#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdj s LEU 2 N 0.00 4.43 -0.04 0.00 1.43 -1.26 -5.13 118.68 118.11 3hdj s LEU 2 Ca 0.00 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 3hdj s LEU 2 Cb 0.00 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 3hdj s LEU 2 CO 0.00 0.35 -0.18 -2.28 0.23 0.00 0.00 176.35 174.47 3hdj s HIS 3 N -1.00 1.79 -0.21 0.29 5.65 -1.26 -0.78 115.29 119.78 3hdj s HIS 3 Ca 0.20 -0.49 -0.04 0.00 0.25 0.00 0.00 55.06 54.99 3hdj s HIS 3 Cb -0.15 -1.19 -0.01 0.00 -1.18 0.00 0.00 32.58 30.05 3hdj s HIS 3 CO 0.09 -0.15 -0.05 0.42 -0.65 0.00 0.00 174.74 174.41 3hdj s ILE 4 N -0.07 3.40 0.56 0.89 1.01 -0.17 -4.98 121.20 121.84 3hdj s ILE 4 Ca -0.02 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.21 3hdj s ILE 4 Cb -0.11 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 39.90 3hdj s ILE 4 CO 0.02 0.44 0.78 1.51 0.00 0.00 0.00 174.94 177.68 3hdj s ASP 5 N 1.30 5.11 0.22 3.58 1.47 -1.26 -0.24 116.67 126.84 3hdj s ASP 5 Ca 0.04 -0.57 -0.08 0.00 1.18 0.00 0.00 52.55 53.11 3hdj s ASP 5 Cb -0.14 -0.10 0.19 0.00 -0.34 0.00 0.00 42.92 42.53 3hdj s ASP 5 CO -0.02 -1.29 1.85 0.44 0.68 0.00 0.00 175.17 176.83 3hdj h ASP 6 N 0.14 1.07 0.00 2.11 3.32 -1.98 -2.18 116.42 118.90 3hdj h ASP 6 Ca -0.35 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3hdj h ASP 6 Cb 1.28 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3hdj h ASP 6 CO 0.43 0.86 0.00 0.00 -1.72 0.00 0.00 179.24 178.81 3hdj n ALA 7 N -2.39 1.66 0.00 3.45 0.00 -1.26 -1.17 120.51 120.81 3hdj n ALA 7 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hdj n ALA 7 Cb 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3hdj n ALA 7 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hdj n ILE 9 N 0.93 0.00 -0.31 0.00 2.08 -0.82 -2.26 119.36 118.97 3hdj n ILE 9 Ca 0.00 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.39 3hdj n ILE 9 Cb 0.08 0.00 0.24 0.00 -0.75 0.00 0.00 39.64 39.21 3hdj n ILE 9 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3hdj h GLU 10 N 0.00 0.66 0.00 0.38 4.57 -1.43 -1.43 114.58 117.33 3hdj h GLU 10 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3hdj h GLU 10 Cb 0.00 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3hdj h GLU 10 CO 0.00 0.44 -0.57 -0.44 -1.18 0.00 0.00 179.01 177.26 3hdj h ASP 11 N 0.68 0.00 0.00 1.04 3.32 -1.73 -3.38 116.42 116.36 3hdj h ASP 11 Ca 0.49 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 3hdj h ASP 11 Cb 0.68 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3hdj h ASP 11 CO -0.36 0.00 -1.99 0.00 -1.72 0.00 0.00 179.24 175.18 3hdj n ALA 12 N -2.13 2.79 -4.00 3.45 0.00 -0.91 -4.87 120.51 114.84 3hdj n ALA 12 Ca 0.02 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 3hdj n ALA 12 Cb 0.54 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 3hdj n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hdj s VAL 13 N -3.49 1.89 0.54 0.00 1.01 -0.59 -4.97 120.40 114.80 3hdj s VAL 13 Ca -0.08 -1.58 -0.08 0.00 0.00 0.00 0.00 61.98 60.24 3hdj s VAL 13 Cb 0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3hdj s VAL 13 CO 0.89 -0.18 0.89 0.42 0.00 0.00 0.00 175.10 177.13 3hdj s THR 14 N 1.20 4.76 0.22 3.92 -4.23 -1.26 -4.84 115.64 115.42 3hdj s THR 14 Ca -0.04 0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 60.87 3hdj s THR 14 Cb -0.19 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 69.97 3hdj s THR 14 CO -0.07 -0.95 1.80 -0.65 -0.54 0.00 0.00 174.62 174.21 3hdj h PRO 15 N -0.02 0.68 -0.53 3.99 0.11 -1.98 -1.22 132.00 133.02 3hdj h PRO 15 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3hdj h PRO 15 Cb 1.20 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hdj h PRO 15 CO 0.62 0.45 0.13 1.96 -0.21 0.00 0.00 178.00 180.95 3hdj h GLN 16 N 0.70 0.84 -0.55 1.05 7.50 -1.99 0.19 115.11 122.85 3hdj h GLN 16 Ca 0.34 -0.20 -0.11 0.00 0.50 0.00 0.00 58.65 59.18 3hdj h GLN 16 Cb 0.27 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 3hdj h GLN 16 CO -0.22 0.80 -0.08 0.00 -1.50 0.00 0.00 178.83 177.83 3hdj h ALA 17 N 1.01 0.82 -0.34 3.87 0.00 -1.90 -1.40 119.26 121.32 3hdj h ALA 17 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hdj h ALA 17 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hdj h ALA 17 CO 0.00 0.66 0.17 0.00 0.00 0.00 0.00 179.25 180.09 3hdj h ALA 18 N 0.99 0.43 -0.74 0.00 0.00 -0.69 -0.63 119.26 118.62 3hdj h ALA 18 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hdj h ALA 18 Cb 0.63 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3hdj h ALA 18 CO 0.04 -0.02 0.47 1.96 0.00 0.00 0.00 179.25 181.70 3hdj h GLN 19 N 0.41 0.89 -0.68 0.00 4.20 -0.35 -0.29 115.11 119.30 3hdj h GLN 19 Ca 0.12 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3hdj h GLN 19 Cb 0.09 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3hdj h GLN 19 CO -0.02 0.59 0.24 0.93 -0.67 0.00 0.00 178.83 179.90 3hdj h GLU 20 N 0.92 1.03 -0.28 1.46 4.39 -0.62 -0.04 114.58 121.44 3hdj h GLU 20 Ca 0.30 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 3hdj h GLU 20 Cb 0.01 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3hdj h GLU 20 CO -0.11 0.88 -0.12 0.28 -1.16 0.00 0.00 179.01 178.78 3hdj h VAL 21 N 0.97 1.29 -0.46 3.13 2.07 -0.88 -1.80 116.25 120.58 3hdj h VAL 21 Ca 0.22 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 3hdj h VAL 21 Cb 0.26 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3hdj h VAL 21 CO -0.01 0.38 -0.17 -0.07 0.02 0.00 0.00 177.57 177.72 3hdj h LEU 22 N 0.32 0.90 -0.34 2.57 3.38 -0.92 -1.19 115.31 120.02 3hdj h LEU 22 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3hdj h LEU 22 Cb 0.62 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hdj h LEU 22 CO 0.04 1.06 0.18 -0.74 0.09 0.00 0.00 178.44 179.06 3hdj h HIS 23 N 0.79 0.48 -0.55 1.13 2.76 -0.88 -0.99 115.15 117.89 3hdj h HIS 23 Ca 0.12 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 3hdj h HIS 23 Cb 0.71 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 3hdj h HIS 23 CO 0.04 0.40 0.17 0.00 -1.30 0.00 0.00 177.93 177.23 3hdj h ALA 24 N 1.04 1.26 -0.46 5.26 0.00 -1.10 -1.65 119.26 123.62 3hdj h ALA 24 Ca 0.12 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3hdj h ALA 24 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hdj h ALA 24 CO -0.02 0.52 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 3hdj h ALA 25 N 1.38 0.63 -0.68 0.00 0.00 -0.74 -2.11 119.26 117.74 3hdj h ALA 25 Ca 0.18 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3hdj h ALA 25 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hdj h ALA 25 CO -0.01 0.54 0.15 0.74 0.00 0.00 0.00 179.25 180.67 3hdj h PHE 26 N 0.73 1.15 -0.73 0.00 0.04 -0.88 -0.80 116.94 116.44 3hdj h PHE 26 Ca 0.11 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3hdj h PHE 26 Cb 0.67 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3hdj h PHE 26 CO 0.05 0.94 0.47 -0.07 -0.60 0.00 0.00 178.31 179.10 3hdj h LEU 27 N 1.03 0.80 -0.36 1.54 3.38 -1.09 0.19 115.31 120.81 3hdj h LEU 27 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hdj h LEU 27 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hdj h LEU 27 CO 0.00 0.57 0.23 0.44 0.09 0.00 0.00 178.44 179.77 3hdj h ASP 28 N 0.95 0.42 -0.50 -0.43 5.19 -0.95 -1.19 116.42 119.90 3hdj h ASP 28 Ca 0.28 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3hdj h ASP 28 Cb -0.04 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 3hdj h ASP 28 CO -0.09 0.32 0.32 0.15 -3.12 0.00 0.00 179.24 176.83 3hdj h PHE 29 N 0.48 0.65 -0.26 4.55 3.57 -0.77 -1.79 116.94 123.36 3hdj h PHE 29 Ca 0.13 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 3hdj h PHE 29 Cb -0.03 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 3hdj h PHE 29 CO -0.05 0.43 0.19 0.78 -2.23 0.00 0.00 178.31 177.43 3hdj h GLY 30 N 0.68 0.05 0.04 2.40 0.00 -0.14 -1.41 103.07 104.70 3hdj h GLY 30 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3hdj h GLY 30 CO -0.04 0.01 -0.13 0.54 0.00 0.00 0.00 176.54 176.92 3hdj n ARG 31 N -4.47 1.16 -0.90 4.80 1.74 -0.49 -4.95 116.66 113.54 3hdj n ARG 31 Ca 0.03 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 56.47 3hdj n ARG 31 Cb 0.31 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3hdj n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hdj n GLY 32 N 1.26 0.51 0.95 -0.13 0.00 -0.53 -4.94 105.19 102.31 3hdj n GLY 32 Ca 0.15 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hdj n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hdj n SER 33 N 0.60 2.98 -4.22 1.61 3.41 -0.72 -4.89 113.62 112.40 3hdj n SER 33 Ca 0.00 -1.98 -0.16 0.00 -0.26 0.00 0.00 58.87 56.48 3hdj n SER 33 Cb 0.00 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 3hdj n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hdj s ALA 34 N -1.93 1.34 0.00 7.33 0.00 -1.21 -4.32 121.76 122.97 3hdj s ALA 34 Ca 0.28 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3hdj s ALA 34 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3hdj s ALA 34 CO 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 175.76 176.05 3hdj n ALA 35 N 0.34 0.00 -3.67 0.00 0.00 -0.74 -4.63 120.51 111.81 3hdj n ALA 35 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 3hdj n ALA 35 Cb 0.58 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.87 3hdj n ALA 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3hdj s GLN 37 N -0.94 1.76 0.74 0.00 0.74 -0.18 -1.12 119.66 120.66 3hdj s GLN 37 Ca 0.00 -0.39 -0.15 0.00 0.05 0.00 0.00 55.36 54.86 3hdj s GLN 37 Cb 0.00 -1.58 0.02 0.00 1.10 0.00 0.00 33.01 32.54 3hdj s GLN 37 CO 0.00 -0.10 0.98 2.89 -0.55 0.00 0.00 175.29 178.51 3hdj n ARG 38 N 4.30 0.43 -1.94 1.67 1.85 -1.26 -3.09 116.66 118.62 3hdj n ARG 38 Ca -0.19 0.21 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 3hdj n ARG 38 Cb 0.51 -2.24 -0.03 0.00 -1.05 0.00 0.00 32.46 29.66 3hdj n ARG 38 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3hdj s ARG 39 N -3.45 4.22 -0.06 2.89 3.52 -1.26 -4.51 118.95 120.31 3hdj s ARG 39 Ca 0.73 2.36 0.06 0.00 -0.13 0.00 0.00 55.73 58.75 3hdj s ARG 39 Cb -0.33 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 3hdj s ARG 39 CO 0.51 -0.55 -0.23 0.08 -0.81 0.00 0.00 175.30 174.30 3hdj s VAL 40 N 0.66 1.93 -0.09 7.11 1.01 0.52 -4.97 120.40 126.58 3hdj s VAL 40 Ca 0.66 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3hdj s VAL 40 Cb -0.44 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3hdj s VAL 40 CO 0.37 0.54 -0.17 -0.13 0.00 0.00 0.00 175.10 175.70 3hdj s ARG 41 N -0.07 2.89 -0.04 2.72 0.52 -1.26 -1.20 118.95 122.50 3hdj s ARG 41 Ca -0.05 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3hdj s ARG 41 Cb -0.14 