#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcy n ALA 2 N 0.00 3.10 -3.37 2.12 0.00 -1.23 -4.77 120.51 116.36 1hcy n ALA 2 Ca 0.00 -3.03 -0.16 0.00 0.00 0.00 0.00 53.44 50.25 1hcy n ALA 2 Cb 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 19.45 19.17 1hcy n ALA 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hcy n LEU 3 N -1.23 -4.42 0.00 0.00 7.94 -1.26 -4.76 117.00 113.27 1hcy n LEU 3 Ca 0.18 -0.64 0.00 0.00 -1.11 0.00 0.00 56.01 54.44 1hcy n LEU 3 Cb 0.67 -3.13 0.00 0.00 0.53 0.00 0.00 43.42 41.50 1hcy n LEU 3 CO -0.02 0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 1hcy n GLY 4 N -1.15 -0.44 0.00 -3.96 0.00 -1.26 -4.99 105.19 93.39 1hcy n GLY 4 Ca -0.23 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1hcy n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hcy n THR 5 N 2.36 0.00 0.00 2.61 -1.04 -1.26 -4.25 114.28 112.71 1hcy n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1hcy n THR 5 Cb 0.00 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1hcy n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hcy n GLY 6 N 1.52 0.68 0.00 3.41 0.00 -1.26 -3.51 105.19 106.03 1hcy n GLY 6 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1hcy n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hcy n ASN 7 N 0.00 0.00 -0.41 1.61 0.23 -1.26 -4.74 115.26 110.68 1hcy n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1hcy n ASN 7 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1hcy n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hcy n ALA 8 N 0.00 1.34 0.03 -2.53 0.00 -1.26 0.13 120.51 118.22 1hcy n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hcy n ALA 8 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1hcy n ALA 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hcy n GLN 9 N 0.25 0.00 -0.23 0.00 1.13 -1.26 -3.65 117.38 113.62 1hcy n GLN 9 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 1hcy n GLN 9 Cb 0.04 -0.26 0.00 0.00 0.11 0.00 0.00 30.24 30.13 1hcy n GLN 9 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1hcy h LYS 10 N 0.00 -0.15 -0.13 -1.09 1.57 -1.41 0.85 116.57 116.23 1hcy h LYS 10 Ca 0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1hcy h LYS 10 Cb 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1hcy h LYS 10 CO 0.00 -0.10 -0.25 0.37 -0.57 0.00 0.00 179.45 178.90 1hcy h GLN 11 N -0.15 -0.31 -0.02 3.15 5.75 0.85 -1.27 115.11 123.11 1hcy h GLN 11 Ca 0.24 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.79 1hcy h GLN 11 Cb 0.56 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 1hcy h GLN 11 CO -0.72 -0.21 -0.29 0.37 -2.65 0.00 0.00 178.83 175.33 1hcy h GLN 12 N -0.32 -0.41 -0.92 1.69 4.15 -0.15 -1.00 115.11 118.14 1hcy h GLN 12 Ca 0.10 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.70 1hcy h GLN 12 Cb 0.47 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 28.10 1hcy h GLN 12 CO -0.31 -0.28 -0.36 -0.44 -1.93 0.00 0.00 178.83 175.52 1hcy h ASP 13 N -0.43 -1.30 0.40 -0.69 3.32 0.14 0.88 116.42 118.74 1hcy h ASP 13 Ca 0.07 0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1hcy h ASP 13 Cb 0.53 0.70 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1hcy h ASP 13 CO -0.26 -0.30 -0.40 0.40 -1.72 0.00 0.00 179.24 176.96 1hcy h ILE 14 N -0.03 0.20 -0.71 0.35 5.03 -0.51 -1.71 117.51 120.13 1hcy h ILE 14 Ca 0.35 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.24 1hcy h ILE 14 Cb 0.61 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 34.55 1hcy h ILE 14 CO -0.94 0.00 0.48 0.78 -0.68 0.00 0.00 178.15 177.79 1hcy h ASN 15 N -0.82 0.28 -0.52 1.72 2.35 0.37 0.46 115.58 119.43 1hcy h ASN 15 Ca -0.03 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1hcy h ASN 15 Cb 0.73 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1hcy h ASN 15 CO -0.06 0.14 -0.06 0.45 -1.65 0.00 0.00 177.43 176.25 1hcy h HIS 16 N 0.29 1.05 0.28 1.19 3.86 -0.14 -2.38 115.15 119.31 1hcy h HIS 16 Ca 0.35 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1hcy h HIS 16 Cb 0.94 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1hcy h HIS 16 CO -0.00 0.98 -0.14 -0.07 0.86 0.00 0.00 177.93 179.57 1hcy h LEU 17 N 0.82 -0.32 -3.38 2.43 3.38 -0.35 -2.59 115.31 115.30 1hcy h LEU 17 Ca 0.14 -0.08 -0.36 0.00 0.09 0.00 0.00 57.88 57.67 1hcy h LEU 17 Cb 0.60 0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.24 1hcy h LEU 17 CO 0.04 -0.12 0.46 0.18 0.09 0.00 0.00 178.44 179.09 1hcy n LEU 18 N -5.20 5.76 0.00 1.67 4.77 -0.03 -4.92 117.00 119.05 1hcy n LEU 18 Ca -0.10 -3.04 -0.12 0.00 -0.03 0.00 0.00 56.01 52.72 1hcy n LEU 18 Cb 0.21 -0.79 0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1hcy n LEU 18 CO 0.34 0.96 0.35 -0.67 -1.33 0.00 0.00 177.39 177.04 1hcy n ASP 19 N -0.47 0.02 0.00 -1.43 2.03 -0.90 -4.67 116.55 111.14 1hcy n ASP 19 Ca 0.40 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1hcy n ASP 19 Cb 1.12 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1hcy n ASP 19 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1hcy n LYS 20 N -2.14 0.00 0.00 -0.67 5.02 -1.26 -4.72 118.16 114.40 1hcy n LYS 20 Ca 0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1hcy n LYS 20 Cb 0.23 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.27 1hcy n LYS 20 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1hcy n ILE 21 N 0.00 0.01 -0.20 -0.18 0.13 -1.26 -3.85 119.36 114.01 1hcy n ILE 21 Ca 0.00 -0.02 0.06 0.00 -1.10 0.00 0.00 62.75 61.69 1hcy n ILE 21 Cb 0.00 0.65 0.28 0.00 -0.84 0.00 0.00 39.64 39.73 1hcy n ILE 21 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 1hcy n TYR 22 N -1.54 1.32 -3.70 9.51 4.01 -1.26 -4.86 117.16 120.65 1hcy n TYR 22 Ca 0.04 -0.48 -0.13 0.00 -0.16 0.00 0.00 57.90 57.17 1hcy n TYR 22 Cb 0.34 -0.32 -0.09 0.00 -0.31 0.00 0.00 39.34 38.96 1hcy n TYR 22 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1hcy s GLU 23 N -2.06 0.59 0.12 -0.72 2.02 -1.25 -5.03 118.70 112.37 1hcy s GLU 23 Ca 0.38 0.74 -0.21 0.00 0.02 0.00 0.00 54.97 55.89 1hcy s GLU 23 Cb 0.27 0.27 -0.12 0.00 0.10 0.00 0.00 34.13 34.64 1hcy s GLU 23 CO 0.14 -0.08 0.43 -0.35 0.02 0.00 0.00 175.26 175.42 1hcy n PRO 24 N 2.95 0.00 -2.39 0.39 -0.04 -1.26 -4.75 135.00 129.90 1hcy n PRO 24 Ca -0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 1hcy n PRO 24 Cb 0.56 -0.77 -0.02 0.00 -0.04 0.00 0.00 33.50 33.24 1hcy n PRO 24 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1hcy s THR 25 N -0.60 3.44 -2.08 0.52 -4.23 -1.26 -4.94 115.64 106.47 1hcy s THR 