#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da1 s SER 3 N 0.00 4.67 0.00 -2.13 1.04 -1.22 -3.60 113.70 112.46 3da1 s SER 3 Ca 0.00 -0.54 0.11 0.00 0.48 0.00 0.00 55.95 56.00 3da1 s SER 3 Cb 0.00 -0.93 0.38 0.00 0.10 0.00 0.00 66.02 65.58 3da1 s SER 3 CO 0.00 0.03 1.29 0.00 0.98 0.00 0.00 173.24 175.54 3da1 n ALA 4 N -0.63 2.48 0.67 5.32 0.00 -0.38 -3.15 120.51 124.82 3da1 n ALA 4 Ca -0.08 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 52.98 3da1 n ALA 4 Cb 0.58 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 19.02 3da1 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3da1 n LYS 5 N 0.23 1.60 -0.06 0.00 5.02 -1.26 -4.41 118.16 119.28 3da1 n LYS 5 Ca 0.11 -0.96 0.08 0.00 -2.02 0.00 0.00 58.31 55.51 3da1 n LYS 5 Cb 0.23 -1.26 0.11 0.00 -0.02 0.00 0.00 35.03 34.09 3da1 n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3da1 n LYS 6 N 0.14 1.66 -0.24 1.97 5.02 -1.19 -4.83 118.16 120.70 3da1 n LYS 6 Ca 0.07 -2.33 0.03 0.00 -2.02 0.00 0.00 58.31 54.05 3da1 n LYS 6 Cb 0.34 -1.39 0.11 0.00 -0.02 0.00 0.00 35.03 34.08 3da1 n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3da1 h ARG 7 N 0.00 0.06 -0.75 1.97 3.08 -1.77 0.13 114.38 117.09 3da1 h ARG 7 Ca 0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3da1 h ARG 7 Cb 0.89 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 3da1 h ARG 7 CO 0.00 0.04 0.49 -0.44 -1.07 0.00 0.00 179.97 178.99 3da1 h ASP 8 N 0.06 0.70 1.42 7.04 5.19 -1.95 0.68 116.42 129.57 3da1 h ASP 8 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3da1 h ASP 8 Cb 0.60 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3da1 h ASP 8 CO -0.66 0.45 0.00 0.50 -3.12 0.00 0.00 179.24 176.41 3da1 h LYS 9 N 0.80 0.00 0.00 3.56 3.64 -1.21 -2.59 116.57 120.77 3da1 h LYS 9 Ca 0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3da1 h LYS 9 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3da1 h LYS 9 CO -0.11 0.00 -1.69 0.00 -2.27 0.00 0.00 179.45 175.38 3da1 h ILE 11 N 0.00 1.73 0.00 0.00 2.04 0.25 -3.24 117.51 118.30 3da1 h ILE 11 Ca -0.01 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.47 3da1 h ILE 11 Cb 1.02 3.35 0.00 0.00 -0.74 0.00 0.00 36.82 40.45 3da1 h ILE 11 CO 0.00 0.63 0.00 0.61 0.00 0.00 0.00 178.15 179.39 3da1 n GLY 12 N 1.62 -0.96 1.52 5.37 0.00 -0.99 -2.34 105.19 109.42 3da1 n GLY 12 Ca -0.11 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.91 3da1 n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3da1 n GLU 13 N -0.64 3.83 -0.02 1.61 2.13 -1.22 -4.01 120.64 122.32 3da1 n GLU 13 Ca 0.07 -2.41 0.00 0.00 0.66 0.00 0.00 57.16 55.48 3da1 n GLU 13 Cb 0.03 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.72 3da1 n GLU 13 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3da1 n SER 15 N 0.58 0.00 0.05 4.31 2.88 -0.99 -3.63 113.62 116.83 3da1 n SER 15 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3da1 n SER 15 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 3da1 n SER 15 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3da1 n GLU 16 N 0.00 0.00 -2.48 -1.46 2.13 -1.26 -4.98 120.64 112.59 3da1 n GLU 16 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3da1 n GLU 16 Cb 0.00 -0.24 -0.02 0.00 0.27 0.00 0.00 31.44 31.45 3da1 n GLU 16 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3da1 s LYS 17 N -1.67 4.20 0.15 5.31 -2.85 -1.24 -4.96 119.74 118.69 3da1 s LYS 17 Ca 0.00 1.55 -0.32 0.00 -1.00 0.00 0.00 55.97 56.20 3da1 s LYS 17 Cb 0.00 -3.75 -0.12 0.00 -2.06 0.00 0.00 37.83 31.90 3da1 s LYS 17 CO 0.00 -0.73 1.76 0.94 0.10 0.00 0.00 175.35 177.41 3da1 n GLN 18 N 6.62 2.66 -3.22 1.78 0.00 -1.26 -4.95 117.38 119.00 3da1 n GLN 18 Ca 0.14 0.96 -0.39 0.00 -0.00 0.00 0.00 57.00 57.71 3da1 n GLN 18 Cb 0.45 -2.82 -0.06 0.00 0.00 0.00 0.00 30.24 27.82 3da1 n GLN 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3da1 s LEU 19 N 1.92 4.51 0.05 1.69 1.02 -1.20 -4.98 118.68 121.69 3da1 s LEU 19 Ca 0.79 1.29 -0.15 0.00 0.02 0.00 0.00 54.13 56.08 3da1 s LEU 19 Cb -0.53 -2.95 -0.28 0.00 0.02 0.00 0.00 46.19 42.45 3da1 s LEU 19 CO 0.36 0.23 1.11 0.44 0.02 0.00 0.00 176.35 178.51 3da1 h ASP 20 N 4.77 0.86 -3.71 2.29 3.45 -1.57 0.36 116.42 122.88 3da1 h ASP 20 Ca -0.48 -0.81 -0.29 0.00 0.43 0.00 0.00 57.03 55.88 3da1 h ASP 20 Cb 1.21 -0.27 -0.30 0.00 -0.56 0.00 0.00 39.33 39.41 3da1 h ASP 20 CO 0.65 1.57 -0.74 -0.22 -1.57 0.00 0.00 179.24 178.93 3da1 s LEU 21 N -7.96 1.74 -0.13 1.55 2.96 -0.88 0.18 118.68 116.14 3da1 s LEU 21 Ca -0.10 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3da1 s LEU 21 Cb 0.05 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.62 3da1 s LEU 21 CO 0.92 -0.01 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.60 3da1 s LEU 22 N 0.28 1.50 -0.11 -0.68 2.96 0.01 0.60 118.68 123.25 3da1 s LEU 22 Ca -0.03 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3da1 s LEU 22 Cb -0.05 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3da1 s LEU 22 CO -0.01 -0.07 -0.10 0.54 -1.32 0.00 0.00 176.35 175.39 3da1 s VAL 23 N 1.47 3.35 -0.40 1.68 0.11 -0.25 -0.66 120.40 125.69 3da1 s VAL 23 Ca 0.03 -0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 58.32 3da1 s VAL 23 Cb -0.13 -2.39 0.01 0.00 -1.53 0.00 0.00 36.38 32.34 3da1 s VAL 23 CO -0.08 0.55 0.45 -0.63 -3.33 0.00 0.00 175.10 172.06 3da1 s ILE 24 N -0.11 5.06 0.00 7.04 -1.09 0.19 -1.67 121.20 130.63 3da1 s ILE 24 Ca -0.00 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 3da1 s ILE 24 Cb -0.13 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3da1 s ILE 24 CO 0.03 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 173.98 3da1 n GLY 25 N 5.04 3.60 1.98 6.18 0.00 -0.46 -0.49 105.19 121.04 3da1 n GLY 25 Ca -0.07 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 3da1 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3da1 n GLY 26 N 0.00 3.47 0.70 -0.02 0.00 -1.26 -3.92 105.19 104.16 3da1 n GLY 26 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 3da1 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3da1 n GLY 27 N 0.02 -1.83 0.26 -0.02 0.00 -1.26 -1.78 105.19 100.57 3da1 n GLY 27 Ca 0.38 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 3da1 n GLY 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3da1 h ILE 28 N -1.43 1.24 -0.02 -0.61 6.09 -1.91 -1.64 117.51 119.22 3da1 h ILE 28 Ca -0.08 -1.04 -0.01 0.00 -1.37 0.00 0.00 64.86 62.36 3da1 h ILE 28 Cb 0.23 1.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.64 3da1 h ILE 28 CO 0.05 0.34 -0.02 0.74 -3.07 0.00 0.00 178.15 176.20 3da1 h THR 29 N 0.50 1.35 -0.19 2.19 2.02 -1.92 0.18 112.91 117.05 3da1 h THR 29 Ca 0.09 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3da1 h THR 29 Cb 0.51 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3da1 h THR 29 CO 0.03 0.28 0.12 1.23 0.37 0.00 0.00 175.52 177.55 3da1 h GLY 30 N -0.37 0.27 1.02 2.16 0.00 -1.65 0.12 103.07 104.62 3da1 h GLY 30 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3da1 h GLY 30 CO 0.00 0.10 0.55 0.00 0.00 0.00 0.00 176.54 177.19 3da1 h ALA 31 N 1.06 1.20 -0.46 3.60 0.00 -1.34 0.50 119.26 123.82 3da1 h ALA 31 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3da1 h ALA 31 Cb -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3da1 h ALA 31 CO -0.01 0.67 0.26 0.78 0.00 0.00 0.00 179.25 180.95 3da1 h GLY 32 N 1.30 0.64 0.75 0.00 0.00 0.37 -0.14 103.07 105.99 3da1 h GLY 32 Ca 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3da1 h GLY 32 CO -0.06 0.17 -0.04 -2.22 0.00 0.00 0.00 176.54 174.39 3da1 h ILE 33 N 0.53 1.29 -0.46 2.60 1.08 -0.38 -2.52 117.51 119.65 3da1 h ILE 33 Ca 0.18 -1.00 0.09 0.00 -0.39 0.00 0.00 64.86 63.75 3da1 h ILE 33 Cb 0.03 1.68 -0.10 0.00 -3.07 0.00 0.00 36.82 35.36 3da1 h ILE 33 CO -0.09 0.29 -0.21 0.00 -0.69 0.00 0.00 178.15 177.45 3da1 h ALA 34 N 0.70 0.13 0.62 1.87 0.00 -0.53 0.16 119.26 122.21 3da1 h ALA 34 Ca 0.03 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3da1 h ALA 34 Cb 0.47 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3da1 h ALA 34 CO 0.01 -0.55 -0.30 1.25 0.00 0.00 0.00 179.25 179.66 3da1 h LEU 35 N -0.11 -0.71 -0.25 0.00 5.85 -1.02 -1.67 115.31 117.40 3da1 h LEU 35 Ca 0.22 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3da1 h LEU 35 Cb 0.45 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3da1 h LEU 35 CO -0.54 -0.42 -0.10 -0.78 -0.34 0.00 0.00 178.44 176.27 3da1 h ASP 36 N -0.97 -0.34 -0.46 1.25 3.58 -1.15 -0.84 116.42 117.49 3da1 h ASP 36 Ca -0.09 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.50 3da1 h ASP 36 Cb 0.68 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 3da1 h ASP 36 CO 0.14 -0.13 0.22 0.00 -2.88 0.00 0.00 179.24 176.59 3da1 h ALA 37 N 1.17 0.57 -0.99 -0.78 0.00 -0.74 -2.46 119.26 116.03 3da1 h ALA 37 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3da1 h ALA 37 Cb 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3da1 h ALA 37 CO -0.29 -0.15 0.66 0.37 0.00 0.00 0.00 179.25 179.84 3da1 h GLN 38 N 0.43 1.27 -0.56 0.00 5.75 -0.66 -1.93 115.11 119.41 3da1 h GLN 38 Ca 0.20 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3da1 h GLN 38 Cb 0.13 -0.29 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3da1 h GLN 38 CO -0.16 0.84 0.00 1.33 -2.65 0.00 0.00 178.83 178.19 3da1 n VAL 39 N -4.41 0.11 -0.29 2.39 0.24 -0.38 -2.48 118.33 113.51 3da1 n VAL 39 Ca 0.13 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3da1 n VAL 39 Cb 0.05 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 3da1 n VAL 39 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3da1 n ARG 40 N -0.15 0.76 -0.41 7.34 1.74 -0.78 -4.88 116.66 120.27 3da1 n ARG 40 Ca 0.01 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 3da1 n ARG 40 Cb 0.18 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3da1 n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3da1 n GLY 41 N -0.18 0.72 3.46 -0.13 0.00 -1.03 -4.83 105.19 103.19 3da1 n GLY 41 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3da1 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3da1 s ILE 42 N -2.68 4.35 -0.46 -0.61 1.01 -0.85 -4.96 121.20 117.00 3da1 s ILE 42 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 3da1 s ILE 42 Cb 0.00 -4.72 -0.10 0.00 0.01 0.00 0.00 42.46 37.65 3da1 s ILE 42 CO 0.00 -1.50 2.35 1.67 0.00 0.00 0.00 174.94 177.46 3da1 n GLN 43 N 7.62 1.11 -4.12 2.79 -0.06 -1.26 -3.68 117.38 119.77 3da1 n GLN 43 Ca 0.02 0.19 -0.31 0.00 -2.00 0.00 0.00 57.00 54.90 3da1 n GLN 43 Cb 0.46 -2.89 -0.07 0.00 -4.06 0.00 0.00 30.24 23.68 3da1 n GLN 43 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3da1 s THR 44 N 9.68 4.36 0.11 1.69 2.01 -1.26 -1.40 115.64 130.82 3da1 s THR 44 Ca 1.07 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 62.43 3da1 s THR 44 Cb -0.53 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3da1 s THR 44 CO 0.37 0.21 -0.26 -0.83 -0.69 0.00 0.00 174.62 173.42 3da1 s GLY 45 N -2.10 1.48 -0.02 4.40 0.00 0.20 -2.46 107.32 108.82 3da1 s GLY 45 Ca 0.25 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.60 3da1 s GLY 45 CO 0.17 -1.36 -0.05 -2.27 0.00 0.00 0.00 173.10 169.60 3da1 s LEU 46 N -1.89 1.67 -0.16 0.66 0.20 -0.21 -1.09 118.68 117.86 3da1 s LEU 46 Ca 0.12 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.85 3da1 s LEU 46 Cb -0.10 -0.34 0.02 0.00 -0.43 0.00 0.00 46.19 45.34 3da1 s LEU 46 CO 0.05 0.01 -0.16 0.68 -0.29 0.00 0.00 176.35 176.63 3da1 s VAL 47 N 0.37 1.78 0.00 1.68 -7.23 -0.67 -1.79 120.40 114.55 3da1 s VAL 47 Ca -0.04 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3da1 s VAL 47 Cb -0.08 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3da1 s VAL 47 CO -0.00 0.47 0.00 1.21 -0.31 0.00 0.00 175.10 176.47 3da1 n GLU 48 N 4.70 2.51 0.00 4.82 4.07 0.01 -1.36 120.64 135.40 3da1 n GLU 48 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 3da1 n GLU 48 Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 3da1 n GLU 48 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3da1 n ASN 50 N -0.90 0.00 -4.76 4.31 3.02 -1.26 0.16 115.26 115.83 3da1 n ASN 50 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 3da1 n ASN 50 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3da1 n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3da1 s ASP 51 N -1.41 5.29 0.32 6.41 2.15 -1.26 0.85 116.67 129.02 3da1 s ASP 51 Ca 0.00 -0.24 -0.29 0.00 0.43 0.00 0.00 52.55 52.45 3da1 s ASP 51 Cb 0.00 -1.30 -0.11 0.00 -0.30 0.00 0.00 42.92 41.21 3da1 s ASP 51 CO 0.00 0.05 1.51 -0.36 -0.17 0.00 0.00 175.17 176.20 3da1 s PHE 52 N -1.83 2.77 0.00 -5.34 0.08 -1.26 -0.95 117.98 111.45 3da1 s PHE 52 Ca 0.30 1.00 0.00 0.00 0.12 0.00 0.00 56.93 58.36 3da1 s PHE 52 Cb -0.09 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.38 3da1 s PHE 52 CO 0.22 -3.09 0.00 0.00 -0.10 0.00 0.00 175.22 172.26 3da1 n ALA 53 N 1.53 0.00 0.31 5.36 0.00 -0.73 -4.83 120.51 122.15 3da1 n ALA 53 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.68 3da1 n ALA 53 Cb 0.39 -0.81 0.97 0.00 0.00 0.00 0.00 19.45 20.00 3da1 n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3da1 h SER 54 N 0.00 0.00 -0.00 0.00 4.64 -1.34 -3.04 113.55 113.81 3da1 h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3da1 h SER 54 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3da1 h SER 54 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3da1 n GLY 55 N -0.78 0.88 0.34 -0.77 0.00 -1.26 -4.80 105.19 98.80 3da1 n GLY 55 Ca -0.02 -1.50 0.18 0.00 0.00 0.00 0.00 46.02 44.69 3da1 n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3da1 h THR 56 N 0.00 0.09 0.00 2.61 2.02 -1.87 -2.34 112.91 113.41 3da1 h THR 56 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3da1 h THR 56 Cb 0.00 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3da1 h THR 56 CO 0.00 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.69 3da1 n SER 57 N -3.12 0.00 0.00 4.18 7.64 -1.26 -1.36 113.62 119.70 3da1 n SER 57 Ca -0.01 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.13 3da1 n SER 57 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 3da1 n SER 57 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3da1 n SER 58 N -0.80 1.19 -1.83 6.43 3.41 -0.88 -2.76 113.62 118.38 3da1 n SER 58 Ca 0.08 -1.57 -0.02 0.00 -0.26 0.00 0.00 58.87 57.09 3da1 n SER 58 Cb 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 3da1 n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3da1 n ARG 59 N -0.29 1.53 -2.63 4.33 3.00 -0.46 -4.89 116.66 117.24 3da1 n ARG 59 Ca 0.00 -3.13 -0.16 0.00 -0.01 0.00 0.00 57.85 54.55 3da1 n ARG 59 Cb 0.33 -1.24 0.05 0.00 0.00 0.00 0.00 32.46 31.59 3da1 n ARG 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3da1 n SER 60 N -0.38 1.73 -0.08 0.55 3.41 -1.24 -4.37 113.62 113.24 3da1 n SER 60 Ca 0.16 -2.23 0.14 0.00 -0.26 0.00 0.00 58.87 56.68 3da1 n SER 60 Cb 0.92 -0.29 0.63 0.00 -0.26 0.00 0.00 64.21 65.21 3da1 n SER 60 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3da1 n THR 61 N -1.92 0.00 -2.91 6.66 -2.24 -1.26 -4.93 114.28 107.68 3da1 n THR 61 Ca 0.11 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 3da1 n THR 61 Cb 0.47 -0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 3da1 n THR 61 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3da1 n LYS 62 N -1.07 -3.75 -3.88 -0.78 4.01 -1.26 -4.95 118.16 106.48 3da1 n LYS 62 Ca 0.14 0.51 -0.35 0.00 -0.51 0.00 0.00 58.31 58.09 3da1 n LYS 62 Cb 0.27 -4.56 -0.13 0.00 -0.51 0.00 0.00 35.03 30.11 3da1 n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3da1 s LEU 63 N -4.40 3.11 -0.72 -0.35 1.43 -1.26 -0.80 118.68 115.69 3da1 s LEU 63 Ca 0.26 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 3da1 s LEU 63 Cb -0.11 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.35 3da1 s LEU 63 CO 0.32 -0.02 1.12 -0.69 0.23 0.00 0.00 176.35 177.31 3da1 s VAL 64 N 1.47 4.08 0.46 -1.59 1.01 -0.45 -4.80 120.40 120.59 3da1 s VAL 64 Ca 0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 3da1 s VAL 64 Cb -0.15 -4.80 -0.07 0.00 0.00 0.00 0.00 36.38 31.36 3da1 s VAL 64 CO -0.00 -1.64 1.25 -1.00 0.00 0.00 0.00 175.10 173.70 3da1 s HIS 65 N 4.71 2.73 -0.06 5.22 0.09 -1.26 -4.19 115.29 122.54 3da1 s HIS 65 Ca 0.29 1.47 0.02 0.00 -0.00 0.00 0.00 55.06 56.84 3da1 s HIS 65 Cb -0.12 -3.55 0.01 0.00 -0.00 0.00 0.00 32.58 28.92 3da1 s HIS 65 CO 0.10 -1.97 -0.10 0.20 -0.00 0.00 0.00 174.74 172.96 3da1 s GLY 66 N -1.09 0.70 0.00 -2.22 0.00 -1.26 -4.78 107.32 98.67 3da1 s GLY 66 Ca 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3da1 s GLY 66 CO 0.42 0.15 0.00 1.55 0.00 0.00 0.00 173.10 175.22 3da1 n VAL 82 N 3.79 0.00 -0.03 1.40 3.14 -1.26 -5.08 118.33 120.30 3da1 n VAL 82 Ca -0.23 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.01 3da1 n VAL 82 Cb 0.52 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.20 3da1 n VAL 82 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3da1 h GLY 83 N 0.00 0.12 1.00 7.55 0.00 -1.99 -1.51 103.07 108.24 3da1 h GLY 83 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3da1 h GLY 83 CO 0.00 0.14 0.37 1.70 0.00 0.00 0.00 176.54 178.75 3da1 h LYS 84 N -0.44 0.79 -0.21 4.80 3.64 -1.98 -2.20 116.57 120.97 3da1 h LYS 84 Ca -0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3da1 h LYS 84 Cb 0.68 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3da1 h LYS 84 CO 0.02 0.55 -0.02 0.93 -2.27 0.00 0.00 179.45 178.66 3da1 h GLU 85 N 0.80 0.31 -0.17 1.90 4.39 -1.95 -1.79 114.58 118.06 3da1 h GLU 85 Ca 0.21 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 3da1 h GLU 85 Cb -0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3da1 h GLU 85 CO -0.04 0.35 -0.30 -0.09 -1.16 0.00 0.00 179.01 177.77 3da1 h ARG 86 N 0.30 0.33 0.47 2.33 2.43 -0.66 -2.77 114.38 116.81 3da1 h ARG 86 Ca 0.07 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3da1 h ARG 86 Cb 0.