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.93 3hdj s ARG 41 CO 0.04 0.37 -0.12 0.99 0.02 0.00 0.00 175.30 176.60 3hdj s THR 42 N -0.10 1.09 -0.00 0.02 2.01 0.27 -4.99 115.64 113.93 3hdj s THR 42 Ca -0.03 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 3hdj s THR 42 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.41 3hdj s THR 42 CO 0.04 0.33 0.01 -0.70 -0.69 0.00 0.00 174.62 173.61 3hdj s GLU 43 N 0.28 -0.01 -0.11 4.92 2.12 -1.26 -0.09 118.70 124.56 3hdj s GLU 43 Ca -0.07 0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.15 3hdj s GLU 43 Cb -0.12 -0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.26 3hdj s GLU 43 CO 0.02 -0.03 0.41 0.00 -0.54 0.00 0.00 175.26 175.12 3hdj s ALA 44 N 0.21 -1.03 -1.43 6.30 0.00 -0.56 -4.96 121.76 120.29 3hdj s ALA 44 Ca -0.02 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 3hdj s ALA 44 Cb -0.03 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.73 3hdj s ALA 44 CO -0.01 -0.23 0.68 0.41 0.00 0.00 0.00 175.76 176.62 3hdj n GLY 45 N 2.28 -0.49 2.52 0.00 0.00 -1.26 -0.87 105.19 107.37 3hdj n GLY 45 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hdj n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdj n GLY 46 N -1.41 0.63 3.45 -0.02 0.00 -1.26 -5.01 105.19 101.57 3hdj n GLY 46 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hdj n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hdj s VAL 47 N -2.64 3.97 -0.03 1.61 1.01 -0.05 -4.44 120.40 119.83 3hdj s VAL 47 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3hdj s VAL 47 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3hdj s VAL 47 CO 0.00 0.43 0.03 -0.75 0.00 0.00 0.00 175.10 174.81 3hdj s LYS 48 N 1.02 2.94 -0.10 2.72 2.20 -0.25 -1.50 119.74 126.77 3hdj s LYS 48 Ca 0.02 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 3hdj s LYS 48 Cb -0.14 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 3hdj s LYS 48 CO 0.02 0.66 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.27 3hdj s LEU 49 N -1.42 2.03 0.07 5.43 2.96 0.87 -0.97 118.68 127.66 3hdj s LEU 49 Ca 0.19 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 3hdj s LEU 49 Cb -0.12 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3hdj s LEU 49 CO 0.09 0.13 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.57 3hdj s SER 50 N 0.48 2.83 0.06 3.68 0.01 0.00 -0.57 113.70 120.20 3hdj s SER 50 Ca -0.16 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.53 3hdj s SER 50 Cb -0.17 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 3hdj s SER 50 CO 0.06 0.18 -0.10 0.42 0.41 0.00 0.00 173.24 174.21 3hdj s THR 51 N -0.90 0.77 0.16 1.44 -4.23 -0.34 -1.35 115.64 111.19 3hdj s THR 51 Ca 0.10 -1.23 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 3hdj s THR 51 Cb -0.10 -0.86 0.06 0.00 1.34 0.00 0.00 72.50 72.95 3hdj s THR 51 CO 0.03 -0.36 0.66 -1.48 -0.54 0.00 0.00 174.62 172.93 3hdj s LEU 52 N -1.75 -0.48 0.00 4.79 2.34 -0.91 -0.35 118.68 122.31 3hdj s LEU 52 Ca -0.05 -0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.02 3hdj s LEU 52 Cb -0.09 2.55 0.00 0.00 -0.56 0.00 0.00 46.19 48.09 3hdj s LEU 52 CO 0.01 -1.00 0.00 0.61 -1.06 0.00 0.00 176.35 174.91 3hdj n GLY 53 N -0.38 0.73 3.58 -3.48 0.00 -1.18 -0.29 105.19 104.16 3hdj n GLY 53 Ca -0.14 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 3hdj n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdj s ALA 54 N -1.00 -1.87 -0.14 4.61 0.00 -0.43 -1.01 121.76 121.91 3hdj s ALA 54 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.91 3hdj s ALA 54 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3hdj s ALA 54 CO 0.00 -0.76 -0.16 0.08 0.00 0.00 0.00 175.76 174.92 3hdj s VAL 55 N -2.96 1.66 -0.53 0.00 1.01 -0.28 -1.46 120.40 117.86 3hdj s VAL 55 Ca 0.08 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hdj s VAL 55 Cb -0.01 -1.53 0.20 0.00 0.00 0.00 0.00 36.38 35.05 3hdj s VAL 55 CO -0.06 0.47 0.50 -0.38 0.00 0.00 0.00 175.10 175.64 3hdj n ILE 56 N 4.53 0.34 -0.18 2.22 5.41 0.32 -1.79 119.36 130.22 3hdj n ILE 56 Ca -0.18 -4.29 0.17 0.00 1.00 0.00 0.00 62.75 59.44 3hdj n ILE 56 Cb 0.50 -1.95 0.52 0.00 -0.71 0.00 0.00 39.64 38.00 3hdj n ILE 56 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3hdj h PRO 57 N 4.89 0.38 0.00 0.38 0.11 -1.75 -0.78 132.00 135.23 3hdj h PRO 57 Ca 0.18 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3hdj h PRO 57 Cb 0.81 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3hdj h PRO 57 CO 0.57 0.25 -0.10 0.78 -0.21 0.00 0.00 178.00 179.29 3hdj h GLY 58 N 0.39 0.00 -1.35 -0.55 0.00 -1.92 -1.33 103.07 98.32 3hdj h GLY 58 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3hdj h GLY 58 CO -0.13 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.35 3hdj n GLN 59 N -3.41 2.61 -1.08 4.80 6.02 -0.36 -5.00 117.38 120.96 3hdj n GLN 59 Ca -0.01 -2.00 -0.03 0.00 -0.01 0.00 0.00 57.00 54.95 3hdj n GLN 59 Cb 0.27 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 3hdj n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hdj n GLY 60 N 0.62 0.56 3.17 1.08 0.00 -0.50 -4.99 105.19 105.14 3hdj n GLY 60 Ca 0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3hdj n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hdj s VAL 61 N -1.91 0.62 0.07 1.61 -7.23 -1.05 -0.59 120.40 111.92 3hdj s VAL 61 Ca 0.00 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 3hdj s VAL 61 Cb 0.00 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 3hdj s VAL 61 CO 0.00 -0.82 0.10 0.00 -0.31 0.00 0.00 175.10 174.07 3hdj s ALA 62 N -3.67 0.07 0.00 1.32 0.00 -0.54 -0.53 121.76 118.42 3hdj s ALA 62 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3hdj s ALA 62 Cb 0.06 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3hdj s ALA 62 CO -0.04 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3hdj n GLY 63 N 0.10 -1.47 2.98 0.00 0.00 -0.53 0.09 105.19 106.37 3hdj n GLY 63 Ca -0.15 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3hdj n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdj s ALA 64 N -1.63 -0.14 -0.15 4.61 0.00 -0.79 -1.31 121.76 122.35 3hdj s ALA 64 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 3hdj s ALA 64 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 3hdj s ALA 64 CO 0.00 -0.10 0.27 0.21 0.00 0.00 0.00 175.76 176.14 3hdj s LYS 65 N -0.57 4.14 -0.04 0.00 2.20 0.60 -0.49 119.74 125.57 3hdj s LYS 65 Ca -0.06 0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.65 3hdj s LYS 65 Cb -0.04 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3hdj s LYS 65 CO 0.00 0.34 -0.18 0.08 -0.36 0.00 0.00 175.35 175.23 3hdj s VAL 66 N 0.17 1.51 -0.03 4.02 1.01 0.00 -2.14 120.40 124.95 3hdj s VAL 66 Ca 0.16 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 3hdj s VAL 66 Cb -0.13 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3hdj s VAL 66 CO 0.04 0.43 0.36 -0.72 0.00 0.00 0.00 175.10 175.21 3hdj s TYR 67 N 0.01 -0.25 0.23 5.22 -0.85 -0.46 -1.31 117.35 119.94 3hdj s TYR 67 Ca -0.04 0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.88 3hdj s TYR 67 Cb -0.12 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.31 3hdj s TYR 67 CO 0.02 -0.40 0.47 0.95 -1.52 0.00 0.00 175.55 175.07 3hdj s THR 68 N -1.22 5.10 -0.09 -3.49 -4.23 -0.93 -0.82 115.64 109.96 3hdj s THR 68 Ca -0.13 -0.04 -0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3hdj s THR 68 Cb -0.04 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.12 3hdj s THR 68 CO 0.05 -0.18 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.99 3hdj s THR 69 N -1.91 0.90 -0.09 3.99 2.01 -0.14 -2.09 115.64 118.31 3hdj s THR 69 Ca 0.42 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 3hdj s THR 69 Cb -0.11 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.50 3hdj s THR 69 CO 0.28 0.34 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.87 3hdj s ILE 70 N 1.51 0.71 -1.29 1.82 1.01 -0.47 -1.08 121.20 123.41 3hdj s ILE 70 Ca 0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 3hdj s ILE 70 Cb -0.13 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.57 3hdj s ILE 70 CO -0.05 0.31 0.54 0.29 0.00 0.00 0.00 174.94 176.03 3hdj n LYS 71 N 4.95 -1.16 -0.38 2.79 4.76 -1.26 -1.25 118.16 126.60 3hdj n LYS 71 Ca -0.11 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3hdj n LYS 71 Cb 0.50 -3.47 0.00 0.00 -1.84 0.00 0.00 35.03 30.22 3hdj n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hdj n GLY 72 N -2.07 1.02 3.76 0.72 0.00 -1.26 -4.97 105.19 102.39 3hdj n GLY 72 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3hdj n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hdj s GLN 73 N -0.25 4.21 0.06 1.61 -1.52 -0.38 -5.08 119.66 118.32 3hdj s GLN 73 Ca 0.00 0.39 0.06 0.00 -1.95 0.00 0.00 55.36 53.86 3hdj s GLN 73 Cb 0.00 -3.37 -0.04 0.00 -0.22 0.00 0.00 33.01 29.38 3hdj s GLN 73 CO 0.00 0.33 -0.09 -0.06 -0.25 0.00 0.00 175.29 175.22 3hdj s PHE 74 N 0.10 2.79 -0.18 0.91 0.08 -1.26 -1.37 117.98 119.05 3hdj s PHE 74 Ca 0.24 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 3hdj s PHE 74 Cb -0.15 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 3hdj s PHE 74 CO 0.10 0.39 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.93 3hdj s GLN 75 N -1.87 1.27 -0.09 0.44 -1.52 -0.89 -4.99 119.66 112.02 3hdj s GLN 75 Ca 0.20 -0.54 -0.00 0.00 -1.95 0.00 0.00 55.36 53.06 3hdj s GLN 75 Cb -0.11 -2.07 -0.03 0.00 -0.22 0.00 0.00 33.01 30.58 3hdj s GLN 75 CO 0.11 -0.49 -0.05 -0.06 -0.25 0.00 0.00 175.29 174.54 3hdj s PHE 76 N 1.66 2.99 -0.02 0.91 0.08 -1.26 -2.18 117.98 120.15 3hdj s PHE 76 Ca -0.00 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.05 3hdj s PHE 76 Cb -0.16 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3hdj s PHE 76 CO -0.07 0.29 -0.04 0.08 -0.10 0.00 0.00 175.22 175.38 3hdj s VAL 77 N -0.63 0.39 -0.13 -0.44 1.01 -0.43 -1.47 120.40 118.70 3hdj s VAL 77 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3hdj s VAL 77 Cb -0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hdj s VAL 77 CO 0.02 0.15 0.03 -0.63 0.00 0.00 0.00 175.10 174.67 3hdj s ILE 78 N 0.44 4.54 -0.29 2.22 1.01 0.70 -0.82 121.20 128.99 3hdj s ILE 78 Ca -0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 3hdj s ILE 78 Cb -0.08 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3hdj s ILE 78 CO -0.00 0.55 0.15 -0.76 0.00 0.00 0.00 174.94 174.87 3hdj s LEU 79 N -0.38 3.97 -0.15 2.97 1.43 0.36 -1.04 118.68 125.84 3hdj s LEU 79 Ca 0.08 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3hdj s LEU 79 Cb -0.12 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3hdj s LEU 79 CO 0.02 -0.13 0.00 -0.22 0.23 0.00 0.00 176.35 176.25 3hdj s LEU 80 N 1.65 3.51 0.23 1.79 2.96 -0.70 -1.89 118.68 126.23 3hdj s