1.79 114.38 115.68 3d8s h ARG 201 Ca 0.26 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3d8s h ARG 201 Cb 0.37 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3d8s h ARG 201 CO -0.37 0.44 -0.24 1.05 -1.51 0.00 0.00 179.97 179.33 3d8s h GLU 202 N 0.49 0.57 -0.31 0.20 4.11 -1.22 -1.65 114.58 116.77 3d8s h GLU 202 Ca 0.14 -0.22 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 3d8s h GLU 202 Cb 0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3d8s h GLU 202 CO -0.02 0.77 0.14 0.00 0.07 0.00 0.00 179.01 179.97 3d8s h ALA 203 N 1.24 0.41 0.00 1.06 0.00 -1.12 -2.27 119.26 118.57 3d8s h ALA 203 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3d8s h ALA 203 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3d8s h ALA 203 CO 0.05 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.56 3d8s n LEU 204 N -4.75 0.17 0.00 0.00 4.77 -0.68 -0.94 117.00 115.57 3d8s n LEU 204 Ca -0.02 0.53 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 3d8s n LEU 204 Cb 0.11 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3d8s n LEU 204 CO 0.36 -0.24 0.05 0.59 -1.33 0.00 0.00 177.39 176.81 3d8s n ASN 205 N -1.68 0.79 0.00 -1.43 3.02 -0.64 -4.25 115.26 111.07 3d8s n ASN 205 Ca 0.04 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3d8s n ASN 205 Cb 0.24 0.84 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3d8s n ASN 205 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d8s n THR 206 N -1.58 0.00 0.04 3.41 -2.24 -0.88 -4.96 114.28 108.07 3d8s n THR 206 Ca 0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 3d8s n THR 206 Cb 0.35 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 3d8s n THR 206 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3d8s h ARG 207 N 0.00 0.00 -5.94 -0.78 2.43 -1.44 -3.45 114.38 105.20 3d8s h ARG 207 Ca 0.00 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.50 3d8s h ARG 207 Cb 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 29.36 3d8s h ARG 207 CO 0.00 0.71 -0.67 0.08 -1.51 0.00 0.00 179.97 178.57 3d8s s VAL 208 N -2.71 3.86 -0.32 0.20 1.01 -0.11 -4.84 120.40 117.48 3d8s s VAL 208 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3d8s s VAL 208 Cb 0.09 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3d8s s VAL 208 CO 0.81 0.58 0.19 -0.54 0.00 0.00 0.00 175.10 176.14 3d8s s LYS 209 N -0.59 3.38 -0.15 2.72 1.02 -0.40 -4.18 119.74 121.54 3d8s s LYS 209 Ca 0.09 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 3d8s s LYS 209 Cb -0.12 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3d8s s LYS 209 CO 0.02 -0.44 1.09 0.00 -0.92 0.00 0.00 175.35 175.10 3d8s s ALA 210 N 1.66 3.56 -0.10 5.17 0.00 -1.26 -0.79 121.76 129.99 3d8s s ALA 210 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3d8s s ALA 210 Cb -0.17 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3d8s s ALA 210 CO 0.08 -0.87 -0.10 -0.51 0.00 0.00 0.00 175.76 174.36 3d8s s LEU 211 N 2.68 2.95 -0.07 0.00 1.43 0.18 -0.81 118.68 125.04 3d8s s LEU 211 Ca 0.49 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3d8s s LEU 211 Cb -0.19 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3d8s s LEU 211 CO 0.14 0.26 -0.16 0.00 0.23 0.00 0.00 176.35 176.81 3d8s s ALA 212 N -0.18 1.56 -0.56 4.21 0.00 -0.64 -0.33 121.76 125.81 3d8s s ALA 212 Ca 0.01 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 3d8s s ALA 212 Cb -0.13 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.40 