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3da1 h ARG 86 CO 0.01 0.60 -0.23 0.00 -1.51 0.00 0.00 179.97 178.84 3da1 h ALA 87 N 1.40 -0.63 -0.98 2.80 0.00 -0.96 -2.65 119.26 118.23 3da1 h ALA 87 Ca 0.04 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.96 3da1 h ALA 87 Cb 0.68 0.25 -0.19 0.00 0.00 0.00 0.00 17.79 18.53 3da1 h ALA 87 CO 0.05 -0.69 -0.23 0.82 0.00 0.00 0.00 179.25 179.20 3da1 h ILE 88 N -0.96 0.02 0.37 0.00 1.08 -1.32 0.16 117.51 116.85 3da1 h ILE 88 Ca -0.06 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3da1 h ILE 88 Cb 0.59 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 3da1 h ILE 88 CO 0.11 0.00 -0.18 0.58 -0.69 0.00 0.00 178.15 177.97 3da1 h VAL 89 N 0.00 0.64 0.11 1.67 2.07 -1.49 -2.15 116.25 117.10 3da1 h VAL 89 Ca 0.48 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.96 3da1 h VAL 89 Cb 0.76 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3da1 h VAL 89 CO -1.01 0.01 -0.30 0.22 0.02 0.00 0.00 177.57 176.52 3da1 h TYR 90 N -0.53 -0.80 -0.40 1.57 3.20 -0.44 -2.40 116.97 117.17 3da1 h TYR 90 Ca -0.05 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.87 3da1 h TYR 90 Cb 0.40 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3da1 h TYR 90 CO -0.04 -0.40 0.26 0.93 -1.64 0.00 0.00 178.16 177.27 3da1 h GLU 91 N -0.51 0.41 0.00 1.82 4.39 -0.86 -0.87 114.58 118.97 3da1 h GLU 91 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3da1 h GLU 91 Cb 0.54 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3da1 h GLU 91 CO -0.18 0.27 -0.06 0.09 -1.16 0.00 0.00 179.01 177.97 3da1 n ASN 92 N -4.48 0.72 -2.75 1.42 3.02 -0.81 -3.83 115.26 108.55 3da1 n ASN 92 Ca 0.04 0.52 -0.07 0.00 -0.03 0.00 0.00 54.58 55.04 3da1 n ASN 92 Cb 0.15 -0.67 0.04 0.00 -0.61 0.00 0.00 39.78 38.69 3da1 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3da1 n ALA 93 N -1.76 -1.63 0.21 5.41 0.00 -0.82 -1.20 120.51 120.72 3da1 n ALA 93 Ca 0.06 -1.26 0.09 0.00 0.00 0.00 0.00 53.44 52.32 3da1 n ALA 93 Cb 0.42 -1.47 0.43 0.00 0.00 0.00 0.00 19.45 18.83 3da1 n ALA 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3da1 n PRO 94 N 1.93 0.11 0.04 0.00 -0.04 -0.39 -2.02 135.00 134.63 3da1 n PRO 94 Ca 0.11 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 3da1 n PRO 94 Cb 0.62 -1.81 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 3da1 n PRO 94 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3da1 n HIS 95 N -2.04 0.33 -0.04 0.54 1.44 -1.26 -3.98 115.22 110.20 3da1 n HIS 95 Ca 0.00 0.10 -0.20 0.00 -2.01 0.00 0.00 57.72 55.61 3da1 n HIS 95 Cb 0.08 -0.50 -0.13 0.00 0.12 0.00 0.00 29.99 29.56 3da1 n HIS 95 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3da1 n VAL 96 N -1.88 1.68 -4.91 0.61 0.31 -0.85 -4.73 118.33 108.57 3da1 n VAL 96 Ca 0.04 -0.63 -0.31 0.00 -0.01 0.00 0.00 64.34 63.42 3da1 n VAL 96 Cb 0.40 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.58 3da1 n VAL 96 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3da1 s THR 97 N -2.55 2.66 -0.06 2.52 2.01 -1.16 -2.27 115.64 116.79 3da1 s THR 97 Ca -0.26 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.68 3da1 s THR 97 Cb 0.07 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.58 3da1 s THR 97 CO 0.71 0.48 0.13 0.28 -0.69 0.00 0.00 174.62 175.54 3da1 s THR 98 N -0.78 -0.08 0.32 -0.82 -1.32 0.38 -4.63 115.64 108.71 3da1 s THR 98 Ca 0.12 0.21 -0.27 0.00 -1.21 0.00 0.00 61.69 60.54 3da1 s THR 98 Cb -0.10 -0.23 -0.09 0.00 -1.51 0.00 0.00 72.50 70.56 3da1 s THR 98 CO 0.02 0.09 1.00 -2.16 -2.21 0.00 0.00 174.62 171.35 3da1 s PRO 99 N 1.32 4.55 0.22 7.08 0.04 -1.26 -0.60 135.00 146.35 3da1 s PRO 99 Ca -0.07 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 3da1 s PRO 99 Cb -0.12 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 3da1 s PRO 99 CO -0.06 0.21 0.26 -1.21 0.04 0.00 0.00 177.00 176.25 3da1 s GLU 100 N -1.87 1.35 0.00 4.56 2.02 0.21 -4.91 118.70 120.05 3da1 s GLU 100 Ca 0.49 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.97 3da1 s GLU 100 Cb -0.23 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.34 3da1 s GLU 100 CO 0.30 -0.49 0.00 0.91 0.02 0.00 0.00 175.26 175.99 3da1 n TRP 101 N -0.32 -1.98 -3.19 1.61 7.02 -1.26 0.10 117.44 119.41 3da1 n TRP 101 Ca 0.01 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.53 3da1 n TRP 101 Cb 0.64 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.52 3da1 n TRP 101 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 3da1 s LEU 103 N 0.00 -0.83 -0.47 -0.99 2.96 0.52 -3.13 118.68 116.74 3da1 s LEU 103 Ca 0.00 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 54.38 3da1 s LEU 103 Cb 0.00 1.73 0.09 0.00 0.50 0.00 0.00 46.19 48.50 3da1 s LEU 103 CO 0.00 -0.16 0.37 -0.22 -1.32 0.00 0.00 176.35 175.03 3da1 s LEU 104 N 2.86 5.58 0.92 -0.68 2.96 -0.86 -0.07 118.68 129.38 3da1 s LEU 104 Ca 0.07 -1.48 -0.11 0.00 -0.22 0.00 0.00 54.13 52.39 3da1 s LEU 104 Cb -0.12 -2.12 0.14 0.00 0.50 0.00 0.00 46.19 44.59 3da1 s LEU 104 CO -0.16 -0.65 1.10 -2.84 -1.32 0.00 0.00 176.35 172.49 3da1 s PRO 105 N 1.56 1.05 -0.04 0.98 0.02 -1.25 -2.21 135.00 135.11 3da1 s PRO 105 Ca 0.04 1.19 0.02 0.00 0.02 0.00 0.00 61.00 62.26 3da1 s PRO 105 Cb -0.25 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3da1 s PRO 105 CO 0.04 -2.49 -0.07 0.42 -0.33 0.00 0.00 177.00 174.57 3da1 s ILE 106 N -2.74 0.68 0.47 2.83 -1.09 0.25 -4.85 121.20 116.74 3da1 s ILE 106 Ca 0.65 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 3da1 s ILE 106 Cb -0.21 -0.65 -0.01 0.00 -1.58 0.00 0.00 42.46 40.01 3da1 s ILE 106 CO 0.58 0.24 0.08 -0.36 -1.23 0.00 0.00 174.94 174.26 3da1 s PHE 107 N 0.60 1.79 -1.43 3.97 0.40 -1.26 -0.59 117.98 121.45 3da1 s PHE 107 Ca -0.09 -1.19 -0.11 0.00 -0.60 0.00 0.00 56.93 54.94 3da1 s PHE 107 Cb -0.12 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.13 3da1 s PHE 107 CO 0.01 -0.11 2.31 1.63 0.70 0.00 0.00 175.22 179.75 3da1 n LYS 108 N -1.10 3.46 0.00 0.44 5.02 -1.20 -4.79 118.16 119.99 3da1 n LYS 108 Ca -0.12 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 3da1 n LYS 108 Cb 0.66 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 3da1 n LYS 108 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3da1 n ARG 136 N 4.41 0.00 0.00 1.97 3.00 -1.26 -5.14 116.66 119.63 3da1 n ARG 136 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 3da1 n ARG 136 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.79 3da1 n ARG 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3da1 n TYR 137 N -1.69 0.00 0.00 -0.14 4.01 -0.98 -5.01 117.16 113.36 3da1 n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3da1 n TYR 137 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3da1 n TYR 137 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3da1 n LEU 139 N 0.00 0.00 0.00 7.72 4.77 0.70 -2.24 117.00 127.95 3da1 n LEU 139 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3da1 n LEU 139 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3da1 n LEU 139 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.60 3da1 n ASN 140 N 0.00 0.00 0.27 -1.43 0.23 -1.26 -1.37 115.26 111.70 3da1 n ASN 140 Ca 0.00 -0.83 -0.14 0.00 -0.53 0.00 0.00 54.58 53.08 3da1 n ASN 140 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 3da1 n ASN 140 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3da1 h GLU 141 N 0.00 -0.68 -0.61 -3.83 4.81 -1.85 -1.03 114.58 111.39 3da1 h GLU 141 Ca 0.00 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3da1 h GLU 141 Cb 0.00 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3da1 h GLU 141 CO 0.00 -0.37 0.27 0.87 -0.73 0.00 0.00 179.01 179.04 3da1 h LYS 142 N -1.00 0.47 -0.21 1.92 1.57 -1.94 0.65 116.57 118.02 3da1 h LYS 142 Ca -0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3da1 h LYS 142 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3da1 h LYS 142 CO 0.12 0.31 0.11 1.96 -0.57 0.00 0.00 179.45 181.38 3da1 h GLN 143 N 0.48 0.30 -0.15 3.15 4.20 -1.94 -0.03 115.11 121.12 3da1 h GLN 143 Ca 0.30 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.01 3da1 h GLN 143 Cb 0.31 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3da1 h GLN 143 CO -0.26 0.29 -0.13 1.15 -0.67 0.00 0.00 178.83 179.21 3da1 h THR 144 N 0.22 0.63 -0.01 -0.54 2.02 -0.59 0.62 112.91 115.27 3da1 h THR 144 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3da1 h THR 144 Cb 0.09 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3da1 h THR 144 CO -0.01 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.82 3da1 h LEU 145 N -0.15 0.00 -0.43 2.58 3.38 -0.64 -0.52 115.31 119.53 3da1 h LEU 145 Ca 0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 3da1 h LEU 145 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3da1 h LEU 145 CO -0.24 0.00 -0.77 -0.33 0.09 0.00 0.00 178.44 177.19 3da1 h GLU 146 N 0.00 0.19 0.36 1.13 5.08 0.10 -0.89 114.58 120.55 3da1 h GLU 146 Ca 0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3da1 h GLU 146 Cb 0.02 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3da1 h GLU 146 CO -0.00 0.87 -0.17 0.87 -1.00 0.00 0.00 179.01 179.58 3da1 h LYS 147 N 0.12 -0.47 -4.12 2.33 1.79 0.54 -3.39 116.57 113.37 3da1 h LYS 147 Ca -0.03 0.03 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 3da1 h LYS 147 Cb 1.35 0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 31.71 3da1 h LYS 147 CO 0.12 -0.15 -0.72 -2.00 -1.08 0.00 0.00 179.45 175.62 3da1 s GLU 148 N -4.43 1.30 0.00 3.15 2.56 -0.73 -4.75 118.70 115.80 3da1 s GLU 148 Ca -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 54.97 53.10 3da1 s GLU 148 Cb 0.02 -2.82 0.00 0.00 2.00 0.00 0.00 34.13 33.33 3da1 s GLU 148 CO 0.50 -0.99 0.45 -0.35 -0.56 0.00 0.00 175.26 174.31 3da1 n PRO 149 N 4.25 0.67 -0.00 4.30 -0.04 -0.34 -2.46 135.00 141.38 3da1 n PRO 149 Ca 0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 3da1 n PRO 149 Cb 0.40 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 3da1 n PRO 149 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3da1 n LEU 150 N -0.06 0.30 -4.66 1.53 7.94 -1.26 -5.04 117.00 115.75 3da1 n LEU 150 Ca 0.00 -0.33 -0.34 0.00 -1.11 0.00 0.00 56.01 54.22 3da1 n LEU 150 Cb 0.11 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.17 3da1 n LEU 150 CO 0.00 0.07 0.66 0.18 -1.11 0.00 0.00 177.39 177.20 3da1 n LEU 151 N -1.43 4.03 -4.71 -1.96 4.77 -1.03 -4.53 117.00 112.15 3da1 n LEU 151 Ca 0.01 0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 56.18 3da1 n LEU 151 Cb 0.18 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.78 3da1 n LEU 151 CO 0.20 -1.85 1.19 -0.60 -1.33 0.00 0.00 177.39 175.00 3da1 s ARG 152 N -3.80 4.25 -0.02 3.23 3.52 -1.26 -4.93 118.95 119.94 3da1 s ARG 152 Ca 0.73 2.22 -0.20 0.00 -0.13 0.00 0.00 55.73 58.35 3da1 s ARG 152 Cb -0.31 -3.34 -0.29 0.00 -1.56 0.00 0.00 34.95 29.45 3da1 s ARG 152 CO 0.51 -0.58 0.98 0.87 -0.81 0.00 0.00 175.30 176.26 3da1 h LYS 153 N 7.29 0.38 -6.01 5.12 1.57 -1.98 -3.40 116.57 119.54 3da1 h LYS 153 Ca -0.42 -0.56 -0.69 0.00 -1.87 0.00 0.00 60.65 57.11 3da1 h LYS 153 Cb 1.20 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 3da1 h LYS 153 CO 0.90 1.24 1.36 -1.91 -0.57 0.00 0.00 179.45 180.47 3da1 n GLU 154 N -4.09 0.98 -0.88 3.15 0.00 -1.26 -1.23 120.64 117.31 3da1 n GLU 154 Ca -0.13 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.31 3da1 n GLU 154 Cb 0.82 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.94 3da1 n GLU 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3da1 n ASN 155 N 9.16 -1.28 -4.63 4.31 5.03 -1.26 -4.97 115.26 121.62 3da1 n ASN 155 Ca 0.41 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.44 3da1 n ASN 155 Cb 0.19 -1.07 -0.03 0.00 -1.02 0.00 0.00 39.78 37.86 3da1 n ASN 155 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3da1 s LEU 156 N 0.00 3.89 0.04 3.41 0.20 -0.37 -3.27 118.68 122.58 3da1 s LEU 156 Ca 0.00 2.20 0.21 0.00 0.69 0.00 0.00 54.13 57.23 3da1 s LEU 156 Cb 0.00 -3.52 -0.19 0.00 -0.43 0.00 0.00 46.19 42.05 3da1 s LEU 156 CO 0.00 -1.54 0.67 1.17 -0.29 0.00 0.00 176.35 176.36 3da1 n LYS 157 N 8.18 0.64 0.00 1.98 4.81 0.24 -4.76 118.16 129.25 3da1 n LYS 157 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3da1 n LYS 157 Cb 0.43 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3da1 n LYS 157 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3da1 n GLY 158 N 1.32 -0.04 0.00 3.14 0.00 -1.11 -3.28 105.19 105.22 3da1 n GLY 158 Ca -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3da1 n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3da1 n GLY 159 N 0.00 -0.58 3.00 -0.02 0.00 -0.47 0.87 105.19 108.00 3da1 n GLY 159 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 3da1 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3da1 s GLY 160 N 0.00 0.67 -0.14 -0.02 0.00 -0.94 -0.21 107.32 106.68 3da1 s GLY 160 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.37 3da1 s GLY 160 CO 0.00 0.09 -0.13 -1.50 0.00 0.00 0.00 173.10 171.56 3da1 s ILE 161 N 0.54 3.01 0.31 0.90 2.07 -0.95 -2.03 121.20 125.05 3da1 s ILE 161 Ca -0.10 -0.67 0.03 0.00 -1.41 0.00 0.00 60.65 58.50 3da1 s ILE 161 Cb -0.13 -2.27 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 3da1 s ILE 161 CO 0.02 0.52 0.15 -0.72 -1.91 0.00 0.00 174.94 173.00 3da1 s TYR 162 N 0.49 1.61 -0.19 3.50 1.13 -1.26 -2.31 117.35 120.32 3da1 s TYR 162 Ca -0.09 -1.35 -0.10 0.00 -1.41 0.00 0.00 57.07 54.12 3da1 s TYR 162 Cb -0.16 -0.88 -0.05 0.00 -1.10 0.00 0.00 41.96 39.78 3da1 s TYR 162 CO 0.04 -0.50 0.13 0.54 -2.51 0.00 0.00 175.55 173.26 3da1 s VAL 163 N -3.59 5.42 -0.02 -3.49 0.11 -1.26 -4.30 120.40 113.28 3da1 s VAL 163 Ca 0.35 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.62 3da1 s VAL 163 Cb 0.05 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.44 3da1 s VAL 163 CO 0.17 0.46 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.62 3da1 s GLU 164 N 0.19 0.75 -0.17 1.54 2.56 0.11 -4.92 118.70 118.77 3da1 s GLU 164 Ca 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 54.97 54.50 3da1 s GLU 164 Cb -0.11 -0.72 -0.00 0.00 2.00 0.00 0.00 34.13 35.30 3da1 s GLU 164 CO -0.01 0.13 0.99 0.71 -0.56 0.00 0.00 175.26 176.52 3da1 s TYR 165 N 0.03 3.43 -0.18 5.30 1.51 -1.26 -0.62 117.35 125.56 3da1 s TYR 165 Ca -0.00 1.49 -0.06 0.00 -1.01 0.00 0.00 57.07 57.48 3da1 s TYR 165 Cb -0.06 -3.19 -0.03 0.00 -0.11 0.00 0.00 41.96 38.57 3da1 s TYR 165 CO -0.00 -0.33 0.03 0.50 -1.11 0.00 0.00 175.55 174.63 3da1 s ARG 166 N 2.52 3.83 0.09 -0.62 3.52 0.23 -1.34 118.95 127.19 3da1 s ARG 166 Ca 0.45 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.63 3da1 s ARG 166 Cb -0.17 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.11 3da1 s ARG 166 CO 0.12 0.21 0.05 -2.37 -0.81 0.00 0.00 175.30 172.51 3da1 n THR 167 N 3.68 0.00 -3.71 4.11 5.66 0.02 -0.47 114.28 123.57 3da1 n THR 167 Ca -0.17 -0.39 -0.28 0.00 -3.05 0.00 0.00 64.05 60.15 3da1 n THR 167 Cb 0.52 -0.28 -0.12 0.00 -1.55 0.00 0.00 70.33 68.90 3da1 n THR 167 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3da1 s ASP 168 N -1.55 3.55 0.35 1.09 -1.08 -0.96 -4.84 116.67 113.24 3da1 s ASP 168 Ca 0.04 -3.14 0.16 0.00 -0.52 0.00 0.00 52.55 49.09 3da1 s ASP 168 Cb -0.00 -1.12 1.13 0.00 -1.46 0.00 0.00 42.92 41.46 3da1 s ASP 168 CO 0.02 -0.18 1.65 -2.24 0.52 0.00 0.00 175.17 174.94 3da1 h ASP 169 N 6.05 0.49 -0.12 -0.34 2.03 -1.89 0.23 116.42 122.87 3da1 h ASP 169 Ca 0.10 0.20 -0.13 0.00 -0.73 0.00 0.00 57.03 56.47 3da1 h ASP 169 Cb 0.87 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 3da1 h ASP 169 CO 0.54 -0.17 -0.43 0.00 -1.03 0.00 0.00 179.24 178.16 3da1 h ALA 170 N 1.86 0.21 0.00 4.15 0.00 -1.86 -2.31 119.26 121.32 3da1 h ALA 170 Ca 0.75 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3da1 h ALA 170 Cb 1.76 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3da1 h ALA 170 CO -0.62 0.34 -0.62 -0.09 0.00 0.00 0.00 179.25 178.26 3da1 h ARG 171 N 0.10 0.00 0.36 0.00 2.43 -1.48 -1.70 114.38 114.10 3da1 h ARG 171 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3da1 h ARG 171 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3da1 h ARG 171 CO 0.09 0.62 -0.17 1.25 -1.51 0.00 0.00 179.97 180.25 3da1 h LEU 172 N 0.00 -0.41 -0.58 3.80 5.85 -0.61 0.51 115.31 123.86 3da1 h LEU 172 Ca -0.01 -0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.74 3da1 h LEU 172 Cb 1.14 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 3da1 h LEU 172 CO 0.08 -0.15 -0.00 0.74 -0.34 0.00 0.00 178.44 178.77 3da1 h THR 173 N -0.67 0.52 -0.23 1.05 2.02 -1.34 -2.32 112.91 111.95 3da1 h THR 173 Ca -0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3da1 h THR 173 Cb 0.48 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3da1 h THR 173 CO 0.08 0.02 0.09 0.25 0.37 0.00 0.00 175.52 176.34 3da1 h LEU 174 N 0.11 0.31 -2.27 2.58 5.85 -1.03 -2.99 115.31 117.87 3da1 h LEU 174 Ca 0.30 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3da1 h LEU 174 Cb 0.48 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3da1 h LEU 174 CO -0.50 0.39 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.63 3da1 h GLU 175 N 0.22 0.00 -0.94 1.25 4.39 -0.37 0.27 114.58 119.40 3da1 h GLU 175 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3da1 h GLU 175 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3da1 h GLU 175 CO -0.01 0.03 0.00 -0.89 -1.16 0.00 0.00 179.01 176.98 3da1 n ILE 176 N -3.94 0.27 0.00 3.13 5.41 -0.96 -1.38 119.36 121.89 3da1 n ILE 176 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3da1 n ILE 176 Cb 0.12 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 3da1 n ILE 176 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3da1 n LYS 178 N 0.26 0.00 -0.04 0.38 5.02 0.95 -0.89 118.16 123.84 3da1 n LYS 178 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3da1 n LYS 178 Cb 0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.20 3da1 n LYS 178 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3da1 h GLU 179 N 0.00 0.64 0.10 1.97 4.57 -1.70 -0.63 114.58 119.52 3da1 h GLU 179 Ca 0.00 -0.49 0.01 0.00 -1.18 0.00 0.00 59.36 57.70 3da1 h GLU 179 Cb 0.00 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3da1 h GLU 179 CO 0.00 1.11 -0.17 0.00 -1.18 0.00 0.00 179.01 178.77 3da1 h ALA 180 N 0.53 -0.28 -0.35 2.92 0.00 -1.28 -1.90 119.26 118.89 3da1 h ALA 180 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3da1 h ALA 180 Cb 1.19 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3da1 h ALA 180 CO 0.12 -0.69 0.19 0.28 0.00 0.00 0.00 179.25 179.15 3da1 h VAL 181 N -0.33 1.01 -0.46 0.00 2.07 -1.70 -1.60 116.25 115.25 3da1 h VAL 181 Ca 0.02 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.54 3da1 h VAL 181 Cb 0.34 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3da1 h VAL 181 CO -0.09 0.07 0.42 0.00 0.02 0.00 0.00 177.57 177.99 3da1 h ALA 182 N 1.17 2.24 -0.58 1.67 0.00 -0.74 -0.37 119.26 122.64 3da1 h ALA 182 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3da1 h ALA 182 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3da1 h ALA 182 CO -0.08 -0.66 0.00 0.54 0.00 0.00 0.00 179.25 179.05 3da1 n ARG 183 N -3.92 2.48 0.00 0.00 1.74 -0.65 -4.92 116.66 111.39 3da1 n ARG 183 Ca 0.08 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 3da1 n ARG 183 Cb 0.62 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3da1 n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3da1 n GLY 184 N 1.52 1.59 3.77 -0.13 0.00 -0.15 -4.95 105.19 106.84 3da1 n GLY 184 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3da1 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da1 s ALA 185 N -1.62 3.25 -0.14 4.61 0.00 -0.92 -4.83 121.76 122.11 3da1 s ALA 185 Ca 0.00 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 3da1 s ALA 185 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 3da1 s ALA 185 CO 0.00 -0.14 0.01 0.08 0.00 0.00 0.00 175.76 175.72 3da1 s VAL 186 N -1.40 4.37 0.07 0.00 1.01 -1.03 -4.09 120.40 119.33 3da1 s VAL 186 Ca 0.50 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3da1 s VAL 186 Cb -0.27 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3da1 s VAL 186 CO 0.34 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.88 3da1 s ALA 187 N -0.03 0.77 -0.16 5.51 0.00 -1.26 -1.04 121.76 125.55 3da1 s ALA 187 Ca 0.04 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 3da1 s ALA 187 Cb -0.13 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3da1 s ALA 187 CO 0.02 -0.11 0.38 -0.51 0.00 0.00 0.00 175.76 175.54 3da1 s LEU 188 N -2.22 -0.11 0.40 0.00 1.43 -0.74 -4.97 118.68 112.47 3da1 s LEU 188 Ca -0.00 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 3da1 s LEU 188 Cb -0.03 1.22 -0.01 0.00 0.03 0.00 0.00 46.19 47.39 3da1 s LEU 188 CO -0.02 -0.20 0.60 0.54 0.23 0.00 0.00 176.35 177.50 3da1 s ASN 189 N 1.62 5.98 -0.26 2.29 4.22 -1.26 -0.81 114.94 126.72 3da1 s ASN 189 Ca -0.08 0.23 -0.04 0.00 -2.14 0.00 0.00 52.86 50.83 3da1 s ASN 189 Cb -0.09 -1.60 0.01 0.00 1.28 0.00 0.00 41.25 40.84 3da1 s ASN 189 CO -0.12 -0.54 0.17 -1.22 -2.04 0.00 0.00 177.10 173.35 3da1 n TYR 190 N -1.91 -2.86 -3.33 1.54 4.01 0.41 -4.86 117.16 110.15 3da1 n TYR 190 Ca -0.01 1.23 0.02 0.00 -0.16 0.00 0.00 57.90 58.99 3da1 n TYR 190 Cb 0.57 -3.41 -0.04 0.00 -0.31 0.00 0.00 39.34 36.15 3da1 n TYR 190 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3da1 s LYS 192 N -1.59 0.17 -0.33 -0.72 2.20 -0.47 0.06 119.74 119.06 3da1 s LYS 192 Ca 0.07 0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 3da1 s LYS 192 Cb -0.02 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3da1 s LYS 192 CO 0.58 -0.05 1.45 0.08 -0.36 0.00 0.00 175.35 177.05 3da1 s VAL 193 N 2.12 3.90 -0.28 4.02 1.01 -1.26 -0.11 120.40 129.80 3da1 s VAL 193 Ca -0.02 0.97 0.13 0.00 0.00 0.00 0.00 61.98 63.06 3da1 s VAL 193 Cb -0.03 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 3da1 s VAL 193 CO -0.16 -0.54 0.40 -0.62 0.00 0.00 0.00 175.10 174.17 3da1 n GLU 194 N 7.78 1.51 -3.51 2.72 1.02 0.78 -4.99 120.64 125.95 3da1 n GLU 194 Ca 0.17 -0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 3da1 n GLU 194 Cb 0.47 -1.21 -0.05 0.00 -0.02 0.00 0.00 31.44 30.62 3da1 n GLU 194 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3da1 s SER 195 N -2.90 -0.64 0.18 1.62 0.15 -1.24 -5.01 113.70 105.86 3da1 s SER 195 Ca -0.00 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.28 3da1 s SER 195 Cb 0.09 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3da1 s SER 195 CO 0.53 -0.65 0.34 -0.36 1.20 0.00 0.00 173.24 174.30 3da1 s PHE 196 N -1.50 3.48 -0.21 3.44 0.08 -1.26 -0.56 117.98 121.46 3da1 s PHE 196 Ca -0.09 0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.15 3da1 s PHE 196 Cb -0.00 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 3da1 s PHE 196 CO 0.07 0.44 -0.05 0.42 -0.10 0.00 0.00 175.22 176.00 3da1 s ILE 197 N -1.81 3.35 0.21 0.64 1.01 0.70 -4.91 121.20 120.40 3da1 s ILE 197 Ca 0.36 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.58 3da1 s ILE 197 Cb -0.11 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3da1 s ILE 197 CO 0.29 0.44 0.08 -0.31 0.00 0.00 0.00 174.94 175.43 3da1 s TYR 198 N 1.29 2.94 -0.23 3.97 1.51 -1.26 -0.93 117.35 124.63 3da1 s TYR 198 Ca 0.03 -0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 55.91 3da1 s TYR 198 Cb -0.14 -1.37 0.12 0.00 -0.11 0.00 0.00 41.96 40.45 3da1 s TYR 198 CO -0.02 0.54 0.45 0.34 -1.11 0.00 0.00 175.55 175.75 3da1 s ASP 199 N -3.35 -0.35 -1.40 2.29 -1.08 0.19 -4.89 116.67 108.07 3da1 s ASP 199 Ca 0.30 0.87 -0.06 0.00 -0.52 0.00 0.00 52.55 53.14 3da1 s ASP 199 Cb -0.08 1.49 0.03 0.00 -1.46 0.00 0.00 42.92 42.90 3da1 s ASP 199 CO 0.21 -0.25 0.84 0.00 0.52 0.00 0.00 175.17 176.49 3da1 n GLN 200 N 5.40 -5.32 0.00 4.34 6.02 -1.26 -1.13 117.38 125.43 3da1 n GLN 200 Ca -0.07 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 3da1 n GLN 200 Cb 0.50 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.42 3da1 n GLN 200 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3da1 n GLY 201 N -1.64 2.81 3.80 1.08 0.00 -1.26 -5.00 105.19 104.98 3da1 n GLY 201 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3da1 n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da1 s LYS 202 N 0.00 3.19 0.00 1.61 3.01 -0.28 -4.35 119.74 122.92 3da1 s LYS 202 Ca 0.00 -0.35 -0.30 0.00 -1.01 0.00 0.00 55.97 54.31 3da1 s LYS 202 Cb 0.00 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.81 3da1 s LYS 202 CO 0.00 0.70 1.20 0.54 0.51 0.00 0.00 175.35 178.30 3da1 s VAL 203 N -1.08 4.15 0.00 3.17 0.11 -1.07 0.52 120.40 126.20 3da1 s VAL 203 Ca 0.19 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 3da1 s VAL 203 Cb -0.12 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 3da1 s VAL 203 CO 0.09 0.06 0.22 1.33 -3.33 0.00 0.00 175.10 173.47 3da1 n VAL 204 N 4.27 0.00 -3.67 2.04 0.24 -0.11 -4.81 118.33 116.29 3da1 n VAL 204 Ca 0.10 -0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.19 3da1 n VAL 204 Cb 0.46 1.42 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 3da1 n VAL 204 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3da1 s GLY 205 N -0.07 -0.44 0.42 7.63 0.00 -1.18 -0.82 107.32 112.86 3da1 s GLY 205 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.53 3da1 s GLY 205 CO 0.00 1.76 0.05 -1.34 0.00 0.00 0.00 173.10 173.57 3da1 s VAL 206 N -2.02 1.16 -0.19 1.40 -7.23 -0.58 -0.22 120.40 112.73 3da1 s VAL 206 Ca 0.19 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 3da1 s VAL 206 Cb 0.06 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.53 3da1 s VAL 206 CO -0.06 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.89 3da1 s VAL 207 N -3.03 1.86 -0.10 1.32 1.01 0.28 -2.75 120.40 118.99 3da1 s VAL 207 Ca 0.23 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3da1 s VAL 207 Cb 0.05 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3da1 s VAL 207 CO 0.12 0.36 -0.18 0.00 0.00 0.00 0.00 175.10 175.39 3da1 s ALA 208 N 1.34 2.45 -0.26 5.51 0.00 -0.91 -0.16 121.76 129.73 3da1 s ALA 208 Ca 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 3da1 s ALA 208 Cb -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 3da1 s ALA 208 CO -0.10 0.34 0.14 0.21 0.00 0.00 0.00 175.76 176.35 3da1 s LYS 209 N 0.08 3.90 -0.63 0.00 2.20 0.84 -1.31 119.74 124.81 3da1 s LYS 209 Ca -0.08 -0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 54.92 3da1 s LYS 209 Cb -0.15 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 3da1 s LYS 209 CO 0.05 -0.10 1.89 0.34 -0.36 0.00 0.00 175.35 177.17 3da1 s ASP 210 N 1.48 5.22 0.40 1.43 -1.08 0.24 -1.37 116.67 122.99 3da1 s ASP 210 Ca 0.07 0.27 0.25 0.00 -0.52 0.00 0.00 52.55 52.61 3da1 s ASP 210 Cb -0.15 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 40.11 3da1 s ASP 210 CO 0.07 -2.44 1.73 0.03 0.52 0.00 0.00 175.17 175.08 3da1 h ARG 211 N 14.81 0.00 0.00 4.34 3.08 -0.67 1.00 114.38 136.95 3da1 h ARG 211 Ca -0.22 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.52 3da1 h ARG 211 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.15 3da1 h ARG 211 CO 1.21 0.00 -1.85 1.28 -1.07 0.00 0.00 179.97 179.54 3da1 n LEU 212 N -2.40 0.67 -0.00 3.04 4.77 -1.26 -4.46 117.00 117.36 3da1 n LEU 212 Ca -0.02 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.31 3da1 n LEU 212 Cb 0.11 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3da1 n LEU 212 CO 0.11 0.40 -0.17 0.35 -1.33 0.00 0.00 177.39 176.75 3da1 n THR 213 N -2.96 0.00 -0.91 -5.08 -2.24 -0.90 -5.01 114.28 97.16 3da1 n THR 213 Ca -0.20 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3da1 n THR 213 Cb 1.06 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3da1 n THR 213 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3da1 n ASP 214 N -1.29 0.00 -4.86 3.42 -0.08 0.34 -5.04 116.55 109.05 3da1 n ASP 214 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.98 3da1 n ASP 214 Cb 0.10 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.60 3da1 n ASP 214 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3da1 s THR 215 N -3.91 4.16 0.17 5.18 -1.32 -1.24 -4.69 115.64 114.00 3da1 s THR 215 Ca 0.00 0.70 0.08 0.00 -1.21 0.00 0.00 61.69 61.27 3da1 s THR 215 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 3da1 s THR 215 CO 0.00 -0.92 -0.07 -0.89 -2.21 0.00 0.00 174.62 170.53 3da1 s THR 216 N -3.19 3.34 0.24 5.08 2.01 -1.26 0.83 115.64 122.68 3da1 s THR 216 Ca 0.57 -1.57 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 3da1 s THR 216 Cb -0.12 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3da1 s THR 216 CO 0.54 -0.10 0.36 -1.00 -0.69 0.00 0.00 174.62 173.74 3da1 s HIS 217 N -1.68 0.66 -0.03 4.92 3.76 -0.43 -4.95 115.29 117.54 3da1 s HIS 217 Ca 0.25 -0.97 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 3da1 s HIS 217 Cb -0.09 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.52 3da1 s HIS 217 CO 0.16 -0.88 -0.19 0.95 -0.85 0.00 0.00 174.74 173.93 3da1 s THR 218 N -4.02 1.53 -0.04 1.30 -4.23 -1.26 -2.14 115.64 106.79 3da1 s THR 218 Ca 0.28 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 3da1 s THR 218 Cb 0.02 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.57 3da1 s THR 218 CO 0.11 0.44 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.86 3da1 s ILE 219 N -0.22 1.15 0.03 2.99 -1.09 -1.11 -4.74 121.20 118.21 3da1 s ILE 219 Ca 0.02 -0.55 0.05 0.00 -2.23 0.00 0.00 60.65 57.94 3da1 s ILE 219 Cb -0.10 -1.00 -0.03 0.00 -1.58 0.00 0.00 42.46 39.75 3da1 s ILE 219 CO 0.01 0.34 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.63 3da1 s TYR 220 N 0.17 2.72 -0.09 3.97 1.51 -1.26 -1.53 117.35 122.84 3da1 s TYR 220 Ca -0.05 -0.15 -0.21 0.00 -1.01 0.00 0.00 57.07 55.65 3da1 s TYR 220 Cb -0.11 -1.52 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 3da1 s TYR 220 CO 0.02 0.32 0.51 0.00 -1.11 0.00 0.00 175.55 175.29 3da1 s ALA 221 N -0.99 -1.29 0.16 3.71 0.00 -0.00 -3.26 121.76 120.10 3da1 s ALA 221 Ca 0.16 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 3da1 s ALA 221 Cb -0.11 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.78 3da1 s ALA 221 CO 0.07 -0.29 1.73 0.87 0.00 0.00 0.00 175.76 178.14 3da1 h LYS 222 N 4.11 0.80 -5.78 0.00 1.57 0.10 -3.41 116.57 113.96 3da1 h LYS 222 Ca -0.28 -0.13 -0.56 0.00 -1.87 0.00 0.00 60.65 57.80 3da1 h LYS 222 Cb 1.16 -0.14 -0.29 0.00 0.08 0.00 0.00 32.23 33.05 3da1 h LYS 222 CO 0.31 0.68 -0.84 0.15 -0.57 0.00 0.00 179.45 179.18 3da1 s LYS 223 N -5.62 1.49 -0.26 3.15 -0.14 0.13 -4.93 119.74 113.56 3da1 s LYS 223 Ca -0.13 -0.67 0.02 0.00 -1.36 0.00 0.00 55.97 53.83 3da1 s LYS 223 Cb 0.12 -1.45 0.06 0.00 -1.68 0.00 0.00 37.83 34.89 3da1 s LYS 223 CO 0.78 0.40 -0.06 0.08 -0.76 0.00 0.00 175.35 175.78 3da1 s VAL 224 N -0.45 1.83 -0.03 3.17 1.01 -1.26 -0.81 120.40 123.86 3da1 s VAL 224 Ca 0.07 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.43 3da1 s VAL 224 Cb -0.07 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3da1 s VAL 224 CO -0.01 -0.13 0.34 -0.69 0.00 0.00 0.00 175.10 174.61 3da1 s VAL 225 N 1.24 5.15 -0.53 2.92 1.01 0.17 -2.82 120.40 127.53 3da1 s VAL 225 Ca -0.05 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3da1 s VAL 225 Cb -0.19 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.69 3da1 s VAL 225 CO -0.06 0.59 0.33 0.21 0.00 0.00 0.00 175.10 176.16 3da1 s ASN 226 N -1.04 5.17 -0.79 3.32 2.47 0.42 -0.64 114.94 123.86 3da1 s ASN 226 Ca 0.22 -2.54 0.01 0.00 0.42 0.00 0.00 52.86 50.97 3da1 s ASN 226 Cb -0.16 -1.83 0.35 0.00 -1.45 0.00 0.00 41.25 38.17 3da1 s ASN 226 CO 0.11 -0.43 1.55 0.00 -3.72 0.00 0.00 177.10 174.61 3da1 n ALA 227 N 3.89 5.68 0.83 1.71 0.00 0.36 -1.64 120.51 131.34 3da1 n ALA 227 Ca 0.04 -4.48 0.03 0.00 0.00 0.00 0.00 53.44 49.03 3da1 n ALA 227 Cb 0.39 -1.53 0.12 0.00 0.00 0.00 0.00 19.45 18.43 3da1 n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3da1 n ALA 228 N -0.28 2.70 -0.76 0.00 0.00 -1.05 -4.15 120.51 116.97 3da1 n ALA 228 Ca 0.43 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3da1 n ALA 228 Cb 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3da1 n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3da1 n GLY 229 N 0.55 3.14 0.00 0.00 0.00 -1.26 -1.40 105.19 106.22 3da1 n GLY 229 Ca 0.08 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.01 3da1 n GLY 229 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3da1 n PRO 230 N 14.00 0.40 0.00 1.61 -0.04 -1.26 -1.62 135.00 148.09 3da1 n PRO 230 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3da1 n PRO 230 Cb 0.00 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3da1 n PRO 230 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3da1 n TRP 231 N -0.90 0.00 -0.33 0.54 8.01 -0.49 -4.67 117.44 119.59 3da1 n TRP 231 Ca 0.08 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.40 3da1 n TRP 231 Cb 0.04 0.00 0.26 0.00 -2.01 0.00 0.00 31.31 29.60 3da1 n TRP 231 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 3da1 n VAL 232 N -0.12 -0.40 0.26 -0.99 0.31 -0.64 0.26 118.33 117.00 3da1 n VAL 232 Ca 0.08 2.11 0.13 0.00 -0.01 0.00 0.00 64.34 66.65 3da1 n VAL 232 Cb 0.40 -3.06 0.69 0.00 -0.91 0.00 0.00 33.84 30.97 3da1 n VAL 232 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3da1 h ASP 233 N 0.00 0.00 -0.40 4.52 5.19 -1.85 -2.08 116.42 121.79 3da1 h ASP 233 Ca 0.56 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.88 3da1 h ASP 233 Cb 1.