#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8t n MET 1 N 0.00 2.55 -3.33 1.09 2.81 -1.26 -4.75 117.12 114.23 3d8t n MET 1 Ca 0.00 0.92 -0.43 0.00 -1.81 0.00 0.00 57.70 56.38 3d8t n MET 1 Cb 0.00 -2.76 -0.08 0.00 -0.71 0.00 0.00 33.22 29.67 3d8t n MET 1 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3d8t s ARG 2 N 1.62 3.05 -0.30 0.03 0.52 -1.26 -1.01 118.95 121.60 3d8t s ARG 2 Ca 0.79 -0.97 -0.06 0.00 -0.52 0.00 0.00 55.73 54.96 3d8t s ARG 2 Cb -0.57 -4.04 0.02 0.00 0.52 0.00 0.00 34.95 30.89 3d8t s ARG 2 CO 0.36 -0.95 0.08 0.42 0.02 0.00 0.00 175.30 175.23 3d8t s ILE 3 N 2.03 3.87 0.15 1.52 1.01 -0.00 -0.49 121.20 129.29 3d8t s ILE 3 Ca 0.09 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 3d8t s ILE 3 Cb -0.20 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 3d8t s ILE 3 CO 0.11 0.03 0.73 0.00 0.00 0.00 0.00 174.94 175.81 3d8t s ALA 4 N 1.47 3.48 -0.14 9.38 0.00 0.10 -0.70 121.76 135.34 3d8t s ALA 4 Ca 0.02 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3d8t s ALA 4 Cb -0.18 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 3d8t s ALA 4 CO 0.02 0.32 -0.16 -0.47 0.00 0.00 0.00 175.76 175.47 3d8t s TYR 5 N -1.19 2.75 -2.81 0.00 6.14 0.69 -0.37 117.35 122.57 3d8t s TYR 5 Ca 0.35 -1.00 0.24 0.00 0.64 0.00 0.00 57.07 57.30 3d8t s TYR 5 Cb -0.22 -1.86 0.32 0.00 0.42 0.00 0.00 41.96 40.63 3d8t s TYR 5 CO 0.24 -0.44 1.34 0.00 0.64 0.00 0.00 175.55 177.33 3d8t n ALA 6 N 3.92 2.46 -1.81 3.97 0.00 -0.55 -0.92 120.51 127.57 3d8t n ALA 6 Ca -0.19 -0.76 -0.32 0.00 0.00 0.00 0.00 53.44 52.18 3d8t n ALA 6 Cb 0.52 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 3d8t n ALA 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d8t s GLY 7 N -1.84 1.86 -0.03 0.00 0.00 -1.26 -3.56 107.32 102.48 3d8t s GLY 7 Ca 0.32 0.07 0.12 0.00 0.00 0.00 0.00 44.72 45.23 3d8t s GLY 7 CO 0.31 0.35 0.70 -2.00 0.00 0.00 0.00 173.10 172.46 3d8t h LEU 8 N 0.19 0.01 -9.86 0.66 5.85 -1.94 -3.42 115.31 106.81 3d8t h LEU 8 Ca -0.45 -0.03 -0.53 0.00 0.84 0.00 0.00 57.88 57.71 3d8t h LEU 8 Cb 1.19 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 3d8t h LEU 8 CO 0.61 1.03 -0.52 -0.13 -0.34 0.00 0.00 178.44 179.08 3d8t s ARG 9 N -2.60 2.49 -1.80 1.25 0.52 -1.26 -4.62 118.95 112.93 3d8t s ARG 9 Ca -0.05 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 3d8t s ARG 9 Cb 0.08 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.28 3d8t s ARG 9 CO 0.82 0.14 0.00 0.54 0.02 0.00 0.00 175.30 176.82 3d8t n ARG 10 N -1.19 -1.38 -0.36 3.54 1.74 -1.26 -4.91 116.66 112.83 3d8t n ARG 10 Ca -0.03 1.04 0.02 0.00 -0.77 0.00 0.00 57.85 58.10 3d8t n ARG 10 Cb 0.61 -5.44 0.16 0.00 -1.02 0.00 0.00 32.46 26.77 3d8t n ARG 10 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3d8t h LYS 11 N 0.00 1.15 -0.13 5.56 1.57 -1.90 -0.53 116.57 122.28 3d8t h LYS 11 Ca -0.41 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.08 3d8t h LYS 11 Cb 1.27 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 33.33 3d8t h LYS 11 CO 0.54 0.76 -0.80 0.93 -0.57 0.00 0.00 179.45 180.31 3d8t h GLU 12 N 1.18 0.75 -0.74 3.15 4.39 -1.98 -2.19 114.58 119.14 3d8t h GLU 12 Ca 0.42 -0.63 0.01 0.00 0.34 0.00 0.00 59.36 59.50 3d8t h GLU 12 Cb 0.12 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3d8t h GLU 12 CO -0.16 1.23 0.49 1.49 -1.16 0.00 0.00 179.01 180.91 3d8t h GLU 13 N 0.50 0.98 0.04 2.33 4.81 -1.89 0.86 114.58 122.21 3d8t h GLU 13 Ca -0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3d8t h GLU 13 Cb 1.42 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3d8t h GLU 13 CO 0.16 0.65 -0.05 0.35 -0.73 0.00 0.00 179.01 179.39 3d8t h PHE 14 N 1.01 -0.12 -0.73 0.92 3.57 -1.03 0.15 116.94 120.70 3d8t h PHE 14 Ca 0.27 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3d8t h PHE 14 Cb -0.12 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 3d8t h PHE 14 CO -0.02 -0.07 0.46 0.87 -2.23 0.00 0.00 178.31 177.32 3d8t h LYS 15 N -0.10 0.87 -0.43 1.11 1.57 -1.12 0.08 116.57 118.55 3d8t h LYS 15 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3d8t h LYS 15 Cb 0.10 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3d8t h LYS 15 CO -0.02 0.57 0.23 0.00 -0.57 0.00 0.00 179.45 179.66 3d8t h ALA 16 N 1.32 0.54 -0.63 3.86 0.00 -0.44 -1.27 119.26 122.62 3d8t h ALA 16 Ca 0.30 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3d8t h ALA 16 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3d8t h ALA 16 CO -0.12 -0.12 0.18 -0.07 0.00 0.00 0.00 179.25 179.12 3d8t h LEU 17 N 0.45 0.91 -0.26 0.00 3.38 -0.25 -1.97 115.31 117.58 3d8t h LEU 17 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d8t h LEU 17 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3d8t h LEU 17 CO -0.11 0.87 0.15 0.00 0.09 0.00 0.00 178.44 179.43 3d8t h ALA 18 N 1.25 0.33 0.00 1.53 0.00 -0.71 -0.84 119.26 120.81 3d8t h ALA 18 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3d8t h ALA 18 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3d8t h ALA 18 CO -0.00 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.48 3d8t n GLU 19 N -4.86 0.52 -0.10 0.00 1.02 -0.51 -1.09 120.64 115.63 3d8t n GLU 19 Ca -0.02 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 3d8t n GLU 19 Cb 0.07 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 3d8t n GLU 19 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3d8t n LYS 20 N -1.19 0.77 -0.19 3.49 4.81 -0.76 -4.48 118.16 120.62 3d8t n LYS 20 Ca 0.15 -0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 3d8t n LYS 20 Cb 0.16 -1.51 0.19 0.00 0.02 0.00 0.00 35.03 33.89 3d8t n LYS 20 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3d8t n LEU 21 N -2.76 3.14 -3.25 3.14 4.77 -0.35 -5.00 117.00 116.69 3d8t n LEU 21 Ca -0.33 -1.66 -0.13 0.00 -0.03 0.00 0.00 56.01 53.86 3d8t n LEU 21 Cb 1.13 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 3d8t n LEU 21 CO 0.41 0.72 0.09 0.61 -1.33 0.00 0.00 177.39 177.89 3d8t n GLY 22 N 1.08 -1.17 3.29 -0.72 0.00 -0.38 -4.99 105.19 102.29 3d8t n GLY 22 Ca 0.16 0.55 -0.19 0.00 0.00 0.00 0.00 46.02 46.55 3d8t n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d8t s PHE 23 N -3.30 1.56 -0.30 1.61 2.99 -0.25 -3.35 117.98 116.94 3d8t s PHE 23 Ca 0.35 -0.56 -0.14 0.00 0.00 0.00 0.00 56.93 56.58 3d8t s PHE 23 Cb -0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 43.02 42.16 3d8t s PHE 23 CO 0.75 0.23 0.32 0.99 -0.00 0.00 0.00 175.22 177.52 3d8t s THR 24 N -2.46 5.21 0.14 0.64 2.01 -0.18 -4.18 115.64 116.82 3d8t s THR 24 Ca 0.15 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 3d8t s THR 24 Cb -0.03 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 3d8t s THR 24 CO 0.04 0.09 0.70 -2.16 -0.69 0.00 0.00 174.62 172.61 3d8t s PRO 25 N 1.97 4.41 -0.02 4.92 0.04 -1.26 -0.82 135.00 144.24 3d8t s PRO 25 Ca 0.12 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.19 3d8t s PRO 25 Cb -0.16 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 3d8t s PRO 25 CO 0.11 0.58 -0.17 -0.51 0.04 0.00 0.00 177.00 177.05 3d8t s LEU 26 N -1.22 2.01 -0.26 -3.56 1.43 0.12 -4.90 118.68 112.31 3d8t s LEU 26 Ca 0.34 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3d8t s LEU 26 Cb -0.21 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3d8t s LEU 26 CO 0.23 0.20 0.06 -0.76 0.23 0.00 0.00 176.35 176.31 3d8t s LEU 27 N -0.32 3.47 -0.40 1.79 1.43 -1.26 -0.22 118.68 123.16 3d8t s LEU 27 Ca 0.05 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3d8t s LEU 27 Cb -0.07 -1.89 0.21 0.00 0.03 0.00 0.00 46.19 44.47 3d8t s LEU 27 CO -0.00 -0.07 0.43 0.49 0.23 0.00 0.00 176.35 177.42 3d8t n PHE 28 N 4.90 -0.65 -2.15 0.29 3.01 -0.10 -4.93 117.46 117.83 3d8t n PHE 28 Ca -0.16 -3.43 -0.36 0.00 1.01 0.00 0.00 57.45 54.51 3d8t n PHE 28 Cb 0.50 -0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.95 3d8t n PHE 28 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3d8t s PRO 29 N -0.54 3.36 0.00 -1.08 0.04 -1.26 -4.18 135.00 131.33 3d8t s PRO 29 Ca 0.34 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3d8t s PRO 29 Cb 0.10 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3d8t s PRO 29 CO -0.16 -0.89 0.44 1.33 0.04 0.00 0.00 177.00 177.77 3d8t n VAL 30 N -1.10 0.02 -4.50 -0.36 0.24 -1.23 -4.32 118.33 107.07 3d8t n VAL 30 Ca 0.11 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.34 61.66 3d8t n VAL 30 Cb 0.49 1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.88 3d8t n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d8t s GLN 31 N -0.02 2.32 -0.14 7.34 -2.07 -1.26 -1.07 119.66 124.76 3d8t s GLN 31 Ca 0.00 -0.86 -0.17 0.00 -1.82 0.00 0.00 55.36 52.51 3d8t s GLN 31 Cb 0.00 -2.36 -0.25 0.00 -1.09 0.00 0.00 33.01 29.31 3d8t s GLN 31 CO 0.00 0.57 0.46 0.00 -1.32 0.00 0.00 175.29 174.99 3d8t h ALA 32 N 4.39 0.22 -2.22 2.60 0.00 -0.76 -3.41 119.26 120.08 3d8t h ALA 32 Ca -0.48 -1.11 -0.36 0.00 0.00 0.00 0.00 54.91 52.96 3d8t h ALA 32 Cb 1.16 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 19.35 3d8t h ALA 32 CO 0.51 0.78 -0.72 0.95 0.00 0.00 0.00 179.25 180.78 3d8t s THR 33 N -2.43 1.32 -0.10 0.00 -4.23 -1.19 -4.97 115.64 104.04 3d8t s THR 33 Ca -0.23 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.17 3d8t s THR 33 Cb 0.04 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.99 3d8t s THR 33 CO 0.71 -0.69 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.38 3d8t s GLU 34 N -3.72 0.93 -1.32 3.99 2.12 -1.26 -3.25 118.70 116.18 3d8t s GLU 34 Ca 0.19 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 3d8t s GLU 34 Cb 0.02 -1.28 0.02 0.00 0.26 0.00 0.00 34.13 33.14 3d8t s GLU 34 CO 0.03 -0.32 0.90 1.17 -0.54 0.00 0.00 175.26 176.49 3d8t n LYS 35 N 5.07 -5.92 -2.38 4.30 4.81 -1.06 -4.95 118.16 118.03 3d8t n LYS 35 Ca -0.09 0.71 -0.42 0.00 -0.87 0.00 0.00 58.31 57.64 3d8t n LYS 35 Cb 0.50 -5.52 -0.03 0.00 0.02 0.00 0.00 35.03 30.00 3d8t n LYS 35 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3d8t s VAL 36 N -3.48 3.98 0.47 3.15 1.01 -0.00 -4.71 120.40 120.82 3d8t s VAL 36 Ca 0.19 1.