3d8s s ALA 212 CO 0.03 0.19 0.99 0.08 0.00 0.00 0.00 175.76 177.05 3d8s s VAL 213 N 0.47 4.31 0.00 0.00 1.01 -0.50 -1.06 120.40 124.64 3d8s s VAL 213 Ca -0.14 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3d8s s VAL 213 Cb -0.16 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.64 3d8s s VAL 213 CO 0.05 -1.18 0.00 0.61 0.00 0.00 0.00 175.10 174.58 3d8s n GLY 214 N 5.12 -0.32 0.29 4.51 0.00 0.17 -4.19 105.19 110.78 3d8s n GLY 214 Ca 0.03 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.44 3d8s n GLY 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d8s h ARG 215 N 0.00 0.49 -0.44 1.61 9.65 -1.91 -2.59 114.38 121.19 3d8s h ARG 215 Ca 0.00 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.71 3d8s h ARG 215 Cb 0.00 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 3d8s h ARG 215 CO 0.00 0.39 -0.21 0.28 2.80 0.00 0.00 179.97 183.24 3d8s h VAL 216 N 0.50 1.27 -0.45 0.20 2.07 -1.98 0.10 116.25 117.96 3d8s h VAL 216 Ca 0.13 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 3d8s h VAL 216 Cb 0.07 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3d8s h VAL 216 CO -0.02 0.46 -0.11 0.74 0.02 0.00 0.00 177.57 178.66 3d8s h THR 217 N 0.76 1.26 -0.20 2.57 2.02 -1.67 -2.73 112.91 114.93 3d8s h THR 217 Ca 0.10 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.00 3d8s h THR 217 Cb 0.75 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3d8s h THR 217 CO 0.06 0.41 -0.31 0.00 0.37 0.00 0.00 175.52 176.05 3d8s h ALA 218 N 1.14 1.10 -0.98 6.16 0.00 -1.03 -2.63 119.26 123.03 3d8s h ALA 218 Ca 0.12 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3d8s h ALA 218 Cb 0.60 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3d8s h ALA 218 CO 0.04 0.56 0.65 -0.44 0.00 0.00 0.00 179.25 180.06 3d8s h ASP 219 N 0.35 1.12 -0.31 0.00 3.32 -0.52 -1.99 116.42 118.38 3d8s h ASP 219 Ca 0.05 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 3d8s h ASP 219 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3d8s h ASP 219 CO 0.05 0.80 -0.40 0.00 -1.72 0.00 0.00 179.24 177.98 3d8s h ALA 220 N 1.40 0.62 -0.43 3.45 0.00 -1.24 -1.22 119.26 121.83 3d8s h ALA 220 Ca 0.36 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3d8s h ALA 220 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3d8s h ALA 220 CO -0.08 0.67 0.28 -0.07 0.00 0.00 0.00 179.25 180.05 3d8s h LEU 221 N 0.71 0.47 -0.98 0.00 3.38 -1.31 -2.79 115.31 114.79 3d8s h LEU 221 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3d8s h LEU 221 Cb 0.98 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3d8s h LEU 221 CO 0.09 0.34 0.20 0.03 0.09 0.00 0.00 178.44 179.19 3d8s h ARG 222 N 0.56 0.94 -0.97 1.13 3.08 -1.13 -0.27 114.38 117.73 3d8s h ARG 222 Ca 0.16 -0.18 0.19 0.00 0.07 0.00 0.00 59.98 60.23 3d8s h ARG 222 Cb -0.04 -0.15 -0.09 0.00 0.08 0.00 0.00 29.97 29.77 3d8s h ARG 222 CO -0.05 0.80 0.61 1.49 -1.07 0.00 0.00 179.97 181.76 3d8s h GLU 223 N 0.91 0.62 -0.58 0.04 4.57 -1.04 -2.11 114.58 117.00 3d8s h GLU 223 Ca 0.21 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3d8s h GLU 223 Cb 0.25 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3d8s h GLU 223 CO -0.01 0.41 0.00 0.91 -1.18 0.00 0.00 179.01 179.14 3d8s n TRP 224 N -4.65 0.78 -0.82 0.92 7.02 -0.39 -4.93 117.44 115.37 3d8s n TRP 224 Ca 0.22 -0.39 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 3d8s n TRP 224 Cb 0.61 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 