25 Ca 0.49 0.93 0.25 0.00 -1.18 0.00 0.00 61.69 62.18 1hcy s THR 25 Cb -0.70 -3.39 0.22 0.00 1.34 0.00 0.00 72.50 69.97 1hcy s THR 25 CO 0.40 -0.16 1.42 0.29 -0.54 0.00 0.00 174.62 176.04 1hcy n LYS 26 N -0.99 1.23 -3.29 3.99 5.02 -1.26 -4.74 118.16 118.12 1hcy n LYS 26 Ca 0.10 -0.86 -0.44 0.00 -2.02 0.00 0.00 58.31 55.08 1hcy n LYS 26 Cb 0.51 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1hcy n LYS 26 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hcy s TYR 27 N -2.36 3.17 0.32 2.13 1.51 -1.26 -4.95 117.35 115.91 1hcy s TYR 27 Ca 0.25 -0.85 0.16 0.00 -1.01 0.00 0.00 57.07 55.62 1hcy s TYR 27 Cb 0.19 -3.41 1.13 0.00 -0.11 0.00 0.00 41.96 39.76 1hcy s TYR 27 CO 0.48 -0.93 1.42 -0.35 -1.11 0.00 0.00 175.55 175.07 1hcy n PRO 28 N 5.59 -0.06 -0.04 -1.71 -0.04 -1.26 -0.43 135.00 137.05 1hcy n PRO 28 Ca -0.11 1.26 -0.12 0.00 -0.04 0.00 0.00 63.50 64.50 1hcy n PRO 28 Cb 0.44 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 1hcy n PRO 28 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1hcy h ASP 29 N 0.00 0.22 -0.81 3.54 2.03 -1.98 0.22 116.42 119.64 1hcy h ASP 29 Ca 0.73 -0.24 0.15 0.00 -0.73 0.00 0.00 57.03 56.93 1hcy h ASP 29 Cb 1.87 -0.06 -0.10 0.00 -0.83 0.00 0.00 39.33 40.22 1hcy h ASP 29 CO -0.72 0.40 0.38 -0.07 -1.03 0.00 0.00 179.24 178.20 1hcy h LEU 30 N 0.02 0.41 0.03 0.15 3.38 -1.15 0.49 115.31 118.65 1hcy h LEU 30 Ca 0.04 0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.85 1hcy h LEU 30 Cb 0.27 0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.09 1hcy h LEU 30 CO 0.00 0.16 -1.06 0.07 0.09 0.00 0.00 178.44 177.71 1hcy h LYS 31 N 0.54 0.66 0.00 1.13 2.10 -0.50 -0.75 116.57 119.74 1hcy h LYS 31 Ca 0.44 -0.75 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1hcy h LYS 31 Cb 0.66 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1hcy h LYS 31 CO -0.38 1.32 0.00 0.38 -2.00 0.00 0.00 179.45 178.77 1hcy h ASP 32 N 0.31 0.00 -0.15 7.07 2.03 -0.27 -0.13 116.42 125.28 1hcy h ASP 32 Ca -0.14 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.14 1hcy h ASP 32 Cb 1.72 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.22 1hcy h ASP 32 CO 0.21 0.00 0.01 0.40 -1.03 0.00 0.00 179.24 178.83 1hcy h ILE 33 N 0.00 1.24 -1.18 4.15 2.04 -0.66 0.76 117.51 123.86 1hcy h ILE 33 Ca 0.00 -0.77 0.34 0.00 1.00 0.00 0.00 64.86 65.43 1hcy h ILE 33 Cb 0.38 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1hcy h ILE 33 CO 0.00 0.23 0.83 0.00 0.00 0.00 0.00 178.15 179.21 1hcy h ALA 34 N 0.79 2.96 0.00 1.87 0.00 0.47 0.81 119.26 126.15 1hcy h ALA 34 Ca 0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.53 1hcy h ALA 34 Cb 0.33 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1hcy h ALA 34 CO 0.01 -1.32 -2.35 0.39 0.00 0.00 0.00 179.25 175.97 1hcy n GLU 35 N -4.27 0.58 0.03 0.00 1.02 -0.49 -4.70 120.64 112.81 1hcy n GLU 35 Ca 0.26 0.25 -0.06 0.00 -0.02 0.00 0.00 57.16 57.59 1hcy n GLU 35 Cb 1.20 -1.48 0.12 0.00 -0.02 0.00 0.00 31.44 31.26 1hcy n GLU 35 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1hcy h ASN 36 N -1.00 0.48 -4.18 1.62 2.35 0.90 -3.46 115.58 112.28 1hcy h ASN 36 Ca -0.62 -0.23 -0.52 0.00 -0.55 0.00 0.00 56.30 54.39 1hcy h ASN 36 Cb 1.54 -0.13 0.12 0.00 0.05 0.00 0.00 38.32 39.89 1hcy h ASN 36 CO -0.37 0.87 0.38 0.12 -1.65 0.00 0.00 177.43 176.78 1hcy s PHE 37 N -4.10 2.40 -0.25 1.19 2.19 0.24 -5.05 117.98 114.60 1hcy s PHE 37 Ca -0.06 1.57 -0.03 0.00 0.33 0.00 0.00 56.93 58.74 1hcy s PHE 37 Cb 0.12 -3.29 0.11 0.00 -1.31 0.00 0.00 43.02 38.65 1hcy s PHE 37 CO 0.81 -2.04 0.22 1.21 1.83 0.00 0.00 175.22 177.26 1hcy s ASN 38 N -2.33 1.96 0.00 6.13 3.84 -1.26 -4.98 114.94 118.30 1hcy s ASN 38 Ca 0.70 -0.64 0.06 0.00 0.21 0.00 0.00 52.86 53.19 1hcy s ASN 38 Cb -0.24 0.25 0.34 0.00 -0.55 0.00 0.00 41.25 41.05 1hcy s ASN 38 CO 0.42 -0.37 0.94 -2.65 -2.79 0.00 0.00 177.10 172.64 1hcy n PRO 39 N 5.30 0.14 -0.53 0.43 -0.02 -1.26 -1.61 135.00 137.44 1hcy n PRO 39 Ca -0.04 0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1hcy n PRO 39 Cb 0.47 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 1hcy n PRO 39 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1hcy n LEU 40 N -1.14 3.55 -0.38 2.45 7.94 -1.26 -4.78 117.00 123.39 1hcy n LEU 40 Ca 0.04 -3.43 0.08 0.00 -1.11 0.00 0.00 56.01 51.58 1hcy n LEU 40 Cb 0.03 -0.56 0.18 0.00 0.53 0.00 0.00 43.42 43.61 1hcy n LEU 40 CO 0.04 0.99 0.47 0.61 -1.11 0.00 0.00 177.39 178.40 1hcy n GLY 41 N -1.00 5.00 0.00 -3.96 0.00 -0.64 -4.75 105.19 99.85 1hcy n GLY 41 Ca 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1hcy n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hcy n ASP 42 N -1.26 0.00 -4.56 1.61 2.03 -1.26 -5.05 116.55 108.06 1hcy n ASP 42 Ca 0.18 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.19 1hcy n ASP 42 Cb 0.68 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.04 1hcy n ASP 42 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1hcy s THR 43 N 0.00 3.34 0.00 5.18 2.01 -1.26 -2.48 115.64 122.42 1hcy s THR 43 Ca 0.00 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1hcy s THR 43 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1hcy s THR 43 CO 0.00 -0.77 0.00 -0.24 -0.69 0.00 0.00 174.62 172.92 1hcy n SER 44 N 14.19 0.00 0.19 3.53 2.88 -1.26 -4.80 113.62 128.36 1hcy n SER 44 Ca 0.34 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.93 1hcy n SER 44 Cb 0.49 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.31 1hcy n SER 44 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1hcy h ILE 45 N 0.00 0.94 -3.26 2.46 3.07 -1.85 -3.43 117.51 115.44 1hcy h ILE 45 Ca 0.00 -1.45 -0.56 0.00 1.55 0.00 0.00 64.86 64.40 1hcy h ILE 45 Cb 0.00 1.86 -0.05 0.00 -0.27 0.00 0.00 36.82 38.37 1hcy h ILE 45 CO 0.00 0.36 0.52 -0.31 -1.05 0.00 0.00 178.15 177.68 1hcy s TYR 46 N -3.73 3.48 -2.00 0.16 2.02 -1.25 0.12 117.35 116.16 1hcy s TYR 46 Ca -0.01 1.49 0.13 0.00 -0.37 0.00 0.00 57.07 58.31 1hcy s TYR 46 Cb 0.12 -3.14 0.76 0.00 -0.40 0.00 0.00 41.96 39.30 1hcy s TYR 46 CO 0.69 -0.24 1.44 0.09 -1.57 0.00 0.00 175.55 175.96 1hcy n ASN 47 N 5.11 0.00 -0.35 2.29 3.02 -0.23 -2.64 115.26 122.47 1hcy n ASN 47 Ca 0.08 -1.49 0.07 0.00 -0.03 0.00 0.00 54.58 53.21 1hcy n ASN 47 Cb 0.49 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1hcy n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1hcy n ASP 48 N -0.71 1.58 -0.66 6.41 5.75 -1.26 -4.85 116.55 122.80 1hcy n ASP 48 Ca 0.10 -1.29 -0.08 0.00 -0.01 0.00 0.00 54.79 53.51 1hcy n ASP 48 