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 3d8t s VAL 36 Cb -0.09 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3d8t s VAL 36 CO 0.78 0.07 1.06 -2.65 0.00 0.00 0.00 175.10 174.35 3d8t n PRO 37 N 4.44 1.37 -3.40 2.72 -0.02 -1.26 0.25 135.00 139.10 3d8t n PRO 37 Ca 0.10 0.50 -0.44 0.00 -2.02 0.00 0.00 63.50 61.63 3d8t n PRO 37 Cb 0.46 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 3d8t n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d8t s VAL 38 N -1.32 5.21 0.53 -1.45 1.01 -0.62 -4.73 120.40 119.02 3d8t s VAL 38 Ca 0.66 -1.06 0.25 0.00 0.00 0.00 0.00 61.98 61.82 3d8t s VAL 38 Cb -0.51 -4.11 0.38 0.00 0.00 0.00 0.00 36.38 32.15 3d8t s VAL 38 CO 0.55 -0.57 2.01 -0.65 0.00 0.00 0.00 175.10 176.44 3d8t h PRO 39 N 8.74 0.00 -0.05 2.72 0.11 -1.92 -2.22 132.00 139.37 3d8t h PRO 39 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3d8t h PRO 39 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3d8t h PRO 39 CO 0.87 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 3d8t n GLU 40 N -4.36 1.30 -0.18 1.05 4.71 -1.26 -4.22 120.64 117.68 3d8t n GLU 40 Ca 0.08 -0.44 -0.05 0.00 -0.01 0.00 0.00 57.16 56.74 3d8t n GLU 40 Cb 0.54 -1.38 0.05 0.00 -1.01 0.00 0.00 31.44 29.64 3d8t n GLU 40 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 3d8t h TYR 41 N 0.94 0.56 -0.44 -0.32 -0.00 -1.64 -1.05 116.97 115.02 3d8t h TYR 41 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.70 3d8t h TYR 41 Cb 0.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 36.73 36.74 3d8t h TYR 41 CO 0.03 0.30 0.08 0.00 -0.00 0.00 0.00 178.16 178.57 3d8t h ARG 42 N 0.59 0.67 -0.85 1.82 3.08 -1.84 -0.93 114.38 116.92 3d8t h ARG 42 Ca 0.22 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3d8t h ARG 42 Cb 0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3d8t h ARG 42 CO -0.12 0.63 0.41 -0.44 -1.07 0.00 0.00 179.97 179.38 3d8t h ASP 43 N 0.64 1.10 -0.56 7.04 3.32 -1.64 -0.35 116.42 125.97 3d8t h ASP 43 Ca 0.14 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3d8t h ASP 43 Cb 0.29 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3d8t h ASP 43 CO 0.00 0.93 0.27 1.56 -1.72 0.00 0.00 179.24 180.28 3d8t h GLN 44 N 1.20 0.80 -0.50 3.56 4.20 0.03 -0.66 115.11 123.75 3d8t h GLN 44 Ca 0.29 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 3d8t h GLN 44 Cb 0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3d8t h GLN 44 CO -0.04 0.65 -0.13 0.28 -0.67 0.00 0.00 178.83 178.92 3d8t h VAL 45 N 0.76 1.27 -0.98 -0.54 2.07 -0.91 -0.91 116.25 117.00 3d8t h VAL 45 Ca 0.19 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.48 3d8t h VAL 45 Cb 0.11 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3d8t h VAL 45 CO -0.02 0.45 0.64 0.03 0.02 0.00 0.00 177.57 178.68 3d8t h ARG 46 N 0.83 1.17 -0.59 1.57 3.08 -0.83 -2.06 114.38 117.55 3d8t h ARG 46 Ca 0.12 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3d8t h ARG 46 Cb 0.70 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3d8t h ARG 46 CO 0.05 0.78 -0.04 1.49 -1.07 0.00 0.00 179.97 181.18 3d8t h GLU 47 N 1.21 1.07 -0.98 0.04 4.81 -0.40 -2.50 114.58 117.82 3d8t h GLU 47 Ca 0.40 -0.36 0.14 0.00 -0.13 0.00 0.00 59.36 59.41 3d8t h GLU 47 Cb 0.06 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.26 3d8t h GLU 47 CO -0.13 1.06 0.62 1.25 -0.73 0.00 0.00 179.01 181.08 3d8t h LEU 48 N 0.96 0.83 -1.21 1.64 5.85 -0.71 -1.32 115.31 121.35 3d8t h LEU 48 Ca 0.16 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3d8t h LEU 48 Cb 0.60 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3d8t h LEU 48 CO 0.04 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 3d8t h ALA 49 N 1.58 1.00 0.00 1.25 0.00 -0.91 -1.94 119.26 120.24 3d8t h ALA 49 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3d8t h ALA 49 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3d8t h ALA 49 CO -0.28 0.00 0.00 1.96 0.00 0.00 0.00 179.25 180.93 3d8t h GLN 50 N 0.00 0.00 0.00 0.00 4.20 -1.24 -3.46 115.11 114.61 3d8t h GLN 50 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d8t h GLN 50 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3d8t h GLN 50 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 3d8t n GLY 51 N 0.55 3.16 3.08 3.46 0.00 -0.73 -5.08 105.19 109.63 3d8t n GLY 51 Ca 0.03 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 3d8t n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d8t s VAL 52 N -1.15 0.24 0.03 1.61 -7.23 -1.26 -4.91 120.40 107.73 3d8t s VAL 52 Ca 0.00 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3d8t s VAL 52 Cb 0.00 -1.38 -0.27 0.00 0.56 0.00 0.00 36.38 35.29 3d8t s VAL 52 CO 0.00 -0.93 0.97 0.44 -0.31 0.00 0.00 175.10 175.26 3d8t h ASP 53 N 3.32 0.34 -4.55 4.85 3.32 -1.49 -3.39 116.42 118.82 3d8t h ASP 53 Ca -0.34 -0.43 -0.27 0.00 0.02 0.00 0.00 57.03 56.01 3d8t h ASP 53 Cb 1.15 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 3d8t h ASP 53 CO 0.63 1.35 -0.73 -0.22 -1.72 0.00 0.00 179.24 178.55 3d8t s LEU 54 N -6.94 2.19 -0.06 1.55 0.20 -0.81 -1.45 118.68 113.36 3d8t s LEU 54 Ca -0.06 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.35 3d8t s LEU 54 Cb 0.07 -0.14 0.02 0.00 -0.43 0.00 0.00 46.19 45.71 3d8t s LEU 54 CO 0.86 -0.15 -0.06 0.12 -0.29 0.00 0.00 176.35 176.83 3d8t s PHE 55 N -1.04 0.99 -0.16 5.38 5.36 0.38 -0.85 117.98 128.04 3d8t s PHE 55 Ca -0.08 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.56 3d8t s PHE 55 Cb -0.08 -0.85 0.02 0.00 -0.34 0.00 0.00 43.02 41.77 3d8t s PHE 55 CO 0.00 -0.28 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.12 3d8t s LEU 56 N 1.13 2.02 -0.13 6.12 0.20 -0.12 -0.30 118.68 127.60 3d8t s LEU 56 Ca -0.07 -0.60 -0.07 0.00 0.69 0.00 0.00 54.13 54.08 3d8t s LEU 56 Cb -0.14 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 3d8t s LEU 56 CO -0.01 0.01 0.13 0.00 -0.29 0.00 0.00 176.35 176.18 3d8t s ALA 57 N 1.21 3.81 -0.09 5.97 0.00 0.11 -0.79 121.76 131.97 3d8t s ALA 57 Ca 0.02 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.37 3d8t s ALA 57 Cb -0.14 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.93 3d8t s ALA 57 CO -0.10 0.55 -0.01 0.25 0.00 0.00 0.00 175.76 176.46 3d8t n THR 58 N 2.20 0.61 -4.13 0.00 -2.24 -1.23 -0.56 114.28 108.94 3d8t n THR 58 Ca -0.19 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 3d8t n THR 58 Cb 0.54 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.86 3d8t n THR 58 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d8t s THR 59 N -2.21 0.75 0.06 4.28 -4.23 -1.26 -4.58 115.64 108.44 3d8t s THR 59 Ca -0.08 -1.41 -0.27 0.00 -1.18 0.00 0.00 61.69 58.76 3d8t s THR 59 Cb 0.03 -1.06 -0.17 0.00 1.34 0.00 0.00 72.50 72.64 3d8t s THR 59 CO 0.32 -0.50 1.56 1.23 -0.54 0.00 0.00 174.62 176.69 3d8t h GLY 60 N 3.95 -0.41 1.20 3.99 0.00 -1.87 -1.86 103.07 108.07 3d8t h GLY 60 Ca -0.37 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3d8t h GLY 60 CO 0.48 -0.15 0.49 -0.24 0.00 0.00 0.00 176.54 177.12 3d8t h VAL 61 N -0.50 1.22 -0.40 4.60 3.04 -1.97 -0.92 116.25 121.31 3d8t h VAL 61 Ca -0.04 -0.45 -0.12 0.00 -1.01 0.00 0.00 66.70 65.08 3d8t h VAL 61 Cb 0.38 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 3d8t h VAL 61 CO 0.07 0.22 -0.23 1.23 -1.01 0.00 0.00 177.57 177.85 3d8t h GLY 62 N 1.10 0.87 0.74 3.17 0.00 -1.91 0.20 103.07 107.25 3d8t h GLY 62 Ca 0.29 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3d8t h GLY 62 CO -0.06 0.68 0.00 -2.08 0.00 0.00 0.00 176.54 175.09 3d8t h VAL 63 N 0.70 1.23 -0.51 4.60 2.07 -0.72 -0.14 116.25 123.48 3d8t h VAL 63 Ca 0.09 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3d8t h VAL 63 Cb 0.75 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3d8t h VAL 63 CO 0.06 