LEU 80 Ca 0.06 0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 3hdj s LEU 80 Cb -0.16 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3hdj s LEU 80 CO 0.07 0.23 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.79 3hdj s PHE 81 N 0.04 1.98 -0.01 5.38 0.08 0.11 0.45 117.98 126.02 3hdj s PHE 81 Ca 0.02 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 3hdj s PHE 81 Cb -0.13 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 3hdj s PHE 81 CO 0.02 0.51 1.01 0.45 -0.10 0.00 0.00 175.22 177.11 3hdj s SER 82 N -3.30 7.32 0.28 1.36 0.15 0.09 -1.46 113.70 118.14 3hdj s SER 82 Ca 0.25 1.67 0.26 0.00 0.70 0.00 0.00 55.95 58.83 3hdj s SER 82 Cb -0.03 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.60 3hdj s SER 82 CO 0.10 -0.31 1.76 0.00 1.20 0.00 0.00 173.24 175.99 3hdj h ALA 83 N 6.85 1.00 -0.07 5.45 0.00 -1.10 0.14 119.26 131.53 3hdj h ALA 83 Ca -0.40 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3hdj h ALA 83 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hdj h ALA 83 CO 0.77 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 179.52 3hdj h ALA 84 N 2.33 0.16 0.00 0.00 0.00 -1.91 -3.40 119.26 116.44 3hdj h ALA 84 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hdj h ALA 84 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hdj h ALA 84 CO 0.00 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 3hdj n ASP 85 N -4.26 0.38 0.00 0.00 5.68 -1.25 -5.03 116.55 112.08 3hdj n ASP 85 Ca -0.09 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 3hdj n ASP 85 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 3hdj n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hdj n GLY 86 N -0.03 1.44 3.81 6.12 0.00 0.47 -5.01 105.19 111.99 3hdj n GLY 86 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hdj n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hdj s ARG 87 N -0.23 3.98 0.22 1.61 1.70 -1.25 -4.53 118.95 120.45 3hdj s ARG 87 Ca 0.00 1.27 -0.30 0.00 -0.47 0.00 0.00 55.73 56.23 3hdj s ARG 87 Cb 0.00 -2.14 -0.09 0.00 -0.57 0.00 0.00 34.95 32.15 3hdj s ARG 87 CO 0.00 -0.27 1.36 -2.14 -1.08 0.00 0.00 175.30 173.18 3hdj s PRO 88 N -3.19 4.34 -0.21 3.89 0.02 -1.26 -0.73 135.00 137.85 3hdj s PRO 88 Ca 0.65 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.79 3hdj s PRO 88 Cb -0.14 -3.15 -0.12 0.00 0.02 0.00 0.00 34.50 31.11 3hdj s PRO 88 CO 0.17 -0.32 -0.23 1.28 -0.33 0.00 0.00 177.00 177.58 3hdj n LEU 89 N 2.44 2.35 -3.52 -5.54 4.77 0.17 -4.86 117.00 112.81 3hdj n LEU 89 Ca 0.06 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 3hdj n LEU 89 Cb 0.42 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 3hdj n LEU 89 CO 0.59 0.68 0.59 0.00 -1.33 0.00 0.00 177.39 177.92 3hdj s ALA 90 N -2.41 -1.80 0.12 -1.18 0.00 -1.10 -4.24 121.76 111.15 3hdj s ALA 90 Ca -0.29 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 3hdj s ALA 90 Cb 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 3hdj s ALA 90 CO 0.44 -0.50 0.34 0.95 0.00 0.00 0.00 175.76 176.98 3hdj s THR 91 N -2.07 5.22 -0.12 0.00 -4.23 0.04 -1.72 115.64 112.76 3hdj s THR 91 Ca -0.02 -0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 3hdj s THR 91 Cb -0.01 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.26 3hdj s THR 91 CO -0.01 0.06 0.08 0.00 -0.54 0.00 0.00 174.62 174.21 3hdj n ASP 93 N 5.29 2.83 -0.20 0.00 8.00 0.66 -0.22 116.55 132.91 3hdj n ASP 93 Ca -0.05 1.17 0.04 0.00 0.71 0.00 0.00 54.79 56.66 3hdj n ASP 93 Cb 0.49 -1.51 0.06 0.00 -0.02 0.00 0.00 41.12 40.14 3hdj n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hdj n ALA 94 N 0.15 2.01 0.46 2.24 0.00 -0.54 -4.64 120.51 120.17 3hdj n ALA 94 Ca 0.05 -1.64 -0.18 0.00 0.00 0.00 0.00 53.44 51.66 3hdj n ALA 94 Cb 0.38 -0.33 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 3hdj n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hdj h GLY 95 N 0.00 -1.22 1.03 0.00 0.00 -1.91 0.09 103.07 101.05 3hdj h GLY 95 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 3hdj h GLY 95 CO 0.00 -0.44 0.35 -0.84 0.00 0.00 0.00 176.54 175.61 3hdj h THR 96 N -1.22 1.25 -0.54 4.70 2.02 -1.89 -2.27 112.91 114.97 3hdj h THR 96 Ca -0.12 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.38 3hdj h THR 96 Cb 0.90 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3hdj h THR 96 CO 0.20 0.30 0.28 0.25 0.37 0.00 0.00 175.52 176.91 3hdj h LEU 97 N 1.09 0.39 -0.36 2.58 5.85 -1.82 -0.68 115.31 122.37 3hdj h LEU 97 Ca 0.26 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3hdj h LEU 97 Cb 0.15 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3hdj h LEU 97 CO -0.03 0.27 0.17 0.74 -0.34 0.00 0.00 178.44 179.24 3hdj h THR 98 N 0.53 1.17 -0.07 1.05 2.02 -0.71 0.55 112.91 117.45 3hdj h THR 98 Ca 0.24 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.95 3hdj h THR 98 Cb 0.15 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 3hdj h THR 98 CO -0.17 0.18 -0.14 -0.09 0.37 0.00 0.00 175.52 175.68 3hdj h ARG 99 N 0.44 -0.19 -0.55 6.66 2.43 -1.06 -1.66 114.38 120.45 3hdj h ARG 99 Ca 0.12 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3hdj h ARG 99 Cb 0.14 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3hdj h ARG 99 CO -0.01 -0.13 0.18 0.87 -1.51 0.00 0.00 179.97 179.37 3hdj h LYS 100 N -0.19 0.85 -0.11 0.20 1.57 -0.83 -3.03 116.57 115.03 3hdj h LYS 100 Ca 0.07 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3hdj h LYS 100 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hdj h LYS 100 CO -0.19 0.77 -0.58 0.07 -0.57 0.00 0.00 179.45 178.95 3hdj h ARG 101 N 0.77 0.36 -0.11 3.15 -0.00 -0.64 -0.53 114.38 117.37 3hdj h ARG 101 Ca 0.18 -0.24 -0.02 0.00 -0.00 0.00 0.00 59.98 59.90 3hdj h ARG 101 Cb 0.26 0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 3hdj h ARG 101 CO -0.01 0.84 -0.01 1.15 -0.00 0.00 0.00 179.97 181.94 3hdj h THR 102 N 0.27 1.27 -0.68 0.08 2.02 -1.25 -0.85 112.91 113.77 3hdj h THR 102 Ca -0.00 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 3hdj h THR 102 Cb 1.10 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 3hdj h THR 102 CO 0.10 0.25 0.27 0.00 0.37 0.00 0.00 175.52 176.50 3hdj h ALA 103 N 0.72 0.88 -0.75 6.16 0.00 -1.52 -1.85 119.26 122.89 3hdj h ALA 103 Ca 0.03 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hdj h ALA 103 Cb 0.38 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3hdj h ALA 103 CO 0.01 0.50 0.46 0.00 0.00 0.00 0.00 179.25 180.22 3hdj h ALA 104 N 1.12 1.01 -0.46 0.00 0.00 -0.88 -0.00 119.26 120.05 3hdj h ALA 104 Ca 0.22 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3hdj h ALA 104 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hdj h ALA 104 CO -0.02 0.20 -0.21 0.00 0.00 0.00 0.00 179.25 179.22 3hdj h THR 106 N 0.81 1.24 -0.71 0.00 2.02 -0.87 -1.38 112.91 114.02 3hdj h THR 106 Ca 0.11 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 3hdj h THR 106 Cb 0.77 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3hdj h THR 106 CO 0.06 0.32 0.15 0.58 0.37 0.00 0.00 175.52 177.01 3hdj h VAL 107 N 0.90 1.26 -0.41 3.16 2.07 -0.63 0.17 116.25 122.77 3hdj h VAL 107 Ca 0.20 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hdj h VAL 107 Cb 0.29 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3hdj h VAL 107 CO -0.00 0.38 0.23 -0.07 0.02 0.00 0.00 177.57 178.13 3hdj h LEU 108 N 1.08 0.37 -0.21 2.57 3.38 -0.74 0.67 115.31 122.43 3hdj h LEU 108 Ca 0.22 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3hdj h LEU 108 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hdj h LEU 108 CO 0.01 0.27 0.06 0.00 0.09 0.00 0.00 178.44 178.87 3hdj h ALA 109 N 1.19 0.27 -0.50 1.53 0.00 -0.86 -2.20 119.26 118.69 3hdj h ALA 109 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hdj h ALA 109 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hdj h ALA 109 CO -0.08 -0.10 0.32 0.00 0.00 0.00 0.00 179.25 179.38 3hdj h ALA 110 N 0.89 0.64 -0.91 0.00 0.00 -0.57 -0.78 119.26 118.53 3hdj h ALA 110 Ca 0.07 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3hdj h ALA 110 Cb 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3hdj h ALA 110 CO -0.00 0.10 0.51 0.78 0.00 0.00 0.00 179.25 180.63 3hdj h GLY 111 N 0.68 1.51 2.00 0.00 0.00 -0.78 0.30 103.07 106.77 3hdj h GLY 111 Ca 0.18 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3hdj h GLY 111 CO -0.04 -0.00 -0.66 0.00 0.00 0.00 0.00 176.54 175.84 3hdj h ALA 112 N 1.57 0.64 0.00 3.60 0.00 -0.72 -3.42 119.26 120.93 3hdj h ALA 112 Ca 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hdj h ALA 112 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hdj h ALA 112 CO -0.34 0.82 -0.59 1.28 0.00 0.00 0.00 179.25 180.42 3hdj n LEU 113 N -3.35 0.00 -4.89 0.00 4.77 -0.37 -4.98 117.00 108.18 3hdj n LEU 113 Ca 0.01 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 3hdj n LEU 113 Cb 0.76 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.86 3hdj n LEU 113 CO 0.42 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.06 3hdj s ALA 114 N -1.26 3.25 0.19 -1.18 0.00 0.97 -4.82 121.76 118.92 3hdj s ALA 114 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 3hdj s ALA 114 Cb 0.00 -2.82 -0.12 0.00 0.00 0.00 0.00 23.12 20.17 3hdj s ALA 114 CO 0.00 -0.55 1.69 -2.13 0.00 0.00 0.00 175.76 174.77 3hdj n ARG 115 N -2.52 2.62 -0.28 0.00 0.63 -1.26 -4.88 116.66 110.97 3hdj n ARG 115 Ca 0.03 0.94 0.06 0.00 -0.92 0.00 0.00 57.85 57.96 3hdj n ARG 115 Cb 0.55 -2.77 0.27 0.00 0.45 0.00 0.00 32.46 30.96 3hdj n ARG 115 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3hdj h PRO 116 N 6.62 0.92 -0.86 -0.14 0.11 -1.93 -1.17 132.00 135.55 3hdj h PRO 116 Ca -0.44 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3hdj h PRO 116 Cb 1.22 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3hdj h PRO 116 CO 0.94 0.61 0.07 0.54 -0.21 0.00 0.00 178.00 179.94 3hdj n ARG 117 N -4.51 2.46 -1.58 1.05 1.74 -1.26 -4.78 116.66 109.79 3hdj n ARG 117 Ca 0.14 -1.38 -0.52 0.00 -0.77 0.00 0.00 57.85 55.32 3hdj n ARG 117 Cb 0.25 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 3hdj n ARG 117 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hdj n SER 118 N 0.16 1.38 0.00 0.55 7.64 -0.45 -4.89 113.62 118.02 3hdj n SER 118 Ca 0.16 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.16 3hdj n SER 118 Cb 0.75 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3hdj n SER 118 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hdj n SER 119 N 2.31 0.40 -4.13 6.43 3.41 -1.26 -4.04 113.62 116.74 3hdj n SER 119 Ca 0.18 -0.20 -0.33 0.00 -0.26 0.00 0.00 58.87 58.26 3hdj n SER 119 Cb 0.19 0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 64.47 3hdj n SER 119 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hdj