Cb 0.04 0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1hcy n ASP 48 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1hcy n HIS 49 N -0.00 -0.07 -3.88 2.11 8.25 -1.08 -3.78 115.22 116.76 1hcy n HIS 49 Ca 0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 1hcy n HIS 49 Cb 0.30 -1.72 0.02 0.00 1.12 0.00 0.00 29.99 29.71 1hcy n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hcy n GLY 50 N -1.83 -0.42 0.15 -1.41 0.00 -1.26 -4.89 105.19 95.52 1hcy n GLY 50 Ca -0.08 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1hcy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcy h ALA 51 N 0.93 0.90 0.26 4.61 0.00 -1.96 1.65 119.26 125.65 1hcy h ALA 51 Ca -0.59 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 1hcy h ALA 51 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1hcy h ALA 51 CO 0.65 0.75 -0.12 0.00 0.00 0.00 0.00 179.25 180.53 1hcy h ALA 52 N 1.27 -0.35 -0.64 0.00 0.00 -1.89 -1.87 119.26 115.79 1hcy h ALA 52 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1hcy h ALA 52 Cb 1.11 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1hcy h ALA 52 CO 0.09 -0.38 0.23 0.28 0.00 0.00 0.00 179.25 179.47 1hcy h VAL 53 N -0.98 0.72 0.00 0.00 2.07 -1.80 1.31 116.25 117.57 1hcy h VAL 53 Ca -0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1hcy h VAL 53 Cb 0.46 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1hcy h VAL 53 CO 0.06 0.07 0.03 -0.62 0.02 0.00 0.00 177.57 177.13 1hcy n GLU 54 N -5.02 0.00 -0.01 1.57 1.02 0.56 -1.06 120.64 117.70 1hcy n GLU 54 Ca 0.10 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.80 1hcy n GLU 54 Cb 0.31 -1.53 -0.16 0.00 -0.02 0.00 0.00 31.44 30.04 1hcy n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1hcy n THR 55 N -1.45 0.02 -0.03 2.62 -1.04 0.45 -3.13 114.28 111.72 1hcy n THR 55 Ca 0.00 -0.49 -0.18 0.00 -2.04 0.00 0.00 64.05 61.34 1hcy n THR 55 Cb 0.03 0.02 -0.13 0.00 -1.82 0.00 0.00 70.33 68.43 1hcy n THR 55 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1hcy h LEU 56 N 0.00 0.20 -0.69 -4.42 5.85 -1.13 -2.93 115.31 112.19 1hcy h LEU 56 Ca 0.00 -0.90 0.09 0.00 0.84 0.00 0.00 57.88 57.91 1hcy h LEU 56 Cb 0.98 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1hcy h LEU 56 CO 0.00 1.28 0.34 0.24 -0.34 0.00 0.00 178.44 179.96 1hcy h MET 57 N -0.70 0.57 -0.98 1.25 2.86 -1.23 0.39 114.93 117.10 1hcy h MET 57 Ca -0.14 -0.03 0.26 0.00 -2.06 0.00 0.00 59.70 57.73 1hcy h MET 57 Cb 1.36 -0.13 -0.13 0.00 0.06 0.00 0.00 31.60 32.76 1hcy h MET 57 CO 0.03 0.38 0.53 -0.22 1.06 0.00 0.00 176.91 178.69 1hcy h LYS 58 N 0.59 0.45 0.24 1.72 3.64 -1.53 0.59 116.57 122.28 1hcy h LYS 58 Ca 0.33 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.37 1hcy h LYS 58 Cb 0.34 -0.10 0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1hcy h LYS 58 CO -0.26 0.30 -1.42 0.93 -2.27 0.00 0.00 179.45 176.74 1hcy h GLU 59 N 0.47 0.51 0.00 1.90 4.39 -0.16 -2.38 114.58 119.31 1hcy h GLU 59 Ca 0.65 -0.87 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1hcy h GLU 59 Cb 1.30 0.32 -0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1hcy h GLU 59 CO -0.53 1.42 -0.06 1.25 -1.16 0.00 0.00 179.01 179.93 1hcy h LEU 60 N 0.08 0.00 0.34 1.33 5.85 0.19 -1.28 115.31 121.82 1hcy h LEU 60 Ca -0.25 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1hcy h LEU 60 Cb 2.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1hcy h LEU 60 CO 0.26 0.06 -0.16 0.78 -0.34 0.00 0.00 178.44 179.04 1hcy h ASN 61 N 0.00 -0.39 0.10 1.25 2.35 -0.04 -3.02 115.58 115.84 1hcy h ASN 61 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1hcy h ASN 61 Cb 0.19 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1hcy h ASN 61 CO 0.01 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.26 1hcy n ASP 62 N -4.78 0.00 -2.91 5.81 9.92 -0.90 -4.80 116.55 118.89 1hcy n ASP 62 Ca -0.06 -0.21 -0.30 0.00 -0.53 0.00 0.00 54.79 53.70 1hcy n ASP 62 Cb 0.18 -0.12 0.03 0.00 -0.64 0.00 0.00 41.12 40.57 1hcy n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hcy n HIS 63 N -1.12 -2.02 -1.02 1.24 1.44 -0.52 -4.90 115.22 108.31 1hcy n HIS 63 Ca 0.09 0.85 0.01 0.00 -2.01 0.00 0.00 57.72 56.66 1hcy n HIS 63 Cb 0.07 -1.32 0.02 0.00 0.12 0.00 0.00 29.99 28.88 1hcy n HIS 63 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1hcy n ARG 64 N -0.16 0.80 -3.24 -1.40 1.85 -0.96 -5.05 116.66 108.50 1hcy n ARG 64 Ca -0.07 -1.07 -0.29 0.00 -1.00 0.00 0.00 57.85 55.41 1hcy n ARG 64 Cb 0.52 -0.73 -0.03 0.00 -1.05 0.00 0.00 32.46 31.17 1hcy n ARG 64 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1hcy s LEU 65 N -0.55 4.02 0.56 2.89 2.96 -1.26 -5.02 118.68 122.28 1hcy s LEU 65 Ca 0.04 0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 54.55 1hcy s LEU 65 Cb 0.03 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1hcy s LEU 65 CO 0.00 -0.23 1.25 -0.11 -1.32 0.00 0.00 176.35 175.94 1hcy n LEU 66 N -0.97 5.06 -4.73 -0.68 0.00 -1.26 -4.99 117.00 109.43 1hcy n LEU 66 Ca -0.01 0.93 -0.29 0.00 0.00 0.00 0.00 56.01 56.64 1hcy n LEU 66 Cb 0.54 -1.52 0.14 0.00 0.00 0.00 0.00 43.42 42.57 1hcy n LEU 66 CO 0.48 -0.94 0.68 -1.61 0.00 0.00 0.00 177.39 175.99 1hcy s GLU 67 N -2.87 1.22 0.75 1.96 2.02 -1.26 -3.99 118.70 116.52 1hcy s GLU 67 Ca 0.74 0.64 -0.10 0.00 0.02 0.00 0.00 54.97 56.27 1hcy s GLU 67 Cb -0.42 -1.82 0.05 0.00 0.10 0.00 0.00 34.13 32.04 1hcy s GLU 67 CO 0.48 -2.22 1.11 -0.65 0.02 0.00 0.00 175.26 173.99 1hcy s GLN 68 N -5.03 2.32 -1.03 1.61 -0.21 -1.26 -4.21 119.66 111.85 1hcy s GLN 68 Ca 0.63 0.14 -0.15 0.00 0.02 0.00 0.00 55.36 56.00 1hcy s GLN 68 Cb -0.17 -2.03 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 1hcy s GLN 68 CO 0.56 -1.32 0.74 0.54 -2.12 0.00 0.00 175.29 173.69 1hcy n ARG 69 N -3.11 -1.21 -3.89 2.91 1.74 -1.26 -5.00 116.66 106.84 1hcy n ARG 69 Ca 0.07 0.64 -0.08 0.00 -0.77 0.00 0.00 57.85 57.70 1hcy n ARG 69 Cb 0.60 -3.88 -0.04 0.00 -1.02 0.00 0.00 32.46 28.11 1hcy n ARG 69 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1hcy s HIS 70 N -3.31 0.06 0.78 -1.55 2.46 -1.26 -4.94 115.29 107.52 1hcy s HIS 70 Ca 0.32 -0.45 -0.02 0.00 0.47 0.00 0.00 55.06 55.38 1hcy s HIS 70 Cb -0.12 0.42 0.16 0.00 -0.13 0.00 0.00 32.58 32.90 1hcy s HIS 70 CO 0.86 -1.06 1.06 -2.67 -2.47 0.00 0.00 174.74 170.46 1hcy n TRP 71 N -0.40 -3.06 -3.67 3.88 4.27 -1.26 -4.85 117.44 112.35 1hcy n TRP 71 Ca -0.04 -1.72 -0.09 0.00 -3.89 0.00 0.00 57.50 51.75 1hcy n TRP 71 Cb 0.61 -0.78 -0.09 0.00 -1.36 0.00 0.00 31.31 29.68 1hcy n TRP 71 