0.19 0.25 0.03 0.02 0.00 0.00 177.57 178.12 3d8t h ARG 64 N -0.18 0.46 -0.33 1.57 3.08 -0.96 -0.21 114.38 117.81 3d8t h ARG 64 Ca 0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3d8t h ARG 64 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3d8t h ARG 64 CO 0.00 0.31 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.49 3d8t h ASP 65 N 0.48 0.70 0.04 7.04 3.32 -0.90 -1.34 116.42 125.76 3d8t h ASP 65 Ca 0.23 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3d8t h ASP 65 Cb 0.15 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3d8t h ASP 65 CO -0.17 0.95 -0.02 0.25 -1.72 0.00 0.00 179.24 178.53 3d8t h LEU 66 N 0.59 -0.04 -0.93 1.55 5.85 -0.35 -0.26 115.31 121.71 3d8t h LEU 66 Ca 0.07 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3d8t h LEU 66 Cb 0.78 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3d8t h LEU 66 CO 0.06 0.07 0.26 -0.07 -0.34 0.00 0.00 178.44 178.43 3d8t h LEU 67 N -0.15 0.96 -0.30 2.25 3.38 -0.91 -1.42 115.31 119.11 3d8t h LEU 67 Ca -0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3d8t h LEU 67 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3d8t h LEU 67 CO 0.01 0.86 0.01 -0.08 0.09 0.00 0.00 178.44 179.33 3d8t h GLU 68 N 1.01 0.52 -0.71 1.13 4.57 -1.12 -2.61 114.58 117.38 3d8t h GLU 68 Ca 0.23 -0.16 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 3d8t h GLU 68 Cb 0.22 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 3d8t h GLU 68 CO -0.02 0.66 0.38 0.00 -1.18 0.00 0.00 179.01 178.85 3d8t h ALA 69 N 0.84 0.96 -0.35 2.92 0.00 -0.68 0.14 119.26 123.09 3d8t h ALA 69 Ca 0.09 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3d8t h ALA 69 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3d8t h ALA 69 CO 0.01 0.01 0.20 0.78 0.00 0.00 0.00 179.25 180.25 3d8t h GLY 70 N 0.66 0.48 1.01 0.00 0.00 -1.09 0.06 103.07 104.18 3d8t h GLY 70 Ca 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 3d8t h GLY 70 CO -0.23 0.13 0.28 0.50 0.00 0.00 0.00 176.54 177.22 3d8t h LYS 71 N 0.40 0.98 -0.41 4.80 1.57 -1.02 -0.56 116.57 122.33 3d8t h LYS 71 Ca 0.14 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3d8t h LYS 71 Cb 0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3d8t h LYS 71 CO -0.07 0.80 0.10 0.00 -0.57 0.00 0.00 179.45 179.71 3d8t h ALA 72 N 1.13 1.41 0.00 3.86 0.00 -0.14 -1.58 119.26 123.93 3d8t h ALA 72 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d8t h ALA 72 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d8t h ALA 72 CO -0.02 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3d8t n LEU 73 N -4.32 0.00 -0.45 0.00 4.77 -0.05 -4.91 117.00 112.04 3d8t n LEU 73 Ca 0.03 0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 56.08 3d8t n LEU 73 Cb 0.20 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3d8t n LEU 73 CO 0.38 -0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 176.99 3d8t n GLY 74 N 1.00 0.46 3.90 -0.72 0.00 -0.59 -5.03 105.19 104.21 3d8t n GLY 74 Ca 0.19 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 3d8t n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d8t s LEU 75 N -1.21 4.22 -0.58 0.99 1.43 -0.25 -5.04 118.68 118.25 3d8t s LEU 75 Ca 0.00 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 3d8t s LEU 75 Cb 0.00 -2.81 0.12 0.00 0.03 0.00 0.00 46.19 43.53 3d8t s LEU 75 CO 0.00 0.10 0.61 -0.62 0.23 0.00 0.00 176.35 176.67 3d8t s ASP 76 N -2.94 6.21 -0.04 2.29 2.15 -1.26 -4.16 116.67 118.93 3d8t s ASP 76 Ca 0.34 -1.65 0.15 0.00 0.43 0.00 0.00 52.55 51.81 3d8t s ASP 76 Cb -0.12 -2.26 -0.21 0.00 -0.30 0.00 0.00 42.92 40.04 3d8t s ASP 76 CO 0.27 -0.98 0.62 0.18 -0.17 0.00 0.00 175.17 175.09 3d8t n LEU 77 N 5.75 0.72 -0.36 -1.34 4.77 -1.26 -4.38 117.00 120.89 3d8t n LEU 77 Ca -0.11 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 3d8t n LEU 77 Cb 0.41 0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.79 3d8t n LEU 77 CO 0.56 0.32 1.28 -0.33 -1.33 0.00 0.00 177.39 177.89 3d8t h GLU 78 N 0.00 1.27 0.62 3.23 5.08 -1.98 -0.51 114.58 122.29 3d8t h GLU 78 Ca -0.28 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3d8t h GLU 78 Cb 1.90 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 30.87 3d8t h GLU 78 CO 0.06 0.84 -0.30 0.78 -1.00 0.00 0.00 179.01 179.39 3d8t h GLY 79 N 1.31 -0.87 1.20 -3.84 0.00 -1.99 0.22 103.07 99.09 3d8t h GLY 79 Ca 0.36 0.32 -0.00 0.00 0.00 0.00 0.00 47.33 48.00 3d8t h GLY 79 CO -0.08 -0.32 0.47 -2.55 0.00 0.00 0.00 176.54 174.06 3d8t h PRO 80 N -0.95 1.06 -0.06 4.80 0.11 -1.76 -2.68 132.00 132.52 3d8t h PRO 80 Ca -0.09 -0.09 -0.14 0.00 0.11 0.00 0.00 66.00 65.79 3d8t h PRO 80 Cb 0.68 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3d8t h PRO 80 CO 0.14 0.75 -0.61 -0.07 -0.21 0.00 0.00 178.00 178.00 3d8t h LEU 81 N 1.08 0.22 -1.57 2.35 3.38 -0.96 -2.45 115.31 117.36 3d8t h LEU 81 Ca 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3d8t h LEU 81 Cb -0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3d8t h LEU 81 CO -0.05 0.78 0.22 0.00 0.09 0.00 0.00 178.44 179.47 3d8t h ALA 82 N 1.22 1.68 0.00 1.53 0.00 -0.63 -2.83 119.26 120.23 3d8t h ALA 82 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3d8t h ALA 82 Cb 1.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3d8t h ALA 82 CO 0.09 0.28 -0.44 0.87 0.00 0.00 0.00 179.25 180.05 3d8t h LYS 83 N 0.51 0.00 -7.24 0.00 1.57 -1.19 -3.47 116.57 106.75 3d8t h LYS 83 Ca 0.14 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.42 3d8t h LYS 83 Cb -0.00 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.36 3d8t h LYS 83 CO -0.02 0.44 0.38 0.00 -0.57 0.00 0.00 179.45 179.68 3d8t s ALA 84 N -2.99 2.87 -0.06 3.86 0.00 -0.95 -5.01 121.76 119.47 3d8t s ALA 84 Ca 0.04 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 3d8t s ALA 84 Cb 0.07 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3d8t s ALA 84 CO 0.74 -0.68 1.00 0.12 0.00 0.00 0.00 175.76 176.94 3d8t s PHE 85 N -2.68 3.56 -0.11 0.00 5.36 -0.53 -4.88 117.98 118.70 3d8t s PHE 85 Ca 0.60 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 58.21 3d8t s PHE 85 Cb -0.13 -3.17 -0.01 0.00 -0.34 0.00 0.00 43.02 39.37 3d8t s PHE 85 CO 0.40 -0.18 -0.17 1.03 -1.46 0.00 0.00 175.22 174.84 3d8t s ARG 86 N 1.63 3.15 0.14 10.12 0.52 -1.26 -0.47 118.95 132.78 3d8t s ARG 86 Ca 0.50 -0.76 0.11 0.00 -0.52 0.00 0.00 55.73 55.06 3d8t s ARG 86 Cb -0.20 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3d8t s ARG 86 CO 0.22 0.25 -0.24 -0.51 0.02 0.00 0.00 175.30 175.04 3d8t s LEU 87 N 0.21 2.43 -0.09 2.53 1.02 0.59 -0.17 118.68 125.19 3d8t s LEU 87 Ca -0.11 -0.72 0.03 0.00 0.02 0.00 0.00 54.13 53.35 3d8t s LEU 87 Cb -0.16 -1.29 0.01 0.00 0.02 0.00 0.00 46.19 44.77 3d8t s LEU 87 CO 0.06 0.17 -0.17 0.00 0.02 0.00 0.00 176.35 176.43 3d8t s ALA 88 N -1.18 1.74 0.33 4.21 0.00 -0.21 -0.71 121.76 125.94 3d8t s ALA 88 Ca 0.16 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.42 3d8t s ALA 88 Cb -0.10 -0.75 0.57 0.00 0.00 0.00 0.00 23.12 22.83 3d8t s ALA 88 CO 0.08 0.10 1.86 -0.09 0.00 0.00 0.00 175.76 177.70 3d8t h ARG 89 N 7.06 0.56 0.00 0.00 2.43 -1.10 0.04 114.38 123.36 3d8t h ARG 89 Ca -0.27 -0.12 -0.16 0.00 -0.81 0.00 0.00 59.98 58.62 3d8t h ARG 89 Cb 1.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3d8t h ARG 89 CO 0.48 0.58 -0.03 0.41 -1.51 0.00 0.00 179.97 179.91 3d8t n GLY 90 N -0.84 2.12 0.26 2.80 0.00 -1.26 -0.79 105.19 107.47 3d8t n GLY 90 Ca 0.02 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 3d8t n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8t h ALA 91 N 1.90 1.14 -0.32 4.61 0.00 -1.90 -1.18 119.26 123.51 3d8t h ALA 91 Ca -0.21 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3d8t h ALA 91 Cb 0.86 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3d8t h ALA 91 CO 0.27 0.54 -0.51 0.87 0.00 0.00 0.00 179.25 180.42 3d8t h LYS 92 N 0.54 0.90 -0.61 0.00 1.57 -1.97 -0.26 116.57 116.74 3d8t h LYS 92 Ca 0.09 -0.55 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 3d8t h LYS 92 Cb 0.55 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3d8t h LYS 92 CO 0.03 1.19 0.13 0.00 -0.57 0.00 0.00 179.45 180.23 3d8t h ALA 93 N 0.71 0.80 -0.36 3.86 0.00 -1.73 -2.15 119.26 120.39 3d8t h ALA 93 Ca 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3d8t h ALA 93 Cb 1.