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3da1 h ASP 233 CO -0.91 0.13 -0.13 0.74 -3.12 0.00 0.00 179.24 175.95 3da1 h THR 234 N 0.00 1.28 0.00 0.35 2.02 -0.54 -0.34 112.91 115.68 3da1 h THR 234 Ca -0.00 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 3da1 h THR 234 Cb 0.43 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3da1 h THR 234 CO 0.02 0.42 -0.25 -0.07 0.37 0.00 0.00 175.52 176.00 3da1 h LEU 235 N 0.61 0.00 -0.64 2.58 3.38 -1.48 -2.02 115.31 117.73 3da1 h LEU 235 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3da1 h LEU 235 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3da1 h LEU 235 CO 0.05 0.25 -0.54 0.03 0.09 0.00 0.00 178.44 178.32 3da1 h ARG 236 N 0.00 0.00 0.01 1.13 3.08 -0.82 -2.58 114.38 115.20 3da1 h ARG 236 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 3da1 h ARG 236 Cb 0.76 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.81 3da1 h ARG 236 CO 0.03 0.54 -0.97 0.93 -1.07 0.00 0.00 179.97 179.43 3da1 h GLU 237 N 0.00 0.45 0.00 0.04 5.08 -0.47 0.25 114.58 119.93 3da1 h GLU 237 Ca -0.01 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3da1 h GLU 237 Cb 1.13 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3da1 h GLU 237 CO 0.07 1.15 0.00 1.63 -1.00 0.00 0.00 179.01 180.86 3da1 n LYS 238 N -3.75 0.24 0.00 2.33 5.02 -0.82 -1.10 118.16 120.08 3da1 n LYS 238 Ca -0.07 0.12 0.02 0.00 -2.02 0.00 0.00 58.31 56.35 3da1 n LYS 238 Cb 0.85 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.37 3da1 n LYS 238 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3da1 n ASP 239 N -1.31 1.07 -3.70 4.39 2.03 -0.99 -4.35 116.55 113.69 3da1 n ASP 239 Ca 0.08 -1.04 -0.31 0.00 0.52 0.00 0.00 54.79 54.05 3da1 n ASP 239 Cb 0.16 0.28 0.04 0.00 -0.72 0.00 0.00 41.12 40.87 3da1 n ASP 239 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3da1 n ARG 240 N -0.11 -1.12 -0.15 -0.67 1.74 0.22 -4.88 116.66 111.69 3da1 n ARG 240 Ca 0.02 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3da1 n ARG 240 Cb 0.11 -3.87 0.00 0.00 -1.02 0.00 0.00 32.46 27.68 3da1 n ARG 240 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3da1 n SER 241 N -2.55 0.00 -4.58 0.55 3.41 0.62 -4.98 113.62 106.09 3da1 n SER 241 Ca -0.11 -1.22 -0.39 0.00 -0.26 0.00 0.00 58.87 56.89 3da1 n SER 241 Cb 0.59 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3da1 n SER 241 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3da1 s LYS 242 N 0.00 3.58 0.03 4.33 2.20 -1.15 -4.88 119.74 123.85 3da1 s LYS 242 Ca 0.00 -1.71 0.01 0.00 -0.36 0.00 0.00 55.97 53.91 3da1 s LYS 242 Cb 0.00 -5.45 -0.02 0.00 -1.51 0.00 0.00 37.83 30.85 3da1 s LYS 242 CO 0.00 -2.69 -0.06 -1.01 -0.36 0.00 0.00 175.35 171.24 3da1 s HIS 243 N 6.00 0.50 0.00 4.03 3.76 -1.26 -5.02 115.29 123.29 3da1 s HIS 243 Ca 0.57 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 3da1 s HIS 243 Cb 0.02 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.40 3da1 s HIS 243 CO 0.08 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.25 3da1 n GLY 244 N 1.56 1.66 3.64 -2.22 0.00 -1.26 -4.71 105.19 103.87 3da1 n GLY 244 Ca -0.23 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3da1 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da1 s LYS 245 N 0.00 4.10 0.53 1.61 3.01 -1.22 -4.80 119.74 122.97 3da1 s LYS 245 Ca 0.00 1.22 0.01 0.00 -1.01 0.00 0.00 55.97 56.19 3da1 s LYS 245 Cb 0.00 -3.74 0.00 0.00 -1.01 0.00 0.00 37.83 33.09 3da1 s LYS 245 CO 0.00 -0.85 0.05 1.52 0.51 0.00 0.00 175.35 176.58 3da1 s TYR 246 N 3.64 1.73 0.03 3.18 1.13 -1.08 -4.94 117.35 121.03 3da1 s TYR 246 Ca 0.48 -0.99 0.03 0.00 -1.41 0.00 0.00 57.07 55.19 3da1 s TYR 246 Cb -0.14 -1.62 -0.04 0.00 -1.10 0.00 0.00 41.96 39.06 3da1 s TYR 246 CO 0.14 0.10 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.73 3da1 s LEU 247 N -3.96 3.28 -0.09 -3.49 1.02 -1.26 -1.25 118.68 112.93 3da1 s LEU 247 Ca 0.05 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.08 3da1 s LEU 247 Cb -0.00 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.30 3da1 s LEU 247 CO 0.03 0.25 -0.17 -0.54 0.02 0.00 0.00 176.35 175.94 3da1 s LYS 248 N -1.67 2.31 0.16 1.70 -0.14 -0.13 -4.93 119.74 117.04 3da1 s LYS 248 Ca 0.19 -0.61 -0.08 0.00 -1.36 0.00 0.00 55.97 54.11 3da1 s LYS 248 Cb -0.11 -1.86 -0.06 0.00 -1.68 0.00 0.00 37.83 34.11 3da1 s LYS 248 CO 0.10 0.04 0.46 -0.51 -0.76 0.00 0.00 175.35 174.68 3da1 s LEU 249 N 0.68 4.26 -0.04 3.17 1.02 -1.25 -0.79 118.68 125.73 3da1 s LEU 249 Ca -0.13 0.79 0.00 0.00 0.02 0.00 0.00 54.13 54.82 3da1 s LEU 249 Cb -0.16 -3.37 0.02 0.00 0.02 0.00 0.00 46.19 42.71 3da1 s LEU 249 CO 0.03 0.04 -0.02 -0.55 0.02 0.00 0.00 176.35 175.87 3da1 s SER 250 N -2.19 0.80 0.09 2.29 0.15 -0.02 -1.76 113.70 113.06 3da1 s SER 250 Ca 0.41 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.89 3da1 s SER 250 Cb -0.12 -0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 63.78 3da1 s SER 250 CO 0.21 -0.10 0.41 -0.75 1.20 0.00 0.00 173.24 174.22 3da1 s LYS 251 N 1.11 3.77 -0.02 5.44 2.20 0.10 -0.43 119.74 131.91 3da1 s LYS 251 Ca -0.08 0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.68 3da1 s LYS 251 Cb -0.14 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 3da1 s LYS 251 CO -0.01 0.55 0.07 0.20 -0.36 0.00 0.00 175.35 175.80 3da1 s GLY 252 N -1.79 -0.02 0.12 5.54 0.00 -1.04 -1.10 107.32 109.02 3da1 s GLY 252 Ca 0.34 0.11 0.08 0.00 0.00 0.00 0.00 44.72 45.25 3da1 s GLY 252 CO 0.18 0.07 -0.20 0.14 0.00 0.00 0.00 173.10 173.30 3da1 s VAL 253 N -0.20 1.72 -0.07 1.40 1.01 -1.26 -1.68 120.40 121.31 3da1 s VAL 253 Ca -0.03 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.35 3da1 s VAL 253 Cb -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3da1 s VAL 253 CO 0.00 -0.14 -0.18 -1.00 0.00 0.00 0.00 175.10 173.78 3da1 s HIS 254 N -1.42 1.97 0.31 5.22 3.76 -0.07 -3.57 115.29 121.49 3da1 s HIS 254 Ca 0.09 -0.74 0.06 0.00 -0.15 0.00 0.00 55.06 54.32 3da1 s HIS 254 Cb -0.09 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 3da1 s HIS 254 CO 0.05 -0.31 0.45 -0.51 -0.85 0.00 0.00 174.74 173.57 3da1 s LEU 255 N 0.40 4.05 -0.12 0.89 1.43 -1.21 -1.09 118.68 123.03 3da1 s LEU 255 Ca -0.14 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3da1 s LEU 255 Cb -0.16 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.31 3da1 s LEU 255 CO 0.06 -0.35 0.06 -0.69 0.23 0.00 0.00 176.35 175.65 3da1 s VAL 256 N -2.14 0.09 0.18 -1.59 1.01 -0.42 -1.54 120.40 115.99 3da1 s VAL 256 Ca 0.42 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3da1 s VAL 256 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3da1 s VAL 256 CO 0.31 -0.04 -0.01 0.68 0.00 0.00 0.00 175.10 176.03 3da1 s VAL 257 N 2.07 3.62 0.37 2.92 -7.23 -1.00 -0.28 120.40 120.86 3da1 s VAL 257 Ca 0.03 -1.50 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 3da1 s VAL 257 Cb -0.14 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.88 3da1 s VAL 257 CO -0.06 -0.13 1.15 -0.62 -0.31 0.00 0.00 175.10 175.12 3da1 s ASP 258 N -2.99 6.74 0.32 4.85 2.15 -1.26 -1.36 116.67 125.12 3da1 s ASP 258 Ca 0.27 2.31 0.05 0.00 0.43 0.00 0.00 52.55 55.62 3da1 s ASP 258 Cb -0.09 -2.62 0.69 0.00 -0.30 0.00 0.00 42.92 40.61 3da1 s ASP 258 CO 0.18 -0.52 1.85 -0.61 -0.17 0.00 0.00 175.17 175.90 3da1 h GLN 259 N 2.93 0.81 -0.02 4.34 5.75 -1.56 -0.51 115.11 126.86 3da1 h GLN 259 Ca -0.48 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 3da1 h GLN 259 Cb 1.23 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 3da1 h GLN 259 CO 0.64 0.54 0.02 0.66 -2.65 0.00 0.00 178.83 178.04 3da1 h SER 260 N 0.83 0.00 -0.02 -0.69 4.64 -1.92 0.13 113.55 116.53 3da1 h SER 260 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3da1 h SER 260 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3da1 h SER 260 CO -0.25 0.00 -0.24 -1.14 -0.87 0.00 0.00 176.83 174.33 3da1 n ARG 261 N -3.64 1.67 -2.78 4.77 3.00 -0.22 -4.57 116.66 114.88 3da1 n ARG 261 Ca -0.03 -1.34 -0.08 0.00 -0.00 0.00 0.00 57.85 56.41 3da1 n ARG 261 Cb 0.10 -1.42 0.03 0.00 0.00 0.00 0.00 32.46 31.17 3da1 n ARG 261 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3da1 n PHE 262 N 0.53 -3.38 -0.99 -0.14 -0.00 -0.28 -4.93 117.46 108.28 3da1 n PHE 262 Ca 0.10 -1.71 -0.36 0.00 -0.00 0.00 0.00 57.45 55.48 3da1 n PHE 262 Cb 0.49 1.45 -0.05 0.00 -0.00 0.00 0.00 39.48 41.37 3da1 n PHE 262 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3da1 n PRO 263 N 2.12 1.59 -2.37 -7.13 -0.04 0.31 -4.55 135.00 124.92 3da1 n PRO 263 Ca 0.13 -1.68 -0.41 0.00 -0.04 0.00 0.00 63.50 61.50 3da1 n PRO 263 Cb 0.60 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 3da1 n PRO 263 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3da1 s LEU 264 N 0.81 4.45 -0.10 1.53 1.43 -1.26 -4.94 118.68 120.59 3da1 s LEU 264 Ca 0.51 2.23 -0.26 0.00 -1.03 0.00 0.00 54.13 55.57 3da1 s LEU 264 Cb 0.13 -3.61 -0.26 0.00 0.03 0.00 0.00 46.19 42.48 3da1 s LEU 264 CO 0.08 -0.38 0.87 0.03 0.23 0.00 0.00 176.35 177.18 3da1 h ARG 265 N 5.30 0.10 -4.39 1.70 2.47 -1.93 -3.48 114.38 114.15 3da1 h ARG 265 Ca -0.44 -0.15 -0.20 0.00 -1.26 0.00 0.00 59.98 57.93 3da1 h ARG 265 Cb 1.21 0.05 -0.14 0.00 -1.65 0.00 0.00 29.97 29.44 3da1 h ARG 265 CO 0.75 1.02 -0.55 1.14 0.56 0.00 0.00 179.97 182.88 3da1 s GLN 266 N -2.53 1.16 0.59 0.04 0.00 -1.26 -5.04 119.66 112.62 3da1 s GLN 266 Ca -0.17 -1.51 -0.19 0.00 -0.00 0.00 0.00 55.36 53.49 3da1 s GLN 266 Cb -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 33.01 33.26 3da1 s GLN 266 CO 0.73 -0.39 1.26 0.00 0.00 0.00 0.00 175.29 176.89 3da1 s ALA 267 N -4.10 2.58 -0.00 2.60 0.00 -1.19 -4.82 121.76 116.83 3da1 s ALA 267 Ca 0.32 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.43 3da1 s ALA 267 Cb 0.06 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3da1 s ALA 267 CO 0.08 -1.28 -0.11 0.14 0.00 0.00 0.00 175.76 174.59 3da1 s VAL 268 N -1.48 0.91 -0.36 0.00 -7.23 -0.39 -0.36 120.40 111.49 3da1 s VAL 268 Ca 0.77 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 60.37 3da1 s VAL 268 Cb -0.34 -0.77 0.09 0.00 0.56 0.00 0.00 36.38 35.92 3da1 s VAL 268 CO 0.38 0.21 0.11 -0.47 -0.31 0.00 0.00 175.10 175.01 3da1 s TYR 269 N -0.35 3.51 0.33 2.82 5.04 0.89 -1.49 117.35 128.09 3da1 s TYR 269 Ca 0.04 -2.34 0.10 0.00 -2.44 0.00 0.00 57.07 52.43 3da1 s TYR 269 Cb -0.05 -2.79 -0.06 0.00 0.35 0.00 0.00 41.96 39.41 3da1 s TYR 269 CO -0.00 -0.91 -0.09 -0.59 -1.34 0.00 0.00 175.55 172.62 3da1 s PHE 270 N 1.14 2.43 0.00 4.97 -0.71 -0.57 -3.79 117.98 121.44 3da1 s PHE 270 Ca 0.04 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 3da1 s PHE 270 Cb -0.21 -1.34 0.00 0.00 -1.21 0.00 0.00 43.02 40.26 3da1 s PHE 270 CO -0.04 0.58 0.00 -0.25 -1.34 0.00 0.00 175.22 174.18 3da1 n ASP 271 N -0.80 -0.10 -4.30 1.98 8.00 -1.26 0.40 116.55 120.47 3da1 n ASP 271 Ca -0.05 -0.86 -0.16 0.00 0.71 0.00 0.00 54.79 54.43 3da1 n ASP 271 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 3da1 n ASP 271 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3da1 s THR 272 N -0.91 1.46 0.00 -3.53 2.01 -1.14 -4.53 115.64 108.99 3da1 s THR 272 Ca 0.00 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 59.87 3da1 s THR 272 Cb 0.00 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3da1 s THR 272 CO 0.00 -0.67 0.44 1.21 -0.69 0.00 0.00 174.62 174.92 3da1 n GLU 273 N -0.27 0.00 0.00 4.92 2.13 -1.26 -4.67 120.64 121.48 3da1 n GLU 273 Ca -0.09 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3da1 n GLU 273 Cb 0.60 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.37 3da1 n GLU 273 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3da1 n SER 274 N -0.47 0.00 0.00 4.31 3.41 -1.26 -4.78 113.62 114.83 3da1 n SER 274 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3da1 n SER 274 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3da1 n SER 274 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3da1 n ASP 275 N -1.01 0.00 0.00 4.04 2.03 -1.26 -4.75 116.55 115.59 3da1 n ASP 275 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3da1 n ASP 275 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3da1 n ASP 275 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3da1 n GLY 276 N 0.00 1.41 0.00 0.27 0.00 -1.26 -5.12 105.19 100.48 3da1 n GLY 276 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3da1 n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da1 n ARG 277 N 0.00 3.35 -3.64 1.61 1.74 -1.26 -4.95 116.66 113.51 3da1 n ARG 277 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3da1 n ARG 277 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 3da1 n ARG 277 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3da1 s ILE 279 N 3.68 0.00 -0.40 0.55 1.01 0.16 -2.90 121.20 123.31 3da1 s ILE 279 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 3da1 s ILE 279 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.52 3da1 s ILE 279 CO 0.00 0.00 0.24 -0.36 0.00 0.00 0.00 174.94 174.82 3da1 s PHE 280 N 0.03 3.28 -0.41 3.97 0.08 -1.26 -1.51 117.98 122.16 3da1 s PHE 280 Ca 0.04 -1.19 -0.16 0.00 0.12 0.00 0.00 56.93 55.74 3da1 s PHE 280 Cb -0.05 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.75 3da1 s PHE 280 CO -0.08 -0.74 0.34 0.00 -0.10 0.00 0.00 175.22 174.64 3da1 s ALA 281 N 1.51 3.47 -0.16 5.36 0.00 -0.56 0.20 121.76 131.58 3da1 s ALA 281 Ca 0.02 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 3da1 s ALA 281 Cb -0.21 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3da1 s ALA 281 CO 0.05 -1.50 -0.08 0.42 0.00 0.00 0.00 175.76 174.65 3da1 s ILE 282 N 1.81 3.43 0.03 0.00 -1.09 -0.55 -1.27 121.20 123.56 3da1 s ILE 282 Ca 0.07 -0.51 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 3da1 s ILE 282 Cb -0.19 -2.49 -0.06 0.00 -1.58 0.00 0.00 42.46 38.14 3da1 s ILE 282 CO 0.11 0.49 0.52 -2.16 -1.23 0.00 0.00 174.94 172.67 3da1 s PRO 283 N 0.56 4.13 -0.28 2.79 0.04 -1.26 -1.30 135.00 139.68 3da1 s PRO 283 Ca -0.05 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 3da1 s PRO 283 Cb -0.15 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.23 3da1 s PRO 283 CO 0.03 0.60 0.81 0.50 0.04 0.00 0.00 177.00 178.98 3da1 s ARG 284 N -0.90 0.69 -1.67 4.56 3.52 0.28 -4.94 118.95 120.49 3da1 s ARG 284 Ca 0.27 0.92 -0.08 0.00 -0.13 0.00 0.00 55.73 56.71 3da1 s ARG 284 Cb -0.18 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.57 3da1 s ARG 284 CO 0.17 -0.10 0.21 0.39 -0.81 0.00 0.00 175.30 175.15 3da1 n GLU 285 N 3.03 -0.86 -1.11 5.12 1.02 -1.26 0.75 120.64 127.33 3da1 n GLU 285 Ca -0.15 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3da1 n GLU 285 Cb 0.56 -3.97 -0.02 0.00 -0.02 0.00 0.00 31.44 28.00 3da1 n GLU 285 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3da1 n GLY 286 N -2.06 0.67 3.21 0.62 0.00 -1.26 -4.96 105.19 101.42 3da1 n GLY 286 Ca -0.17 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 3da1 n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da1 s LYS 287 N -1.97 1.15 -0.27 1.61 -0.14 0.23 -1.67 119.74 118.67 3da1 s LYS 287 Ca 0.00 -1.59 -0.02 0.00 -1.36 0.00 0.00 55.97 53.00 3da1 s LYS 287 Cb 0.00 0.12 0.09 0.00 -1.68 0.00 0.00 37.83 36.36 3da1 s LYS 287 CO 0.00 -0.31 0.09 0.99 -0.76 0.00 0.00 175.35 175.35 3da1 s THR 288 N -4.01 0.58 -0.10 2.17 2.01 -0.46 0.99 115.64 116.83 3da1 s THR 288 Ca 0.33 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 3da1 s THR 288 Cb 0.07 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3da1 s THR 288 CO 0.09 -0.56 0.65 -0.72 -0.69 0.00 0.00 174.62 173.39 3da1 s TYR 289 N 1.78 3.53 0.01 4.92 1.13 -0.42 -2.37 117.35 125.94 3da1 s TYR 289 Ca 0.07 1.14 -0.10 0.00 -1.41 0.00 0.00 57.07 56.77 3da1 s TYR 289 Cb -0.17 -2.76 -0.05 0.00 -1.10 0.00 0.00 41.96 37.88 3da1 s TYR 289 CO -0.23 0.06 0.33 0.42 -2.51 0.00 0.00 175.55 173.62 3da1 s ILE 290 N 0.95 5.20 0.00 -3.49 1.01 -0.59 -1.49 121.20 122.79 3da1 s ILE 290 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3da1 s ILE 290 Cb -0.17 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3da1 s ILE 290 CO 0.15 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.14 3da1 n GLY 291 N 1.35 0.00 3.43 6.18 0.00 0.53 -3.33 105.19 113.35 3da1 n GLY 291 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3da1 n GLY 291 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3da1 s THR 292 N 0.00 2.37 0.44 2.61 2.01 -1.26 -4.31 115.64 117.50 3da1 s THR 292 Ca 0.00 -2.06 0.08 0.00 0.31 0.00 0.00 61.69 60.02 3da1 s THR 292 Cb 0.00 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.37 3da1 s THR 292 CO 0.00 -0.14 0.53 0.42 -0.69 0.00 0.00 174.62 174.74 3da1 s THR 293 N -1.75 2.77 -0.27 -0.82 -4.23 -1.23 -4.89 115.64 105.22 3da1 s THR 293 Ca 0.22 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.59 3da1 s THR 293 Cb -0.08 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 70.99 3da1 s THR 293 CO 0.10 0.00 0.25 -0.62 -0.54 