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1hcy s TYR 72 N -3.27 -0.80 0.23 -2.67 6.14 -1.26 -5.01 117.35 110.71 1hcy s TYR 72 Ca 0.69 1.64 0.10 0.00 0.64 0.00 0.00 57.07 60.13 1hcy s TYR 72 Cb -0.04 0.42 -0.04 0.00 0.42 0.00 0.00 41.96 42.72 1hcy s TYR 72 CO 0.46 -0.42 -0.07 -1.54 0.64 0.00 0.00 175.55 174.61 1hcy s SER 73 N 1.53 4.27 0.00 4.32 1.04 -1.26 -5.00 113.70 118.59 1hcy s SER 73 Ca -0.10 -0.67 0.27 0.00 0.48 0.00 0.00 55.95 55.93 1hcy s SER 73 Cb -0.07 -0.71 0.84 0.00 0.10 0.00 0.00 66.02 66.18 1hcy s SER 73 CO -0.16 0.05 1.62 -0.11 0.98 0.00 0.00 173.24 175.62 1hcy n LEU 74 N -0.43 0.95 0.02 2.42 7.94 -1.26 -2.68 117.00 123.95 1hcy n LEU 74 Ca -0.08 -0.23 0.12 0.00 -1.11 0.00 0.00 56.01 54.71 1hcy n LEU 74 Cb 0.58 -0.13 0.23 0.00 0.53 0.00 0.00 43.42 44.62 1hcy n LEU 74 CO 0.38 0.18 0.41 0.49 -1.11 0.00 0.00 177.39 177.74 1hcy n PHE 75 N -0.67 0.14 -2.10 1.96 3.01 -1.26 -4.76 117.46 113.77 1hcy n PHE 75 Ca 0.13 0.04 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 1hcy n PHE 75 Cb 0.34 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 1hcy n PHE 75 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1hcy s ASN 76 N -3.33 5.93 0.50 4.37 2.47 -1.09 -4.93 114.94 118.85 1hcy s ASN 76 Ca 0.10 1.02 0.23 0.00 0.42 0.00 0.00 52.86 54.63 1hcy s ASN 76 Cb 0.16 -2.53 1.25 0.00 -1.45 0.00 0.00 41.25 38.68 1hcy s ASN 76 CO 0.71 -1.73 1.66 0.71 -3.72 0.00 0.00 177.10 174.73 1hcy h THR 77 N 6.72 0.00 0.05 -5.21 1.35 -1.93 0.11 112.91 114.01 1hcy h THR 77 Ca -0.31 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.21 1hcy h THR 77 Cb 1.15 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 1hcy h THR 77 CO 1.07 0.00 -1.89 -1.14 -0.25 0.00 0.00 175.52 173.31 1hcy n ARG 78 N -2.51 0.66 -0.25 4.72 0.63 -1.26 -3.09 116.66 115.56 1hcy n ARG 78 Ca -0.02 0.35 0.21 0.00 -0.92 0.00 0.00 57.85 57.48 1hcy n ARG 78 Cb 0.32 -1.67 0.54 0.00 0.45 0.00 0.00 32.46 32.11 1hcy n ARG 78 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1hcy h GLN 79 N -0.43 0.34 0.18 -0.14 4.20 -1.41 0.55 115.11 118.39 1hcy h GLN 79 Ca -0.46 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 1hcy h GLN 79 Cb 1.72 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1hcy h GLN 79 CO -0.10 0.22 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.10 1hcy h ARG 80 N 0.35 -0.23 -0.79 1.46 2.43 -0.99 0.18 114.38 116.78 1hcy h ARG 80 Ca 0.49 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.83 1hcy h ARG 80 Cb 1.31 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.81 1hcy h ARG 80 CO -0.17 0.16 0.33 0.87 -1.51 0.00 0.00 179.97 179.64 1hcy h LYS 81 N -0.70 0.44 -0.31 0.20 1.57 -0.03 0.58 116.57 118.33 1hcy h LYS 81 Ca -0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1hcy h LYS 81 Cb 0.49 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1hcy h LYS 81 CO 0.04 0.29 0.04 0.93 -0.57 0.00 0.00 179.45 180.18 1hcy h GLU 82 N 0.45 0.52 -0.77 3.15 5.08 -0.18 -1.66 114.58 121.17 1hcy h GLU 82 Ca 0.44 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1hcy h GLU 82 Cb 0.70 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1hcy h GLU 82 CO -0.42 0.62 0.44 0.00 -1.00 0.00 0.00 179.01 178.65 1hcy h ALA 83 N 0.87 1.31 0.00 3.43 0.00 0.13 0.42 119.26 125.43 1hcy h ALA 83 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hcy h ALA 83 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hcy h ALA 83 CO 0.01 0.57 0.00 -0.11 0.00 0.00 0.00 179.25 179.72 1hcy n LEU 84 N -4.36 0.00 0.06 0.00 7.94 0.18 -1.95 117.00 118.87 1hcy n LEU 84 Ca 0.08 0.09 -0.13 0.00 -1.11 0.00 0.00 56.01 54.94 1hcy n LEU 84 Cb 0.09 -0.09 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1hcy n LEU 84 CO 0.38 -0.00 -0.15 0.00 -1.11 0.00 0.00 177.39 176.51 1hcy h MET 85 N 0.00 0.16 -0.72 1.96 -0.00 0.80 -3.05 114.93 114.08 1hcy h MET 85 Ca 0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 59.70 59.41 1hcy h MET 85 Cb 0.09 0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 31.76 1hcy h MET 85 CO 0.00 1.05 0.39 1.25 -0.00 0.00 0.00 176.91 179.59 1hcy h LEU 86 N 0.04 0.89 -0.16 -0.10 6.46 -1.30 -0.51 115.31 120.63 1hcy h LEU 86 Ca -0.15 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1hcy h LEU 86 Cb 1.94 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.62 1hcy h LEU 86 CO 0.16 0.72 0.06 0.15 -0.62 0.00 0.00 178.44 178.90 1hcy h PHE 87 N 1.00 0.10 0.00 1.25 3.57 -1.57 -1.02 116.94 120.28 1hcy h PHE 87 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1hcy h PHE 87 Cb 0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1hcy h PHE 87 CO 0.01 0.05 0.00 0.00 -2.23 0.00 0.00 178.31 176.14 1hcy n ALA 88 N -2.21 1.28 -0.49 2.41 0.00 -0.21 -0.07 120.51 121.22 1hcy n ALA 88 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1hcy n ALA 88 Cb 0.06 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1hcy n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hcy n VAL 89 N -1.46 0.00 -0.28 0.00 0.31 -0.43 -3.50 118.33 112.96 1hcy n VAL 89 Ca 0.02 0.26 0.23 0.00 -0.01 0.00 0.00 64.34 64.83 1hcy n VAL 89 Cb 0.06 -1.06 0.38 0.00 -0.91 0.00 0.00 33.84 32.31 1hcy n VAL 89 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1hcy n LEU 90 N -1.71 0.08 -0.13 7.52 7.94 -0.91 0.31 117.00 130.10 1hcy n LEU 90 Ca 0.00 0.67 -0.10 0.00 -1.11 0.00 0.00 56.01 55.47 1hcy n LEU 90 Cb 0.00 -0.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.60 1hcy n LEU 90 CO 0.00 -0.72 0.85 -1.13 -1.11 0.00 0.00 177.39 175.28 1hcy h ASN 91 N 0.00 0.57 -0.76 1.96 -1.24 -0.61 -3.24 115.58 112.26 1hcy h ASN 91 Ca 0.47 -0.24 -0.46 0.00 0.71 0.00 0.00 56.30 56.78 1hcy h ASN 91 Cb 1.62 -0.15 -0.23 0.00 0.73 0.00 0.00 38.32 40.29 1hcy h ASN 91 CO -0.18 0.67 0.59 0.00 -1.29 0.00 0.00 177.43 177.22 1hcy n GLN 92 N -4.58 2.13 -2.92 6.67 10.64 0.91 -4.83 117.38 125.39 1hcy n GLN 92 Ca -0.01 -2.41 -0.36 0.00 -1.83 0.00 0.00 57.00 52.39 1hcy n GLN 92 Cb 0.21 -1.94 -0.06 0.00 -0.86 0.00 0.00 30.24 27.58 1hcy n GLN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hcy h LYS 94 N 3.12 0.23 -3.72 0.00 1.57 0.61 -3.46 116.57 114.92 1hcy h LYS 94 Ca -0.47 -0.40 -0.15 0.00 -1.87 0.00 0.00 60.65 57.75 1hcy h LYS 94 Cb 1.19 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.59 1hcy h LYS 94 CO 0.65 1.07 -0.05 -2.00 -0.57 0.00 0.00 179.45 178.55 1hcy s GLU 95 N -2.59 1.91 0.29 3.15 -6.30 -1.26 -5.00 118.70 108.90 1hcy s GLU 95 Ca -0.14 -1.55 -0.02 0.00 -2.50 0.00 0.00 54.97 50.77 1hcy s GLU 95 Cb 0.07 0.50 0.64 0.00 