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3d8t h ALA 93 CO 0.12 0.53 0.21 0.00 0.00 0.00 0.00 179.25 180.11 3d8t h ALA 94 N 1.03 0.45 -0.72 0.00 0.00 -0.98 -1.85 119.26 117.18 3d8t h ALA 94 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3d8t h ALA 94 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3d8t h ALA 94 CO 0.01 -0.13 0.18 -0.09 0.00 0.00 0.00 179.25 179.22 3d8t h ARG 95 N 0.44 1.15 -0.53 0.00 9.65 -0.91 0.12 114.38 124.29 3d8t h ARG 95 Ca 0.14 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 3d8t h ARG 95 Cb -0.01 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 3d8t h ARG 95 CO -0.06 1.00 0.31 0.00 2.80 0.00 0.00 179.97 184.02 3d8t h ALA 96 N 1.10 0.68 -0.23 2.80 0.00 -1.16 0.63 119.26 123.07 3d8t h ALA 96 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3d8t h ALA 96 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3d8t h ALA 96 CO 0.00 0.18 0.15 -0.07 0.00 0.00 0.00 179.25 179.51 3d8t h LEU 97 N 0.71 0.27 -0.55 0.00 3.38 -0.91 -2.77 115.31 115.43 3d8t h LEU 97 Ca 0.19 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3d8t h LEU 97 Cb 0.02 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3d8t h LEU 97 CO -0.03 0.20 0.24 0.50 0.09 0.00 0.00 178.44 179.43 3d8t h LYS 98 N 0.31 0.43 0.00 1.13 1.63 -0.36 0.50 116.57 120.21 3d8t h LYS 98 Ca 0.08 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3d8t h LYS 98 Cb -0.03 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3d8t h LYS 98 CO -0.02 0.29 -0.03 0.93 -3.45 0.00 0.00 179.45 177.16 3d8t h GLU 99 N 0.44 0.00 -0.01 1.90 5.08 -0.71 -0.45 114.58 120.83 3d8t h GLU 99 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3d8t h GLU 99 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3d8t h GLU 99 CO -0.23 0.03 -0.01 0.00 -1.00 0.00 0.00 179.01 177.80 3d8t n ALA 100 N -2.44 2.63 -1.17 3.43 0.00 -0.70 -4.90 120.51 117.35 3d8t n ALA 100 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3d8t n ALA 100 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3d8t n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d8t n GLY 101 N 1.13 0.38 2.51 0.00 0.00 -0.18 -4.96 105.19 104.07 3d8t n GLY 101 Ca 0.20 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 3d8t n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d8t n LEU 102 N 0.00 3.34 -4.74 0.99 4.77 0.08 -5.01 117.00 116.43 3d8t n LEU 102 Ca 0.00 -4.41 -0.40 0.00 -0.03 0.00 0.00 56.01 51.16 3d8t n LEU 102 Cb 0.09 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3d8t n LEU 102 CO 0.00 1.86 1.00 -0.81 -1.33 0.00 0.00 177.39 178.12 3d8t n PRO 103 N -0.39 2.14 -1.95 3.23 -0.04 -1.23 -4.36 135.00 132.39 3d8t n PRO 103 Ca 0.26 0.76 -0.36 0.00 -0.04 0.00 0.00 63.50 64.13 3d8t n PRO 103 Cb 0.77 -2.54 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 3d8t n PRO 103 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3d8t s PRO 104 N -2.35 2.88 0.38 0.54 0.04 -1.26 -4.92 135.00 130.31 3d8t s PRO 104 Ca 0.61 1.87 0.21 0.00 0.04 0.00 0.00 61.00 63.72 3d8t s PRO 104 Cb -0.47 -1.91 0.44 0.00 0.04 0.00 0.00 34.50 32.59 3d8t s PRO 104 CO 0.58 -1.29 1.62 0.45 0.04 0.00 0.00 177.00 178.40 3d8t h HIS 105 N 0.80 0.00 -3.26 0.56 3.86 -0.91 -3.46 115.15 112.75 3d8t h HIS 105 Ca -0.50 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.51 3d8t h HIS 105 Cb 1.31 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 29.50 3d8t h HIS 105 CO 0.46 0.26 -0.53 0.00 0.86 0.00 0.00 177.93 178.98 3d8t s ALA 106 N -3.25 -0.42 -0.09 2.45 0.00 -1.06 -5.04 121.76 114.36 3d8t s ALA 106 Ca 0.04 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3d8t s ALA 106 Cb 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3d8t s ALA 106 CO 0.68 -0.11 -0.10 0.08 0.00 0.00 0.00 175.76 176.31 3d8t s VAL 107 N 0.48 1.11 0.00 0.00 1.01 -1.26 -1.04 120.40 120.69 3d8t s VAL 107 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3d8t s VAL 107 Cb -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3d8t s VAL 107 CO -0.02 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3d8t n GLY 108 N 4.29 -1.00 0.68 4.51 0.00 -0.00 -5.00 105.19 108.67 3d8t n GLY 108 Ca -0.19 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.26 3d8t n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d8t n ASP 109 N -1.85 3.38 0.00 1.61 5.75 -1.14 -4.50 116.55 119.80 3d8t n ASP 109 Ca 0.00 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.01 3d8t n ASP 109 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3d8t n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d8t n GLY 110 N -0.43 0.21 3.48 6.12 0.00 0.03 -4.96 105.19 109.63 3d8t n GLY 110 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3d8t n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d8t s THR 111 N -2.00 2.80 0.19 2.61 -4.23 -1.25 -4.81 115.64 108.95 3d8t s THR 111 Ca 0.00 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 3d8t s THR 111 Cb 0.00 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.68 3d8t s THR 111 CO 0.00 0.14 1.80 0.28 -0.54 0.00 0.00 174.62 176.30 3d8t h SER 112 N 3.88 0.44 -0.07 3.99 0.02 -1.93 -2.58 113.55 117.29 3d8t h SER 112 Ca -0.50 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.50 3d8t h SER 112 Cb 1.17 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3d8t h SER 112 CO 0.46 0.30 0.07 0.07 -1.14 0.00 0.00 176.83 176.58 3d8t h LYS 113 N 0.57 0.00 0.00 3.45 2.10 -1.96 -0.15 116.57 120.58 3d8t h LYS 113 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3d8t h LYS 113 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3d8t h LYS 113 CO -0.16 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.95 3d8t h SER 114 N 0.00 0.00 1.47 7.07 4.64 -1.86 -2.67 113.55 122.20 3d8t h SER 114 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3d8t h SER 114 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3d8t h SER 114 CO -0.00 0.00 -0.32 -0.07 -0.87 0.00 0.00 176.83 175.57 3d8t h LEU 115 N 0.00 0.00 -0.39 5.97 3.38 -1.12 -3.39 115.31 119.76 3d8t h LEU 115 Ca 0.00 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3d8t h LEU 115 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3d8t h LEU 115 CO 0.00 0.02 0.11 -0.07 0.09 0.00 0.00 178.44 178.59 3d8t h LEU 116 N 0.00 0.09 -1.02 1.67 3.38 -1.55 -0.61 115.31 117.28 3d8t h LEU 116 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d8t h LEU 116 Cb 0.89 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3d8t h LEU 116 CO 0.00 0.09 0.00 -0.65 0.09 0.00 0.00 178.44 177.97 3d8t h PRO 117 N 0.26 0.00 0.00 1.13 0.11 -1.78 -2.99 132.00 128.73 3d8t h PRO 117 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3d8t h PRO 117 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3d8t h PRO 117 CO -0.20 0.00 -0.75 1.28 -0.21 0.00 0.00 178.00 178.12 3d8t n LEU 118 N -2.54 0.62 -4.68 2.35 4.77 -0.29 -4.92 117.00 112.31 3d8t n LEU 118 Ca 0.01 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 3d8t n LEU 118 Cb 0.25 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3d8t n LEU 118 CO 0.22 0.04 1.18 -0.76 -1.33 0.00 0.00 177.39 176.74 3d8t s LEU 119 N -3.75 4.30 0.46 2.23 1.43 -0.84 -5.01 118.68 117.50 3d8t s LEU 119 Ca 0.07 2.09 -0.22 0.00 -1.03 0.00 0.00 54.13 55.04 3d8t s LEU 119 Cb 0.15 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 3d8t s LEU 119 CO 0.75 -0.78 1.06 -2.16 0.23 0.00 0.00 176.35 175.45 3d8t s PRO 120 N 2.99 3.87 0.24 1.29 0.04 -1.26 -5.01 135.00 137.16 3d8t s PRO 120 Ca 0.65 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3d8t s PRO 120 Cb -0.31 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 3d8t s PRO 120 CO 0.25 -0.39 1.27 -1.14 0.04 0.00 0.00 177.00 177.04 3d8t s GLN 121 N -2.97 4.42 0.00 4.56 2.00 -1.26 -4.95 119.66 121.46 3d8t s GLN 121 Ca 0.65 2.05 0.00 0.00 -2.00 0.00 0.00 55.36 56.05 3d8t s GLN 121 Cb -0.20 -3.17 0.00 0.00 0.80 0.00 0.00 33.01 30.44 3d8t s GLN 121 CO 0.24 -0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.28 3d8t n GLY 122 N 1.83 3.05 3.49 2.59 0.00 -0.46 -5.08 105.19 110.61 3d8t n GLY 122 Ca 0.04 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 3d8t n GLY 122 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d8t s ARG 123 N 2.03 1.35 3.47 1.61 3.52 -1.26 -4.32 118.95 125.35 3d8t s ARG 123 Ca 0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3d8t s ARG 123 Cb 0.00 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 3d8t s ARG 123 CO 0.00 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 3d8t n GLY 124 N -0.36 0.48 3.43 8.12 0.00 -1.24 -4.70 105.19 110.93 3d8t n GLY 124 Ca -0.13 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3d8t n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d8t s VAL 125 N 0.00 3.12 -0.32 1.61 1.01 -1.26 -1.14 120.40 123.42 3d8t s VAL 125 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3d8t s VAL 125 Cb 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.15 3d8t s VAL 125 CO 0.00 0.56 0.06 0.00 0.00 0.00 0.00 175.10 175.72 3d8t s ALA 126 N -0.20 2.95 -0.01 5.51 0.00 0.11 -1.33 121.76 128.78 3d8t s ALA 126 Ca 0.01 -1.71 -0.26 0.00 0.00 0.00 0.00 51.96 50.00 3d8t s ALA 126 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3d8t s ALA 126 CO 0.03 -1.25 0.80 0.00 0.00 0.00 0.00 175.76 175.34 3d8t s ALA 127 N 1.36 3.30 -0.17 0.00 0.00 -0.03 -0.61 121.76 125.61 3d8t s ALA 127 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3d8t s ALA 127 Cb -0.19 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3d8t