s VAL 120 N -0.56 2.28 -0.20 -3.33 1.01 -1.26 -0.04 120.40 118.30 3hdj s VAL 120 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 3hdj s VAL 120 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3hdj s VAL 120 CO 0.00 0.38 0.09 -0.22 0.00 0.00 0.00 175.10 175.35 3hdj s LEU 121 N 1.27 3.88 -0.19 3.92 2.96 -0.54 -0.84 118.68 129.15 3hdj s LEU 121 Ca 0.02 0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3hdj s LEU 121 Cb -0.15 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3hdj s LEU 121 CO -0.10 0.13 0.09 -0.83 -1.32 0.00 0.00 176.35 174.33 3hdj s GLY 122 N 0.61 1.98 -0.11 7.98 0.00 0.63 0.00 107.32 118.41 3hdj s GLY 122 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.06 3hdj s GLY 122 CO 0.01 0.06 -0.11 -2.27 0.00 0.00 0.00 173.10 170.79 3hdj s LEU 123 N 0.28 1.45 -0.36 0.66 2.96 0.44 -0.65 118.68 123.46 3hdj s LEU 123 Ca 0.06 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 3hdj s LEU 123 Cb -0.12 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.64 3hdj s LEU 123 CO -0.01 -0.06 0.21 -0.36 -1.32 0.00 0.00 176.35 174.82 3hdj s PHE 124 N 1.37 3.23 0.00 5.38 0.08 -0.14 -1.25 117.98 126.65 3hdj s PHE 124 Ca -0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 3hdj s PHE 124 Cb -0.14 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 3hdj s PHE 124 CO -0.06 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 3hdj n GLY 125 N 5.03 0.99 1.33 4.36 0.00 -0.61 -0.03 105.19 116.27 3hdj n GLY 125 Ca -0.12 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.01 3hdj n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdj n ALA 126 N 2.37 3.07 -1.00 4.61 0.00 -1.26 -4.06 120.51 124.24 3hdj n ALA 126 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.66 3hdj n ALA 126 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3hdj n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hdj n GLY 127 N 0.54 -1.28 0.24 0.00 0.00 -1.26 -4.45 105.19 98.97 3hdj n GLY 127 Ca 0.23 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 3hdj n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdj h THR 128 N -0.62 0.88 0.03 2.61 1.03 -1.96 0.17 112.91 115.05 3hdj h THR 128 Ca 0.00 -0.18 -0.00 0.00 -0.01 0.00 0.00 66.41 66.21 3hdj h THR 128 Cb 0.00 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.37 3hdj h THR 128 CO 0.00 0.10 -0.02 -0.61 -0.01 0.00 0.00 175.52 174.98 3hdj h GLN 129 N 0.54 -0.04 -0.84 0.00 4.15 -1.92 -2.24 115.11 114.75 3hdj h GLN 129 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3hdj h GLN 129 Cb 0.27 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 3hdj h GLN 129 CO -0.23 0.30 0.48 0.78 -1.93 0.00 0.00 178.83 178.22 3hdj h GLY 130 N -0.39 1.24 1.05 2.39 0.00 -1.61 -2.02 103.07 103.74 3hdj h GLY 130 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 3hdj h GLY 130 CO 0.01 0.52 -0.05 0.00 0.00 0.00 0.00 176.54 177.02 3hdj h ALA 131 N 1.26 0.72 -0.64 3.60 0.00 -0.97 -0.28 119.26 122.94 3hdj h ALA 131 Ca 0.30 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hdj h ALA 131 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hdj h ALA 131 CO -0.05 0.58 0.14 1.49 0.00 0.00 0.00 179.25 181.41 3hdj h GLU 132 N 0.84 1.02 -0.49 0.00 4.57 -1.23 -0.90 114.58 118.39 3hdj h GLU 132 Ca 0.14 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3hdj h GLU 132 Cb 0.60 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3hdj h GLU 132 CO 0.04 0.91 0.21 0.45 -1.18 0.00 0.00 179.01 179.44 3hdj h HIS 133 N 0.97 0.73 -0.66 0.92 3.86 -0.95 -1.30 115.15 118.71 3hdj h HIS 133 Ca 0.20 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3hdj h HIS 133 Cb 0.36 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3hdj h HIS 133 CO 0.03 0.60 0.27 0.00 0.86 0.00 0.00 177.93 179.69 3hdj h ALA 134 N 1.06 0.86 0.13 2.45 0.00 -0.79 -0.08 119.26 122.89 3hdj h ALA 134 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hdj h ALA 134 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hdj h ALA 134 CO -0.02 0.47 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 3hdj h ALA 135 N 1.12 -0.18 -0.31 0.00 0.00 -0.99 0.16 119.26 119.06 3hdj h ALA 135 Ca 0.22 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3hdj h ALA 135 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hdj h ALA 135 CO -0.02 -0.54 -0.28 1.96 0.00 0.00 0.00 179.25 180.37 3hdj h GLN 136 N -0.29 0.63 -0.26 0.00 4.20 -1.12 -2.50 115.11 115.76 3hdj h GLN 136 Ca -0.02 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 3hdj h GLN 136 Cb 0.23 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3hdj h GLN 136 CO 0.03 0.84 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.74 3hdj h LEU 137 N 0.54 0.48 -1.82 1.46 3.38 -0.91 -2.58 115.31 115.87 3hdj h LEU 137 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hdj h LEU 137 Cb 0.75 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hdj h LEU 137 CO 0.06 0.71 -0.14 0.28 0.09 0.00 0.00 178.44 179.44 3hdj h SER 138 N 0.44 0.00 0.92 -0.43 0.02 -0.54 0.00 113.55 113.96 3hdj h SER 138 Ca 0.07 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.80 3hdj h SER 138 Cb 0.62 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3hdj h SER 138 CO 0.04 0.14 -1.12 0.00 -1.14 0.00 0.00 176.83 174.75 3hdj h ALA 139 N 1.86 0.45 0.06 3.77 0.00 -1.10 -3.37 119.26 120.94 3hdj h ALA 139 Ca -0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 54.91 53.62 3hdj h ALA 139 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hdj h ALA 139 CO 0.02 1.28 -1.51 -0.09 0.00 0.00 0.00 179.25 178.95 3hdj h ARG 140 N 0.00 0.13 -6.44 0.00 9.65 -0.96 -3.47 114.38 113.28 3hdj h ARG 140 Ca -0.07 -0.22 -0.63 0.00 -1.10 0.00 0.00 59.98 57.96 3hdj h ARG 140 Cb 1.80 0.08 -0.17 0.00 -1.39 0.00 0.00 29.97 30.29 3hdj h ARG 140 CO 0.12 0.92 -0.80 -0.06 2.80 0.00 0.00 179.97 182.94 3hdj s PHE 141 N -2.63 2.26 -1.28 2.20 0.08 -0.10 -5.06 117.98 113.45 3hdj s PHE 141 Ca -0.07 -0.36 -0.15 0.00 0.12 0.00 0.00 56.93 56.47 3hdj s PHE 141 Cb 0.08 -1.08 0.11 0.00 -0.57 0.00 0.00 43.02 41.56 3hdj s PHE 141 CO 0.83 0.55 1.68 0.00 -0.10 0.00 0.00 175.22 178.18 3hdj n ALA 142 N 0.02 4.01 -1.86 5.36 0.00 -1.26 -4.61 120.51 122.18 3hdj n ALA 142 Ca -0.10 -4.04 -0.39 0.00 0.00 0.00 0.00 53.44 48.90 3hdj n ALA 142 Cb 0.57 -3.34 -0.06 0.00 0.00 0.00 0.00 19.45 16.62 3hdj n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hdj s LEU 143 N 2.65 4.59 -0.01 0.00 1.43 -1.26 -4.40 118.68 121.68 3hdj s LEU 143 Ca 0.48 1.80 0.11 0.00 -1.03 0.00 0.00 54.13 55.49 3hdj s LEU 143 Cb 0.03 -3.52 -0.16 0.00 0.03 0.00 0.00 46.19 42.57 3hdj s LEU 143 CO 0.03 0.16 0.27 -0.62 0.23 0.00 0.00 176.35 176.41 3hdj n GLU 144 N 1.43 0.71 -3.67 1.70 1.02 0.95 -4.91 120.64 117.87 3hdj n GLU 144 Ca -0.03 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.88 3hdj n GLU 144 Cb 0.48 -1.23 -0.08 0.00 -0.02 0.00 0.00 31.44 30.59 3hdj n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hdj s ALA 145 N -2.67 -1.38 -0.19 0.62 0.00 -1.08 -4.36 121.76 112.69 3hdj s ALA 145 Ca -0.03 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 3hdj s ALA 145 Cb 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3hdj s ALA 145 CO 0.45 -0.28 -0.17 0.42 0.00 0.00 0.00 175.76 176.19 3hdj s ILE 146 N -0.09 2.34 -0.23 0.00 1.01 -0.49 -1.47 121.20 122.27 3hdj s ILE 146 Ca -0.03 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 3hdj s ILE 146 Cb -0.03 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3hdj s ILE 146 CO 0.03 0.51 0.08 -0.76 0.00 0.00 0.00 174.94 174.80 3hdj s LEU 147 N 1.33 3.62 -0.05 2.97 1.43 0.10 -1.02 118.68 127.06 3hdj s LEU 147 Ca 0.05 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3hdj s LEU 147 Cb -0.13 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3hdj s LEU 147 CO -0.11 0.02 -0.23 -0.69 0.23 0.00 0.00 176.35 175.58 3hdj s VAL 148 N 1.28 1.86 -0.12 -1.59 1.01 0.19 -0.42 120.40 122.62 3hdj s VAL 148 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3hdj s VAL 148 Cb -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3hdj s VAL 148 CO 0.04 0.52 -0.15 -2.28 0.00 0.00 0.00 175.10 173.23 3hdj s HIS 149 N -0.11 2.04 -0.25 5.22 5.04 -0.38 -0.91 115.29 125.94 3hdj s HIS 149 Ca -0.03 -1.01 -0.03 0.00 -1.54 0.00 0.00 55.06 52.45 3hdj s HIS 149 Cb -0.13 -1.48 0.14 0.00 0.04 0.00 0.00 32.58 31.15 3hdj s HIS 149 CO 0.03 -0.53 0.44 0.34 -2.34 0.00 0.00 174.74 172.68 3hdj s ASP 150 N 1.09 -0.19 0.40 9.88 -1.08 -1.26 -1.57 116.67 123.93 3hdj s ASP 150 Ca -0.04 0.49 0.28 0.00 -0.52 0.00 0.00 52.55 52.77 3hdj s ASP 150 Cb -0.14 1.39 1.29 0.00 -1.46 0.00 0.00 42.92 44.00 3hdj s ASP 150 CO -0.04 -0.28 1.85 -0.65 0.52 0.00 0.00 175.17 176.58 3hdj h PRO 151 N 8.14 0.00 0.00 4.34 0.11 -2.01 -2.95 132.00 139.62 3hdj h PRO 151 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3hdj h PRO 151 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hdj h PRO 151 CO 0.25 0.00 -1.23 0.66 -0.21 0.00 0.00 178.00 177.46 3hdj n TYR 152 N -2.57 0.00 -2.58 0.65 4.01 -1.26 -5.04 117.16 110.38 3hdj n TYR 152 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 3hdj n TYR 152 Cb 0.20 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3hdj n TYR 152 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hdj s ALA 153 N -2.68 3.10 0.62 -0.72 0.00 -1.12 -5.06 121.76 115.90 3hdj s ALA 153 Ca -0.01 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 3hdj s ALA 153 Cb 0.09 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3hdj s ALA 153 CO 0.56 -0.16 0.94 -1.54 0.00 0.00 0.00 175.76 175.57 3hdj s SER 154 N -1.58 5.53 0.31 0.00 1.04 -1.26 -5.00 113.70 112.74 3hdj s SER 154 Ca 0.57 0.78 0.02 0.00 0.48 0.00 0.00 55.95 57.79 3hdj s SER 154 Cb -0.21 -1.72 0.57 0.00 0.10 0.00 0.00 66.02 64.77 3hdj s SER 154 CO 0.27 -1.14 1.91 -0.65 0.98 0.00 0.00 173.24 174.61 3hdj h PRO 155 N -0.28 0.94 -0.98 4.02 0.11 -2.01 -2.34 132.00 131.46 3hdj h PRO 155 Ca -0.45 -0.06 0.14 0.00 0.11 0.00 0.00 66.00 65.74 3hdj h PRO 155 Cb 1.26 -0.21 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 3hdj h PRO 155 CO 0.61 0.62 0.60 0.93 -0.21 0.00 0.00 178.00 180.56 3hdj h GLU 156 N 0.97 0.85 -0.89 1.05 5.08 -1.99 -1.56 114.58 118.10 3hdj h GLU 156 Ca 0.38 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3hdj h GLU 156 Cb 0.24 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3hdj h GLU 156 CO -0.14 0.57 0.57 0.82 -1.00 0.00 0.00 179.01 179.82 3hdj h ILE 157 N 0.88 1.24 -0.19 3.13 1.08 -1.81 -1.08 117.51 120.76 3hdj h ILE 157 Ca 0.52 -0.46 -0.08 0.00 -0.39 0.00 0.00 64.86 64.45 3hdj h ILE 157 Cb 0.63 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3hdj h ILE 157 CO -0.31 0.23 -0.20 0.25 -0.69 0.00 0.00 178.15 177.43 3hdj h LEU 158 N 1.22 0.50 -1.23 1.44 5.85 -1.38 -2.19 115.31 119.53 3hdj h LEU 158 Ca 0.33 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3hdj h LEU 158 Cb -0.