0.00 0.00 0.00 34.13 35.33 1hcy s GLU 95 CO 0.82 -0.82 1.60 2.35 0.02 0.00 0.00 175.26 179.22 1hcy h TRP 96 N 2.11 -0.05 -1.13 5.30 2.91 -1.92 0.16 115.95 123.33 1hcy h TRP 96 Ca -0.28 0.07 0.42 0.00 1.13 0.00 0.00 58.89 60.22 1hcy h TRP 96 Cb 1.24 0.17 -0.16 0.00 -0.51 0.00 0.00 29.16 29.90 1hcy h TRP 96 CO 1.18 -0.36 0.66 -0.92 -1.03 0.00 0.00 178.44 177.98 1hcy h TYR 97 N 0.05 0.73 0.00 2.65 3.20 -1.94 0.49 116.97 122.15 1hcy h TYR 97 Ca 0.53 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 62.20 1hcy h TYR 97 Cb 1.04 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1hcy h TYR 97 CO -0.48 -0.36 -1.25 0.00 -1.64 0.00 0.00 178.16 174.44 1hcy h PHE 99 N 0.00 -0.26 -0.74 0.00 3.04 0.02 -1.93 116.94 117.07 1hcy h PHE 99 Ca -0.12 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 61.98 1hcy h PHE 99 Cb 1.83 0.09 -0.11 0.00 2.56 0.00 0.00 35.95 40.32 1hcy h PHE 99 CO 0.00 -0.16 0.21 0.00 -2.02 0.00 0.00 178.31 176.34 1hcy h ARG 100 N -0.89 0.30 -0.16 1.11 3.08 -1.32 0.92 114.38 117.43 1hcy h ARG 100 Ca -0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1hcy h ARG 100 Cb 0.22 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 1hcy h ARG 100 CO 0.05 0.20 -0.52 0.77 -1.07 0.00 0.00 179.97 179.39 1hcy h SER 101 N 0.31 -1.66 0.46 7.04 0.02 -1.58 -2.73 113.55 115.41 1hcy h SER 101 Ca 0.41 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.54 1hcy h SER 101 Cb 0.69 0.66 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1hcy h SER 101 CO -0.48 -0.47 -0.22 0.78 -1.14 0.00 0.00 176.83 175.30 1hcy h ASN 102 N -0.56 -0.52 -0.28 3.07 4.21 -0.08 0.33 115.58 121.76 1hcy h ASN 102 Ca 0.05 -0.06 -0.57 0.00 1.21 0.00 0.00 56.30 56.92 1hcy h ASN 102 Cb 0.67 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1hcy h ASN 102 CO -0.45 -0.25 2.07 0.00 -1.29 0.00 0.00 177.43 177.52 1hcy n ALA 103 N -2.46 3.29 0.04 -0.83 0.00 0.30 -0.71 120.51 120.13 1hcy n ALA 103 Ca -0.11 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.92 1hcy n ALA 103 Cb 0.29 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.17 1hcy n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hcy n ALA 104 N 9.43 0.00 -0.14 0.00 0.00 -1.14 -4.70 120.51 123.96 1hcy n ALA 104 Ca 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 1hcy n ALA 104 Cb 0.43 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.90 1hcy n ALA 104 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1hcy h TYR 105 N 0.00 -0.40 0.14 0.00 3.20 0.16 -2.30 116.97 117.77 1hcy h TYR 105 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1hcy h TYR 105 Cb 0.00 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1hcy h TYR 105 CO 0.00 -0.25 -0.07 0.74 -1.64 0.00 0.00 178.16 176.94 1hcy h PHE 106 N -0.07 -0.18 -0.75 -3.82 0.04 -1.16 -3.31 116.94 107.70 1hcy h PHE 106 Ca 0.22 -0.00 0.31 0.00 2.80 0.00 0.00 57.97 61.30 1hcy h PHE 106 Cb 0.40 0.06 -0.13 0.00 2.20 0.00 0.00 35.95 38.48 1hcy h PHE 106 CO -0.44 0.28 0.41 -2.13 -0.60 0.00 0.00 178.31 175.83 1hcy n ARG 107 N -4.90 -0.04 0.10 1.51 0.00 -1.02 0.25 116.66 112.55 1hcy n ARG 107 Ca -0.08 1.02 0.13 0.00 -0.00 0.00 0.00 57.85 58.92 1hcy n ARG 107 Cb 0.27 -1.84 0.40 0.00 0.00 0.00 0.00 32.46 31.29 1hcy n ARG 107 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1hcy n GLU 108 N -4.65 0.26 0.00 -0.14 4.07 -0.90 -4.29 120.64 114.99 1hcy n GLU 108 Ca 0.28 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 1hcy n GLU 108 Cb 0.96 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 30.55 1hcy n GLU 108 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1hcy n ARG 109 N -2.24 0.02 -4.13 5.31 1.85 0.69 -5.05 116.66 113.11 1hcy n ARG 109 Ca 0.05 -0.46 -0.22 0.00 -1.00 0.00 0.00 57.85 56.22 1hcy n ARG 109 Cb 0.43 -0.50 -0.05 0.00 -1.05 0.00 0.00 32.46 31.29 1hcy n ARG 109 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1hcy s MET 110 N -0.01 2.80 0.74 2.89 -1.94 -0.51 -4.86 119.30 118.40 1hcy s MET 110 Ca 0.00 -1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 52.72 1hcy s MET 110 Cb 0.00 -2.48 0.04 0.00 2.01 0.00 0.00 34.83 34.40 1hcy s MET 110 CO 0.00 0.37 1.10 1.21 -0.01 0.00 0.00 175.02 177.70 1hcy s ASN 111 N -3.82 4.65 0.38 3.03 3.84 -1.26 -4.81 114.94 116.96 1hcy s ASN 111 Ca 0.33 1.92 0.09 0.00 0.21 0.00 0.00 52.86 55.41 1hcy s ASN 111 Cb -0.07 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.92 1hcy s ASN 111 CO 0.24 -1.94 1.95 -0.33 -2.79 0.00 0.00 177.10 174.23 1hcy h GLU 112 N -0.71 0.63 0.12 0.43 3.07 -1.89 -0.13 114.58 116.10 1hcy h GLU 112 Ca -0.45 -0.04 -0.31 0.00 -0.50 0.00 0.00 59.36 58.07 1hcy h GLU 112 Cb 1.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1hcy h GLU 112 CO 0.52 0.42 -1.54 0.78 -1.40 0.00 0.00 179.01 177.78 1hcy h GLY 113 N 0.65 0.29 0.90 -3.84 0.00 -1.93 2.49 103.07 101.63 1hcy h GLY 113 Ca 0.32 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1hcy h GLY 113 CO -0.11 0.65 0.01 0.83 0.00 0.00 0.00 176.54 177.92 1hcy h GLU 114 N 0.07 0.03 0.61 4.80 5.08 -1.89 0.52 114.58 123.80 1hcy h GLU 114 Ca -0.25 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1hcy h GLU 114 Cb 2.02 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.27 1hcy h GLU 114 CO 0.16 0.12 -0.29 0.35 -1.00 0.00 0.00 179.01 178.35 1hcy h PHE 115 N -0.07 -0.76 -0.49 4.33 3.57 -0.85 0.96 116.94 123.62 1hcy h PHE 115 Ca 0.01 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1hcy h PHE 115 Cb 0.10 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1hcy h PHE 115 CO -0.04 -0.47 -0.09 0.28 -2.23 0.00 0.00 178.31 175.76 1hcy h VAL 116 N -0.84 0.53 -0.22 1.41 2.07 0.44 0.15 116.25 119.79 1hcy h VAL 116 Ca -0.08 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1hcy h VAL 116 Cb 0.64 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1hcy h VAL 116 CO 0.14 0.01 0.13 0.22 0.02 0.00 0.00 177.57 178.08 1hcy h TYR 117 N 0.03 0.24 -0.45 1.57 5.03 0.77 -1.42 116.97 122.75 1hcy h TYR 117 Ca 0.24 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.49 1hcy h TYR 117 Cb 0.37 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1hcy h TYR 117 CO -0.39 0.15 0.00 0.00 -1.32 0.00 0.00 178.16 176.60 1hcy h ALA 118 N 1.10 0.61 -0.72 1.82 0.00 0.14 -2.66 119.26 119.56 1hcy h ALA 118 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1hcy h ALA 118 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1hcy h ALA 118 CO -0.04 0.41 0.46 1.25 0.00 0.00 0.00 179.25 181.33 1hcy h LEU 119 N 0.65 0.77 0.09 0.00 5.85 -0.27 -1.74 115.31 120.66 