3d8s n TRP 224 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3d8s n GLY 225 N 1.45 0.50 3.71 6.99 0.00 -0.79 -4.84 105.19 112.21 3d8s n GLY 225 Ca 0.20 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3d8s n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d8s s VAL 226 N -2.00 5.24 -0.43 1.61 1.01 -0.25 -4.95 120.40 120.62 3d8s s VAL 226 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 3d8s s VAL 226 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3d8s s VAL 226 CO 0.00 0.45 0.86 -0.75 0.00 0.00 0.00 175.10 175.67 3d8s s LYS 227 N 0.29 3.58 0.30 2.72 2.20 -1.26 -3.13 119.74 124.45 3d8s s LYS 227 Ca 0.07 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 3d8s s LYS 227 Cb -0.11 -3.89 -0.13 0.00 -1.51 0.00 0.00 37.83 32.19 3d8s s LYS 227 CO -0.01 -1.09 1.35 -2.30 -0.36 0.00 0.00 175.35 172.93 3d8s n PRO 228 N 6.87 2.13 -0.03 4.03 -0.02 -1.26 -4.74 135.00 141.98 3d8s n PRO 228 Ca 0.05 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.14 3d8s n PRO 228 Cb 0.48 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 3d8s n PRO 228 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d8s h PHE 229 N 3.25 0.17 -3.82 6.00 3.57 -1.31 -3.46 116.94 121.33 3d8s h PHE 229 Ca -0.46 -0.07 -0.21 0.00 3.53 0.00 0.00 57.97 60.76 3d8s h PHE 229 Cb 1.28 -0.03 -0.26 0.00 2.79 0.00 0.00 35.95 39.74 3d8s h PHE 229 CO 0.53 0.75 -0.71 -0.47 -2.23 0.00 0.00 178.31 176.18 3d8s s TYR 230 N -3.62 0.11 -0.14 0.41 5.04 -1.17 -5.04 117.35 112.93 3d8s s TYR 230 Ca -0.16 -0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.28 3d8s s TYR 230 Cb 0.01 -0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.28 3d8s s TYR 230 CO 0.71 -0.07 -0.08 0.08 -1.34 0.00 0.00 175.55 174.86 3d8s s VAL 231 N -0.52 1.16 -0.06 3.14 1.01 -1.26 -1.63 120.40 122.24 3d8s s VAL 231 Ca -0.06 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3d8s s VAL 231 Cb -0.04 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3d8s s VAL 231 CO -0.00 0.27 0.43 -0.62 0.00 0.00 0.00 175.10 175.17 3d8s s ASP 232 N 1.63 6.73 0.00 3.32 2.15 -0.22 -4.89 116.67 125.39 3d8s s ASP 232 Ca 0.03 0.87 0.21 0.00 0.43 0.00 0.00 52.55 54.08 3d8s s ASP 232 Cb -0.14 -2.26 0.43 0.00 -0.30 0.00 0.00 42.92 40.65 3d8s s ASP 232 CO -0.08 0.17 1.37 -0.62 -0.17 0.00 0.00 175.17 175.84 3d8s n GLU 233 N 2.73 2.45 -0.06 4.34 -0.58 -1.26 0.45 120.64 128.72 3d8s n GLU 233 Ca -0.11 -2.26 0.00 0.00 -0.42 0.00 0.00 57.16 54.38 3d8s n GLU 233 Cb 0.52 -1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 29.75 3d8s n GLU 233 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3d8s n THR 234 N 1.37 0.71 -2.84 2.62 -2.24 -1.26 -4.94 114.28 107.69 3d8s n THR 234 Ca 0.19 -0.68 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 3d8s n THR 234 Cb 0.57 -0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.59 3d8s n THR 234 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d8s n GLU 235 N -2.51 -3.82 -4.32 -0.78 4.71 -1.26 -5.02 120.64 107.65 3d8s n GLU 235 Ca -0.19 0.75 -0.30 0.00 -0.01 0.00 0.00 57.16 57.42 3d8s n GLU 235 Cb 0.87 -5.26 -0.17 0.00 -1.01 0.00 0.00 31.44 25.87 3d8s n GLU 235 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3d8s s ARG 236 N -5.43 2.35 0.23 3.49 0.52 -1.26 -5.05 118.95 113.79 3d8s s ARG 236 Ca 0.23 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.76 3d8s s ARG 236 Cb -0.10 -2.04 0.22 0.00 0.52 0.00 0.00 34.95 33.55 3d8s s ARG 236 CO 0.28 -0.12 1.89 -0.07 0.02 0.00 0.00 175.30 177.30 3d8s h LEU 237 N 7.64 0.94 -1.63 2.53 3.38 -1.99 -0.62 115.31 125.56 3d8s h LEU 237 Ca -0.34 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.62 3d8s h LEU 237 Cb 1.