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3hdj h LEU 158 CO -0.07 0.89 0.54 -0.33 -0.34 0.00 0.00 178.44 179.13 3hdj h GLU 159 N 0.13 0.95 -0.42 1.25 5.08 -1.06 -1.32 114.58 119.20 3hdj h GLU 159 Ca 0.03 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3hdj h GLU 159 Cb 0.75 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3hdj h GLU 159 CO 0.05 0.63 -0.14 0.00 -1.00 0.00 0.00 179.01 178.55 3hdj h ARG 160 N 0.98 0.83 -0.05 2.33 3.08 -1.03 -2.05 114.38 118.48 3hdj h ARG 160 Ca 0.33 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hdj h ARG 160 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hdj h ARG 160 CO -0.10 0.97 -0.02 0.82 -1.07 0.00 0.00 179.97 180.57 3hdj h ILE 161 N 0.65 0.94 -0.73 2.04 2.04 -0.91 -0.15 117.51 121.40 3hdj h ILE 161 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 3hdj h ILE 161 Cb 0.69 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3hdj h ILE 161 CO 0.05 0.00 0.40 1.23 0.00 0.00 0.00 178.15 179.83 3hdj h GLY 162 N -0.01 1.09 0.79 5.37 0.00 -1.17 -0.08 103.07 109.06 3hdj h GLY 162 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3hdj h GLY 162 CO -0.05 0.13 -0.03 -0.09 0.00 0.00 0.00 176.54 176.50 3hdj h ARG 163 N 0.71 0.34 -0.73 4.80 2.43 -1.23 0.11 114.38 120.80 3hdj h ARG 163 Ca 0.34 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3hdj h ARG 163 Cb 0.27 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3hdj h ARG 163 CO -0.22 0.59 0.29 -0.09 -1.51 0.00 0.00 179.97 179.03 3hdj h ARG 164 N 0.06 1.09 0.00 0.20 2.43 -0.75 -3.01 114.38 114.40 3hdj h ARG 164 Ca 0.05 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3hdj h ARG 164 Cb 0.46 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hdj h ARG 164 CO 0.02 0.88 -0.76 0.00 -1.51 0.00 0.00 179.97 178.60 3hdj n GLY 166 N 1.24 0.05 2.95 0.00 0.00 0.35 -4.89 105.19 104.89 3hdj n GLY 166 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 3hdj n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hdj s VAL 167 N -2.52 0.60 0.09 1.61 1.01 -1.03 -5.05 120.40 115.11 3hdj s VAL 167 Ca 0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 61.98 61.41 3hdj s VAL 167 Cb 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 36.38 35.68 3hdj s VAL 167 CO 0.00 0.21 1.66 -2.65 0.00 0.00 0.00 175.10 174.32 3hdj n PRO 168 N 3.52 2.16 -5.18 2.72 -0.02 -1.26 -4.36 135.00 132.58 3hdj n PRO 168 Ca -0.20 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3hdj n PRO 168 Cb 0.54 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 3hdj n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hdj s ALA 169 N 1.77 2.28 0.00 3.55 0.00 -1.26 -1.39 121.76 126.71 3hdj s ALA 169 Ca 0.83 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3hdj s ALA 169 Cb -0.68 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3hdj s ALA 169 CO 0.42 0.44 0.00 2.89 0.00 0.00 0.00 175.76 179.51 3hdj n ARG 170 N 2.82 0.00 0.00 0.00 1.85 -0.19 -4.90 116.66 116.24 3hdj n ARG 170 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 3hdj n ARG 170 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 3hdj n ARG 170 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hdj n ALA 172 N -3.00 0.00 -1.77 2.89 0.00 -0.08 -0.63 120.51 117.91 3hdj n ALA 172 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3hdj n ALA 172 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3hdj n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hdj s ALA 173 N -1.94 3.28 0.32 0.00 0.00 -1.26 -4.23 121.76 117.93 3hdj s ALA 173 Ca 0.00 1.14 0.10 0.00 0.00 0.00 0.00 51.96 53.20 3hdj s ALA 173 Cb 0.00 -3.45 0.92 0.00 0.00 0.00 0.00 23.12 20.60 3hdj s ALA 173 CO 0.00 -0.67 1.68 -1.35 0.00 0.00 0.00 175.76 175.42 3hdj h PRO 174 N 2.87 0.35 -0.16 0.00 0.11 -1.95 -0.08 132.00 133.14 3hdj h PRO 174 Ca -0.49 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3hdj h PRO 174 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hdj h PRO 174 CO 0.63 0.23 -0.47 0.00 -0.21 0.00 0.00 178.00 178.19 3hdj h ALA 175 N 1.79 0.90 -0.08 -0.75 0.00 -1.92 -1.25 119.26 117.96 3hdj h ALA 175 Ca 0.66 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 3hdj h ALA 175 Cb 1.39 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3hdj h ALA 175 CO -0.58 0.65 -0.84 -0.44 0.00 0.00 0.00 179.25 178.05 3hdj h ASP 176 N 0.33 0.72 0.21 0.00 3.32 -1.46 -1.60 116.42 117.95 3hdj h ASP 176 Ca 0.02 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3hdj h ASP 176 Cb 0.95 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3hdj h ASP 176 CO 0.08 1.29 -0.12 0.40 -1.72 0.00 0.00 179.24 179.17 3hdj h ILE 177 N 0.38 0.74 -0.99 0.35 2.04 -0.88 -1.52 117.51 117.64 3hdj h ILE 177 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3hdj h ILE 177 Cb 1.45 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3hdj h ILE 177 CO 0.16 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.96 3hdj h ALA 178 N 0.46 1.28 -0.12 1.87 0.00 -1.21 -1.08 119.26 120.47 3hdj h ALA 178 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3hdj h ALA 178 Cb 0.26 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hdj h ALA 178 CO 0.03 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.58 3hdj h ALA 179 N 1.39 1.31 0.00 0.00 0.00 -1.03 -1.88 119.26 119.04 3hdj h ALA 179 Ca 0.38 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3hdj h ALA 179 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hdj h ALA 179 CO -0.10 0.47 -1.85 1.04 0.00 0.00 0.00 179.25 178.81 3hdj n GLN 180 N -4.14 0.86 -2.62 0.00 6.02 -0.59 -4.43 117.38 112.47 3hdj n GLN 180 Ca -0.01 -0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 3hdj n GLN 180 Cb 0.38 -1.39 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 3hdj n GLN 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hdj s ALA 181 N -2.86 3.34 0.14 -1.58 0.00 -0.46 -4.83 121.76 115.50 3hdj s ALA 181 Ca -0.07 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.69 3hdj s ALA 181 Cb 0.08 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.78 3hdj s ALA 181 CO 0.66 -0.04 1.32 -0.44 0.00 0.00 0.00 175.76 177.26 3hdj h ASP 182 N 4.71 0.02 -3.54 0.00 3.32 -1.34 -3.43 116.42 116.17 3hdj h ASP 182 Ca -0.45 -0.02 -0.36 0.00 0.02 0.00 0.00 57.03 56.23 3hdj h ASP 182 Cb 1.21 -0.01 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 3hdj h ASP 182 CO 0.70 0.96 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.79 3hdj s ILE 183 N -2.85 0.31 -0.09 0.35 1.01 -1.04 -2.09 121.20 116.80 3hdj s ILE 183 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.67 3hdj s ILE 183 Cb 0.10 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 3hdj s ILE 183 CO 0.81 0.16 -0.21 -0.69 0.00 0.00 0.00 174.94 175.02 3hdj s VAL 184 N 0.83 2.40 -0.10 2.92 1.01 -0.09 -0.27 120.40 127.10 3hdj s VAL 184 Ca -0.09 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3hdj s VAL 184 Cb -0.12 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3hdj s VAL 184 CO -0.01 0.56 -0.24 -0.69 0.00 0.00 0.00 175.10 174.72 3hdj s VAL 185 N 0.10 2.02 -0.25 2.92 1.01 0.18 -0.07 120.40 126.31 3hdj s VAL 185 Ca -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 3hdj s VAL 185 Cb -0.16 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.49 3hdj s VAL 185 CO 0.06 0.55 -0.03 0.42 0.00 0.00 0.00 175.10 176.10 3hdj s THR 186 N 0.34 3.26 -0.45 3.92 -4.23 -0.34 -0.96 115.64 117.18 3hdj s THR 186 Ca -0.18 -0.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 3hdj s THR 186 Cb -0.18 -2.59 0.37 0.00 1.34 0.00 0.00 72.50 71.44 3hdj s THR 186 CO 0.09 0.27 0.87 0.00 -0.54 0.00 0.00 174.62 175.30 3hdj n ALA 187 N 4.76 3.43 -2.52 3.99 0.00 0.96 -0.75 120.51 130.37 3hdj n ALA 187 Ca -0.17 -3.92 -0.25 0.00 0.00 0.00 0.00 53.44 49.10 3hdj n ALA 187 Cb 0.49 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 3hdj n ALA 187 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hdj s THR 188 N -3.55 1.10 -0.33 0.00 -4.23 -1.26 -4.50 115.64 102.88 3hdj s THR 188 Ca 0.42 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.09 3hdj s THR 188 Cb 0.34 -2.61 0.73 0.00 1.34 0.00 0.00 72.50 72.30 3hdj s THR 188 CO -0.10 0.00 1.65 -2.11 -0.54 0.00 0.00 174.62 173.52 3hdj n ARG 189 N -0.85 4.25 -1.69 3.99 -4.01 -1.26 -4.23 116.66 112.85 3hdj n ARG 189 Ca -0.06 -3.04 -0.42 0.00 -1.04 0.00 0.00 57.85 53.29 3hdj n ARG 189 Cb 0.66 -2.11 -0.00 0.00 -3.04 0.00 0.00 32.46 27.97 3hdj n ARG 189 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 3hdj n SER 190 N 0.37 2.61 0.06 2.89 7.64 -1.26 -4.90 113.62 121.02 3hdj n SER 190 Ca 0.26 1.18 0.12 0.00 1.01 0.00 0.00 58.87 61.43 3hdj n SER 190 Cb 1.08 -1.48 0.10 0.00 -1.01 0.00 0.00 64.21 62.90 3hdj n SER 190 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hdj n THR 191 N 0.17 0.33 -4.29 0.44 -2.24 -1.26 -4.48 114.28 102.96 3hdj n THR 191 Ca 0.05 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 3hdj n THR 191 Cb 0.37 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 3hdj n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hdj s THR 192 N -3.21 1.30 0.41 4.28 -4.23 -1.12 -1.83 115.64 111.24 3hdj s THR 192 Ca 0.04 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.20 3hdj s THR 192 Cb 0.13 -1.97 -0.10 0.00 1.34 0.00 0.00 72.50 71.90 3hdj s THR 192 CO 0.76 -0.65 1.28 -2.65 -0.54 0.00 0.00 174.62 172.82 3hdj n PRO 193 N -0.28 1.98 0.12 3.99 -0.02 -1.13 -4.56 135.00 135.10 3hdj n PRO 193 Ca -0.09 0.70 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 3hdj n PRO 193 Cb 0.61 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 3hdj n PRO 193 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hdj h LEU 194 N 2.18 0.00 -7.79 2.45 3.38 -1.57 -3.48 115.31 110.48 3hdj h LEU 194 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3hdj h LEU 194 Cb 1.