0.00 0.00 174.62 173.81 3da1 s ASP 294 N -4.31 1.97 0.07 3.99 2.15 -1.24 -3.93 116.67 115.37 3da1 s ASP 294 Ca 0.53 -0.74 0.05 0.00 0.43 0.00 0.00 52.55 52.82 3da1 s ASP 294 Cb -0.07 0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 3da1 s ASP 294 CO 0.32 -0.38 -0.14 0.42 -0.17 0.00 0.00 175.17 175.21 3da1 s THR 295 N 2.30 1.09 0.71 1.71 -4.23 -0.26 -4.96 115.64 112.01 3da1 s THR 295 Ca 0.09 -1.32 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 3da1 s THR 295 Cb -0.15 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.65 3da1 s THR 295 CO -0.29 -0.25 1.19 0.12 -0.54 0.00 0.00 174.62 174.86 3da1 s PHE 296 N -1.35 2.14 -0.16 3.99 5.36 -1.26 0.03 117.98 126.73 3da1 s PHE 296 Ca -0.02 1.59 -0.07 0.00 -0.96 0.00 0.00 56.93 57.48 3da1 s PHE 296 Cb -0.10 -3.43 0.07 0.00 -0.34 0.00 0.00 43.02 39.22 3da1 s PHE 296 CO 0.02 -2.47 0.34 -0.47 -1.46 0.00 0.00 175.22 171.18 3da1 s TYR 297 N -2.01 -0.56 -0.16 10.12 6.14 -0.72 -4.60 117.35 125.56 3da1 s TYR 297 Ca 0.73 1.18 0.19 0.00 0.64 0.00 0.00 57.07 59.82 3da1 s TYR 297 Cb -0.28 0.16 0.41 0.00 0.42 0.00 0.00 41.96 42.66 3da1 s TYR 297 CO 0.44 -0.37 1.19 -0.40 0.64 0.00 0.00 175.55 177.05 3da1 n ASP 298 N 4.87 0.58 0.00 4.32 5.75 -1.26 -3.87 116.55 126.94 3da1 n ASP 298 Ca -0.15 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3da1 n ASP 298 Cb 0.52 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3da1 n ASP 298 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3da1 n LYS 299 N -0.35 1.66 -2.93 0.11 4.76 -1.26 -5.02 118.16 115.12 3da1 n LYS 299 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 3da1 n LYS 299 Cb 0.91 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 34.05 3da1 n LYS 299 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3da1 s ASP 300 N -0.88 6.77 0.62 4.39 2.15 -1.26 -4.93 116.67 123.53 3da1 s ASP 300 Ca 0.00 0.94 0.35 0.00 0.43 0.00 0.00 52.55 54.27 3da1 s ASP 300 Cb 0.00 -2.42 2.03 0.00 -0.30 0.00 0.00 42.92 42.24 3da1 s ASP 300 CO 0.00 -0.50 2.28 0.40 -0.17 0.00 0.00 175.17 177.18 3da1 h ILE 301 N 5.44 0.32 -0.02 4.11 2.04 -1.95 -2.59 117.51 124.86 3da1 h ILE 301 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3da1 h ILE 301 Cb 1.10 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3da1 h ILE 301 CO 0.86 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.89 3da1 n ALA 302 N -2.22 2.76 -2.61 1.87 0.00 -1.26 -4.61 120.51 114.43 3da1 n ALA 302 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 3da1 n ALA 302 Cb 0.10 -0.88 0.03 0.00 0.00 0.00 0.00 19.45 18.71 3da1 n ALA 302 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3da1 n SER 303 N 0.75 2.42 -4.80 0.00 2.88 -0.97 -5.09 113.62 108.80 3da1 n SER 303 Ca 0.14 -2.72 -0.36 0.00 -1.33 0.00 0.00 58.87 54.59 3da1 n SER 303 Cb 0.52 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 3da1 n SER 303 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3da1 s PRO 304 N -3.51 4.38 0.00 -1.46 0.04 -1.26 -4.92 135.00 128.27 3da1 s PRO 304 Ca 0.33 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3da1 s PRO 304 Cb 0.39 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3da1 s PRO 304 CO -0.02 0.34 0.00 2.89 0.04 0.00 0.00 177.00 180.25 3da1 n ARG 305 N 0.64 0.00 -3.84 4.56 1.85 -1.26 -4.43 116.66 114.17 3da1 n ARG 305 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 3da1 n ARG 305 Cb 0.51 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.93 3da1 n ARG 305 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3da1 s THR 307 N 1.21 0.00 0.32 8.89 -4.23 -1.26 -4.91 115.64 115.66 3da1 s THR 307 Ca 0.00 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 59.79 3da1 s THR 307 Cb 0.00 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 71.09 3da1 s THR 307 CO 0.00 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.40 3da1 h VAL 308 N 2.00 1.29 -0.11 2.29 2.07 -2.00 -2.21 116.25 119.59 3da1 h VAL 308 Ca -0.29 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 3da1 h VAL 308 Cb 1.23 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3da1 h VAL 308 CO 0.37 0.42 -0.00 -0.33 0.02 0.00 0.00 177.57 178.05 3da1 h GLU 309 N 0.17 0.19 -0.07 1.57 5.08 -2.01 -0.19 114.58 119.32 3da1 h GLU 309 Ca 0.02 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3da1 h GLU 309 Cb 0.75 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 3da1 h GLU 309 CO 0.06 0.44 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.75 3da1 h ASP 310 N -0.08 -0.96 -0.08 1.42 3.32 -1.92 0.45 116.42 118.56 3da1 h ASP 310 Ca 0.03 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3da1 h ASP 310 Cb 0.36 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3da1 h ASP 310 CO 0.01 -0.36 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.07 3da1 h ARG 311 N -0.42 0.02 0.00 3.56 2.43 -1.38 -1.52 114.38 117.07 3da1 h ARG 311 Ca 0.08 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3da1 h ARG 311 Cb 0.54 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3da1 h ARG 311 CO -0.31 0.02 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.70 3da1 h ASP 312 N 0.02 0.00 0.15 -3.80 3.32 -0.64 -1.51 116.42 113.96 3da1 h ASP 312 Ca 0.04 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.84 3da1 h ASP 312 Cb 0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.61 3da1 h ASP 312 CO -0.07 0.03 -1.16 0.22 -1.72 0.00 0.00 179.24 176.54 3da1 h TYR 313 N 0.00 0.57 0.02 4.55 3.20 -0.31 -2.76 116.97 122.24 3da1 h TYR 313 Ca -0.00 -0.41 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 3da1 h TYR 313 Cb 0.25 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3da1 h TYR 313 CO 0.00 1.45 -0.01 0.82 -1.64 0.00 0.00 178.16 178.78 3da1 h ILE 314 N -0.27 1.25 -0.91 1.81 1.08 -1.06 -2.91 117.51 116.50 3da1 h ILE 314 Ca -0.23 -0.84 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3da1 h ILE 314 Cb 1.77 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 37.30 3da1 h ILE 314 CO 0.13 0.22 0.57 -0.07 -0.69 0.00 0.00 178.15 178.31 3da1 h LEU 315 N -0.39 1.08 0.29 1.44 3.38 -1.44 -1.63 115.31 118.04 3da1 h LEU 315 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3da1 h LEU 315 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3da1 h LEU 315 CO 0.00 0.82 -0.33 0.00 0.09 0.00 0.00 178.44 179.02 3da1 h ALA 316 N 1.37 -0.99 -0.47 1.53 0.00 -1.48 -0.90 119.26 118.33 3da1 h ALA 316 Ca 0.33 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3da1 h ALA 316 Cb -0.08 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3da1 h ALA 316 CO -0.06 -1.02 0.13 0.00 0.00 0.00 0.00 179.25 178.29 3da1 h ALA 317 N -1.15 0.54 -0.99 0.00 0.00 -1.45 -0.43 119.26 115.77 3da1 h ALA 317 Ca -0.04 0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.15 3da1 h ALA 317 Cb 0.56 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 3da1 h ALA 317 CO -0.07 -0.28 0.61 0.00 0.00 0.00 0.00 179.25 179.52 3da1 h ALA 318 N 1.34 1.75 0.00 0.00 0.00 -1.10 0.22 119.26 121.47 3da1 h ALA 318 Ca 0.23 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 3da1 h ALA 318 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3da1 h ALA 318 CO -0.27 -0.11 -0.74 -0.91 0.00 0.00 0.00 179.25 177.22 3da1 h ASN 319 N 0.72 0.00 0.00 0.00 2.35 0.27 -0.57 115.58 118.35 3da1 h ASN 319 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 3da1 h ASN 319 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3da1 h ASN 319 CO -0.35 0.74 0.00 0.00 -1.65 0.00 0.00 177.43 176.17 3da1 n TYR 320 N -3.54 0.00 -0.58 1.19 9.36 0.77 -2.08 117.16 122.28 3da1 n TYR 320 Ca -0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 3da1 n TYR 320 Cb 0.75 -0.01 -0.03 0.00 -0.63 0.00 0.00 39.34 39.42 3da1 n TYR 320 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3da1 n PHE 322 N -0.11 0.00 0.30 2.98 3.72 -0.22 -4.85 117.46 119.27 3da1 n PHE 322 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 3da1 n PHE 322 Cb 0.02 -0.26 0.97 0.00 -0.94 0.00 0.00 39.48 39.26 3da1 n PHE 322 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3da1 h PRO 323 N 4.92 0.00 -0.61 -1.08 0.11 -1.65 -2.88 132.00 130.81 3da1 h PRO 323 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 3da1 h PRO 323 Cb 0.54 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 3da1 h PRO 323 CO 0.60 0.03 0.07 1.03 -0.21 0.00 0.00 178.00 179.51 3da1 h SER 324 N 0.00 0.97 -4.00 -2.05 0.87 -1.85 -3.43 113.55 104.05 3da1 h SER 324 Ca -0.00 -0.23 -0.47 0.00 -1.23 0.00 0.00 61.79 59.85 3da1 h SER 324 Cb 0.15 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3da1 h SER 324 CO 0.00 0.98 0.39 -0.76 -0.53 0.00 0.00 176.83 176.92 3da1 s LEU 325 N -9.36 4.04 -0.60 2.23 1.02 -1.09 -4.96 118.68 109.97 3da1 s LEU 325 Ca -0.11 1.94 0.03 0.00 0.02 0.00 0.00 54.13 56.01 3da1 s LEU 325 Cb 0.14 -4.34 0.38 0.00 0.02 0.00 0.00 46.19 42.39 3da1 s LEU 325 CO 0.84 -0.53 1.27 0.54 0.02 0.00 0.00 176.35 178.48 3da1 n ARG 326 N -0.38 3.46 -1.47 1.70 3.00 -1.26 -4.92 116.66 116.81 3da1 n ARG 326 Ca 0.06 -4.48 -0.49 0.00 -0.01 0.00 0.00 57.85 52.93 3da1 n ARG 326 Cb 0.51 -2.27 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 3da1 n ARG 326 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3da1 n LEU 327 N -0.38 2.28 -4.85 0.55 4.32 -1.26 -4.97 117.00 112.70 3da1 n LEU 327 Ca 0.40 0.37 -0.29 0.00 -0.02 0.00 0.00 56.01 56.47 3da1 n LEU 327 Cb 0.48 -1.30 -0.04 0.00 -1.62 0.00 0.00 43.42 40.94 3da1 n LEU 327 CO 0.38 -0.73 -0.08 0.42 -1.22 0.00 0.00 177.39 176.15 3da1 s THR 328 N 7.49 1.39 -0.45 -5.08 -4.23 -1.26 -4.91 115.64 108.59 3da1 s THR 328 Ca 1.08 -1.72 0.18 0.00 -1.18 0.00 0.00 61.69 60.06 3da1 s THR 328 Cb -0.78 -2.11 0.19 0.00 1.34 0.00 0.00 72.50 71.14 3da1 s THR 328 CO 0.47 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 176.11 3da1 n ALA 329 N -1.56 1.24 1.26 3.99 0.00 -1.26 -1.95 120.51 122.23 3da1 n ALA 329 Ca -0.10 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3da1 n ALA 329 Cb 0.65 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 19.22 3da1 n ALA 329 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3da1 n ASP 330 N -2.09 0.98 0.02 0.00 8.00 -1.26 -3.88 116.55 118.32 3da1 n ASP 330 Ca 0.00 -0.87 -0.07 0.00 0.71 0.00 0.00 54.79 54.56 3da1 n ASP 330 Cb 0.09 0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 41.18 3da1 n ASP 330 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3da1 h ASP 331 N 1.17 0.00 -2.72 -2.24 3.32 -1.79 -3.45 116.42 110.71 3da1 h ASP 331 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3da1 h ASP 331 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3da1 h ASP 331 CO 0.00 0.97 0.99 -0.69 -1.72 0.00 0.00 179.24 178.79 3da1 s VAL 332 N -2.67 3.54 -1.39 -1.35 1.01 -1.25 -4.14 120.40 114.16 3da1 s VAL 332 Ca -0.02 0.81 0.12 0.00 0.00 0.00 0.00 61.98 62.89 3da1 s VAL 332 Cb 0.09 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 33.00 3da1 s VAL 332 CO 0.82 -0.04 0.82 -1.84 0.00 0.00 0.00 175.10 174.86 3da1 n GLU 333 N 6.30 1.20 -3.77 2.72 0.28 0.61 -4.99 120.64 122.99 3da1 n GLU 333 Ca 0.16 -1.03 -0.02 0.00 -0.16 0.00 0.00 57.16 56.11 3da1 n GLU 333 Cb 0.43 -1.20 -0.00 0.00 1.43 0.00 0.00 31.44 32.09 3da1 n GLU 333 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3da1 s SER 334 N -1.22 -0.08 -0.23 -1.84 0.15 -1.19 -4.72 113.70 104.57 3da1 s SER 334 Ca 0.13 -0.40 -0.37 0.00 0.70 0.00 0.00 55.95 56.01 3da1 s SER 334 Cb 0.10 0.39 0.15 0.00 -1.71 0.00 0.00 66.02 64.95 3da1 s SER 334 CO 0.21 -0.73 1.35 -0.94 1.20 0.00 0.00 173.24 174.33 3da1 s SER 335 N -3.14 -0.04 0.05 5.45 1.04 -1.04 -1.31 113.70 114.72 3da1 s SER 335 Ca 0.16 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.44 3da1 s SER 335 Cb -0.00 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3da1 s SER 335 CO 0.01 -0.07 0.32 -1.66 0.98 0.00 0.00 173.24 172.82 3da1 s TRP 336 N -2.13 -0.13 0.14 5.02 -2.14 -0.25 -4.72 118.94 114.75 3da1 s TRP 336 Ca 0.12 -0.01 0.10 0.00 2.66 0.00 0.00 56.10 58.97 3da1 s TRP 336 Cb 0.01 0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.46 3da1 s TRP 336 CO -0.03 -0.53 -0.23 0.00 -2.66 0.00 0.00 176.95 173.50 3da1 s ALA 337 N -2.66 2.53 0.05 2.67 0.00 -1.26 -0.89 121.76 122.19 3da1 s ALA 337 Ca -0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 3da1 s ALA 337 Cb -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 3da1 s ALA 337 CO -0.04 0.52 0.09 0.20 0.00 0.00 0.00 175.76 176.53 3da1 s GLY 338 N -2.27 0.22 -0.20 0.00 0.00 -0.68 -4.82 107.32 99.56 3da1 s GLY 338 Ca 0.17 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 3da1 s GLY 338 CO 0.08 -0.85 -0.08 1.08 0.00 0.00 0.00 173.10 173.34 3da1 s LEU 339 N -2.46 2.75 -0.27 0.66 1.02 -1.26 -2.51 118.68 116.61 3da1 s LEU 339 Ca -0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 54.13 53.66 3da1 s LEU 339 Cb 0.02 -1.68 -0.00 0.00 0.02 0.00 0.00 46.19 44.54 3da1 s LEU 339 CO -0.07 0.00 0.06 -0.60 0.02 0.00 0.00 176.35 175.76 3da1 s ARG 340 N 1.33 3.30 0.24 1.70 3.52 0.42 -4.76 118.95 124.70 3da1 s ARG 340 Ca 0.04 -0.71 -0.22 0.00 -0.13 0.00 0.00 55.73 54.70 3da1 s ARG 340 Cb -0.14 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 29.86 3da1 s ARG 340 CO -0.04 -0.33 0.80 -1.25 -0.81 0.00 0.00 175.30 173.66 3da1 s PRO 341 N 1.53 4.40 -0.04 5.12 0.04 -1.26 -0.84 135.00 143.96 3da1 s PRO 341 Ca 0.04 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.15 3da1 s PRO 341 Cb -0.16 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.47 3da1 s PRO 341 CO 0.02 0.40 -0.06 -0.51 0.04 0.00 0.00 177.00 176.89 3da1 s LEU 342 N -1.84 1.49 0.09 -3.56 1.02 0.03 -4.97 118.68 110.94 3da1 s LEU 342 Ca 0.44 -0.14 -0.31 0.00 0.02 0.00 0.00 54.13 54.14 3da1 s LEU 342 Cb -0.18 -0.46 -0.07 0.00 0.02 0.00 0.00 46.19 45.50 3da1 s LEU 342 CO 0.23 -0.02 1.31 -0.63 0.02 0.00 0.00 176.35 177.26 3da1 s ILE 343 N 0.67 3.61 -0.16 -0.59 1.09 -1.26 -0.96 121.20 123.60 3da1 s ILE 343 Ca -0.09 1.15 0.01 0.00 -1.10 0.00 0.00 60.65 60.62 3da1 s ILE 343 Cb -0.12 -3.74 0.01 0.00 -1.06 0.00 0.00 42.46 37.55 3da1 s ILE 343 CO 0.00 0.09 -0.18 -2.28 -0.10 0.00 0.00 174.94 172.47 3da1 s HIS 344 N 1.14 2.75 -1.38 3.97 2.46 -0.38 -4.94 115.29 118.91 3da1 s HIS 344 Ca 0.62 -1.35 -0.02 0.00 0.47 0.00 0.00 55.06 54.78 3da1 s HIS 344 Cb -0.34 -1.89 0.01 0.00 -0.13 0.00 0.00 32.58 30.23 3da1 s HIS 344 CO 0.30 -0.65 0.16 0.39 -2.47 0.00 0.00 174.74 172.47 3da1 n GLU 345 N 4.31 -2.64 0.00 2.88 1.02 -1.26 -2.64 120.64 122.31 3da1 n GLU 345 Ca -0.20 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3da1 n GLU 345 Cb 0.51 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 3da1 n GLU 345 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3da1 n ASP 357 N -2.04 0.00 -3.89 1.62 5.75 -1.26 -3.44 116.55 113.29 3da1 n ASP 357 Ca -0.16 -0.46 -0.30 0.00 -0.01 0.00 0.00 54.79 53.87 3da1 n ASP 357 Cb 0.63 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.95 3da1 n ASP 357 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3da1 s GLU 358 N 0.91 -1.00 -0.03 0.11 2.02 -1.26 -4.43 118.70 115.03 3da1 s GLU 358 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 54.95 3da1 s GLU 358 Cb 0.00 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.62 3da1 s GLU 358 CO 0.00 -3.57 -0.06 0.96 0.02 0.00 0.00 175.26 172.62 3da1 s ILE 359 N -3.07 0.55 -0.09 -1.63 -0.00 -1.26 -2.83 121.20 112.86 3da1 s ILE 359 Ca 0.71 -0.20 -0.04 0.00 -0.00 0.00 0.00 60.65 61.12 3da1 s ILE 359 Cb -0.10 -0.53 -0.04 0.00 -0.00 0.00 0.00 42.46 41.80 3da1 s ILE 359 CO 0.56 0.20 0.07 -0.36 -0.00 0.00 0.00 174.94 175.41 3da1 s PHE 360 N 0.48 3.37 -0.07 1.37 0.08 0.41 -4.92 117.98 118.70 3da1 s PHE 360 Ca -0.06 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.38 3da1 s PHE 360 Cb -0.10 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 3da1 s PHE 360 CO 0.00 0.60 -0.22 -0.06 -0.10 0.00 0.00 175.22 175.44 3da1 s PHE 361 N -0.98 2.26 0.53 0.36 0.08 -1.26 -0.87 117.98 118.11 3da1 s PHE 361 Ca 0.15 -0.76 0.07 0.00 0.12 0.00 0.00 56.93 56.52 3da1 s PHE 361 Cb -0.12 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.87 3da1 s PHE 361 CO 0.04 -0.27 0.54 -1.54 -0.10 0.00 0.00 175.22 173.89 3da1 s SER 362 N 0.08 4.88 0.03 1.36 1.04 -0.89 -4.95 113.70 115.24 3da1 s SER 362 Ca -0.09 -1.02 0.26 0.00 0.48 0.00 0.00 55.95 55.58 3da1 s SER 362 Cb -0.15 0.21 1.07 0.00 0.10 0.00 0.00 66.02 67.26 3da1 s SER 362 CO 0.05 -1.12 1.82 0.47 0.98 0.00 0.00 173.24 175.44 3da1 n ASP 363 N -1.90 0.10 0.01 7.02 8.00 -1.26 -1.92 116.55 126.60 3da1 n ASP 363 Ca 0.05 0.51 0.11 0.00 0.71 0.00 0.00 54.79 56.17 3da1 n ASP 363 Cb 0.63 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 3da1 n ASP 363 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3da1 n SER 364 N -1.60 0.68 0.00 -2.24 3.41 -1.26 -4.83 113.62 107.78 3da1 n SER 364 Ca 0.06 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3da1 n SER 364 Cb 0.31 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3da1 n SER 364 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3da1 n GLY 365 N 1.42 0.90 3.75 5.00 0.00 -0.81 -2.61 105.19 112.84 3da1 n GLY 365 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3da1 n GLY 365 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3da1 s LEU 366 N 0.00 4.44 -0.24 0.99 2.96 -1.26 -4.72 118.68 120.85 3da1 s LEU 366 Ca 0.00 2.43 -0.06 0.00 -0.22 0.00 0.00 54.13 56.28 3da1 s LEU 366 Cb 0.00 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 3da1 s LEU 366 CO 0.00 -0.47 0.03 -0.63 -1.32 0.00 0.00 176.35 173.96 3da1 s ILE 367 N -0.30 3.98 -0.01 6.68 1.09 -1.13 -2.09 121.20 129.41 3da1 s ILE 367 Ca 0.53 -0.29 0.02 0.00 -1.10 0.00 0.00 60.65 59.82 3da1 s ILE 367 Cb -0.36 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.16 3da1 s ILE 367 CO 0.41 0.37 -0.04 -0.44 -0.10 0.00 0.00 174.94 175.15 3da1 s SER 368 N 1.51 4.84 -0.55 3.58 0.01 -0.05 0.16 113.70 123.21 3da1 s SER 368 Ca 0.06 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 3da1 s SER 368 Cb -0.15 -1.20 0.14 0.00 0.21 0.00 0.00 66.02 65.02 3da1 s SER 368 CO 0.01 0.29 0.34 -0.63 0.41 0.00 0.00 173.24 173.66 3da1 s ILE 369 N -1.01 3.34 0.13 1.44 1.09 -0.65 -0.45 121.20 125.09 3da1 s ILE 369 Ca 0.17 -2.81 0.19 0.00 -1.10 0.00 0.00 60.65 57.11 3da1 s ILE 369 Cb -0.11 -3.23 0.14 0.00 -1.06 0.00 0.00 42.46 38.20 3da1 s ILE 369 CO 0.08 -0.81 1.72 0.00 -0.10 0.00 0.00 174.94 175.82 3da1 h ALA 370 N 7.17 0.96 -2.19 9.38 0.00 -1.86 -3.36 119.26 129.37 3da1 h ALA 370 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3da1 h ALA 370 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3da1 h ALA 370 CO 0.69 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3da1 n GLY 371 N 0.33 -3.17 2.61 0.00 0.00 -1.13 -4.85 105.19 98.98 3da1 n GLY 371 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 46.02 46.33 3da1 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3da1 n GLY 372 N -0.81 -2.20 3.60 -0.02 0.00 -1.26 -4.85 105.19 99.66 3da1 n GLY 372 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 3da1 n GLY 372 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da1 s LYS 373 N -2.05 2.29 -0.16 1.61 1.02 -1.26 -5.03 119.74 116.16 3da1 s LYS 373 Ca 0.14 -0.93 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 3da1 s LYS 373 Cb -0.04 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 3da1 s LYS 373 CO 0.66 0.53 -0.31 -0.11 -0.92 0.00 0.00 175.35 175.20 3da1 n LEU 374 N 0.83 1.76 -0.18 3.17 7.94 -1.26 -3.52 117.00 125.74 3da1 n LEU 374 Ca -0.13 0.30 -0.01 0.00 -1.11 0.00 0.00 56.01 55.05 3da1 n LEU 374 Cb 0.52 -0.70 0.21 0.00 0.53 0.00 0.00 43.42 43.98 3da1 n LEU 374 CO 0.34 -0.31 1.11 0.74 -1.11 0.00 0.00 177.39 178.16 3da1 h THR 375 N -0.88 1.21 -0.78 1.96 2.02 -1.94 -2.78 112.91 111.73 3da1 h THR 375 Ca 0.00 -0.59 -0.49 0.00 0.77 0.00 0.00 66.41 66.09 3da1 h THR 375 Cb 0.88 0.37 -0.28 0.00 -1.74 0.00 0.00 68.15 67.39 3da1 h THR 375 CO 0.00 0.25 0.22 0.61 0.37 0.00 0.00 175.52 176.97 3da1 n GLY 376 N -1.13 5.48 0.24 2.16 0.00 -1.26 -4.71 105.19 105.97 3da1 n GLY 376 Ca 0.06 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 3da1 n GLY 376 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3da1 h TYR 377 N 1.59 0.87 0.23 1.61 -0.00 -1.53 -3.34 116.97 116.40 3da1 h TYR 377 Ca 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 58.73 59.03 3da1 h TYR 377 Cb 1.57 -0.22 -0.01 0.00 0.00 0.00 0.00 36.73 38.06 3da1 h TYR 377 CO 1.24 0.86 -0.20 -0.09 -0.00 0.00 0.00 178.16 179.98 3da1 h ARG 378 N 0.62 -0.43 -1.83 0.10 2.43 -1.85 0.16 114.38 113.58 3da1 h ARG 378 Ca 0.12 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3da1 h ARG 378 Cb 0.54 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3da1 h ARG 378 CO 0.03 -0.29 0.00 1.63 -1.51 0.00 0.00 179.97 179.83 3da1 n LYS 379 N -5.33 0.38 0.00 0.20 4.76 -1.25 -1.11 118.16 115.81 3da1 n LYS 379 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3da1 n LYS 379 Cb 0.24 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3da1 n LYS 379 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3da1 n ALA 381 N 1.37 0.00 -0.33 7.82 0.00 0.56 -0.53 120.51 129.41 3da1 n ALA 381 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3da1 n ALA 381 Cb 0.19 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.91 3da1 n ALA 381 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3da1 h GLU 382 N 0.00 0.90 -0.34 0.00 4.81 -1.37 0.28 114.58 118.86 3da1 h GLU 382 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3da1 h GLU 382 Cb 0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3da1 h GLU 382 CO 0.00 0.60 0.02 -0.09 -0.73 0.00 0.00 179.01 178.81 3da1 h ARG 383 N 0.93 0.59 -0.45 1.92 2.43 -1.07 0.20 114.38 118.92 3da1 h ARG 383 Ca 0.47 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3da1 h ARG 383 Cb 0.50 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3da1 h ARG 383 CO -0.23 0.69 0.13 1.15 -1.51 0.00 0.00 179.97 180.20 3da1 h THR 384 N 0.41 1.23 0.00 0.20 2.02 -1.49 -2.05 112.91 113.22 3da1 h THR 384 Ca 0.10 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3da1 h THR 384 Cb 0.41 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3da1 h THR 384 CO 0.01 0.28 -0.08 0.58 0.37 0.00 0.00 175.52 176.68 3da1 h VAL 385 N 0.59 0.22 -0.32 3.16 2.07 -0.42 -2.19 116.25 119.37 3da1 h VAL 385 Ca 0.14 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3da1 h VAL 385 Cb 0.29 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3da1 h VAL 385 CO -0.00 0.08 0.10 0.44 0.02 0.00 0.00 177.57 178.21 3da1 h ASP 386 N 0.00 0.46 -0.22 0.57 3.32 -0.23 0.30 116.42 120.61 3da1 h ASP 386 Ca -0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3da1 h ASP 386 Cb 0.58 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3da1 h ASP 386 CO 0.01 0.53 0.07 0.00 -1.72 0.00 0.00 179.24 178.14 3da1 h ALA 387 N 0.94 0.29 0.55 3.45 0.00 -1.13 0.23 119.26 123.58 3da1 h ALA 387 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3da1 h ALA 387 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3da1 h ALA 387 CO -0.00 -0.09 -0.29 0.28 0.00 0.00 0.00 179.25 179.15 3da1 h VAL 388 N 0.19 0.41 -0.81 0.00 2.07 -1.26 -0.94 116.25 115.92 3da1 h VAL 388 Ca 0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 3da1 h VAL 388 Cb 0.22 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3da1 h VAL 388 CO -0.00 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.12 3da1 h ALA 389 N -0.33 1.91 0.64 1.67 0.00 -0.35 0.21 119.26 123.02 3da1 h ALA 389 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3da1 h ALA 389 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3da1 h ALA 389 CO 0.10 -0.11 -0.43 0.37 0.00 0.00 0.00 179.25 179.18 3da1 h GLN 390 N 0.60 -0.98 0.21 0.00 5.75 0.03 0.39 115.11 121.11 3da1 h GLN 390 Ca 0.39 0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.97 3da1 h GLN 390 Cb 0.68 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 3da1 h GLN 390 CO -0.16 -0.65 -0.45 0.78 -2.65 0.00 0.00 178.83 175.71 3da1 h GLY 391 N -1.02 -0.97 1.26 2.39 0.00 -0.02 -1.04 103.07 103.67 3da1 h GLY 391 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3da1 h GLY 391 CO 0.06 -0.29 0.00 1.04 0.00 0.00 0.00 176.54 177.35 3da1 n LEU 392 N -5.49 0.00 -2.85 3.11 4.77 -0.05 -4.94 117.00 111.55 3da1 n LEU 392 Ca -0.08 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3da1 n LEU 392 Cb 0.40 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3da1 n LEU 392 CO 0.21 -0.05 -0.45 -3.20 -1.33 0.00 0.00 177.39 172.57 3da1 n ASN 393 N -1.13 -7.68 -3.99 -1.43 5.15 0.12 -5.03 115.26 101.27 3da1 n ASN 393 Ca 0.12 1.12 -0.24 0.00 -0.60 0.00 0.00 54.58 54.98 3da1 n ASN 393 Cb 0.10 -4.49 -0.17 0.00 -0.53 0.00 0.00 39.78 34.70 3da1 n ASN 393 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3da1 s VAL 394 N -1.58 1.04 -1.05 3.44 1.01 -0.46 -5.02 120.40 117.77 3da1 s VAL 394 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3da1 s VAL 394 Cb -0.01 -0.98 0.30 0.00 0.00 0.00 0.00 36.38 35.70 3da1 s VAL 394 CO 0.63 0.34 1.87 -3.20 0.00 0.00 0.00 175.10 174.73 3da1 n ASN 395 N 4.00 7.41 -3.87 3.32 2.85 -1.26 -4.84 115.26 122.87 3da1 n ASN 395 Ca -0.22 -3.64 -0.26 0.00 -0.11 0.00 0.00 54.58 50.35 3da1 n ASN 395 Cb 0.51 -1.19 -0.17 0.00 1.24 0.00 0.00 39.78 40.18 3da1 n ASN 395 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 3da1 s GLU 396 N -4.06 1.29 0.53 1.20 2.56 -1.26 -5.14 118.70 113.82 3da1 s GLU 396 Ca 0.40 -0.18 -0.19 0.00 0.00 0.00 0.00 54.97 55.01 3da1 s GLU 396 Cb 0.19 -1.46 -0.06 0.00 2.00 0.00 0.00 34.13 34.80 3da1 s GLU 396 CO -0.12 -0.29 1.08 -1.25 -0.56 0.00 0.00 175.26 174.12 3da1 s PRO 397 N 1.77 3.51 -0.23 4.30 0.04 -1.26 -5.00 135.00 138.13 3da1 s PRO 397 Ca 0.05 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 3da1 s PRO 397 Cb -0.13 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 3da1 s PRO 397 CO -0.07 -0.69 1.19 0.00 0.04 0.00 0.00 177.00 177.46 3da1 n THR 399 N 5.58 1.19 0.30 0.00 -2.24 -1.26 -4.86 114.28 112.99 3da1 n THR 399 Ca 0.13 -2.40 0.15 0.00 -2.27 0.00 0.00 64.05 59.66 3da1 n THR 399 Cb 0.46 0.41 0.51 0.00 -2.10 0.00 0.00 70.33 69.61 3da1 n THR 399 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3da1 h THR 400 N 4.36 0.00 0.00 4.28 1.03 -1.95 -2.95 112.91 117.69 3da1 h THR 400 Ca -0.07 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 3da1 h THR 400 Cb 1.48 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 70.12 3da1 h THR 400 CO 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.68 3da1 n ALA 401 N -2.03 2.05 -0.02 0.00 0.00 -1.26 -2.29 120.51 116.95 3da1 n ALA 401 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.42 3da1 n ALA 401 Cb 0.36 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 3da1 n ALA 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3da1 n ALA 402 N -1.27 2.44 -2.34 0.00 0.00 -1.11 -4.95 120.51 113.28 3da1 n ALA 402 Ca 0.10 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 3da1 n ALA 402 Cb 0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 3da1 n ALA 402 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3da1 s ILE 403 N -3.08 4.10 0.38 0.00 -1.09 -0.97 -5.00 121.20 115.54 3da1 s ILE 403 Ca -0.07 1.30 -0.26 0.00 -2.23 0.00 0.00 60.65 59.39 3da1 s ILE 403 Cb 0.10 -3.94 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 3da1 s ILE 403 CO 0.74 -0.23 1.16 -0.13 -1.23 0.00 0.00 174.94 175.26 3da1 s ARG 404 N 3.86 4.15 0.81 2.79 1.81 -1.26 -4.90 118.95 126.21 3da1 s ARG 404 Ca 0.59 1.84 -0.10 0.00 -1.72 0.00 0.00 55.73 56.33 3da1 s ARG 404 Cb -0.22 -2.75 0.11 0.00 -0.45 0.00 0.00 34.95 31.64 3da1 s ARG 404 CO 0.20 -0.24 1.15 -0.51 -0.68 0.00 0.00 175.30 175.22 3da1 s LEU 405 N -2.34 2.69 -0.05 2.53 1.43 -0.34 -4.87 118.68 117.73 3da1 s LEU 405 Ca 0.55 0.45 -0.34 0.00 -1.03 0.00 0.00 54.13 53.76 3da1 s LEU 405 Cb -0.31 -2.86 -0.12 0.00 0.03 0.00 0.00 46.19 42.93 3da1 s LEU 405 CO 0.39 -2.02 1.81 -0.24 0.23 0.00 0.00 176.35 176.51 3da1 n SER 406 N -3.27 3.31 0.00 2.29 2.88 -0.48 -0.16 113.62 118.19 3da1 n SER 406 Ca 0.10 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3da1 n SER 406 Cb 0.60 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 3da1 n SER 406 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3da1 n GLY 407 N 4.18 1.62 3.77 0.46 0.00 -1.26 -4.82 105.19 109.14 3da1 n GLY 407 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3da1 n GLY 407 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3da1 s GLY 408 N -1.97 2.98 0.43 -0.02 0.00 0.78 -1.47 107.32 108.06 3da1 s GLY 408 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 44.72 45.76 3da1 s GLY 408 CO 0.00 1.89 0.96 1.08 0.00 0.00 0.00 173.10 177.03 3da1 s LEU 409 N -1.92 3.94 0.18 0.66 1.43 -1.26 -4.85 118.68 116.85 3da1 s LEU 409 Ca 0.50 1.72 -0.09 0.00 -1.03 0.00 0.00 54.13 55.24 3da1 s LEU 409 Cb -0.39 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.36 3da1 s LEU 409 CO 0.52 -0.40 1.61 0.00 0.23 0.00 0.00 176.35 178.30 3da1 h ALA 410 N 1.91 0.78 0.00 4.21 0.00 -1.94 -2.40 119.26 121.82 3da1 h ALA 410 Ca -0.49 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3da1 h ALA 410 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3da1 h ALA 410 CO 0.61 0.67 0.00 0.39 0.00 0.00 0.00 179.25 180.92 3da1 n GLU 411 N -4.14 0.11 -0.05 0.00 4.71 -1.26 -4.99 120.64 115.01 3da1 n GLU 411 Ca 0.02 0.21 0.01 0.00 -0.01 0.00 0.00 57.16 57.38 3da1 n GLU 411 Cb 0.40 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.33 3da1 n GLU 411 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3da1 n GLY 412 N -0.11 -1.76 0.04 0.62 0.00 -0.91 -4.32 105.19 98.76 3da1 n GLY 412 Ca 0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 3da1 n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da1 h ALA 413 N -0.35 -0.09 -1.73 4.61 0.00 -1.81 -3.33 119.26 116.56 3da1 h ALA 413 Ca 0.00 0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.39 3da1 h ALA 413 Cb 0.05 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3da1 h ALA 413 CO 0.00 -0.13 1.46 1.14 0.00 0.00 0.00 179.25 181.73 3da1 s GLN 414 N -3.23 2.73 0.00 0.00 1.03 -1.26 -0.86 119.66 118.07 3da1 s GLN 414 Ca -0.01 1.39 0.00 0.00 0.04 0.00 0.00 55.36 56.78 3da1 s GLN 414 Cb 0.01 -4.41 0.00 0.00 0.03 0.00 0.00 33.01 28.64 3da1 s GLN 414 CO 0.06 -2.57 0.00 0.41 -2.54 0.00 0.00 175.29 170.65 3da1 n GLY 415 N 5.75 -0.14 0.13 2.60 0.00 -1.25 -4.84 105.19 107.43 3da1 n GLY 415 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 3da1 n GLY 415 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3da1 h PHE 416 N 0.00 0.44 0.16 1.61 3.57 -1.17 -2.46 116.94 119.08 3da1 h PHE 416 Ca 0.00 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 3da1 h PHE 416 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3da1 h PHE 416 CO 0.00 1.11 -0.08 -1.35 -2.23 0.00 0.00 178.31 175.76 3da1 h PRO 417 N 0.14 -0.21 -0.77 6.41 0.11 -1.95 -1.06 132.00 134.68 3da1 h PRO 417 Ca -0.08 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.13 3da1 h PRO 417 Cb 1.65 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.75 3da1 h PRO 417 CO 0.16 -0.00 0.50 -0.09 -0.21 0.00 0.00 178.00 178.36 3da1 h ARG 418 N -0.38 0.74 -0.30 1.05 2.43 -1.98 -0.53 114.38 115.42 3da1 h ARG 418 Ca -0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3da1 h ARG 418 Cb 0.30 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3da1 h ARG 418 CO 0.04 0.49 0.18 0.35 -1.51 0.00 0.00 179.97 179.51 3da1 h PHE 419 N 0.76 0.39 -0.40 2.20 3.57 -0.98 0.10 116.94 122.59 3da1 h PHE 419 Ca 0.34 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.68 3da1 h PHE 419 Cb 0.33 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3da1 h PHE 419 CO -0.00 0.29 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.94 3da1 h LEU 420 N 0.38 1.00 -1.20 0.59 3.38 -0.26 0.72 115.31 119.91 3da1 h LEU 420 Ca 0.11 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3da1 h LEU 420 Cb 0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3da1 h LEU 420 CO -0.02 1.25 0.45 0.44 0.09 0.00 0.00 178.44 180.65 3da1 h ASP 421 N 0.77 0.87 0.19 -0.43 5.19 -0.92 0.20 116.42 122.29 3da1 h ASP 421 Ca 0.07 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 3da1 h ASP 421 Cb 0.95 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3da1 h ASP 421 CO 0.09 0.67 -0.09 -0.33 -3.12 0.00 0.00 179.24 176.46 3da1 h GLU 422 N 1.01 -0.24 0.00 3.56 5.08 -0.60 -3.00 114.58 120.39 3da1 h GLU 422 Ca 0.27 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3da1 h GLU 422 Cb -0.05 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3da1 h GLU 422 CO -0.05 0.14 -0.03 0.00 -1.00 0.00 0.00 179.01 178.07 3da1 h ALA 423 N -0.47 1.64 -0.48 3.43 0.00 -0.77 -0.50 119.26 122.12 3da1 h ALA 423 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3da1 h ALA 423 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3da1 h ALA 423 CO 0.04 0.03 -0.20 1.03 0.00 0.00 0.00 179.25 180.16 3da1 h SER 424 N 0.00 1.00 0.53 0.00 0.87 -0.65 -1.79 113.55 113.51 3da1 h SER 424 Ca -0.00 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 59.97 3da1 h SER 424 Cb 0.06 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3da1 h SER 424 CO 0.00 1.17 -0.86 0.03 -0.53 0.00 0.00 176.83 176.64 3da1 h ARG 425 N 0.82 0.23 -0.12 2.24 3.08 -1.04 -2.47 114.38 117.12 3da1 h ARG 425 Ca 0.11 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.76 3da1 h ARG 425 Cb 0.77 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3da1 h ARG 425 CO 0.06 0.96 -0.61 0.87 -1.07 0.00 0.00 179.97 180.18 3da1 h LYS 426 N 0.13 0.42 -0.09 0.04 1.57 -1.10 -2.19 116.57 115.36 3da1 h LYS 426 Ca -0.04 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.28 3da1 h LYS 426 Cb 1.48 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 3da1 h LYS 426 CO 0.13 0.90 -0.66 0.78 -0.57 0.00 0.00 179.45 180.04 3da1 h GLY 427 N 1.23 0.40 1.05 3.86 0.00 -1.34 -3.06 103.07 105.20 3da1 h GLY 427 Ca -0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 3da1 h GLY 427 CO 0.11 0.46 0.12 0.00 0.00 0.00 0.00 176.54 177.23 3da1 h ALA 428 N 1.04 0.85 0.00 3.60 0.00 -1.26 -1.86 119.26 121.63 3da1 h ALA 428 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3da1 h ALA 428 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3da1 h ALA 428 CO 0.11 0.60 0.00 0.87 0.00 0.00 0.00 179.25 180.82 3da1 h LYS 429 N 0.97 0.00 -0.40 0.00 1.57 -1.29 0.41 116.57 117.82 3da1 h LYS 429 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3da1 h LYS 429 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3da1 h LYS 429 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 3da1 n LEU 430 N -2.57 2.25 -0.14 2.94 4.77 -0.72 -4.89 117.00 118.64 3da1 n LEU 430 Ca -0.01 -1.11 -0.01 0.00 -0.03 0.00 0.00 56.01 54.85 3da1 n LEU 430 Cb 0.08 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3da1 n LEU 430 CO 0.15 0.55 -0.01 0.61 -1.33 0.00 0.00 177.39 177.37 3da1 n GLY 431 N 1.18 0.42 3.62 -0.72 0.00 0.14 -5.01 105.19 104.82 3da1 n GLY 431 Ca 0.14 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 3da1 n GLY 431 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3da1 s PHE 432 N -2.16 2.59 -0.13 1.61 0.08 -1.06 -5.02 117.98 113.90 3da1 s PHE 432 Ca 0.00 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.45 3da1 s PHE 432 Cb -0.00 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 3da1 s PHE 432 CO 0.00 0.58 1.49 0.34 -0.10 0.00 0.00 175.22 177.53 3da1 s ASP 433 N -3.67 6.74 0.28 1.36 -1.08 -1.26 -4.04 116.67 115.00 3da1 s ASP 433 Ca 0.32 1.91 0.02 0.00 -0.52 0.00 0.00 52.55 54.28 3da1 s ASP 433 Cb -0.04 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.53 3da1 s ASP 433 CO 0.19 -0.91 1.72 0.00 0.52 0.00 0.00 175.17 176.69 3da1 h ALA 434 N 9.16 1.37 -0.23 3.66 0.00 -1.92 0.03 119.26 131.33 3da1 h ALA 434 Ca -0.33 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3da1 h ALA 434 Cb 1.14 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3da1 h ALA 434 CO 0.97 -0.25 -0.51 0.22 0.00 0.00 0.00 179.25 179.68 3da1 h ASP 435 N 0.48 0.70 0.02 0.00 3.58 -1.90 -1.27 116.42 118.02 3da1 h ASP 435 Ca 0.52 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 3da1 h ASP 435 Cb 0.90 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.75 3da1 h ASP 435 CO -0.47 1.08 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.89 3da1 h GLU 436 N 0.50 -0.02 -0.27 0.28 4.57 -1.46 -2.49 114.58 115.69 3da1 h GLU 436 Ca 0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 3da1 h GLU 436 Cb 1.