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3d8s h LEU 237 CO 0.51 0.66 0.26 1.23 0.09 0.00 0.00 178.44 181.20 3d8s h GLY 238 N 1.10 0.54 1.43 0.83 0.00 -1.96 -1.45 103.07 103.56 3d8s h GLY 238 Ca 0.32 -0.20 -0.24 0.00 0.00 0.00 0.00 47.33 47.21 3d8s h GLY 238 CO -0.09 0.19 -1.00 0.23 0.00 0.00 0.00 176.54 175.87 3d8s h SER 239 N 0.51 0.66 -0.56 0.19 0.87 -1.59 -1.38 113.55 112.24 3d8s h SER 239 Ca 0.15 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 3d8s h SER 239 Cb -0.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 3d8s h SER 239 CO -0.03 1.34 0.30 0.25 -0.53 0.00 0.00 176.83 178.16 3d8s h LEU 240 N 0.28 0.72 -0.01 2.23 5.85 -0.72 -1.29 115.31 122.37 3d8s h LEU 240 Ca -0.10 -0.10 -0.26 0.00 0.84 0.00 0.00 57.88 58.25 3d8s h LEU 240 Cb 1.65 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.50 3d8s h LEU 240 CO 0.18 0.62 -1.11 -0.07 -0.34 0.00 0.00 178.44 177.71 3d8s h LEU 241 N 0.76 0.56 -0.72 2.25 3.38 -1.27 -0.38 115.31 119.89 3d8s h LEU 241 Ca 0.20 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 3d8s h LEU 241 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3d8s h LEU 241 CO -0.03 1.35 -0.19 1.56 0.09 0.00 0.00 178.44 181.22 3d8s h GLN 242 N 0.18 0.78 -0.35 1.13 1.08 -1.30 -0.80 115.11 115.82 3d8s h GLN 242 Ca -0.12 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 3d8s h GLN 242 Cb 1.79 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.16 3d8s h GLN 242 CO 0.19 0.91 0.09 0.78 -0.95 0.00 0.00 178.83 179.85 3d8s h GLY 243 N 0.97 0.61 0.92 3.46 0.00 -1.13 -1.24 103.07 106.67 3d8s h GLY 243 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3d8s h GLY 243 CO 0.05 0.35 -0.21 -2.75 0.00 0.00 0.00 176.54 173.99 3d8s h PHE 244 N 0.42 -0.54 -0.99 5.60 3.57 -1.02 -1.31 116.94 122.67 3d8s h PHE 244 Ca 0.11 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.84 3d8s h PHE 244 Cb 0.30 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.14 3d8s h PHE 244 CO 0.02 -0.33 0.64 -0.22 -2.23 0.00 0.00 178.31 176.18 3d8s h LYS 245 N -0.54 0.47 -0.08 1.11 3.64 -1.06 -1.84 116.57 118.28 3d8s h LYS 245 Ca -0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3d8s h LYS 245 Cb 0.44 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3d8s h LYS 245 CO 0.05 0.31 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.34 3d8s h ARG 246 N 0.48 0.21 0.00 1.90 9.65 -0.85 -3.31 114.38 122.46 3d8s h ARG 246 Ca 0.56 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.32 3d8s h ARG 246 Cb 1.27 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3d8s h ARG 246 CO -0.28 0.67 0.00 0.00 2.80 0.00 0.00 179.97 183.16 3d8s n ALA 247 N -2.41 1.65 0.24 2.80 0.00 -0.53 -4.45 120.51 117.81 3d8s n ALA 247 Ca -0.07 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.44 3d8s n ALA 247 Cb 0.34 -1.16 0.44 0.00 0.00 0.00 0.00 19.45 19.07 3d8s n ALA 247 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3d8s h LEU 248 N 0.00 0.00 -1.21 0.00 3.38 -1.65 -3.52 115.31 112.31 3d8s h LEU 248 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d8s h LEU 248 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3d8s h LEU 248 CO 0.00 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64