1hcy h LEU 119 Ca 0.13 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1hcy h LEU 119 Cb 0.50 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1hcy h LEU 119 CO 0.02 0.55 -0.04 1.88 -0.34 0.00 0.00 178.44 180.51 1hcy h TYR 120 N 0.92 -0.11 -0.78 1.25 -1.99 -1.02 0.24 116.97 115.49 1hcy h TYR 120 Ca 0.28 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.06 1hcy h TYR 120 Cb -0.04 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.68 1hcy h TYR 120 CO -0.03 0.14 0.51 0.28 -0.00 0.00 0.00 178.16 179.05 1hcy h VAL 121 N -0.34 1.05 -0.26 -2.88 2.07 -1.38 -1.47 116.25 113.04 1hcy h VAL 121 Ca -0.01 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1hcy h VAL 121 Cb 0.29 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1hcy h VAL 121 CO 0.02 0.16 -0.14 0.28 0.02 0.00 0.00 177.57 177.91 1hcy h SER 122 N 0.85 0.56 -0.29 0.57 0.02 -1.14 -1.56 113.55 112.57 1hcy h SER 122 Ca 0.33 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1hcy h SER 122 Cb 0.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1hcy h SER 122 CO -0.11 0.86 0.13 0.58 -1.14 0.00 0.00 176.83 177.15 1hcy h VAL 123 N 0.27 1.16 -0.26 2.27 2.07 -0.22 -1.89 116.25 119.64 1hcy h VAL 123 Ca 0.06 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1hcy h VAL 123 Cb 0.65 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1hcy h VAL 123 CO 0.04 0.16 0.12 0.40 0.02 0.00 0.00 177.57 178.31 1hcy h ILE 124 N 0.32 0.98 0.03 4.57 2.04 -1.13 -3.36 117.51 120.96 1hcy h ILE 124 Ca 0.10 -0.09 -0.36 0.00 1.00 0.00 0.00 64.86 65.51 1hcy h ILE 124 Cb 0.14 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1hcy h ILE 124 CO -0.01 0.05 -2.16 1.41 0.00 0.00 0.00 178.15 177.43 1hcy n HIS 125 N -4.99 0.53 -2.35 1.37 8.25 -0.60 -4.91 115.22 112.52 1hcy n HIS 125 Ca -0.01 0.15 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 1hcy n HIS 125 Cb 0.07 -1.08 -0.03 0.00 1.12 0.00 0.00 29.99 30.07 1hcy n HIS 125 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1hcy s SER 126 N -6.26 6.95 0.25 0.41 0.15 -0.71 -4.93 113.70 109.56 1hcy s SER 126 Ca -0.18 2.38 -0.07 0.00 0.70 0.00 0.00 55.95 58.77 1hcy s SER 126 Cb 0.07 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 1hcy s SER 126 CO 0.76 -0.38 1.63 0.11 1.20 0.00 0.00 173.24 176.56 1hcy h LYS 127 N 3.36 0.08 0.00 5.44 1.79 -1.88 -0.07 116.57 125.30 1hcy h LYS 127 Ca -0.48 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1hcy h LYS 127 Cb 1.22 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1hcy h LYS 127 CO 0.65 0.06 0.00 1.28 -1.08 0.00 0.00 179.45 180.36 1hcy n LEU 128 N -5.37 0.00 -2.12 2.94 4.77 -1.26 -3.81 117.00 112.15 1hcy n LEU 128 Ca 0.14 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 1hcy n LEU 128 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1hcy n LEU 128 CO 0.04 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 176.87 1hcy n GLY 129 N 0.06 5.90 0.37 -0.72 0.00 -0.04 -4.91 105.19 105.85 1hcy n GLY 129 Ca 0.00 -2.50 -0.14 0.00 0.00 0.00 0.00 46.02 43.38 1hcy n GLY 129 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hcy h ASP 130 N 2.24 -0.77 -0.92 1.61 3.32 -1.79 -3.28 116.42 116.84 1hcy h ASP 130 Ca 0.31 0.03 0.27 0.00 0.02 0.00 0.00 57.03 57.65 1hcy h ASP 130 Cb 1.49 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 41.20 1hcy h ASP 130 CO 0.70 -0.43 0.69 1.23 -1.72 0.00 0.00 179.24 179.71 1hcy h GLY 131 N -1.17 0.00 -2.72 2.75 0.00 -1.93 -3.45 103.07 96.54 1hcy h GLY 131 Ca -0.09 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.74 1hcy h GLY 131 CO 0.15 0.00 0.45 -0.42 0.00 0.00 0.00 176.54 176.73 1hcy s ILE 132 N -4.91 3.36 -0.17 2.60 1.01 -1.24 -4.96 121.20 116.89 1hcy s ILE 132 Ca -0.05 1.02 -0.05 0.00 0.00 0.00 0.00 60.65 61.58 1hcy s ILE 132 Cb 0.21 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1hcy s ILE 132 CO 0.75 -0.01 -0.01 -0.69 0.00 0.00 0.00 174.94 174.98 1hcy s VAL 133 N -1.60 4.06 0.13 2.92 1.01 -1.26 -4.67 120.40 120.99 1hcy s VAL 133 Ca 0.61 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1hcy s VAL 133 Cb -0.26 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 1hcy s VAL 133 CO 0.32 0.47 0.68 -0.76 0.00 0.00 0.00 175.10 175.80 1hcy s LEU 134 N 0.57 4.54 0.91 3.92 1.43 -1.26 -5.00 118.68 123.78 1hcy s LEU 134 Ca -0.01 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1hcy s LEU 134 Cb -0.14 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 42.99 1hcy s LEU 134 CO 0.02 0.22 0.66 -2.65 0.23 0.00 0.00 176.35 174.83 1hcy n PRO 135 N 1.54 -0.23 -2.48 1.29 -0.02 -1.26 -4.89 135.00 128.94 1hcy n PRO 135 Ca -0.07 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 1hcy n PRO 135 Cb 0.50 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1hcy n PRO 135 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1hcy s PRO 136 N -3.83 4.41 0.28 0.52 0.02 -1.26 -4.93 135.00 130.22 1hcy s PRO 136 Ca 0.61 1.67 -0.05 0.00 0.02 0.00 0.00 61.00 63.25 1hcy s PRO 136 Cb -0.24 -3.47 0.53 0.00 0.02 0.00 0.00 34.50 31.35 1hcy s PRO 136 CO 0.63 -0.32 1.57 -0.07 -0.33 0.00 0.00 177.00 178.48 1hcy h LEU 137 N 7.49 -0.74 -1.97 -5.54 3.38 -1.97 0.62 115.31 116.57 1hcy h LEU 137 Ca -0.38 0.28 0.36 0.00 0.09 0.00 0.00 57.88 58.23 1hcy h LEU 137 Cb 1.19 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 1hcy h LEU 137 CO 0.84 -0.32 0.89 0.10 0.09 0.00 0.00 178.44 180.03 1hcy h TYR 138 N 0.01 0.03 0.00 1.13 -0.00 -1.91 0.19 116.97 116.41 1hcy h TYR 138 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.95 1hcy h TYR 138 Cb 0.86 -0.01 -0.05 0.00 0.00 0.00 0.00 36.73 37.53 1hcy h TYR 138 CO -0.65 0.00 -2.08 0.00 -0.00 0.00 0.00 178.16 175.42 1hcy n GLN 139 N -4.18 0.67 -0.08 0.10 10.64 0.21 -3.46 117.38 121.28 1hcy n GLN 139 Ca 0.27 0.05 -0.14 0.00 -1.83 0.00 0.00 57.00 55.36 1hcy n GLN 139 Cb 1.29 -1.61 -0.05 0.00 -0.86 0.00 0.00 30.24 29.01 1hcy n GLN 139 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1hcy h ILE 140 N 0.00 1.32 -2.27 -0.39 1.08 -0.42 -3.37 117.51 113.45 1hcy h ILE 140 Ca -0.38 -1.50 -0.58 0.00 -0.39 0.00 0.00 64.86 62.01 1hcy h ILE 140 Cb 1.96 1.71 -0.39 0.00 -3.07 0.00 0.00 36.82 37.02 1hcy h ILE 140 CO 0.04 0.47 -0.94 0.35 -0.69 0.00 0.00 178.15 177.38 1hcy n THR 141 N -4.29 -0.25 0.26 -0.27 -2.24 -0.57 -4.73 114.28 102.19 1hcy n THR 141 Ca -0.05 -4.04 0.06 0.00 -2.27 0.00 0.00 64.05 57.75 1hcy n THR 141 Cb 0.48 -1.89 0.27 0.00 -2.10 0.00 0.00 70.33 67.09 1hcy n THR 141 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1hcy n PRO 