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 3hdj h LEU 194 CO 0.60 0.30 0.05 0.72 0.09 0.00 0.00 178.44 180.20 3hdj s PHE 195 N -3.10 -0.07 -0.11 1.13 -0.12 -1.26 -4.88 117.98 109.57 3hdj s PHE 195 Ca 0.02 -0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 56.32 3hdj s PHE 195 Cb 0.08 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 3hdj s PHE 195 CO 0.76 -0.98 0.97 0.00 -0.05 0.00 0.00 175.22 175.92 3hdj s ALA 196 N -3.90 3.40 0.65 1.99 0.00 -1.26 -4.55 121.76 118.09 3hdj s ALA 196 Ca 0.11 0.32 0.38 0.00 0.00 0.00 0.00 51.96 52.77 3hdj s ALA 196 Cb -0.02 -3.38 2.11 0.00 0.00 0.00 0.00 23.12 21.84 3hdj s ALA 196 CO 0.00 -0.57 2.24 0.78 0.00 0.00 0.00 175.76 178.21 3hdj h GLY 197 N 7.94 0.00 2.00 0.00 0.00 -1.90 -0.21 103.07 110.89 3hdj h GLY 197 Ca -0.32 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3hdj h GLY 197 CO 0.84 0.00 -0.23 1.46 0.00 0.00 0.00 176.54 178.61 3hdj h GLN 198 N 0.00 0.00 0.00 4.80 7.50 -1.91 -3.03 115.11 122.47 3hdj h GLN 198 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3hdj h GLN 198 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 3hdj h GLN 198 CO -0.00 0.23 0.00 0.00 -1.50 0.00 0.00 178.83 177.56 3hdj h ALA 199 N 1.77 1.00 -2.88 3.87 0.00 -1.41 -3.47 119.26 118.14 3hdj h ALA 199 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 3hdj h ALA 199 Cb 0.64 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.52 3hdj h ALA 199 CO 0.03 0.00 0.82 -0.51 0.00 0.00 0.00 179.25 179.59 3hdj s LEU 200 N -5.04 4.33 0.33 0.00 1.43 -1.14 -2.93 118.68 115.66 3hdj s LEU 200 Ca 0.07 3.00 -0.28 0.00 -1.03 0.00 0.00 54.13 55.89 3hdj s LEU 200 Cb 0.10 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 3hdj s LEU 200 CO 0.55 -0.88 1.20 -0.60 0.23 0.00 0.00 176.35 176.85 3hdj s ARG 201 N -1.43 4.39 0.27 1.70 3.52 -0.71 -4.90 118.95 121.79 3hdj s ARG 201 Ca 0.57 1.98 -0.30 0.00 -0.13 0.00 0.00 55.73 57.85 3hdj s ARG 201 Cb -0.47 -3.03 -0.13 0.00 -1.56 0.00 0.00 34.95 29.76 3hdj s ARG 201 CO 0.57 -0.07 1.32 0.00 -0.81 0.00 0.00 175.30 176.31 3hdj n ALA 202 N 0.78 0.94 0.00 6.12 0.00 -1.26 -2.04 120.51 125.05 3hdj n ALA 202 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3hdj n ALA 202 Cb 0.44 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3hdj n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hdj n GLY 203 N 1.64 1.24 3.75 0.00 0.00 -0.19 -4.89 105.19 106.73 3hdj n GLY 203 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3hdj n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdj s ALA 204 N -2.32 2.79 -0.14 4.61 0.00 -0.86 -4.55 121.76 121.29 3hdj s ALA 204 Ca 0.00 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 3hdj s ALA 204 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3hdj s ALA 204 CO 0.00 -1.24 -0.01 0.12 0.00 0.00 0.00 175.76 174.63 3hdj s PHE 205 N -1.38 3.10 -0.15 0.00 5.36 -0.89 -1.74 117.98 122.28 3hdj s PHE 205 Ca 0.71 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 3hdj s PHE 205 Cb -0.37 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3hdj s PHE 205 CO 0.44 0.11 -0.15 0.08 -1.46 0.00 0.00 175.22 174.24 3hdj s VAL 206 N 0.08 1.60 -0.55 3.12 1.01 -0.44 -0.91 120.40 124.31 3hdj s VAL 206 Ca 0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 3hdj s VAL 206 Cb -0.13 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 34.89 3hdj s VAL 206 CO 0.02 0.46 0.48 -0.83 0.00 0.00 0.00 175.10 175.23 3hdj s GLY 207 N 1.45 2.14 -0.54 4.51 0.00 0.90 0.30 107.32 116.08 3hdj s GLY 207 Ca 0.04 -2.64 -0.21 0.00 0.00 0.00 0.00 44.72 41.91 3hdj s GLY 207 CO -0.10 1.18 0.77 0.00 0.00 0.00 0.00 173.10 174.94 3hdj s ALA 208 N 1.34 3.28 -0.06 3.20 0.00 0.57 -1.20 121.76 128.90 3hdj s ALA 208 Ca 0.06 -1.59 0.10 0.00 0.00 0.00 0.00 51.96 50.53 3hdj s ALA 208 Cb -0.27 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.17 3hdj s ALA 208 CO 0.00 -2.22 0.13 -0.89 0.00 0.00 0.00 175.76 172.79 3hdj n ILE 209 N 5.85 0.39 -0.04 0.00 2.08 0.07 -1.24 119.36 126.47 3hdj n ILE 209 Ca -0.03 -0.36 -0.12 0.00 0.56 0.00 0.00 62.75 62.80 3hdj n ILE 209 Cb 0.46 -0.29 0.01 0.00 -0.75 0.00 0.00 39.64 39.07 3hdj n ILE 209 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3hdj h GLY 210 N 2.06 0.78 -5.80 7.39 0.00 -1.61 -3.45 103.07 102.44 3hdj h GLY 210 Ca -0.15 -0.92 -0.60 0.00 0.00 0.00 0.00 47.33 45.66 3hdj h GLY 210 CO 0.01 0.82 -0.33 -0.45 0.00 0.00 0.00 176.54 176.59 3hdj s SER 211 N -6.94 6.46 -0.04 0.19 0.15 -1.26 -4.77 113.70 107.50 3hdj s SER 211 Ca -0.09 0.54 0.18 0.00 0.70 0.00 0.00 55.95 57.28 3hdj s SER 211 Cb 0.11 -2.18 0.33 0.00 -1.71 0.00 0.00 66.02 62.57 3hdj s SER 211 CO 0.87 0.15 1.14 -1.54 1.20 0.00 0.00 173.24 175.06 3hdj n SER 212 N 3.26 0.98 -4.60 5.45 3.41 -1.26 -4.73 113.62 116.12 3hdj n SER 212 Ca -0.13 -2.36 -0.34 0.00 -0.26 0.00 0.00 58.87 55.78 3hdj n SER 212 Cb 0.52 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 3hdj n SER 212 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hdj s LEU 213 N -0.68 3.25 0.00 1.04 1.43 -1.19 -4.66 118.68 117.87 3hdj s LEU 213 Ca 0.27 -0.00 0.15 0.00 -1.03 0.00 0.00 54.13 53.52 3hdj s LEU 213 Cb 0.30 -1.73 0.68 0.00 0.03 0.00 0.00 46.19 45.46 3hdj s LEU 213 CO -0.11 0.36 1.43 -0.81 0.23 0.00 0.00 176.35 177.45 3hdj n PRO 214 N 2.13 0.10 -0.04 1.29 -0.04 -0.34 -1.15 135.00 136.95 3hdj n PRO 214 Ca -0.18 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 3hdj n PRO 214 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 3hdj n PRO 214 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3hdj n HIS 215 N -1.39 0.11 -4.55 0.54 1.44 -1.26 -4.04 115.22 106.07 3hdj n HIS 215 Ca 0.05 -0.10 -0.30 0.00 -2.01 0.00 0.00 57.72 55.36 3hdj n HIS 215 Cb 0.14 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.13 3hdj n HIS 215 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3hdj s THR 216 N -1.09 2.80 -0.00 0.61 -4.23 -1.06 -4.98 115.64 107.69 3hdj s THR 216 Ca 0.18 -1.29 -0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3hdj s THR 216 Cb 0.12 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3hdj s THR 216 CO 0.17 0.26 0.01 0.00 -0.54 0.00 0.00 174.62 174.52 3hdj s ARG 217 N -1.66 0.01 0.04 3.99 1.70 -0.76 -2.96 118.95 119.31 3hdj s ARG 217 Ca 0.16 0.02 0.22 0.00 -0.47 0.00 0.00 55.73 55.65 3hdj s ARG 217 Cb -0.11 0.00 -0.23 0.00 -0.57 0.00 0.00 34.95 34.04 3hdj s ARG 217 CO 0.07 -0.00 0.65 0.39 -1.08 0.00 0.00 175.30 175.32 3hdj n GLU 218 N 3.10 0.64 -4.26 3.89 1.02 -1.26 -2.78 120.64 120.98 3hdj n GLU 218 Ca -0.12 -0.09 -0.26 0.00 -0.02 0.00 0.00 57.16 56.66 3hdj n GLU 218 Cb 0.60 -1.62 -0.09 0.00 -0.02 0.00 0.00 31.44 30.31 3hdj n GLU 218 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hdj s LEU 219 N -4.81 3.11 0.41 -4.62 1.43 -1.26 -1.52 118.68 111.42 3hdj s LEU 219 Ca -0.06 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3hdj s LEU 219 Cb 0.12 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3hdj s LEU 219 CO 0.87 0.09 0.55 1.51 0.23 0.00 0.00 176.35 179.60 3hdj s ASP 220 N -2.96 5.64 0.29 2.29 1.47 -1.26 -4.66 116.67 117.48 3hdj s ASP 220 Ca 0.26 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.57 3hdj s ASP 220 Cb -0.09 -0.69 0.51 0.00 -0.34 0.00 0.00 42.92 42.32 3hdj s ASP 220 CO 0.17 -0.73 1.88 0.44 0.68 0.00 0.00 175.17 177.61 3hdj h ASP 221 N 0.68 0.94 -0.94 2.11 3.32 -1.96 -1.64 116.42 118.92 3hdj h ASP 221 Ca -0.40 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.71 3hdj h ASP 221 Cb 1.28 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 3hdj h ASP 221 CO 0.46 0.57 0.61 -0.08 -1.72 0.00 0.00 179.24 179.09 3hdj h GLU 222 N 1.05 1.13 -0.24 3.56 4.57 -1.95 0.18 114.58 122.89 3hdj h GLU 222 Ca 0.43 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.57 3hdj h GLU 222 Cb 0.29 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3hdj h GLU 222 CO -0.18 0.75 0.05 0.00 -1.18 0.00 0.00 179.01 178.44 3hdj h ALA 223 N 1.40 0.24 -0.65 2.92 0.00 -1.52 -0.11 119.26 121.54 3hdj h ALA 223 Ca 0.38 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3hdj h ALA 223 Cb 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hdj h ALA 223 CO -0.13 -0.37 0.20 -0.07 0.00 0.00 0.00 179.25 178.87 3hdj h LEU 224 N 0.14 0.92 -0.19 0.00 3.38 -1.18 -2.06 115.31 116.33 3hdj h LEU 224 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hdj h LEU 224 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hdj h LEU 224 CO -0.14 0.87 0.08 -0.09 0.09 0.00 0.00 178.44 179.24 3hdj h ARG 225 N 0.96 0.28 -0.01 1.13 2.43 -0.62 -3.08 114.38 115.46 3hdj h ARG 225 Ca 0.21 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3hdj h ARG 225 Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hdj h ARG 225 CO -0.01 0.34 -0.24 0.00 -1.51 0.00 0.00 179.97 178.55 3hdj h ARG 226 N 0.15 0.02 -6.84 0.20 3.08 -0.79 -3.45 114.38 106.76 3hdj h ARG 226 Ca 0.06 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.58 3hdj h ARG 226 Cb 0.17 -0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.28 3hdj h ARG 226 CO -0.01 0.27 0.69 0.00 -1.07 0.00 0.00 179.97 179.85 3hdj s ALA 227 N -4.49 3.54 0.15 0.04 0.00 -0.79 -4.56 121.76 115.65 3hdj s ALA 227 Ca -0.04 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 3hdj s ALA 227 Cb 0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3hdj s ALA 227 CO 0.71 -0.71 1.44 -0.09 0.00 0.00 0.00 175.76 177.11 3hdj h ARG 228 N 3.89 0.73 -3.13 0.00 9.65 -1.01 -3.47 114.38 121.04 3hdj h ARG 228 Ca -0.48 -0.48 -0.14 0.00 -1.10 0.00 0.00 59.98 57.78 3hdj h ARG 228 Cb 1.22 0.06 -0.22 0.00 -1.39 0.00 0.00 29.97 29.64 3hdj h ARG 228 CO 0.69 1.10 -0.36 0.00 2.80 0.00 0.00 179.97 184.20 3hdj s ALA 229 N -4.03 -0.67 -0.23 2.80 0.00 -1.26 -4.83 121.76 113.55 3hdj s ALA 229 Ca -0.09 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3hdj s ALA 229 Cb 0.10 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.11 3hdj s ALA 229 CO 0.87 -0.20 -0.15 0.08 0.00 0.00 0.00 175.76 176.37 3hdj s VAL 230 N -0.69 2.13 -0.16 0.00 1.01 -0.47 -1.46 120.40 120.76 3hdj s VAL 230 Ca -0.08 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.45 3hdj s VAL 230 Cb -0.04 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3hdj s VAL 230 CO 0.02 0.20 0.17 -0.69 0.00 0.00 0.00 175.10 174.79 3hdj s VAL 231 N 1.18 5.42 0.15 2.92 1.01 0.16 -1.28 120.40 129.95 3hdj s VAL 231 Ca -0.03 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3hdj s VAL 231 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3hdj s VAL 231 CO -0.08 0.50 -0.15 0.68 0.00 0.00 0.00 175.10 176.05 3hdj s VAL 232 N -0.18 1.54 0.20 2.92 -7.23 -0.11 -1.12 120.40 116.42 3hdj s VAL 232 Ca 0.12 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 3hdj s VAL 232 Cb -0.12 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.10 3hdj s VAL 232 CO 0.01 -0.43 1.58 -0.33 -0.31 0.00 0.00 175.10 175.62 3hdj h GLU 233 N 3.24 0.77 -1.30 4.82 5.08 -1.88 0.13 114.58 125.45 3hdj h GLU 233 Ca -0.40 -0.36 0.11 0.00 -1.00 0.00 0.00 59.36 57.71 3hdj h GLU 233 Cb 1.20 -0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 3hdj h GLU 233 CO 0.53 0.98 -0.11 -0.46 -1.00 0.00 0.00 179.01 178.95 3hdj s TRP 234 N -4.46 -1.28 0.26 4.33 -0.00 -1.26 -4.50 118.94 112.04 3hdj s TRP 234 Ca -0.09 1.76 -0.02 0.00 -0.00 0.00 0.00 56.10 57.75 3hdj s TRP 234 Cb 0.12 0.60 0.46 0.00 -0.00 0.00 0.00 33.47 34.65 3hdj s TRP 234 CO 0.85 -0.67 1.84 -0.09 -0.00 0.00 0.00 176.95 178.87 3hdj h ARG 235 N 7.93 0.94 -0.69 5.86 2.43 -1.95 -0.92 114.38 127.98 3hdj h ARG 235 Ca -0.19 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3hdj h ARG 235 Cb 1.13 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 3hdj h ARG 235 CO 0.14 0.62 0.41 1.49 -1.51 0.00 0.00 179.97 181.12 3hdj h GLU 236 N 0.97 0.75 0.00 0.20 4.81 -1.99 -1.38 114.58 117.94 3hdj h GLU 236 Ca 0.45 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.59 3hdj h GLU 236 Cb 0.