s ALA 127 CO 0.01 -0.08 -0.16 -0.51 0.00 0.00 0.00 175.76 175.02 3d8t s LEU 128 N 0.58 2.41 -0.24 0.00 1.43 -0.06 -0.94 118.68 121.86 3d8t s LEU 128 Ca 0.42 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 3d8t s LEU 128 Cb -0.20 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3d8t s LEU 128 CO 0.22 0.05 0.64 -1.58 0.23 0.00 0.00 176.35 175.92 3d8t s GLN 129 N 1.01 4.13 0.33 1.70 -0.44 0.03 -0.46 119.66 125.96 3d8t s GLN 129 Ca -0.02 0.59 0.09 0.00 -2.50 0.00 0.00 55.36 53.51 3d8t s GLN 129 Cb -0.15 -3.64 -0.04 0.00 -1.64 0.00 0.00 33.01 27.54 3d8t s GLN 129 CO -0.04 -0.39 0.09 -0.51 0.50 0.00 0.00 175.29 174.95 3d8t s LEU 130 N 2.43 3.20 -0.20 3.68 1.43 -0.58 -3.51 118.68 125.13 3d8t s LEU 130 Ca 0.27 -0.80 0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3d8t s LEU 130 Cb -0.16 -1.66 0.43 0.00 0.03 0.00 0.00 46.19 44.83 3d8t s LEU 130 CO 0.09 -0.24 1.21 0.00 0.23 0.00 0.00 176.35 177.64 3d8t n TYR 131 N -1.07 0.33 0.00 0.29 0.18 -1.26 -4.74 117.16 110.89 3d8t n TYR 131 Ca -0.04 -1.50 0.00 0.00 1.88 0.00 0.00 57.90 58.25 3d8t n TYR 131 Cb 0.61 -0.25 0.00 0.00 -0.38 0.00 0.00 39.34 39.32 3d8t n TYR 131 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3d8t n GLY 132 N -0.91 1.26 3.21 -7.48 0.00 -1.24 -4.91 105.19 95.13 3d8t n GLY 132 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3d8t n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d8t s LYS 133 N -0.10 0.86 0.97 1.61 -2.85 -1.26 -0.40 119.74 118.57 3d8t s LYS 133 Ca 0.00 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 53.95 3d8t s LYS 133 Cb 0.00 0.35 0.16 0.00 -2.06 0.00 0.00 37.83 36.28 3d8t s LYS 133 CO 0.00 -0.28 1.03 -2.30 0.10 0.00 0.00 175.35 173.90 3d8t n PRO 134 N -0.03 -0.77 -3.82 1.78 -0.02 -1.26 -4.94 135.00 125.93 3d8t n PRO 134 Ca -0.15 -0.17 -0.28 0.00 -2.02 0.00 0.00 63.50 60.88 3d8t n PRO 134 Cb 0.62 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 3d8t n PRO 134 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d8t s LEU 135 N -6.02 4.11 0.30 2.45 1.43 -1.26 -4.99 118.68 114.70 3d8t s LEU 135 Ca 0.66 -3.52 -0.01 0.00 -1.03 0.00 0.00 54.13 50.23 3d8t s LEU 135 Cb -0.23 -1.43 0.46 0.00 0.03 0.00 0.00 46.19 45.02 3d8t s LEU 135 CO 0.60 -0.13 1.94 1.55 0.23 0.00 0.00 176.35 180.54 3d8t h PRO 136 N 5.71 1.08 0.05 1.29 0.13 -1.98 0.10 132.00 138.38 3d8t h PRO 136 Ca 0.11 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3d8t h PRO 136 Cb 0.81 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3d8t h PRO 136 CO 0.65 0.71 -0.07 1.25 -0.23 0.00 0.00 178.00 180.31 3d8t h LEU 137 N 1.11 -0.19 -0.37 1.56 5.85 -2.00 -1.09 115.31 120.18 3d8t h LEU 137 Ca 0.34 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.92 3d8t h LEU 137 Cb -0.01 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3d8t h LEU 137 CO -0.10 -0.11 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.43 3d8t h LEU 138 N -0.15 1.00 -0.42 2.25 3.38 -1.82 -1.59 115.31 117.97 3d8t h LEU 138 Ca 0.01 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.55 3d8t h LEU 138 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3d8t h LEU 138 CO -0.03 1.27 0.16 -0.33 0.09 0.00 0.00 178.44 179.60 3d8t h GLU 139 N 0.75 0.33 -0.27 1.13 5.08 -0.70 0.55 114.58 121.45 3d8t h GLU 139 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3d8t h GLU 139 Cb 1.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3d8t h GLU 139 CO 0.10 0.22 0.13 -0.97 -1.00 0.00 0.00 179.01 177.49 3d8t h ASN 140 N 0.34 0.35 -1.01 1.42 -1.24 -1.11 -1.65 115.58 112.69 3d8t h ASN 140 Ca 0.19 -0.12 0.04 0.00 0.71 0.00 0.00 56.30 57.11 3d8t h ASN 140 Cb 0.16 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.06 3d8t h ASN 140 CO -0.18 0.37 0.66 0.00 -1.29 0.00 0.00 177.43 177.00 3d8t h ALA 141 N 0.99 1.34 -0.42 1.57 0.00 -0.92 -1.01 119.26 120.81 3d8t h ALA 141 Ca 0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3d8t h ALA 141 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3d8t h ALA 141 CO -0.01 0.56 -0.31 -0.07 0.00 0.00 0.00 179.25 179.42 3d8t h LEU 142 N 1.28 0.99 -0.92 0.00 3.38 -0.76 -1.88 115.31 117.41 3d8t h LEU 142 Ca 0.40 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3d8t h LEU 142 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3d8t h LEU 142 CO -0.12 1.21 0.24 0.00 0.09 0.00 0.00 178.44 179.85 3d8t h ALA 143 N 0.84 1.13 0.00 1.53 0.00 -0.70 -0.40 119.26 121.67 3d8t h ALA 143 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3d8t h ALA 143 Cb 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3d8t h ALA 143 CO 0.08 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.33 3d8t n GLU 144 N -4.28 0.17 -0.21 0.00 -0.58 -0.44 -2.38 120.64 112.93 3d8t n GLU 144 Ca 0.06 0.31 0.11 0.00 -0.42 0.00 0.00 57.16 57.22 3d8t n GLU 144 Cb 0.20 -1.78 0.22 0.00 -0.57 0.00 0.00 31.44 29.51 3d8t n GLU 144 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3d8t n ARG 145 N -2.10 2.46 -0.14 3.49 1.74 -0.72 -4.97 116.66 116.42 3d8t n ARG 145 Ca 0.04 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 3d8t n ARG 145 Cb 0.28 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3d8t n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d8t n GLY 146 N 1.37 0.92 3.65 -0.13 0.00 -0.80 -1.36 105.19 108.84 3d8t n GLY 146 Ca 0.19 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3d8t n GLY 146 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d8t s TYR 147 N -2.00 3.00 0.10 1.61 1.51 -0.24 -3.62 117.35 117.71 3d8t s TYR 147 Ca 0.00 0.03 -0.25 0.00 -1.01 0.00 0.00 57.07 55.84 3d8t s TYR 147 Cb 0.00 -1.65 -0.07 0.00 -0.11 0.00 0.00 41.96 40.14 3d8t s TYR 147 CO 0.00 0.43 0.76 0.50 -1.11 0.00 0.00 175.55 176.13 3d8t s ARG 148 N -1.48 4.52 -0.11 -0.62 3.52 -0.30 -3.74 118.95 120.74 3d8t s ARG 148 Ca 0.18 1.10 -0.22 0.00 -0.13 0.00 0.00 55.73 56.66 3d8t s ARG 148 Cb -0.11 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3d8t s ARG 148 CO 0.09 0.41 0.65 0.08 -0.81 0.00 0.00 175.30 175.72 3d8t s VAL 149 N -0.54 5.06 -0.39 7.11 1.01 -1.26 0.04 120.40 131.43 3d8t s VAL 149 Ca 0.37 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.56 3d8t s VAL 149 Cb -0.22 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.24 3d8t s VAL 149 CO 0.24 0.23 0.21 -0.22 0.00 0.00 0.00 175.10 175.56 3d8t s LEU 150 N 1.07 4.85 0.34 3.92 2.96 0.23 -4.93 118.68 127.11 3d8t s LEU 150 Ca 0.33 -1.30 -0.26 0.00 -0.22 0.00 0.00 54.13 52.69 3d8t s LEU 150 Cb -0.17 -1.97 -0.10 0.00 0.50 0.00 0.00 46.19 44.46 3d8t s LEU 150 CO 0.14 -0.45 0.99 -2.16 -1.32 0.00 0.00 176.35 173.55 3d8t s PRO 151 N 1.45 4.47 -0.35 0.98 0.04 -1.26 -0.88 135.00 139.44 3d8t s PRO 151 Ca 0.02 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.48 3d8t s PRO 151 Cb -0.21 -2.75 0.11 0.00 0.04 0.00 0.00 34.50 31.69 3d8t s PRO 151 CO 0.03 0.15 0.12 -0.51 0.04 0.00 0.00 177.00 176.84 3d8t s LEU 152 N -2.18 3.00 -0.23 -3.56 1.43 0.40 -4.86 118.68 112.67 3d8t s LEU 152 Ca 0.52 -2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 51.56 3d8t s LEU 152 Cb -0.21 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 44.99 3d8t s LEU 152 CO 0.26 -0.37 0.13 -0.32 0.23 0.00 0.00 176.35 176.28 3d8t s MET 153 N 1.12 0.15 0.28 1.70 1.75 -1.26 -1.53 119.30 121.51 3d8t s MET 153 Ca 0.12 -0.25 0.13 0.00 -1.25 0.00 0.00 55.69 54.44 3d8t s MET 153 Cb -0.19 -1.40 0.35 0.00 2.84 0.00 0.00 34.83 36.42 3d8t s MET 153 CO -0.15 -0.84 1.59 -1.00 -0.65 0.00 0.00 175.02 173.96 3d8t h PRO 154 N 8.39 0.00 -3.72 4.11 0.13 -1.90 -3.42 132.00 135.60 3d8t h PRO 154 Ca -0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.80 3d8t h PRO 154 Cb 1.08 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.00 3d8t h PRO 154 CO 0.36 0.59 -0.59 0.71 -0.23 0.00 0.00 178.00 178.83 3d8t s TYR 155 N -3.42 0.12 0.03 1.56 1.51 -1.26 -1.59 117.35 114.29 3d8t s TYR 155 Ca -0.00 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 3d8t s TYR 155 Cb 0.11 -0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.84 3d8t s TYR 155 CO 0.75 -0.22 -0.21 0.50 -1.11 0.00 0.00 175.55 175.26 3d8t s ARG 156 N -1.27 1.49 -0.05 -0.62 3.52 0.14 -3.63 118.95 118.53 3d8t s ARG 156 Ca -0.14 -0.89 0.04 0.00 -0.13 0.00 0.00 55.73 54.62 3d8t s ARG 156 Cb -0.08 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.73 3d8t s ARG 156 CO 0.00 0.41 -0.16 -1.01 -0.81 0.00 0.00 175.30 173.73 3d8t s HIS 157 N -0.71 2.66 0.01 5.12 3.76 0.47 -0.82 115.29 125.77 3d8t s HIS 157 Ca 0.08 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.81 3d8t s HIS 157 Cb -0.09 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 3d8t s HIS 157 CO 0.01 0.13 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.39 3d8t s LEU 158 N -0.65 2.86 0.72 0.89 1.43 -1.20 -4.69 118.68 118.04 3d8t s LEU 158 Ca 0.10 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3d8t s LEU 158 Cb -0.11 