142 N 1.92 0.05 0.26 -0.78 -0.02 -1.22 -2.99 135.00 132.21 1hcy n PRO 142 Ca 0.25 0.42 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 1hcy n PRO 142 Cb 0.48 -1.62 0.56 0.00 -0.02 0.00 0.00 33.50 32.89 1hcy n PRO 142 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1hcy h HIS 143 N 0.00 0.00 -0.00 6.00 3.86 -1.86 0.06 115.15 123.21 1hcy h HIS 143 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1hcy h HIS 143 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1hcy h HIS 143 CO 0.00 0.06 -0.28 -1.33 0.86 0.00 0.00 177.93 177.24 1hcy n MET 144 N -3.16 0.28 0.00 2.45 2.81 -1.16 -4.33 117.12 114.01 1hcy n MET 144 Ca 0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1hcy n MET 144 Cb 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1hcy n MET 144 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1hcy n PHE 145 N -1.25 0.00 -3.56 2.03 3.01 -1.01 -4.68 117.46 112.01 1hcy n PHE 145 Ca 0.09 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.27 1hcy n PHE 145 Cb 0.33 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.76 1hcy n PHE 145 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1hcy s THR 146 N -1.45 5.13 0.10 4.37 2.01 -0.02 -4.96 115.64 120.82 1hcy s THR 146 Ca 0.00 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1hcy s THR 146 Cb 0.00 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1hcy s THR 146 CO 0.00 -0.22 0.04 -3.20 -0.69 0.00 0.00 174.62 170.55 1hcy n ASN 147 N -0.74 -1.11 -0.01 3.53 5.15 -1.26 -4.68 115.26 116.14 1hcy n ASN 147 Ca -0.03 -0.04 0.08 0.00 -0.60 0.00 0.00 54.58 53.99 1hcy n ASN 147 Cb 0.54 -0.08 -0.12 0.00 -0.53 0.00 0.00 39.78 39.59 1hcy n ASN 147 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1hcy n SER 148 N -1.29 1.07 -0.08 1.20 2.88 -0.98 -3.67 113.62 112.76 1hcy n SER 148 Ca 0.01 -0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 1hcy n SER 148 Cb 0.03 1.60 -0.09 0.00 -0.75 0.00 0.00 64.21 65.00 1hcy n SER 148 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1hcy h GLU 149 N 0.00 0.00 -0.34 -1.46 4.81 -1.93 -2.15 114.58 113.51 1hcy h GLU 149 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1hcy h GLU 149 Cb 0.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1hcy h GLU 149 CO 0.00 0.68 0.26 0.28 -0.73 0.00 0.00 179.01 179.50 1hcy h VAL 150 N -1.00 0.75 -0.44 0.32 2.07 -1.92 0.38 116.25 116.40 1hcy h VAL 150 Ca -0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 1hcy h VAL 150 Cb 0.83 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1hcy h VAL 150 CO -0.06 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.83 1hcy h ILE 151 N 0.00 1.27 0.00 4.57 1.08 -1.63 0.93 117.51 123.73 1hcy h ILE 151 Ca 0.16 -1.21 -0.07 0.00 -0.39 0.00 0.00 64.86 63.35 1hcy h ILE 151 Cb 0.67 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1hcy h ILE 151 CO -0.00 0.41 -0.33 0.44 -0.69 0.00 0.00 178.15 177.98 1hcy h ASP 152 N 0.68 0.00 0.62 1.72 5.19 0.34 -1.42 116.42 123.55 1hcy h ASP 152 Ca 0.11 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 1hcy h ASP 152 Cb 0.63 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 1hcy h ASP 152 CO 0.04 0.33 -0.53 0.11 -3.12 0.00 0.00 179.24 176.07 1hcy h LYS 153 N 0.00 0.00 0.00 3.56 1.57 0.46 -1.63 116.57 120.53 1hcy h LYS 153 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1hcy h LYS 153 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1hcy h LYS 153 CO 0.04 0.53 -0.72 0.00 -0.57 0.00 0.00 179.45 178.74 1hcy h ALA 154 N 1.47 0.71 -0.12 3.86 0.00 -0.01 -1.66 119.26 123.50 1hcy h ALA 154 Ca -0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 1hcy h ALA 154 Cb 0.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1hcy h ALA 154 CO 0.07 0.90 -0.39 1.88 0.00 0.00 0.00 179.25 181.70 1hcy h TYR 155 N 0.00 0.31 -0.01 0.00 0.05 -0.45 -1.84 116.97 115.03 1hcy h TYR 155 Ca -0.01 -0.08 -0.23 0.00 0.05 0.00 0.00 58.73 58.46 1hcy h TYR 155 Cb 1.36 -0.07 0.02 0.00 1.01 0.00 0.00 36.73 39.05 1hcy h TYR 155 CO 0.00 0.62 -0.89 0.77 -1.05 0.00 0.00 178.16 177.62 1hcy h SER 156 N 0.22 0.80 -0.15 3.88 0.02 -1.01 -1.07 113.55 116.24 1hcy h SER 156 Ca 0.02 -0.74 0.02 0.00 -0.84 0.00 0.00 61.79 60.25 1hcy h SER 156 Cb 0.79 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1hcy h SER 156 CO 0.06 1.43 -0.15 0.00 -1.14 0.00 0.00 176.83 177.04 1hcy h ALA 157 N 0.39 -0.33 -0.55 3.77 0.00 -0.95 0.52 119.26 122.11 1hcy h ALA 157 Ca -0.11 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1hcy h ALA 157 Cb 1.56 0.90 -0.11 0.00 0.00 0.00 0.00 17.79 20.14 1hcy h ALA 157 CO 0.18 -0.41 -0.26 -0.22 0.00 0.00 0.00 179.25 178.53 1hcy h LYS 158 N -0.07 -0.12 -0.41 0.00 1.63 -1.36 0.70 116.57 116.94 1hcy h LYS 158 Ca 0.03 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.92 1hcy h LYS 158 Cb 0.14 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 31.70 1hcy h LYS 158 CO -0.18 -0.08 -0.27 0.52 -3.45 0.00 0.00 179.45 175.99 1hcy h MET 159 N -0.13 -0.19 -0.01 1.90 0.00 0.40 -0.32 114.93 116.60 1hcy h MET 159 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.96 1hcy h MET 159 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 31.60 32.15 1hcy h MET 159 CO -0.62 -0.13 -0.06 0.25 0.00 0.00 0.00 176.91 176.35 1hcy n THR 160 N -5.41 0.00 -2.29 2.22 -2.24 -0.31 -4.95 114.28 101.30 1hcy n THR 160 Ca 0.02 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 1hcy n THR 160 Cb 0.32 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1hcy n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hcy n GLN 161 N -0.72 -1.51 -4.85 -0.78 1.13 0.23 -4.95 117.38 105.93 1hcy n GLN 161 Ca 0.18 0.95 -0.30 0.00 -1.94 0.00 0.00 57.00 55.88 1hcy n GLN 161 Cb 0.25 -5.50 -0.17 0.00 0.11 0.00 0.00 30.24 24.94 1hcy n GLN 161 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1hcy s LYS 162 N -4.84 2.70 0.92 -1.09 2.20 -1.19 -4.99 119.74 113.44 1hcy s LYS 162 Ca 0.00 -0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 1hcy s LYS 162 Cb 0.00 -2.13 0.20 0.00 -1.51 0.00 0.00 37.83 34.38 1hcy s LYS 162 CO 0.00 0.06 1.26 -2.14 -0.36 0.00 0.00 175.35 174.17 1hcy s PRO 163 N 0.63 0.75 0.00 4.03 0.02 -1.26 -4.45 135.00 134.72 1hcy s PRO 163 Ca -0.13 -0.67 0.00 0.00 0.02 0.00 0.00 61.00 60.22 1hcy s PRO 163 Cb -0.16 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1hcy s PRO 163 CO 0.03 -2.27 0.00 0.41 -0.33 0.00 0.00 177.00 174.85 1hcy n GLY 164 N -3.58 4.09 3.79 0.52 0.00 -1.16 -5.04 105.19 103.81 1hcy n GLY 164 Ca 0.16 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1hcy