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3hdj h GLU 236 CO -0.24 0.49 -0.23 0.37 -0.73 0.00 0.00 179.01 178.68 3hdj h GLN 237 N 0.77 0.00 -0.91 1.92 4.15 -1.87 -3.35 115.11 115.82 3hdj h GLN 237 Ca 0.29 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.73 3hdj h GLN 237 Cb 0.11 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 3hdj h GLN 237 CO -0.15 0.84 0.60 1.15 -1.93 0.00 0.00 178.83 179.34 3hdj h THR 238 N -1.00 1.21 0.00 2.39 2.02 -1.11 -0.66 112.91 115.76 3hdj h THR 238 Ca -0.06 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3hdj h THR 238 Cb 0.90 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3hdj h THR 238 CO -0.04 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.26 3hdj n LEU 239 N -4.46 0.26 -0.05 2.58 4.32 -0.53 -1.37 117.00 117.75 3hdj n LEU 239 Ca 0.11 0.55 -0.20 0.00 -0.02 0.00 0.00 56.01 56.45 3hdj n LEU 239 Cb 0.03 -0.50 -0.13 0.00 -1.62 0.00 0.00 43.42 41.20 3hdj n LEU 239 CO 0.36 -0.28 -1.03 -0.24 -1.22 0.00 0.00 177.39 174.99 3hdj n SER 240 N -1.78 2.06 -0.01 -1.43 2.88 -0.37 -4.51 113.62 110.47 3hdj n SER 240 Ca 0.04 0.07 -0.19 0.00 -1.33 0.00 0.00 58.87 57.46 3hdj n SER 240 Cb 0.25 -0.68 -0.14 0.00 -0.75 0.00 0.00 64.21 62.89 3hdj n SER 240 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hdj n GLU 241 N -3.39 0.73 -2.65 -1.46 1.02 -0.54 -4.68 120.64 109.66 3hdj n GLU 241 Ca -0.38 0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 56.60 3hdj n GLU 241 Cb 1.03 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 3hdj n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hdj s ALA 242 N -2.56 3.09 0.49 0.62 0.00 -0.47 -1.20 121.76 121.72 3hdj s ALA 242 Ca -0.20 -0.81 0.20 0.00 0.00 0.00 0.00 51.96 51.15 3hdj s ALA 242 Cb 0.07 -3.91 1.24 0.00 0.00 0.00 0.00 23.12 20.52 3hdj s ALA 242 CO 0.77 -2.46 2.01 0.78 0.00 0.00 0.00 175.76 176.87 3hdj h GLY 243 N 11.46 0.22 0.93 0.00 0.00 -1.09 0.21 103.07 114.80 3hdj h GLY 243 Ca -0.25 -0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.14 3hdj h GLY 243 CO 1.14 0.03 0.42 -0.55 0.00 0.00 0.00 176.54 177.58 3hdj h ASP 244 N 0.15 0.00 0.00 0.19 3.32 -1.81 0.78 116.42 119.06 3hdj h ASP 244 Ca 0.23 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.95 3hdj h ASP 244 Cb 0.70 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3hdj h ASP 244 CO -0.03 0.00 -2.15 0.18 -1.72 0.00 0.00 179.24 175.51 3hdj n LEU 245 N -3.83 2.27 -0.36 1.55 4.77 0.49 -4.18 117.00 117.71 3hdj n LEU 245 Ca 0.07 0.07 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 3hdj n LEU 245 Cb 0.60 -0.66 0.24 0.00 -2.33 0.00 0.00 43.42 41.27 3hdj n LEU 245 CO 0.29 0.65 1.22 0.58 -1.33 0.00 0.00 177.39 178.80 3hdj h VAL 246 N -0.36 0.89 -0.06 4.08 2.07 -0.72 -2.35 116.25 119.78 3hdj h VAL 246 Ca -0.49 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3hdj h VAL 246 Cb 1.58 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hdj h VAL 246 CO -0.19 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.75 3hdj n LEU 247 N -4.65 1.83 -4.77 2.57 4.77 0.26 -4.94 117.00 112.06 3hdj n LEU 247 Ca 0.19 -0.65 -0.41 0.00 -0.03 0.00 0.00 56.01 55.11 3hdj n LEU 247 Cb 0.38 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3hdj n LEU 247 CO 0.26 0.33 1.13 0.00 -1.33 0.00 0.00 177.39 177.78 3hdj s ALA 248 N -1.94 3.59 0.51 -1.18 0.00 -0.89 -5.00 121.76 116.85 3hdj s ALA 248 Ca 0.35 1.53 -0.19 0.00 0.00 0.00 0.00 51.96 53.65 3hdj s ALA 248 Cb 0.20 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 3hdj s ALA 248 CO 0.31 -0.99 1.05 0.00 0.00 0.00 0.00 175.76 176.14 3hdj s ALA 249 N -0.97 2.83 0.48 0.00 0.00 -1.26 -4.92 121.76 117.92 3hdj s ALA 249 Ca 0.54 0.60 0.13 0.00 0.00 0.00 0.00 51.96 53.23 3hdj s ALA 249 Cb -0.46 -3.26 1.11 0.00 0.00 0.00 0.00 23.12 20.51 3hdj s ALA 249 CO 0.60 -0.44 2.11 -1.35 0.00 0.00 0.00 175.76 176.67 3hdj h PRO 250 N 1.35 0.21 -1.09 0.00 0.11 -2.00 -1.05 132.00 129.54 3hdj h PRO 250 Ca -0.49 -0.01 0.37 0.00 0.11 0.00 0.00 66.00 65.97 3hdj h PRO 250 Cb 1.23 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 3hdj h PRO 250 CO 0.58 0.14 0.72 -3.47 -0.21 0.00 0.00 178.00 175.76 3hdj n ASP 251 N -4.51 0.13 0.10 -2.05 -0.08 -1.26 -1.42 116.55 107.46 3hdj n ASP 251 Ca -0.00 0.99 0.12 0.00 -1.51 0.00 0.00 54.79 54.39 3hdj n ASP 251 Cb 0.09 -0.49 0.45 0.00 2.34 0.00 0.00 41.12 43.51 3hdj n ASP 251 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3hdj n THR 252 N -4.07 0.66 -2.40 5.18 -2.24 -0.40 -4.89 114.28 106.11 3hdj n THR 252 Ca 0.30 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.90 3hdj n THR 252 Cb 1.22 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3hdj n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hdj n GLY 253 N 0.71 -0.34 0.26 3.38 0.00 -0.51 -4.18 105.19 104.51 3hdj n GLY 253 Ca 0.04 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3hdj n GLY 253 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hdj h LEU 254 N -0.15 0.84 -0.41 0.99 5.85 -1.84 -3.18 115.31 117.40 3hdj h LEU 254 Ca -0.42 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.15 3hdj h LEU 254 Cb 1.30 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 3hdj h LEU 254 CO 0.48 0.84 -0.45 0.44 -0.34 0.00 0.00 178.44 179.42 3hdj h ASP 255 N 0.80 -1.48 0.82 1.25 3.32 -1.91 -1.34 116.42 117.87 3hdj h ASP 255 Ca 0.18 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3hdj h ASP 255 Cb 0.32 0.64 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3hdj h ASP 255 CO -0.00 -0.37 0.00 0.00 -1.72 0.00 0.00 179.24 177.14 3hdj h ALA 256 N 0.37 1.00 -0.17 3.45 0.00 -1.97 -3.05 119.26 118.89 3hdj h ALA 256 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hdj h ALA 256 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hdj h ALA 256 CO -0.58 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.03 3hdj n LYS 257 N -2.43 1.98 -2.49 0.00 2.85 -0.52 -4.96 118.16 112.59 3hdj n LYS 257 Ca 0.02 -1.86 -0.42 0.00 -1.05 0.00 0.00 58.31 55.00 3hdj n LYS 257 Cb 0.25 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.20 3hdj n LYS 257 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3hdj s VAL 258 N -1.48 4.02 0.04 0.58 1.01 -1.08 -1.37 120.40 122.11 3hdj s VAL 258 Ca 0.27 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.84 3hdj s VAL 258 Cb 0.18 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3hdj s VAL 258 CO 0.25 0.19 -0.06 0.68 0.00 0.00 0.00 175.10 176.17 3hdj s VAL 259 N 0.44 0.35 0.07 2.92 -7.23 -0.41 -4.93 120.40 111.62 3hdj s VAL 259 Ca 0.54 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 3hdj s VAL 259 Cb -0.29 -0.54 -0.06 0.00 0.56 0.00 0.00 36.38 36.05 3hdj s VAL 259 CO 0.32 -0.48 0.52 -1.61 -0.31 0.00 0.00 175.10 173.54 3hdj s GLU 260 N -1.71 4.06 0.26 4.82 2.02 -1.26 -0.93 118.70 125.96 3hdj s GLU 260 Ca -0.11 0.57 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 3hdj s GLU 260 Cb -0.09 -3.15 0.50 0.00 0.10 0.00 0.00 34.13 31.50 3hdj s GLU 260 CO -0.01 0.61 1.78 1.25 0.02 0.00 0.00 175.26 178.92 3hdj h LEU 261 N 4.32 0.62 -1.00 1.80 5.85 -0.95 -1.41 115.31 124.53 3hdj h LEU 261 Ca -0.50 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.35 3hdj h LEU 261 Cb 1.21 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3hdj h LEU 261 CO 0.64 0.30 0.65 0.00 -0.34 0.00 0.00 178.44 179.68 3hdj h ALA 262 N 1.53 1.37 -0.37 1.25 0.00 -1.84 -0.50 119.26 120.70 3hdj h ALA 262 Ca 0.45 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 3hdj h ALA 262 Cb 0.57 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hdj h ALA 262 CO -0.32 0.48 -0.25 -0.44 0.00 0.00 0.00 179.25 178.72 3hdj h ASP 263 N 1.21 0.78 0.21 0.00 3.32 -1.63 -0.23 116.42 120.08 3hdj h ASP 263 Ca 0.42 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hdj h ASP 263 Cb 0.11 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3hdj h ASP 263 CO -0.16 1.00 -0.19 0.58 -1.72 0.00 0.00 179.24 178.75 3hdj h VAL 264 N 0.66 0.58 -0.06 -1.35 2.07 -1.07 -0.56 116.25 116.51 3hdj h VAL 264 Ca 0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hdj h VAL 264 Cb 0.77 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3hdj h VAL 264 CO 0.06 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.34 3hdj h LEU 265 N -0.43 0.10 0.00 2.57 3.38 -0.98 -1.79 115.31 118.16 3hdj h LEU 265 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hdj h LEU 265 Cb 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hdj h LEU 265 CO -0.04 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3hdj n ALA 266 N -2.49 2.42 -2.19 1.53 0.00 -0.11 -4.91 120.51 114.76 3hdj n ALA 266 Ca -0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 3hdj n ALA 266 Cb 0.32 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3hdj n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hdj n GLY 267 N 0.97 -0.07 0.07 0.00 0.00 -0.67 -4.93 105.19 100.56 3hdj n GLY 267 Ca 0.15 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3hdj n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hdj n ARG 268 N -2.26 0.65 0.06 1.61 1.74 -0.25 -4.72 116.66 113.48 3hdj n ARG 268 Ca -0.15 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.83 3hdj n ARG 268 Cb 0.60 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 3hdj n ARG 268 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hdj h ALA 269 N 1.62 0.33 -7.05 7.54 0.00 -1.76 -3.49 119.26 116.45 3hdj h ALA 269 Ca -0.16 -1.