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.49 3d8t s LEU 158 CO 0.01 0.29 1.07 -2.16 0.23 0.00 0.00 176.35 175.78 3d8t s PRO 159 N -1.28 2.69 -0.67 1.29 0.04 -1.26 -0.27 135.00 135.54 3d8t s PRO 159 Ca 0.15 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.05 3d8t s PRO 159 Cb -0.11 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.64 3d8t s PRO 159 CO 0.05 -1.27 0.55 0.34 0.04 0.00 0.00 177.00 176.71 3d8t s ASP 160 N -3.75 5.89 0.22 6.66 -1.08 -0.23 -3.96 116.67 120.42 3d8t s ASP 160 Ca 0.59 -2.62 -0.09 0.00 -0.52 0.00 0.00 52.55 49.90 3d8t s ASP 160 Cb -0.15 -2.02 0.18 0.00 -1.46 0.00 0.00 42.92 39.48 3d8t s ASP 160 CO 0.55 -0.50 1.88 -0.65 0.52 0.00 0.00 175.17 176.97 3d8t h PRO 161 N 7.57 1.08 -0.22 4.34 0.11 -1.95 0.13 132.00 143.06 3d8t h PRO 161 Ca -0.01 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 3d8t h PRO 161 Cb 1.01 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3d8t h PRO 161 CO 0.76 0.73 -0.34 0.93 -0.21 0.00 0.00 178.00 179.86 3d8t h GLU 162 N 1.10 0.46 -0.61 1.05 3.07 -1.98 -1.63 114.58 116.04 3d8t h GLU 162 Ca 0.30 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.86 3d8t h GLU 162 Cb -0.10 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3d8t h GLU 162 CO -0.06 0.74 0.02 0.78 -1.40 0.00 0.00 179.01 179.09 3d8t h GLY 163 N 1.08 1.14 0.93 -3.84 0.00 -1.61 -0.32 103.07 100.46 3d8t h GLY 163 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.57 3d8t h GLY 163 CO 0.06 0.75 0.21 -2.22 0.00 0.00 0.00 176.54 175.35 3d8t h ILE 164 N 0.97 1.05 -0.66 2.60 2.04 -0.39 -1.36 117.51 121.76 3d8t h ILE 164 Ca 0.18 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3d8t h ILE 164 Cb 0.53 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3d8t h ILE 164 CO 0.03 0.08 0.28 -0.07 0.00 0.00 0.00 178.15 178.47 3d8t h LEU 165 N 0.44 0.87 -0.81 1.44 3.38 -0.93 -1.00 115.31 118.70 3d8t h LEU 165 Ca 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3d8t h LEU 165 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3d8t h LEU 165 CO -0.06 0.76 0.20 0.03 0.09 0.00 0.00 178.44 179.46 3d8t h ARG 166 N 0.94 1.09 -0.20 1.13 3.08 -0.58 -0.57 114.38 119.28 3d8t h ARG 166 Ca 0.23 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3d8t h ARG 166 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3d8t h ARG 166 CO -0.02 0.94 -0.27 1.25 -1.07 0.00 0.00 179.97 180.80 3d8t h LEU 167 N 1.05 0.58 -0.64 3.04 5.85 -0.88 -0.84 115.31 123.46 3d8t h LEU 167 Ca 0.23 -0.51 0.08 0.00 0.84 0.00 0.00 57.88 58.52 3d8t h LEU 167 Cb 0.32 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3d8t h LEU 167 CO -0.00 0.97 0.30 -0.08 -0.34 0.00 0.00 178.44 179.29 3d8t h GLU 168 N 0.20 0.52 -0.53 1.25 4.81 -1.08 -1.21 114.58 118.53 3d8t h GLU 168 Ca 0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3d8t h GLU 168 Cb 0.84 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3d8t h GLU 168 CO 0.06 0.34 -0.01 1.49 -0.73 0.00 0.00 179.01 180.17 3d8t h GLU 169 N 0.53 0.91 -0.51 1.92 4.57 -0.91 0.08 114.58 121.18 3d8t h GLU 169 Ca 0.31 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 3d8t h GLU 169 Cb 0.31 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3d8t h GLU 169 CO -0.25 0.91 -0.05 0.00 -1.18 0.00 0.00 179.01 178.44 3d8t h ALA 170 N 1.14 0.69 -0.01 2.92 0.00 -0.69 0.88 119.26 124.19 3d8t h ALA 170 Ca 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d8t h ALA 170 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3d8t h ALA 170 CO 0.03 0.55 0.00 0.28 0.00 0.00 0.00 179.25 180.11 3d8t h VAL 171 N 0.79 1.11 0.00 0.00 2.07 -0.92 -1.33 116.25 117.97 3d8t h VAL 171 Ca 0.14 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3d8t h VAL 171 Cb 0.59 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3d8t h VAL 171 CO 0.04 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 3d8t h LEU 172 N -0.13 0.00 -0.63 2.57 3.38 -0.80 -2.19 115.31 117.51 3d8t h LEU 172 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d8t h LEU 172 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3d8t h LEU 172 CO -0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 3d8t n ARG 173 N -2.96 1.41 -1.94 1.13 1.74 0.29 -4.94 116.66 111.39 3d8t n ARG 173 Ca 0.03 -0.63 -0.09 0.00 -0.77 0.00 0.00 57.85 56.39 3d8t n ARG 173 Cb 0.41 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 3d8t n ARG 173 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d8t n GLY 174 N 0.96 0.27 0.95 -0.13 0.00 -0.82 -4.94 105.19 101.47 3d8t n GLY 174 Ca 0.14 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3d8t n GLY 174 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d8t n GLU 175 N -2.11 2.28 -3.78 1.61 1.02 -0.51 -4.90 120.64 114.25 3d8t n GLU 175 Ca -0.11 -1.89 -0.15 0.00 -0.02 0.00 0.00 57.16 55.00 3d8t n GLU 175 Cb 0.51 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 3d8t n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d8t s VAL 176 N -1.83 -0.05 -0.13 2.62 0.11 -1.25 -4.92 120.40 114.94 3d8t s VAL 176 Ca 0.33 0.19 0.19 0.00 -2.93 0.00 0.00 61.98 59.76 3d8t s VAL 176 Cb 0.21 -0.08 -0.21 0.00 -1.53 0.00 0.00 36.38 34.77 3d8t s VAL 176 CO 0.31 0.08 0.55 0.47 -3.33 0.00 0.00 175.10 173.18 3d8t n ASP 177 N 4.07 0.41 -3.75 3.54 8.00 0.36 -4.66 116.55 124.52 3d8t n ASP 177 Ca -0.26 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 3d8t n ASP 177 Cb 0.51 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.41 3d8t n ASP 177 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d8t s ALA 178 N -2.99 -0.68 -0.09 2.24 0.00 -0.87 -1.20 121.76 118.17 3d8t s ALA 178 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 3d8t s ALA 178 Cb 0.09 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.61 3d8t s ALA 178 CO 0.84 -0.44 0.03 -1.17 0.00 0.00 0.00 175.76 175.02 3d8t s LEU 179 N -2.17 0.51 -0.34 0.00 2.96 0.22 -0.72 118.68 119.14 3d8t s LEU 179 Ca -0.04 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.55 3d8t s LEU 179 Cb -0.00 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 3d8t s LEU 179 CO -0.04 -0.24 0.33 0.00 -1.32 0.00 0.00 176.35 175.08 3d8t s ALA 180 N 2.03 3.50 -0.24 5.97 0.00 0.50 0.01 121.76 133.53 3d8t s ALA 180 Ca 0.04 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 3d8t s ALA 180 Cb -0.13 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 3d8t s ALA 180 CO -0.05 -1.01 0.06 -0.06 0.00 0.00 0.00 175.76 174.70 3d8t s PHE 181 N 1.94 3.09 -0.63 0.00 0.40 -0.08 -1.48 117.98 121.21 3d8t s PHE 181 Ca 0.10 -0.41 0.23 0.00 -0.60 0.00 0.00 56.93 56.25 3d8t s PHE 181 Cb -0.17 -2.22 0.10 0.00 0.51 0.00 0.00 43.02 41.24 3d8t s PHE 181 CO 0.11 -0.34 1.07 1.33 0.70 0.00 0.00 175.22 178.10 3d8t n VAL 182 N 4.83 0.19 -3.84 -0.44 0.24 -1.26 -1.29 118.33 116.76 3d8t n VAL 182 Ca -0.16 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 3d8t n VAL 182 Cb 0.51 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.95 3d8t n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d8t s ALA 183 N -3.19 -0.40 0.29 2.33 0.00 -1.26 -4.63 121.76 114.91 3d8t s ALA 183 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.18 3d8t s ALA 183 Cb 0.14 -0.06 0.64 0.00 0.00 0.00 0.00 23.12 23.85 3d8t s ALA 183 CO 0.79 -0.16 1.79 0.00 0.00 0.00 0.00 175.76 178.18 3d8t h ALA 184 N 4.90 1.55 -0.93 0.00 0.00 -1.87 -0.87 119.26 122.05 3d8t h ALA 184 Ca -0.28 0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.85 3d8t h ALA 184 Cb 1.19 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 3d8t h ALA 184 CO 0.40 0.03 0.59 0.82 0.00 0.00 0.00 179.25 181.10 3d8t h ILE 185 N 0.82 0.78 -0.57 0.00 2.04 -1.97 -0.91 117.51 117.70 3d8t h ILE 185 Ca 0.53 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 66.09 3d8t h ILE 185 Cb 0.72 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3d8t h ILE 185 CO -0.34 0.12 0.08 1.56 0.00 0.00 0.00 178.15 179.57 3d8t h GLN 186 N 0.67 0.96 -0.09 2.37 4.20 -1.54 0.23 115.11 121.90 3d8t h GLN 186 Ca 0.48 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 3d8t h GLN 186 Cb 0.84 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 3d8t h GLN 186 CO -0.24 0.92 0.04 0.28 -0.67 0.00 0.00 178.83 179.16 3d8t h VAL 187 N 0.85 1.13 -0.27 -0.54 2.07 -1.23 -1.40 116.25 116.86 3d8t h VAL 187 Ca 0.17 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3d8t h VAL 187 Cb 0.44 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3d8t h VAL 187 CO 0.01 0.11 0.16 -0.33 0.02 0.00 0.00 177.57 177.54 3d8t h GLU 188 N 0.01 0.37 -0.62 1.57 5.08 -0.96 -1.75 114.58 118.28 3d8t h GLU 188 Ca 0.03 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3d8t h GLU 188 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3d8t h GLU 188 CO -0.00 0.31 0.40 0.74 -1.00 0.00 0.00 179.01 179.46 3d8t h PHE 189 N 0.33 0.75 0.16 4.33 0.04 -0.53 0.17 116.94 122.20 3d8t h PHE 189 Ca 0.10 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3d8t h PHE 189 Cb 0.04 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.94 3d8t h PHE 189 CO -0.04 0.46 -0.10 1.25 -0.60 0.00 0.00 178.31 179.28 3d8t h LEU 190 N 0.80 -0.25 -0.49 1.54 5.85 -0.98 -0.86 115.31 120.92 3d8t h LEU 190 Ca 0.23 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 3d8t h LEU 190 Cb -0.05 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3d8t h LEU 190 CO -0.07 -0.16 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.08 3d8t h PHE 191 N -0.25 0.77 -0.01 1.25 -1.00 -1.19 -1.86 116.94 114.64 3d8t h PHE 191 Ca -0.02 -0.27 -0.08 0.00 2.81 0.00 0.00 57.97 60.42 3d8t h PHE 191 Cb 0.21 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 3d8t h PHE 191 CO -0.08 1.01 -0.38 0.93 -1.61 0.00 0.00 178.31 178.18 3d8t h GLU 192 N 0.48 0.02 -0.02 1.51 5.08 -0.89 -3.12 114.58 117.63 3d8t h GLU 192 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3d8t h GLU 192 Cb 1.