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 3da1 h GLU 436 CO 0.10 0.14 -0.18 -0.39 -1.18 0.00 0.00 179.01 177.50 3da1 h VAL 437 N -0.18 1.24 -0.01 0.32 -1.51 -1.10 -2.48 116.25 112.54 3da1 h VAL 437 Ca -0.00 -1.12 0.03 0.00 -1.23 0.00 0.00 66.70 64.38 3da1 h VAL 437 Cb 0.17 1.23 -0.05 0.00 -2.13 0.00 0.00 31.29 30.51 3da1 h VAL 437 CO 0.00 0.36 -0.39 -0.09 -1.23 0.00 0.00 177.57 176.22 3da1 h ARG 438 N 0.44 -0.52 -0.68 5.19 2.43 -1.00 0.27 114.38 120.50 3da1 h ARG 438 Ca 0.07 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 3da1 h ARG 438 Cb 0.57 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 3da1 h ARG 438 CO 0.04 -0.35 0.46 0.00 -1.51 0.00 0.00 179.97 178.61 3da1 h ARG 439 N -0.54 0.31 -0.02 0.20 3.08 -1.21 0.48 114.38 116.68 3da1 h ARG 439 Ca 0.05 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 3da1 h ARG 439 Cb 0.63 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3da1 h ARG 439 CO -0.31 0.21 -0.74 -0.07 -1.07 0.00 0.00 179.97 177.99 3da1 h LEU 440 N 0.32 0.20 -0.33 3.04 3.38 -0.62 -2.05 115.31 119.25 3da1 h LEU 440 Ca 0.33 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3da1 h LEU 440 Cb 0.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3da1 h LEU 440 CO -0.09 0.86 -0.02 0.00 0.09 0.00 0.00 178.44 179.29 3da1 h ALA 441 N 1.13 0.44 -0.90 1.53 0.00 0.16 0.37 119.26 122.00 3da1 h ALA 441 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3da1 h ALA 441 Cb 1.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3da1 h ALA 441 CO 0.11 0.22 0.59 -0.22 0.00 0.00 0.00 179.25 179.95 3da1 h LYS 442 N 0.39 1.18 0.49 0.00 1.63 -1.21 0.32 116.57 119.37 3da1 h LYS 442 Ca 0.09 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3da1 h LYS 442 Cb 0.48 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3da1 h LYS 442 CO 0.02 0.79 -0.24 1.25 -3.45 0.00 0.00 179.45 177.82 3da1 h LEU 443 N 1.22 -0.56 -0.10 5.20 6.46 -0.82 -3.36 115.31 123.34 3da1 h LEU 443 Ca 0.33 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 3da1 h LEU 443 Cb -0.13 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3da1 h LEU 443 CO -0.07 -0.30 -0.12 -1.22 -0.62 0.00 0.00 178.44 176.11 3da1 n TYR 444 N -4.35 0.00 -4.62 1.25 4.01 0.13 -4.85 117.16 108.73 3da1 n TYR 444 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3da1 n TYR 444 Cb 0.26 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3da1 n TYR 444 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3da1 n GLY 445 N 1.37 -0.96 0.22 2.72 0.00 0.11 -2.69 105.19 105.95 3da1 n GLY 445 Ca 0.11 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 45.09 3da1 n GLY 445 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3da1 h SER 446 N 0.00 0.00 0.00 1.61 4.64 -1.52 -1.02 113.55 117.26 3da1 h SER 446 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3da1 h SER 446 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3da1 h SER 446 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 3da1 n ASN 447 N -2.22 0.00 -0.21 4.97 3.02 -1.09 -3.25 115.26 116.47 3da1 n ASN 447 Ca -0.01 -0.66 -0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3da1 n ASN 447 Cb 0.46 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.85 3da1 n ASN 447 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3da1 h VAL 448 N 0.00 1.20 -0.47 2.41 2.07 -1.36 -1.99 116.25 118.11 3da1 h VAL 448 Ca 0.00 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.17 3da1 h VAL 448 Cb 0.00 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 29.84 3da1 h VAL 448 CO 0.00 0.21 -0.11 0.44 0.02 0.00 0.00 177.57 178.13 3da1 h ASP 449 N 1.01 -0.42 -0.95 0.57 3.32 -1.84 0.67 116.42 118.77 3da1 h ASP 449 Ca 0.27 0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.55 3da1 h ASP 449 Cb -0.05 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 3da1 h ASP 449 CO -0.05 -0.15 0.59 0.45 -1.72 0.00 0.00 179.24 178.36 3da1 h HIS 450 N 0.01 1.09 0.00 4.55 3.86 -1.63 0.21 115.15 123.23 3da1 h HIS 450 Ca 0.22 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 3da1 h HIS 450 Cb 0.34 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3da1 h HIS 450 CO -0.40 0.49 -0.34 -0.24 0.86 0.00 0.00 177.93 178.30 3da1 h VAL 451 N 1.01 0.62 0.00 2.45 3.04 -0.82 -2.85 116.25 119.69 3da1 h VAL 451 Ca 0.44 -1.74 -0.04 0.00 -1.01 0.00 0.00 66.70 64.35 3da1 h VAL 451 Cb 0.33 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 3da1 h VAL 451 CO -0.22 0.33 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.40 3da1 h LEU 452 N 0.00 0.00 0.02 3.16 4.07 0.20 -2.02 115.31 120.75 3da1 h LEU 452 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3da1 h LEU 452 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 3da1 h LEU 452 CO 0.04 0.20 -0.01 0.78 -1.08 0.00 0.00 178.44 178.37 3da1 h ASN 453 N 0.00 -0.03 -0.33 -0.43 2.35 -0.50 -1.89 115.58 114.75 3da1 h ASN 453 Ca -0.00 -0.72 0.01 0.00 -0.55 0.00 0.00 56.30 55.03 3da1 h ASN 453 Cb 1.09 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 3da1 h ASN 453 CO 0.03 0.78 0.20 1.88 -1.65 0.00 0.00 177.43 178.66 3da1 h TYR 454 N -0.89 0.38 -0.63 1.19 0.05 -1.59 0.15 116.97 115.62 3da1 h TYR 454 Ca -0.00 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.82 3da1 h TYR 454 Cb 0.75 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 3da1 h TYR 454 CO 0.19 0.23 0.38 0.00 -1.05 0.00 0.00 178.16 177.91 3da1 h ALA 455 N 1.14 0.83 0.56 3.88 0.00 -1.47 -0.09 119.26 124.10 3da1 h ALA 455 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3da1 h ALA 455 Cb -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3da1 h ALA 455 CO -0.05 0.12 -0.27 -0.92 0.00 0.00 0.00 179.25 178.13 3da1 h TYR 456 N 0.75 -0.69 -1.03 0.00 3.20 -0.77 -3.15 116.97 115.27 3da1 h TYR 456 Ca 0.26 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.40 3da1 h TYR 456 Cb 0.05 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3da1 h TYR 456 CO -0.06 -0.43 0.72 0.93 -1.64 0.00 0.00 178.16 177.68 3da1 h GLU 457 N -0.79 0.14 -0.99 1.82 5.08 -0.59 -2.85 114.58 116.40 3da1 h GLU 457 Ca -0.08 -0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.73 3da1 h GLU 457 Cb 0.57 -0.03 -0.30 0.00 0.50 0.00 0.00 28.75 29.49 3da1 h GLU 457 CO 0.13 0.09 0.69 0.41 -1.00 0.00 0.00 179.01 179.33 3da1 n GLY 458 N -1.65 4.79 0.27 -3.84 0.00 -0.06 -4.58 105.19 100.11 3da1 n GLY 458 Ca 0.23 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.91 3da1 n GLY 458 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3da1 h LYS 459 N 1.20 0.49 0.00 1.61 -0.00 -1.56 0.27 116.57 118.58 3da1 h LYS 459 Ca 0.63 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.65 61.07 3da1 h LYS 459 Cb 2.45 -0.07 0.01 0.00 -0.00 0.00 0.00 32.23 34.62 3da1 h LYS 459 CO 1.20 0.54 -0.39 1.49 -0.00 0.00 0.00 179.45 182.29 3da1 h GLU 460 N 0.47 0.26 -0.37 0.07 4.81 -1.88 -2.90 114.58 115.03 3da1 h GLU 460 Ca 0.10 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3da1 h GLU 460 Cb 0.36 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3da1 h GLU 460 CO 0.01 1.00 0.18 0.93 -0.73 0.00 0.00 179.01 180.40 3da1 h GLU 461 N -0.36 0.35 -0.73 1.92 3.07 -1.84 -1.53 114.58 115.46 3da1 h GLU 461 Ca -0.05 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.83 3da1 h GLU 461 Cb 1.14 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.92 3da1 h GLU 461 CO 0.08 0.23 0.45 0.00 -1.40 0.00 0.00 179.01 178.37 3da1 h ALA 462 N 1.20 0.97 -0.17 3.43 0.00 -1.01 -1.16 119.26 122.51 3da1 h ALA 462 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3da1 h ALA 462 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3da1 h ALA 462 CO -0.12 0.21 0.07 1.49 0.00 0.00 0.00 179.25 180.89 3da1 h GLU 463 N 0.86 0.26 -0.08 0.00 4.22 -1.25 -0.31 114.58 118.30 3da1 h GLU 463 Ca 0.30 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.72 3da1 h GLU 463 Cb 0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3da1 h GLU 463 CO -0.13 0.34 0.06 1.25 -2.18 0.00 0.00 179.01 178.35 3da1 h HIS 464 N 0.12 0.00 -0.55 0.92 2.76 -0.87 0.66 115.15 118.19 3da1 h HIS 464 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3da1 h HIS 464 Cb 0.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3da1 h HIS 464 CO -0.01 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.28 3da1 n TYR 465 N -4.27 1.55 -4.29 5.26 4.01 -0.48 -4.98 117.16 113.96 3da1 n TYR 465 Ca -0.01 -0.69 -0.32 0.00 -0.16 0.00 0.00 57.90 56.72 3da1 n TYR 465 Cb 0.17 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.79 3da1 n TYR 465 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3da1 n GLY 466 N 0.67 -0.21 3.05 2.72 0.00 0.22 -4.87 105.19 106.77 3da1 n GLY 466 Ca 0.25 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 3da1 n GLY 466 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3da1 s LEU 467 N -7.28 1.40 0.14 0.99 0.05 -0.43 -4.97 118.68 108.59 3da1 s LEU 467 Ca 0.20 0.24 -0.34 0.00 0.05 0.00 0.00 54.13 54.28 3da1 s LEU 467 Cb -0.11 0.58 -0.16 0.00 -2.05 0.00 0.00 46.19 44.45 3da1 s LEU 467 CO 0.98 -0.11 1.32 -0.81 -0.55 0.00 0.00 176.35 177.18 3da1 n PRO 468 N 2.75 1.38 -0.31 1.48 -0.04 -1.26 -4.25 135.00 134.75 3da1 n PRO 468 Ca -0.14 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 3da1 n PRO 468 Cb 0.58 -2.11 0.32 0.00 -0.04 0.00 0.00 33.50 32.25 3da1 n PRO 468 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3da1 h ALA 469 N 4.32 1.48 0.00 0.55 0.00 -1.90 0.25 119.26 123.96 3da1 h ALA 469 Ca -0.46 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3da1 h ALA 469 Cb 1.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3da1 h ALA 469 CO 0.76 -0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 179.51 3da1 h LEU 470 N 0.43 0.00 0.17 0.00 4.07 -1.90 -0.77 115.31 117.32 3da1 h LEU 470 Ca 0.57 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 58.23 3da1 h LEU 470 Cb 1.07 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.83 3da1 h LEU 470 CO -0.52 0.11 -1.36 0.25 -1.08 0.00 0.00 178.44 175.84 3da1 h LEU 471 N 0.00 0.56 -1.34 1.67 5.85 -0.88 -3.03 115.31 118.13 3da1 h LEU 471 Ca -0.00 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 3da1 h LEU 471 Cb 0.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3da1 h LEU 471 CO 0.01 1.49 -0.11 0.25 -0.34 0.00 0.00 178.44 179.75 3da1 h LEU 472 N 0.10 0.29 -0.50 2.25 7.12 -0.69 -2.46 115.31 121.42 3da1 h LEU 472 Ca -0.19 -0.06 -0.10 0.00 0.13 0.00 0.00 57.88 57.66 3da1 h LEU 472 Cb 2.04 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 42.08 3da1 h LEU 472 CO 0.22 0.44 -0.07 1.23 -0.13 0.00 0.00 178.44 180.13 3da1 h GLY 473 N 0.77 1.01 2.00 3.75 0.00 -1.13 -2.36 103.07 107.11 3da1 h GLY 473 Ca 0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 3da1 h GLY 473 CO 0.02 0.73 -0.18 1.46 0.00 0.00 0.00 176.54 178.57 3da1 h GLN 474 N 0.79 0.00 0.03 4.80 4.20 -1.33 -2.22 115.11 121.38 3da1 h GLN 474 Ca 0.13 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3da1 h GLN 474 Cb 0.62 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.40 3da1 h GLN 474 CO 0.04 0.18 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.08 3da1 h LEU 475 N 0.00 0.16 -0.88 1.46 3.38 -1.21 -1.49 115.31 116.73 3da1 h LEU 475 Ca -0.00 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.04 3da1 h LEU 475 Cb 0.35 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3da1 h LEU 475 CO 0.02 1.04 0.38 1.56 0.09 0.00 0.00 178.44 181.54 3da1 h GLN 476 N -0.70 1.19 -0.21 1.13 4.20 -1.41 0.33 115.11 119.65 3da1 h GLN 476 Ca -0.04 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3da1 h GLN 476 Cb 1.10 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3da1 h GLN 476 CO 0.04 0.92 0.06 -0.92 -0.67 0.00 0.00 178.83 178.27 3da1 h TYR 477 N 1.18 0.33 -0.55 2.96 3.20 -1.49 0.44 116.97 123.04 3da1 h TYR 477 Ca 0.28 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3da1 h TYR 477 Cb 0.14 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3da1 h TYR 477 CO 0.02 0.41 0.30 0.78 -1.64 0.00 0.00 178.16 178.02 3da1 h GLY 478 N 0.16 0.78 0.25 1.82 0.00 -0.55 0.68 103.07 106.21 3da1 h GLY 478 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3da1 h GLY 478 CO -0.00 0.15 -0.02 -0.39 0.00 0.00 0.00 176.54 176.27 3da1 h VAL 479 N 0.58 1.29 0.00 4.60 -1.51 -0.20 0.38 116.25 121.39 3da1 h VAL 479 Ca 0.24 -1.57 -0.03 0.00 -1.23 0.00 0.00 66.70 64.10 3da1 h VAL 479 Cb 0.11 2.