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.10 3hdj h ALA 269 Cb 1.43 0.10 -0.19 0.00 0.00 0.00 0.00 17.79 19.13 3hdj h ALA 269 CO 0.02 1.20 -0.97 0.00 0.00 0.00 0.00 179.25 179.50 3hdj n ALA 270 N -2.52 -2.03 -0.21 0.00 0.00 -1.26 -4.84 120.51 109.64 3hdj n ALA 270 Ca -0.09 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 3hdj n ALA 270 Cb 1.01 -0.91 0.09 0.00 0.00 0.00 0.00 19.45 19.64 3hdj n ALA 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hdj h ALA 271 N 0.83 1.02 -1.99 0.00 0.00 -1.96 -3.39 119.26 113.76 3hdj h ALA 271 Ca -0.66 -0.25 -0.59 0.00 0.00 0.00 0.00 54.91 53.41 3hdj h ALA 271 Cb 1.40 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 3hdj h ALA 271 CO 0.70 0.63 0.62 0.50 0.00 0.00 0.00 179.25 181.71 3hdj s ARG 272 N -5.23 3.78 0.00 0.00 3.52 -1.26 -4.65 118.95 115.10 3hdj s ARG 272 Ca -0.11 0.50 0.24 0.00 -0.13 0.00 0.00 55.73 56.24 3hdj s ARG 272 Cb 0.15 -3.83 0.36 0.00 -1.56 0.00 0.00 34.95 30.06 3hdj s ARG 272 CO 0.83 -1.03 1.32 1.04 -0.81 0.00 0.00 175.30 176.65 3hdj n GLN 273 N 6.93 1.07 -3.58 5.12 6.02 -1.26 -5.00 117.38 126.68 3hdj n GLN 273 Ca 0.07 -0.79 -0.08 0.00 -0.01 0.00 0.00 57.00 56.20 3hdj n GLN 273 Cb 0.48 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 3hdj n GLN 273 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hdj s ALA 274 N -2.47 -1.97 0.34 -1.58 0.00 -1.26 -5.04 121.76 109.78 3hdj s ALA 274 Ca 0.22 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.75 3hdj s ALA 274 Cb 0.19 -0.50 0.61 0.00 0.00 0.00 0.00 23.12 23.41 3hdj s ALA 274 CO 0.54 -0.43 1.88 -0.44 0.00 0.00 0.00 175.76 177.31 3hdj h ASP 275 N 2.26 0.49 0.75 0.00 3.32 -1.99 -1.82 116.42 119.42 3hdj h ASP 275 Ca -0.15 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3hdj h ASP 275 Cb 1.18 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3hdj h ASP 275 CO 0.28 0.56 0.00 -1.84 -1.72 0.00 0.00 179.24 176.52 3hdj n GLU 276 N -4.28 0.16 -1.84 3.56 0.00 -1.26 -3.56 120.64 113.42 3hdj n GLU 276 Ca 0.01 0.37 -0.41 0.00 0.00 0.00 0.00 57.16 57.13 3hdj n GLU 276 Cb 0.24 -1.79 -0.01 0.00 0.00 0.00 0.00 31.44 29.88 3hdj n GLU 276 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hdj s ASP 277 N -4.01 6.43 0.01 -1.84 -0.00 -0.69 -1.03 116.67 115.55 3hdj s ASP 277 Ca 0.05 2.91 -0.18 0.00 -0.00 0.00 0.00 52.55 55.34 3hdj s ASP 277 Cb 0.10 -2.64 -0.06 0.00 -0.00 0.00 0.00 42.92 40.32 3hdj s ASP 277 CO 0.39 -0.85 0.51 -0.63 -0.00 0.00 0.00 175.17 174.58 3hdj s ILE 278 N -0.33 4.92 -0.06 0.77 1.01 -1.26 -2.95 121.20 123.29 3hdj s ILE 278 Ca 0.59 1.06 0.03 0.00 0.00 0.00 0.00 60.65 62.33 3hdj s ILE 278 Cb -0.46 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.19 3hdj s ILE 278 CO 0.51 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 175.15 3hdj s VAL 279 N -0.74 1.13 -0.13 2.92 1.01 -0.71 -0.37 120.40 123.51 3hdj s VAL 279 Ca 0.27 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3hdj s VAL 279 Cb -0.18 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3hdj s VAL 279 CO 0.16 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.95 3hdj s ILE 280 N 0.55 4.00 -0.24 2.22 1.01 -0.53 -1.33 121.20 126.86 3hdj s ILE 280 Ca -0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3hdj s ILE 280 Cb -0.15 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3hdj s ILE 280 CO 0.03 0.53 0.03 -0.47 0.00 0.00 0.00 174.94 175.06 3hdj s TYR 281 N -0.08 3.05 -0.29 3.97 5.04 0.15 0.38 117.35 129.56 3hdj s TYR 281 Ca 0.02 -0.67 -0.09 0.00 -2.44 0.00 0.00 57.07 53.89 3hdj s TYR 281 Cb -0.13 -2.19 -0.01 0.00 0.35 0.00 0.00 41.96 39.97 3hdj s TYR 281 CO 0.02 -0.45 0.13 0.21 -1.34 0.00 0.00 175.55 174.12 3hdj s LYS 282 N 1.55 3.45 -0.10 4.97 2.47 -0.28 -0.31 119.74 131.49 3hdj s LYS 282 Ca 0.06 -0.64 -0.02 0.00 -1.56 0.00 0.00 55.97 53.81 3hdj s LYS 282 Cb -0.15 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.69 3hdj s LYS 282 CO 0.01 -0.34 -0.02 0.45 0.16 0.00 0.00 175.35 175.60 3hdj s SER 283 N 1.62 4.99 0.00 1.43 0.15 -0.37 -4.19 113.70 117.32 3hdj s SER 283 Ca 0.05 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.73 3hdj s SER 283 Cb -0.16 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 3hdj s SER 283 CO 0.06 0.31 0.00 1.33 1.20 0.00 0.00 173.24 176.14 3hdj n VAL 284 N 2.56 0.00 -0.10 4.45 0.24 -1.26 -4.54 118.33 119.68 3hdj n VAL 284 Ca -0.18 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3hdj n VAL 284 Cb 0.53 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 3hdj n VAL 284 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hdj n GLY 285 N 1.51 -1.50 3.14 7.63 0.00 -1.26 -4.90 105.19 109.80 3hdj n GLY 285 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3hdj n GLY 285 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hdj s VAL 286 N -0.42 0.75 0.21 1.61 -7.23 -1.26 -4.93 120.40 109.12 3hdj s VAL 286 Ca 0.00 -1.61 0.25 0.00 -1.81 0.00 0.00 61.98 58.81 3hdj s VAL 286 Cb 0.00 -1.29 0.24 0.00 0.56 0.00 0.00 36.38 35.89 3hdj s VAL 286 CO 0.00 -0.63 1.89 1.23 -0.31 0.00 0.00 175.10 177.27 3hdj h GLY 287 N 3.57 0.00 0.07 2.32 0.00 -1.80 -1.66 103.07 105.57 3hdj h GLY 287 Ca -0.36 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.18 3hdj h GLY 287 CO 0.54 0.00 0.62 -2.00 0.00 0.00 0.00 176.54 175.70 3hdj h LEU 288 N 0.00 0.64 -0.15 3.11 5.85 -1.90 -2.40 115.31 120.47 3hdj h LEU 288 Ca -0.00 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.58 3hdj h LEU 288 Cb 0.65 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.67 3hdj h LEU 288 CO 0.03 0.20 -0.82 -0.33 -0.34 0.00 0.00 178.44 177.17 3hdj h GLU 289 N 0.60 0.77 -0.14 1.25 5.08 -1.69 -2.16 114.58 118.30 3hdj h GLU 289 Ca 0.57 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3hdj h GLU 289 Cb 1.12 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3hdj h GLU 289 CO -0.34 1.26 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.46 3hdj h ASP 290 N 0.51 0.26 -0.25 1.42 3.32 -1.53 -1.61 116.42 118.55 3hdj h ASP 290 Ca -0.06 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 3hdj h ASP 290 Cb 1.45 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 3hdj h ASP 290 CO 0.17 0.55 0.01 0.58 -1.72 0.00 0.00 179.24 178.83 3hdj h VAL 291 N -0.04 1.25 -0.37 -1.35 2.07 -1.48 -0.10 116.25 116.22 3hdj h VAL 291 Ca 0.04 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3hdj h VAL 291 Cb 0.43 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3hdj h VAL 291 CO 0.01 0.27 0.17 0.00 0.02 0.00 0.00 177.57 178.04 3hdj h ALA 292 N 0.82 0.48 -0.22 1.67 0.00 -1.36 0.69 119.26 121.35 3hdj h ALA 292 Ca 0.07 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3hdj h ALA 292 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hdj h ALA 292 CO 0.01 0.06 -0.53 -0.07 0.00 0.00 0.00 179.25 178.72 3hdj h LEU 293 N 0.46 0.71 -0.96 0.00 3.38 -1.20 -1.66 115.31 116.04 3hdj h LEU 293 Ca 0.13 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3hdj h LEU 293 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hdj h LEU 293 CO -0.01 1.11 0.14 0.00 0.09 0.00 0.00 178.44 179.77 3hdj h ALA 294 N 0.91 1.15 -0.51 1.53 0.00 -0.75 -1.13 119.26 120.47 3hdj h ALA 294 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3hdj h ALA 294 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hdj h ALA 294 CO 0.11 0.57 -0.17 0.78 0.00 0.00 0.00 179.25 180.54 3hdj h GLY 295 N 1.00 1.11 0.98 0.00 0.00 -0.61 0.54 103.07 106.09 3hdj h GLY 295 Ca 0.19 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.58 3hdj h GLY 295 CO -0.00 0.86 0.15 -1.82 0.00 0.00 0.00 176.54 175.74 3hdj h TYR 296 N 0.89 0.29 -0.29 5.60 3.20 -1.02 -0.71 116.97 124.94 3hdj h TYR 296 Ca 0.12 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3hdj h TYR 296 Cb 0.75 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3hdj h TYR 296 CO 0.05 0.18 0.11 0.00 -1.64 0.00 0.00 178.16 176.86 3hdj h ALA 297 N 1.10 0.38 -0.39 1.82 0.00 -0.99 -0.99 119.26 120.18 3hdj h ALA 297 Ca 0.09 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hdj h ALA 297 Cb -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3hdj h ALA 297 CO -0.03 -0.02 0.08 -0.92 0.00 0.00 0.00 179.25 178.36 3hdj h TYR 298 N 0.32 0.14 -0.73 0.00 3.20 -0.76 0.16 116.97 119.29 3hdj h TYR 298 Ca 0.10 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3hdj h TYR 298 Cb 0.19 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3hdj h TYR 298 CO -0.01 0.02 0.23 0.00 -1.64 0.00 0.00 178.16 176.77 3hdj h ARG 299 N 0.21 1.14 -0.24 1.82 3.08 -0.78 0.18 114.38 119.80 3hdj h ARG 299 Ca 0.19 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3hdj h ARG 299 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hdj h ARG 299 CO -0.24 0.97 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.49 3hdj h ARG 300 N 1.09 0.46 -0.21 0.04 2.43 -0.84 -1.71 114.38 115.64 3hdj h ARG 300 Ca 0.24 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 3hdj h ARG 300 Cb 0.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hdj h ARG 300 CO -0.01 0.69 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.60 3hdj h LEU 301 N 0.20 0.58 -0.89 3.80 3.38 -0.83 -2.51 115.31 119.04 3hdj h LEU 301 Ca 0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3hdj h LEU 301 Cb 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3hdj h LEU 301 CO 0.02 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.70 3hdj h ALA 302 N 1.06 1.10 -0.64 1.53 0.00 -0.55 0.21 119.26 121.97 3hdj h ALA 302 Ca 0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3hdj h ALA 302 Cb 0.98 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3hdj h ALA 302 CO 0.09 0.61 0.11 0.00 0.00 0.00 0.00 179.25 180.06 3hdj h ALA 303 N 1.23 0.85 -0.34 0.00 0.00 -1.15 -1.48 119.26 118.37 3hdj h ALA 303 Ca 0.21 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3hdj h ALA 303 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hdj h ALA 303 CO -0.01 0.60 -0.39 1.96 0.00 0.00 0.00 179.25 181.42 3hdj h GLN 304 N 0.97 0.81 -0.09 0.00 4.20 -0.95 -3.36 115.11 116.68 3hdj h GLN 304 Ca 0.19 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3hdj h GLN 304 Cb 0.43 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3hdj h GLN 304 CO 0.01 1.05 0.00 0.54 -0.67 0.00 0.00 178.83 179.76 3hdj n ARG 305 N -4.05 1.35 -0.93 1.46 1.74 0.68 -4.98 116.66 111.94 3hdj n ARG 305 Ca -0.02 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.54 3hdj n ARG 305 Cb 0.53 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3hdj n ARG 305 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hdj n GLY 306 N 0.84 0.43 3.81 -0.13 0.00 -0.62 -5.03 105.19 104.48 3hdj n GLY 306 Ca 0.10 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 3hdj n GLY 306 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hdj s TRP 307 N -2.00 2.98 0.55 1.61 0.51 -0.82 -4.98 118.94 116.79 3hdj s TRP 307 Ca 0.00 1.39 -0.20 0.00 -2.12 0.00 0.00 56.10 55.17 3hdj s TRP 307 Cb 0.00 -2.95 -0.05 0.00 -0.81 0.00 0.00 33.47 29.67 3hdj s TRP 307 CO 0.00 -1.42 1.23 -2.14 -0.51 0.00 0.00 176.95 174.11 3hdj s PRO 308 N -5.04 3.18 0.56 4.98 0.02 -1.26 -4.76 135.00 132.68 3hdj s PRO 308 Ca 0.59 1.90 -0.20 0.00 0.02 0.00 0.00 61.00 63.31 3hdj s PRO 308 Cb -0.15 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 3hdj s PRO 308 CO 0.55 -1.06 1.26 0.00 -0.33 0.00 0.00 177.00 177.42 3hdj s ALA 309 N -1.52 2.69 -2.00 -1.55 0.00 -1.26 -4.98 121.76 113.14 3hdj s ALA 309 Ca 0.73 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.87 3hdj s ALA 309 Cb -0.32 -3.49 0.25 0.00 0.00 0.00 0.00 23.12 19.56 3hdj s ALA 309 CO 0.36 -1.19 0.73 -2.30 0.00 0.00 0.00 175.76 173.36