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3d8t h GLU 192 CO 0.10 0.39 -0.11 0.41 -1.00 0.00 0.00 179.01 178.81 3d8t n GLY 193 N -0.43 0.57 3.79 -3.84 0.00 -0.34 -4.97 105.19 99.98 3d8t n GLY 193 Ca -0.02 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3d8t n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8t s ALA 194 N -2.12 2.95 0.20 4.61 0.00 -0.71 -4.64 121.76 122.03 3d8t s ALA 194 Ca 0.27 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3d8t s ALA 194 Cb 0.20 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 20.18 3d8t s ALA 194 CO 0.37 -0.27 1.47 0.87 0.00 0.00 0.00 175.76 178.20 3d8t h LYS 195 N 1.89 0.31 -2.16 0.00 1.79 -1.91 -3.39 116.57 113.09 3d8t h LYS 195 Ca -0.49 -0.25 -0.58 0.00 -2.18 0.00 0.00 60.65 57.16 3d8t h LYS 195 Cb 1.22 0.05 -0.39 0.00 -1.58 0.00 0.00 32.23 31.53 3d8t h LYS 195 CO 0.60 0.89 -0.99 -3.47 -1.08 0.00 0.00 179.45 175.41 3d8t n ASP 196 N -3.82 0.60 0.18 0.86 -0.08 -1.26 -4.97 116.55 108.06 3d8t n ASP 196 Ca -0.03 -2.73 0.06 0.00 -1.51 0.00 0.00 54.79 50.57 3d8t n ASP 196 Cb 0.69 -0.63 0.55 0.00 2.34 0.00 0.00 41.12 44.07 3d8t n ASP 196 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3d8t h PRO 197 N 4.48 0.15 -0.19 -0.67 0.13 -1.85 -1.21 132.00 132.84 3d8t h PRO 197 Ca 0.14 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3d8t h PRO 197 Cb 0.85 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3d8t h PRO 197 CO 0.50 0.14 0.12 -0.22 -0.23 0.00 0.00 178.00 178.31 3d8t h LYS 198 N 0.15 0.26 -0.46 0.86 3.64 -1.97 -0.87 116.57 118.20 3d8t h LYS 198 Ca 0.04 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3d8t h LYS 198 Cb 0.06 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3d8t h LYS 198 CO -0.00 0.21 0.02 0.00 -2.27 0.00 0.00 179.45 177.41 3d8t h ALA 199 N 1.03 1.19 -0.56 5.00 0.00 -1.87 -2.35 119.26 121.71 3d8t h ALA 199 Ca 0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3d8t h ALA 199 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3d8t h ALA 199 CO -0.01 0.53 -0.02 1.25 0.00 0.00 0.00 179.25 181.00 3d8t h LEU 200 N 0.69 0.99 0.05 0.00 5.85 -1.03 -1.10 115.31 120.76 3d8t h LEU 200 Ca 0.14 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3d8t h LEU 200 Cb 0.39 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3d8t h LEU 200 CO 0.01 1.06 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.05 3d8t h ARG 201 N 0.88 -0.09 -0.63 1.25 2.43 -0.87 -0.79 114.38 116.56 3d8t h ARG 201 Ca 0.16 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3d8t h ARG 201 Cb 0.57 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 3d8t h ARG 201 CO 0.03 -0.06 0.31 1.49 -1.51 0.00 0.00 179.97 180.23 3d8t h GLU 202 N -0.10 0.54 -0.44 0.20 4.22 -1.31 0.86 114.58 118.55 3d8t h GLU 202 Ca -0.00 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.43 3d8t h GLU 202 Cb 0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3d8t h GLU 202 CO -0.00 0.36 0.26 0.00 -2.18 0.00 0.00 179.01 177.44 3d8t h ALA 203 N 1.37 0.56 0.00 2.92 0.00 -0.97 -1.57 119.26 121.57 3d8t h ALA 203 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3d8t h ALA 203 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d8t h ALA 203 CO -0.23 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.24 3d8t n LEU 204 N -4.84 0.02 -0.33 0.00 4.77 -0.32 -1.42 117.00 114.88 3d8t n LEU 204 Ca 0.02 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 3d8t n LEU 204 Cb 0.07 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.71 3d8t n LEU 204 CO 0.32 -0.21 0.30 0.59 -1.33 0.00 0.00 177.39 177.07 3d8t n ASN 205 N -1.52 1.57 0.00 -1.43 3.02 0.23 -4.22 115.26 112.91 3d8t n ASN 205 Ca 0.04 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3d8t n ASN 205 Cb 0.21 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 3d8t n ASN 205 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d8t n THR 206 N -0.51 0.00 0.08 3.41 -2.24 -0.84 -4.97 114.28 109.21 3d8t n THR 206 Ca 0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 3d8t n THR 206 Cb 0.41 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.44 3d8t n THR 206 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3d8t h ARG 207 N 0.00 0.14 -5.27 -0.78 3.08 -1.61 -3.43 114.38 106.51 3d8t h ARG 207 Ca 0.00 -0.20 -0.63 0.00 0.07 0.00 0.00 59.98 59.22 3d8t h ARG 207 Cb 0.00 0.07 -0.21 0.00 0.08 0.00 0.00 29.97 29.91 3d8t h ARG 207 CO 0.00 1.03 -0.65 0.08 -1.07 0.00 0.00 179.97 179.36 3d8t s VAL 208 N -2.91 4.08 -0.30 2.04 1.01 -0.50 -4.83 120.40 118.99 3d8t s VAL 208 Ca -0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 3d8t s VAL 208 Cb 0.09 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3d8t s VAL 208 CO 0.84 0.48 0.49 -0.54 0.00 0.00 0.00 175.10 176.36 3d8t s LYS 209 N 0.47 3.89 -0.05 2.72 1.02 -0.34 -4.21 119.74 123.24 3d8t s LYS 209 Ca -0.02 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 3d8t s LYS 209 Cb -0.14 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.44 3d8t s LYS 209 CO 0.02 -0.45 0.98 0.00 -0.92 0.00 0.00 175.35 174.98 3d8t s ALA 210 N 2.30 3.27 -0.10 5.17 0.00 -1.26 -0.61 121.76 130.53 3d8t s ALA 210 Ca 0.19 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.62 3d8t s ALA 210 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3d8t s ALA 210 CO 0.11 -0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 174.82 3d8t s LEU 211 N 1.43 2.61 -0.07 0.00 1.43 0.10 0.06 118.68 124.24 3d8t s LEU 211 Ca 0.50 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3d8t s LEU 211 Cb -0.20 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 3d8t s LEU 211 CO 0.23 0.21 -0.21 0.00 0.23 0.00 0.00 176.35 176.81 3d8t s ALA 212 N 0.08 1.91 -0.45 4.21 0.00 -0.60 -0.91 121.76 126.01 3d8t s ALA 212 Ca -0.07 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 3d8t s ALA 212 Cb -0.15 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3d8t s ALA 212 CO 0.05 0.29 0.63 0.08 0.00 0.00 0.00 175.76 176.81 3d8t s VAL 213 N 0.21 4.84 0.00 0.00 1.01 -0.41 -0.84 120.40 125.21 3d8t s VAL 213 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3d8t s VAL 213 Cb -0.15 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3d8t s VAL 213 CO 0.06 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.15 3d8t n GLY 214 N 5.05 -0.47 0.36 4.51 0.00 0.27 -4.21 105.19 110.71 3d8t n GLY 214 Ca -0.02 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.58 3d8t n GLY 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d8t h ARG 215 N 0.00 0.88 -0.44 1.61 9.65 -1.92 -1.38 114.38 122.78 3d8t h ARG 215 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3d8t h ARG 215 Cb 0.00 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 3d8t h ARG 215 CO 0.00 0.58 0.29 0.28 2.80 0.00 0.00 179.97 183.93 3d8t h VAL 216 N 0.91 1.12 -0.55 0.20 2.07 -1.99 0.27 116.25 118.28 3d8t h VAL 216 Ca 0.52 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.79 3d8t h VAL 216 Cb 0.63 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3d8t h VAL 216 CO -0.30 0.11 0.17 0.74 0.02 0.00 0.00 177.57 178.32 3d8t h THR 217 N 0.60 1.23 -0.61 2.57 2.02 -1.61 -2.36 112.91 114.76 3d8t h THR 217 Ca 0.16 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.58 3d8t h THR 217 Cb -0.07 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 3d8t h THR 217 CO -0.03 0.29 0.37 0.00 0.37 0.00 0.00 175.52 176.52 3d8t h ALA 218 N 1.04 0.79 -0.68 6.16 0.00 -0.60 -1.90 119.26 124.06 3d8t h ALA 218 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3d8t h ALA 218 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3d8t h ALA 218 CO -0.01 0.10 0.45 -0.44 0.00 0.00 0.00 179.25 179.35 3d8t h ASP 219 N 0.72 0.68 -0.65 0.00 3.32 -0.27 -0.68 116.42 119.54 3d8t h ASP 219 Ca 0.25 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3d8t h ASP 219 Cb 0.04 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3d8t h ASP 219 CO -0.11 0.46 0.10 0.00 -1.72 0.00 0.00 