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.52 3da1 h VAL 479 CO -0.14 0.37 -0.16 -0.33 -1.23 0.00 0.00 177.57 176.08 3da1 h GLU 480 N -0.82 0.00 0.00 5.19 5.08 -0.09 -0.99 114.58 122.95 3da1 h GLU 480 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3da1 h GLU 480 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3da1 h GLU 480 CO 0.01 0.16 0.00 1.04 -1.00 0.00 0.00 179.01 179.22 3da1 n GLN 481 N -3.20 0.04 0.08 2.33 6.02 0.23 -3.39 117.38 119.50 3da1 n GLN 481 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3da1 n GLN 481 Cb 0.50 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.18 3da1 n GLN 481 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3da1 n GLU 482 N -0.03 0.00 -3.21 -1.09 1.02 -0.55 -4.93 120.64 111.85 3da1 n GLU 482 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3da1 n GLU 482 Cb 0.28 -0.25 -0.04 0.00 -0.02 0.00 0.00 31.44 31.41 3da1 n GLU 482 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3da1 s VAL 484 N -1.89 -0.06 0.00 2.62 1.01 0.13 -4.87 120.40 117.34 3da1 s VAL 484 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3da1 s VAL 484 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3da1 s VAL 484 CO 0.00 0.00 0.39 0.00 0.00 0.00 0.00 175.10 175.49 3da1 n ALA 485 N 4.47 2.07 -2.61 5.51 0.00 -1.26 -4.31 120.51 124.37 3da1 n ALA 485 Ca -0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 3da1 n ALA 485 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 3da1 n ALA 485 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3da1 s THR 486 N -0.05 0.52 0.30 0.00 2.01 -1.26 -5.03 115.64 112.14 3da1 s THR 486 Ca 0.00 -1.37 0.07 0.00 0.31 0.00 0.00 61.69 60.70 3da1 s THR 486 Cb 0.00 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.59 3da1 s THR 486 CO 0.00 -0.58 1.72 -0.65 -0.69 0.00 0.00 174.62 174.42 3da1 h PRO 487 N 3.96 0.22 -0.58 4.92 0.11 -1.97 -2.44 132.00 136.21 3da1 h PRO 487 Ca -0.35 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3da1 h PRO 487 Cb 1.19 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3da1 h PRO 487 CO 0.50 0.59 0.11 -0.07 -0.21 0.00 0.00 178.00 178.92 3da1 h LEU 488 N 0.19 0.87 -0.20 2.35 3.38 -1.96 -0.81 115.31 119.13 3da1 h LEU 488 Ca 0.02 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3da1 h LEU 488 Cb 0.79 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3da1 h LEU 488 CO 0.06 0.87 -0.06 0.44 0.09 0.00 0.00 178.44 179.84 3da1 h ASP 489 N 0.88 -0.21 0.22 -0.43 3.32 -1.84 -1.85 116.42 116.50 3da1 h ASP 489 Ca 0.18 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3da1 h ASP 489 Cb 0.36 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3da1 h ASP 489 CO 0.00 -0.08 -0.11 0.15 -1.72 0.00 0.00 179.24 177.49 3da1 h PHE 490 N -0.01 -0.27 0.00 4.55 3.57 -1.35 -1.66 116.94 121.76 3da1 h PHE 490 Ca 0.10 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3da1 h PHE 490 Cb 0.16 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3da1 h PHE 490 CO -0.22 0.11 -0.22 0.74 -2.23 0.00 0.00 178.31 176.48 3da1 h PHE 491 N -0.78 0.00 0.00 0.41 0.04 -1.18 -2.37 116.94 113.06 3da1 h PHE 491 Ca -0.03 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.54 3da1 h PHE 491 Cb 0.51 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 3da1 h PHE 491 CO 0.05 0.22 -1.77 1.55 -0.60 0.00 0.00 178.31 177.77 3da1 n VAL 492 N -3.72 0.77 -0.08 -0.55 3.14 -0.70 0.13 118.33 117.33 3da1 n VAL 492 Ca -0.01 -0.38 -0.08 0.00 -2.96 0.00 0.00 64.34 60.90 3da1 n VAL 492 Cb 0.34 -0.85 -0.11 0.00 -1.06 0.00 0.00 33.84 32.15 3da1 n VAL 492 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3da1 n ARG 493 N -2.66 1.36 0.08 1.45 1.74 -0.82 -2.80 116.66 115.02 3da1 n ARG 493 Ca -0.21 0.02 0.01 0.00 -0.77 0.00 0.00 57.85 56.90 3da1 n ARG 493 Cb 0.81 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 3da1 n ARG 493 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3da1 h ARG 494 N 0.00 0.00 0.00 5.56 2.47 -1.26 -3.40 114.38 117.74 3da1 h ARG 494 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 3da1 h ARG 494 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 3da1 h ARG 494 CO 0.00 0.39 -0.96 0.25 0.56 0.00 0.00 179.97 180.22 3da1 n THR 495 N -3.04 0.00 -1.01 2.04 -2.24 -0.90 -5.01 114.28 104.13 3da1 n THR 495 Ca -0.04 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3da1 n THR 495 Cb 0.79 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3da1 n THR 495 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3da1 n GLY 496 N 2.95 0.47 0.37 3.38 0.00 -1.12 -4.92 105.19 106.31 3da1 n GLY 496 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3da1 n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da1 h ALA 497 N 0.00 1.54 -0.94 4.61 0.00 -1.10 -1.03 119.26 122.34 3da1 h ALA 497 Ca -0.01 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.08 3da1 h ALA 497 Cb 0.09 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.53 3da1 h ALA 497 CO 0.01 0.30 0.52 1.25 0.00 0.00 0.00 179.25 181.33 3da1 h LEU 498 N 1.00 0.63 0.04 0.00 5.85 -0.60 0.36 115.31 122.60 3da1 h LEU 498 Ca 0.41 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 59.07 3da1 h LEU 498 Cb 0.29 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3da1 h LEU 498 CO -0.17 0.20 -0.89 -0.26 -0.34 0.00 0.00 178.44 176.98 3da1 h PHE 499 N 0.65 0.17 -0.02 1.25 0.04 -1.65 -3.33 116.94 114.05 3da1 h PHE 499 Ca 0.55 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 61.19 3da1 h PHE 499 Cb 0.88 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3da1 h PHE 499 CO -0.05 1.35 -0.18 1.19 -0.60 0.00 0.00 178.31 180.01 3da1 n PHE 500 N -4.31 0.00 -2.68 -0.55 3.72 -0.46 -4.52 117.46 108.66 3da1 n PHE 500 Ca -0.22 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.13 3da1 n PHE 500 Cb 0.70 -0.02 0.11 0.00 -0.94 0.00 0.00 39.48 39.32 3da1 n PHE 500 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3da1 n ASN 501 N 0.38 -1.67 -0.08 4.37 4.05 0.11 -4.89 115.26 117.53 3da1 n ASN 501 Ca 0.13 -2.28 0.26 0.00 0.45 0.00 0.00 54.58 53.14 3da1 n ASN 501 Cb 0.47 0.91 0.70 0.00 1.23 0.00 0.00 39.78 43.09 3da1 n ASN 501 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 3da1 h ILE 502 N 2.24 0.36 0.00 -1.44 2.10 -1.25 0.61 117.51 120.14 3da1 h ILE 502 Ca -0.34 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.52 3da1 h ILE 502 Cb 1.29 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.50 3da1 h ILE 502 CO -0.11 0.00 -0.35 0.77 -1.08 0.00 0.00 178.15 177.38 3da1 h SER 503 N 0.00 0.00 -0.35 2.19 4.64 -1.92 -2.42 113.55 115.70 3da1 h SER 503 Ca 0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 3da1 h SER 503 Cb 1.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 3da1 h SER 503 CO -0.00 0.35 -0.10 0.25 -0.87 0.00 0.00 176.83 176.45 3da1 h LEU 504 N 0.00 0.70 -1.00 5.97 6.46 -0.11 -0.60 115.31 126.73 3da1 h LEU 504 Ca -0.00 -0.37 -0.10 0.00 -0.12 0.00 0.00 57.88 57.28 3da1 h LEU 504 Cb 0.92 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 3da1 h LEU 504 CO 0.05 0.91 -0.39 1.62 -0.62 0.00 0.00 178.44 180.01 3da1 h VAL 505 N 0.48 1.30 -0.57 1.05 3.04 -1.47 -1.42 116.25 118.65 3da1 h VAL 505 Ca 0.09 -1.46 -0.05 0.00 -1.01 0.00 0.00 66.70 64.27 3da1 h VAL 505 Cb 0.62 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 3da1 h VAL 505 CO 0.04 0.43 0.16 0.45 -1.01 0.00 0.00 177.57 177.64 3da1 h HIS 506 N 0.18 0.95 -0.77 3.17 3.86 -1.11 0.59 115.15 122.02 3da1 h HIS 506 Ca 0.02 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 3da1 h HIS 506 Cb 0.78 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 3da1 h HIS 506 CO 0.01 0.80 0.32 1.96 0.86 0.00 0.00 177.93 181.89 3da1 h GLN 507 N 0.82 1.14 -0.34 2.45 4.20 -0.71 -3.28 115.11 119.38 3da1 h GLN 507 Ca 0.18 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3da1 h GLN 507 Cb 0.32 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3da1 h GLN 507 CO -0.00 0.91 0.00 0.91 -0.67 0.00 0.00 178.83 179.98 3da1 n TRP 508 N -4.29 0.53 0.12 2.96 7.02 -0.57 -4.62 117.44 118.59 3da1 n TRP 508 Ca 0.07 -0.55 0.02 0.00 -1.02 0.00 0.00 57.50 56.02 3da1 n TRP 508 Cb 0.17 -0.06 0.35 0.00 -2.42 0.00 0.00 31.31 29.35 3da1 n TRP 508 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3da1 h LYS 509 N 2.02 0.22 0.32 -0.99 2.10 -0.94 -0.74 116.57 118.55 3da1 h LYS 509 Ca 0.00 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 3da1 h LYS 509 Cb 0.83 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3da1 h LYS 509 CO 0.03 0.42 -0.15 1.49 -2.00 0.00 0.00 179.45 179.24 3da1 h GLU 510 N 0.21 -0.41 -0.97 0.07 4.57 -1.82 -2.10 114.58 114.13 3da1 h GLU 510 Ca 0.04 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.44 3da1 h GLU 510 Cb 0.48 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.08 3da1 h GLU 510 CO 0.03 -0.27 0.61 0.00 -1.18 0.00 0.00 179.01 178.20 3da1 h ALA 511 N -1.63 1.91 -0.12 2.92 0.00 -1.86 -0.87 119.26 119.62 3da1 h ALA 511 Ca -0.04 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3da1 h ALA 511 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3da1 h ALA 511 CO 0.07 -0.24 -0.19 0.28 0.00 0.00 0.00 179.25 179.17 3da1 h VAL 512 N 0.62 1.37 -0.58 0.00 2.07 -1.18 -2.60 116.25 115.94 3da1 h VAL 512 Ca 0.53 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3da1 h VAL 512 Cb 1.01 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 3da1 h VAL 512 CO -0.28 0.42 0.22 -0.07 0.02 0.00 0.00 177.57 177.88 3da1 h LEU 513 N -0.07 0.78 -0.66 2.57 3.38 -0.77 -2.61 115.31 117.94 3da1 h LEU 513 Ca 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3da1 h LEU 513 Cb 0.76 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3da1 h LEU 513 CO 0.04 0.71 0.35 -0.09 0.09 0.00 0.00 178.44 179.54 3da1 h ARG 514 N 0.84 0.92 -0.77 1.13 1.12 -1.16 -0.66 114.38 115.80 3da1 h ARG 514 Ca 0.20 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 3da1 h ARG 514 Cb 0.18 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3da1 h ARG 514 CO -0.02 0.70 0.00 1.87 -3.11 0.00 0.00 179.97 179.42 3da1 n TRP 515 N -4.52 0.00 0.00 2.20 -0.00 -0.98 -2.84 117.44 111.30 3da1 n TRP 515 Ca 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 3da1 n TRP 515 Cb 0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.33 3da1 n TRP 515 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3da1 n ALA 517 N 0.42 0.00 0.03 5.87 0.00 -0.25 -0.06 120.51 126.51 3da1 n ALA 517 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3da1 n ALA 517 Cb 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 3da1 n ALA 517 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3da1 h GLU 518 N 0.00 0.31 -0.03 0.00 4.22 -1.78 -1.93 114.58 115.37 3da1 h GLU 518 Ca 0.00 -0.46 -0.01 0.00 0.08 0.00 0.00 59.36 58.97 3da1 h GLU 518 Cb 0.00 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3da1 h GLU 518 CO 0.00 1.18 -0.01 0.93 -2.18 0.00 0.00 179.01 178.93 3da1 h GLU 519 N -0.33 0.03 -0.18 1.92 4.39 -0.78 -3.06 114.58 116.57 3da1 h GLU 519 Ca -0.11 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3da1 h GLU 519 Cb 1.50 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3da1 h GLU 519 CO 0.13 0.05 0.00 1.19 -1.16 0.00 0.00 179.01 179.23 3da1 n PHE 520 N -4.50 0.23 -3.52 4.33 3.72 -1.25 -5.01 117.46 111.46 3da1 n PHE 520 Ca -0.03 -0.22 -0.22 0.00 -0.05 0.00 0.00 57.45 56.93 3da1 n PHE 520 Cb 0.11 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3da1 n PHE 520 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3da1 n SER 521 N 0.68 -4.50 -4.80 4.37 7.64 -1.03 -4.94 113.62 111.04 3da1 n SER 521 Ca 0.10 -0.83 -0.35 0.00 1.01 0.00 0.00 58.87 58.79 3da1 n SER 521 Cb 0.37 -4.31 -0.06 0.00 -1.01 0.00 0.00 64.21 59.21 3da1 n SER 521 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3da1 s TRP 522 N -3.49 3.38 0.75 1.43 0.51 -0.76 -5.07 118.94 115.69 3da1 s TRP 522 Ca 0.32 1.66 -0.07 0.00 -2.12 0.00 0.00 56.10 55.89 3da1 s TRP 522 Cb -0.08 -2.95 0.16 0.00 -0.81 0.00 0.00 33.47 29.79 3da1 s TRP 522 CO 0.80 -0.20 1.02 0.25 -0.51 0.00 0.00 176.95 178.31 3da1 n THR 523 N -0.21 0.00 -0.15 2.01 -2.24 -1.26 -4.82 114.28 107.61 3da1 n THR 523 Ca 0.05 -1.12 -0.11 0.00 -2.27 0.00 0.00 64.05 60.60 3da1 n THR 523 Cb 0.52 -1.26 0.01 0.00 -2.10 0.00 0.00 70.33 67.50 3da1 n THR 523 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3da1 h GLU 524 N 0.00 0.98 -0.47 -0.78 3.07 -1.98 -0.45 114.58 114.95 3da1 h GLU 524 Ca -0.33 -0.43 -0.06 0.00 -0.50 0.00 0.00 59.36 58.04 3da1 h GLU 524 Cb 1.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 3da1 h GLU 524 CO 0.29 1.10 0.03 1.05 -1.40 0.00 0.00 179.01 180.08 3da1 h GLU 525 N 0.84 0.76 -0.11 2.33 4.11 -1.98 0.15 114.58 120.68 3da1 h GLU 525 Ca 0.10 -0.18 -0.10 0.00 0.07 0.00 0.00 59.36 59.25 3da1 h GLU 525 Cb 0.81 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3da1 h GLU 525 CO 0.07 0.74 -0.34 0.93 0.07 0.00 0.00 179.01 180.48 3da1 h GLU 526 N 0.72 0.42 -0.36 1.06 5.08 -1.88 -0.40 114.58 119.20 3da1 h GLU 526 Ca 0.15 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3da1 h GLU 526 Cb 0.39 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3da1 h GLU 526 CO 0.01 0.93 0.16 -0.22 -1.00 0.00 0.00 179.01 178.90 3da1 h LYS 527 N -0.01 0.53 -0.33 2.33 3.64 -0.90 0.14 116.57 121.97 3da1 h LYS 527 Ca -0.01 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 3da1 h LYS 527 Cb 0.97 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3da1 h LYS 527 CO 0.07 0.50 -0.06 0.00 -2.27 0.00 0.00 179.45 177.69 3da1 h THR 528 N 0.45 1.27 0.54 1.00 1.03 -0.74 -2.45 112.91 114.01 3da1 h THR 528 Ca 0.12 -1.08 -0.03 0.00 -0.01 0.00 0.00 66.41 65.41 3da1 h THR 528 Cb 0.15 1.31 0.01 0.00 -1.07 0.00 0.00 68.15 68.54 3da1 h THR 528 CO -0.01 0.35 -0.26 -0.09 -0.01 0.00 0.00 175.52 175.50 3da1 h ARG 529 N 0.41 -0.69 0.00 0.00 2.43 -0.96 -1.85 114.38 113.72 3da1 h ARG 529 Ca 0.09 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3da1 h ARG 529 Cb 0.54 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3da1 h ARG 529 CO 0.03 -0.42 0.09 0.74 -1.51 0.00 0.00 179.97 178.90 3da1 h PHE 530 N -0.83 0.00 0.05 2.20 0.04 -0.76 -0.03 116.94 117.61 3da1 h PHE 530 Ca -0.07 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.40 3da1 h PHE 530 Cb 0.59 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 3da1 h PHE 530 CO -0.02 0.00 -1.60 0.37 -0.60 0.00 0.00 178.31 176.46 3da1 h GLN 531 N 0.00 0.10 -0.04 1.51 4.15 -0.97 -3.25 115.11 116.60 3da1 h GLN 531 Ca 0.00 -0.18 -0.22 0.00 0.77 0.00 0.00 58.65 59.03 3da1 h GLN 531 Cb 0.18 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3da1 h GLN 531 CO 0.00 0.83 -0.87 -0.91 -1.93 0.00 0.00 178.83 175.95 3da1 h ASN 532 N 0.03 0.62 -0.07 -0.69 -0.26 -0.26 -1.55 115.58 113.39 3da1 h ASN 532 Ca -0.25 -0.46 0.03 0.00 -0.56 0.00 0.00 56.30 55.06 3da1 h ASN 532 Cb 1.98 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 39.01 3da1 h ASN 532 CO 0.11 1.24 -0.15 -0.33 -1.06 0.00 0.00 177.43 177.24 3da1 h GLU 533 N 0.31 -0.21 -0.19 0.81 5.08 -1.22 0.45 114.58 119.61 3da1 h GLU 533 Ca -0.07 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3da1 h GLU 533 Cb 1.49 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 3da1 h GLU 533 CO 0.16 -0.14 -0.02 1.25 -1.00 0.00 0.00 179.01 179.26 3da1 h LEU 534 N -0.21 0.34 -0.92 1.33 6.46 -1.60 -2.71 115.31 118.00 3da1 h LEU 534 Ca 0.08 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 3da1 h LEU 534 Cb 0.32 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 3da1 h LEU 534 CO -0.20 0.59 0.59 -0.08 -0.62 0.00 0.00 178.44 178.72 3da1 h GLU 535 N 0.08 1.08 -0.19 1.25 4.57 -1.10 -1.91 114.58 118.37 3da1 h GLU 535 Ca 0.05 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3da1 h GLU 535 Cb 0.43 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3da1 h GLU 535 CO 0.01 0.71 0.10 1.15 -1.18 0.00 0.00 179.01 179.81 3da1 h THR 536 N 1.11 1.00 -0.68 0.32 2.02 0.03 -2.28 112.91 114.44 3da1 h THR 536 Ca 0.38 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.44 3da1 h THR 536 Cb 0.09 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3da1 h THR 536 CO -0.15 0.04 0.21 -0.33 0.37 0.00 0.00 175.52 175.66 3da1 h GLU 537 N 0.21 1.06 -0.18 6.66 4.39 -1.16 -2.42 114.58 123.13 3da1 h GLU 537 Ca 0.08 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.57 3da1 h GLU 537 Cb 0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3da1 h GLU 537 CO -0.05 0.92 0.12 -0.07 -1.16 0.00 0.00 179.01 178.78 3da1 h LEU 538 N 0.99 0.12 -1.59 1.33 3.38 -1.16 0.30 115.31 118.68 3da1 h LEU 538 Ca 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3da1 h LEU 538 Cb 0.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3da1 h LEU 538 CO -0.01 0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.90 3da1 n LYS 539 N -4.50 0.91 0.00 1.13 5.02 -0.88 -3.76 118.16 116.08 3da1 n LYS 539 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3da1 n LYS 539 Cb 0.16 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3da1 n LYS 539 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3da1 n ALA 541 N 0.34 0.00 -0.06 7.82 0.00 0.11 -0.45 120.51 128.26 3da1 n ALA 541 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3da1 n ALA 541 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 3da1 n ALA 541 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3da1 n VAL 542 N 0.00 0.78 -3.64 0.00 0.24 -1.25 -2.51 118.33 111.96 3da1 n VAL 542 Ca 0.00 -0.36 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 3da1 n VAL 542 Cb 0.00 -0.90 -0.12 0.00 -1.47 0.00 0.00 33.84 31.35 3da1 n VAL 542 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3da1 s ASP 543 N -5.02 5.59 0.00 -1.34 2.15 0.40 -4.95 116.67 113.50 3da1 s ASP 543 Ca -0.14 -0.65 0.30 0.00 0.43 0.00 0.00 52.55 52.49 3da1 s ASP 543 Cb 0.04 -2.01 1.59 0.00 -0.30 0.00 0.00 42.92 42.25 3da1 s ASP 543 CO 0.36 -0.24 2.08 -0.81 -0.17 0.00 0.00 175.17 176.39 3da1 n PRO 544 N 4.98 0.54 0.00 4.34 -0.04 -1.26 -3.11 135.00 140.45 3da1 n PRO 544 Ca -0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 3da1 n PRO 544 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3da1 n PRO 544 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3da1 n LEU 545 N -1.23 1.65 -4.60 1.53 7.99 -1.26 -4.77 117.00 116.30 3da1 n LEU 545 Ca 0.16 -0.72 -0.43 0.00 -0.01 0.00 0.00 56.01 55.01 3da1 n LEU 545 Cb 0.21 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.49 3da1 n LEU 545 CO 0.22 0.32 1.85 0.12 -1.51 0.00 0.00 177.39 178.39 3da1 s PHE 546 N -2.20 1.16 -0.14 -1.77 5.36 -1.18 -4.93 117.98 114.27 3da1 s PHE 546 Ca 0.14 0.54 -0.21 0.00 -0.96 0.00 0.00 56.93 56.44 3da1 s PHE 546 Cb 0.15 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.87 3da1 s PHE 546 CO 0.51 -4.10 0.62 -0.65 -1.46 0.00 0.00 175.22 170.14 3da1 s GLN 547 N 6.36 4.31 0.80 10.12 -1.52 -1.26 -5.07 119.66 133.41 3da1 s GLN 547 Ca 1.01 0.67 -0.13 0.00 -1.95 0.00 0.00 55.36 54.95 3da1 s GLN 547 Cb -0.33 -3.51 0.20 0.00 -0.22 0.00 0.00 33.01 29.15 3da1 s GLN 547 CO 0.35 -0.06 0.77 0.28 -0.25 0.00 0.00 175.29 176.38 3da1 n VAL 548 N 4.18 0.00 -0.62 1.09 0.31 -1.26 -5.23 118.33 116.80 3da1 n VAL 548 Ca -0.02 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3da1 n VAL 548 Cb 0.51 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3da1 n VAL 548 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72