179.24 177.97 3d8t h ALA 220 N 1.61 0.92 -0.58 3.45 0.00 -0.87 0.17 119.26 123.96 3d8t h ALA 220 Ca 0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3d8t h ALA 220 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3d8t h ALA 220 CO -0.08 0.66 0.20 -0.07 0.00 0.00 0.00 179.25 179.96 3d8t h LEU 221 N 1.02 0.84 -0.88 0.00 3.38 -0.69 -2.83 115.31 116.15 3d8t h LEU 221 Ca 0.20 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3d8t h LEU 221 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3d8t h LEU 221 CO 0.01 0.81 0.27 -0.09 0.09 0.00 0.00 178.44 179.53 3d8t h ARG 222 N 0.82 1.09 -0.93 1.13 2.43 -0.55 0.02 114.38 118.39 3d8t h ARG 222 Ca 0.19 -0.20 0.20 0.00 -0.81 0.00 0.00 59.98 59.36 3d8t h ARG 222 Cb 0.26 -0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 29.52 3d8t h ARG 222 CO -0.01 0.90 0.49 1.49 -1.51 0.00 0.00 179.97 181.33 3d8t h GLU 223 N 1.06 0.56 -0.50 0.20 4.57 -0.47 -0.59 114.58 119.40 3d8t h GLU 223 Ca 0.24 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3d8t h GLU 223 Cb 0.23 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3d8t h GLU 223 CO -0.02 0.37 0.00 0.91 -1.18 0.00 0.00 179.01 179.09 3d8t n TRP 224 N -4.91 0.69 -0.98 0.92 7.02 -0.51 -4.91 117.44 114.76 3d8t n TRP 224 Ca 0.22 -0.33 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 3d8t n TRP 224 Cb 0.60 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.46 3d8t n TRP 224 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3d8t n GLY 225 N 1.22 0.47 3.74 6.99 0.00 -0.23 -4.85 105.19 112.53 3d8t n GLY 225 Ca 0.16 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3d8t n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d8t s VAL 226 N -2.00 5.38 -0.49 1.61 1.01 -0.12 -4.97 120.40 120.81 3d8t s VAL 226 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 3d8t s VAL 226 Cb 0.00 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.89 3d8t s VAL 226 CO 0.00 0.44 0.90 -0.75 0.00 0.00 0.00 175.10 175.69 3d8t s LYS 227 N 0.25 3.43 0.36 2.72 2.20 -1.26 -3.24 119.74 124.19 3d8t s LYS 227 Ca 0.12 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 3d8t s LYS 227 Cb -0.12 -3.98 -0.12 0.00 -1.51 0.00 0.00 37.83 32.11 3d8t s LYS 227 CO 0.01 -1.29 1.38 -2.30 -0.36 0.00 0.00 175.35 172.79 3d8t n PRO 228 N 7.16 2.38 -0.03 4.03 -0.02 -1.26 -4.73 135.00 142.53 3d8t n PRO 228 Ca 0.04 0.83 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 3d8t n PRO 228 Cb 0.48 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3d8t n PRO 228 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d8t h PHE 229 N 2.74 1.06 -2.62 6.00 3.57 -0.72 -3.46 116.94 123.50 3d8t h PHE 229 Ca -0.48 -0.45 -0.11 0.00 3.53 0.00 0.00 57.97 60.46 3d8t h PHE 229 Cb 1.26 -0.17 -0.25 0.00 2.79 0.00 0.00 35.95 39.59 3d8t h PHE 229 CO 0.52 1.28 -0.23 -0.47 -2.23 0.00 0.00 178.31 177.18 3d8t s TYR 230 N -3.81 -0.56 -0.15 0.41 5.04 -1.18 -5.05 117.35 112.06 3d8t s TYR 230 Ca -0.10 1.28 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 3d8t s TYR 230 Cb 0.09 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.64 3d8t s TYR 230 CO 0.90 -0.29 -0.19 0.08 -1.34 0.00 0.00 175.55 174.71 3d8t s VAL 231 N 0.78 1.86 -0.04 3.14 1.01 -1.26 -1.56 120.40 124.32 3d8t s VAL 231 Ca -0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 3d8t s VAL 231 Cb -0.05 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3d8t s VAL 231 CO -0.06 0.51 0.26 -0.62 0.00 0.00 0.00 175.10 175.19 3d8t s ASP 232 N 1.09 6.54 -0.16 3.32 2.15 -0.02 -4.92 116.67 124.67 3d8t s ASP 232 Ca -0.02 0.63 0.16 0.00 0.43 0.00 0.00 52.55 53.76 3d8t s ASP 232 Cb -0.14 -2.12 0.33 0.00 -0.30 0.00 0.00 42.92 40.69 3d8t s ASP 232 CO -0.06 0.33 1.17 -0.62 -0.17 0.00 0.00 175.17 175.82 3d8t n GLU 233 N 1.64 1.38 -3.53 4.34 1.02 -1.26 0.98 120.64 125.20 3d8t n GLU 233 Ca -0.15 -2.82 -0.24 0.00 -0.02 0.00 0.00 57.16 53.93 3d8t n GLU 233 Cb 0.54 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.45 3d8t n GLU 233 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3d8t s THR 234 N -3.00 1.73 -0.30 2.62 -4.23 -1.26 -4.95 115.64 106.25 3d8t s THR 234 Ca 0.34 -1.28 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3d8t s THR 234 Cb 0.31 -2.01 0.52 0.00 1.34 0.00 0.00 72.50 72.66 3d8t s THR 234 CO -0.00 0.00 1.50 -0.62 -0.54 0.00 0.00 174.62 174.95 3d8t n GLU 235 N -2.03 1.90 -4.11 3.99 -0.58 -1.26 -4.75 120.64 113.80 3d8t n GLU 235 Ca 0.06 -3.17 -0.35 0.00 -0.42 0.00 0.00 57.16 53.28 3d8t n GLU 235 Cb 0.63 -1.84 -0.12 0.00 -0.57 0.00 0.00 31.44 29.54 3d8t n GLU 235 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3d8t s ARG 236 N -3.24 3.67 0.26 3.49 0.52 -1.26 -4.99 118.95 117.39 3d8t s ARG 236 Ca 0.45 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 55.11 3d8t s ARG 236 Cb 0.41 -3.08 0.29 0.00 0.52 0.00 0.00 34.95 33.09 3d8t s ARG 236 CO 0.01 0.07 1.93 -0.07 0.02 0.00 0.00 175.30 177.25 3d8t h LEU 237 N 7.30 1.12 -1.45 2.53 3.38 -2.00 -2.25 115.31 123.94 3d8t h LEU 237 Ca -0.35 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.68 3d8t h LEU 237 Cb 1.18 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3d8t h LEU 237 CO 0.62 0.82 0.48 1.23 0.09 0.00 0.00 178.44 181.69 3d8t h GLY 238 N 1.31 0.88 1.14 0.83 0.00 -1.97 -1.03 103.07 104.23 3d8t h GLY 238 Ca 0.35 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 3d8t h GLY 238 CO -0.07 0.14 -0.35 0.23 0.00 0.00 0.00 176.54 176.49 3d8t h SER 239 N 0.61 1.01 -0.02 0.19 0.87 -1.83 -0.50 113.55 113.87 3d8t h SER 239 Ca 0.34 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3d8t h SER 239 Cb 0.51 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3d8t h SER 239 CO -0.12 1.25 0.01 0.25 -0.53 0.00 0.00 176.83 177.69 3d8t h LEU 240 N 0.79 0.02 -0.34 2.23 5.85 -0.94 0.58 115.31 123.51 3d8t h LEU 240 Ca 0.07 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3d8t h LEU 240 Cb 0.94 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3d8t h LEU 240 CO 0.09 0.03 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.77 3d8t h LEU 241 N 0.01 0.92 -0.75 2.25 3.38 -1.27 -1.03 115.31 118.82 3d8t h LEU 241 Ca 0.01 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3d8t h LEU 241 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3d8t h LEU 241 CO -0.00 1.21 0.18 1.56 0.09 0.00 0.00 178.44 181.48 3d8t h GLN 242 N 0.65 1.13 -0.28 1.13 1.08 -1.04 -1.91 115.11 115.86 3d8t h GLN 242 Ca 0.05 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 56.89 3d8t h GLN 242 Cb 0.97 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 3d8t h GLN 242 CO 0.09 0.99 -0.25 0.78 -0.95 0.00 0.00 178.83 179.49 3d8t h GLY 243 N 1.09 0.58 0.87 3.46 0.00 -0.80 -1.56 103.07 106.71 3d8t h GLY 243 Ca 0.22 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3d8t h GLY 243 CO 0.00 0.43 0.15 -2.75 0.00 0.00 0.00 176.54 174.38 3d8t h PHE 244 N 0.47 0.29 -0.29 5.60 3.57 -0.91 -0.97 116.94 124.69 3d8t h PHE 244 Ca 0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3d8t h PHE 244 Cb 0.68 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3d8t h PHE 244 CO 0.02 0.16 0.09 0.87 -2.23 0.00 0.00 178.31 177.23 3d8t h LYS 245 N 0.32 0.21 -0.26 1.11 1.57 -1.06 -0.80 116.57 117.66 3d8t h LYS 245 Ca 0.13 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3d8t h LYS 245 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3d8t h LYS 245 CO -0.08 0.14 0.05 -0.09 -0.57 0.00 0.00 179.45 178.90 3d8t h ARG 246 N 0.21 0.15 -0.44 3.15 2.43 -1.15 -1.84 114.38 116.90 3d8t h ARG 246 Ca 0.13 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3d8t h ARG 246 Cb 0.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3d8t h ARG 246 CO -0.14 0.10 0.29 0.00 -1.51 0.00 0.00 179.97 178.71 3d8t h ALA 247 N 1.19 1.80 -0.44 2.80 0.00 -0.71 -0.19 119.26 123.71 3d8t h ALA 247 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3d8t h ALA 247 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d8t h ALA 247 CO -0.15 0.15 -0.15 -0.07 0.00 0.00 0.00 179.25 179.02 3d8t h LEU 248 N 0.49 0.89 -1.15 0.00 3.38 -0.77 -2.75 115.31 115.40 3d8t h LEU 248 Ca 0.18 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3d8t h LEU 248 Cb 0.10 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3d8t h LEU 248 CO -0.04 1.07 0.59 1.56 0.09 0.00 0.00 178.44 181.71 3d8t h GLN 249 N 0.71 0.95 0.00 1.13 4.20 -0.23 -2.57 115.11 119.30 3d8t h GLN 249 Ca 0.11 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3d8t h GLN 249 Cb 0.71 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3d8t h GLN 249 CO 0.05 0.63 -0.15 0.87 -0.67 0.00 0.00 178.83 179.57 3d8t h LYS 250 N 0.98 0.00 -0.02 1.46 1.57 -1.22 -3.52 116.57 115.82 3d8t h LYS 250 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3d8t h LYS 250 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3d8t h LYS 250 CO -0.16 0.15 0.00 -0.85 -0.57 0.00 0.00 179.45 178.01