n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hcy s THR 165 N -2.07 4.82 0.08 2.61 -4.23 -1.26 -3.09 115.64 112.50 1hcy s THR 165 Ca 0.00 1.22 0.06 0.00 -1.18 0.00 0.00 61.69 61.79 1hcy s THR 165 Cb 0.00 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1hcy s THR 165 CO 0.00 0.49 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.12 1hcy s PHE 166 N -0.70 2.78 -0.16 3.99 0.08 -0.40 -4.92 117.98 118.65 1hcy s PHE 166 Ca 0.30 -0.13 -0.15 0.00 0.12 0.00 0.00 56.93 57.07 1hcy s PHE 166 Cb -0.19 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1hcy s PHE 166 CO 0.18 0.41 0.36 -0.80 -0.10 0.00 0.00 175.22 175.27 1hcy s ASN 167 N -2.01 6.48 0.40 1.36 0.01 -1.26 0.16 114.94 120.08 1hcy s ASN 167 Ca 0.21 0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 52.90 1hcy s ASN 167 Cb -0.11 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 1hcy s ASN 167 CO 0.12 0.03 0.64 0.68 -1.51 0.00 0.00 177.10 177.06 1hcy s VAL 168 N 0.74 5.00 -0.20 1.60 -7.23 0.59 -4.91 120.40 115.99 1hcy s VAL 168 Ca 0.19 -0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 59.93 1hcy s VAL 168 Cb -0.14 -3.85 -0.20 0.00 0.56 0.00 0.00 36.38 32.75 1hcy s VAL 168 CO 0.06 -0.66 0.24 0.77 -0.31 0.00 0.00 175.10 175.20 1hcy h SER 169 N 0.55 0.03 -5.00 4.85 4.64 -1.97 -3.44 113.55 113.21 1hcy h SER 169 Ca -0.49 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 1hcy h SER 169 Cb 1.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1hcy h SER 169 CO 0.61 1.51 0.00 0.49 -0.87 0.00 0.00 176.83 178.57 1hcy n PHE 170 N -4.37 0.00 0.00 4.77 3.72 -1.26 -5.08 117.46 115.23 1hcy n PHE 170 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1hcy n PHE 170 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 1hcy n PHE 170 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1hcy n THR 171 N 1.30 0.00 -0.13 4.37 -1.04 -1.26 -4.98 114.28 112.54 1hcy n THR 171 Ca 0.00 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1hcy n THR 171 Cb 0.00 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1hcy n THR 171 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hcy n GLY 172 N 2.00 -1.89 3.58 3.41 0.00 -1.26 -4.81 105.19 106.22 1hcy n GLY 172 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1hcy n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hcy s THR 173 N -0.21 4.06 0.36 2.61 2.01 -1.26 -4.91 115.64 118.30 1hcy s THR 173 Ca 0.00 -1.76 -0.26 0.00 0.31 0.00 0.00 61.69 59.98 1hcy s THR 173 Cb 0.00 -5.14 -0.12 0.00 0.01 0.00 0.00 72.50 67.25 1hcy s THR 173 CO 0.00 -1.94 0.97 1.17 -0.69 0.00 0.00 174.62 174.13 1hcy n LYS 174 N 8.42 1.29 -2.79 4.92 0.00 -1.26 -0.77 118.16 127.98 1hcy n LYS 174 Ca 0.48 0.46 -0.01 0.00 0.00 0.00 0.00 58.31 59.23 1hcy n LYS 174 Cb 0.46 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1hcy n LYS 174 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1hcy n LYS 175 N 0.44 -1.27 0.00 1.64 0.00 -1.26 -4.75 118.16 112.96 1hcy n LYS 175 Ca 0.09 1.44 0.00 0.00 -0.00 0.00 0.00 58.31 59.84 1hcy n LYS 175 Cb 0.36 -5.11 0.00 0.00 -0.00 0.00 0.00 35.03 30.28 1hcy n LYS 175 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1hcy n ASN 176 N -1.43 0.00 0.00 -5.58 5.03 0.05 -5.12 115.26 108.20 1hcy n ASN 176 Ca 0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1hcy n ASN 176 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 1hcy n ASN 176 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1hcy n ARG 177 N 0.00 0.00 -1.23 3.52 1.74 -1.05 -5.01 116.66 114.63 1hcy n ARG 177 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1hcy n ARG 177 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1hcy n ARG 177 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1hcy n GLU 178 N 0.00 0.25 -2.89 5.56 0.28 -1.26 -4.86 120.64 117.71 1hcy n GLU 178 Ca 0.00 -0.76 -0.33 0.00 -0.16 0.00 0.00 57.16 55.92 1hcy n GLU 178 Cb 0.00 0.45 -0.02 0.00 1.43 0.00 0.00 31.44 33.30 1hcy n GLU 178 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1hcy n GLN 179 N -0.28 3.99 0.00 3.44 1.13 -1.26 -3.60 117.38 120.80 1hcy n GLN 179 Ca -0.18 -4.77 0.00 0.00 -1.94 0.00 0.00 57.00 50.11 1hcy n GLN 179 Cb 0.62 -2.33 0.00 0.00 0.11 0.00 0.00 30.24 28.64 1hcy n GLN 179 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1hcy n ARG 180 N 0.01 4.26 -0.45 -1.09 0.63 -1.26 -4.55 116.66 114.21 1hcy n ARG 180 Ca 0.36 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.36 1hcy n ARG 180 Cb 0.35 -0.35 0.16 0.00 0.45 0.00 0.00 32.46 33.06 1hcy n ARG 180 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1hcy n VAL 181 N 0.00 1.82 -0.25 5.15 3.14 -1.24 -4.73 118.33 122.22 1hcy n VAL 181 Ca 0.00 -2.54 -0.08 0.00 -2.96 0.00 0.00 64.34 58.76 1hcy n VAL 181 Cb 0.00 -0.12 0.04 0.00 -1.06 0.00 0.00 33.84 32.71 1hcy n VAL 181 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hcy h ALA 182 N 0.55 0.92 -0.60 1.55 0.00 -1.84 -3.05 119.26 116.80 1hcy h ALA 182 Ca -0.02 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 54.81 1hcy h ALA 182 Cb 1.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1hcy h ALA 182 CO 0.01 0.66 0.48 0.10 0.00 0.00 0.00 179.25 180.50 1hcy h TYR 183 N 1.06 0.00 0.00 0.00 -0.00 -1.95 -0.49 116.97 115.59 1hcy h TYR 183 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.93 1hcy h TYR 183 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.14 1hcy h TYR 183 CO 0.03 0.00 -0.11 0.35 -0.00 0.00 0.00 178.16 178.43 1hcy h PHE 184 N 0.00 0.00 -0.10 0.10 3.04 -1.92 -3.32 116.94 114.74 1hcy h PHE 184 Ca 0.29 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.15 1hcy h PHE 184 Cb 1.24 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 1hcy h PHE 184 CO 0.00 0.70 -0.34 0.78 -2.02 0.00 0.00 178.31 177.43 1hcy h GLY 185 N -1.00 0.21 -0.38 2.40 0.00 -1.57 -3.23 103.07 99.49 1hcy h GLY 185 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1hcy h GLY 185 CO -0.02 0.16 0.00 1.18 0.00 0.00 0.00 176.54 177.87 1hcy n GLU 186 N -4.09 1.52 -2.48 4.80 1.02 -0.23 -4.21 120.64 116.97 1hcy n GLU 186 Ca -0.01 -0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 55.94 1hcy n GLU 186 Cb 0.42 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 1hcy n GLU 186 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1hcy s ASP 187 N -1.63 7.24 0.00 1.62 -1.08 -1.22 -4.94 116.67 116.66 1hcy s ASP 187 Ca 0.32 2.15 0.18 0.00 -0.52 0.00 0.00 52.55 54.69 1hcy s ASP 187 Cb 0.17 -2.61 0.90 0.00 -1.46 0.00 0.00 42.92 39.92 1hcy s ASP 187 CO 0.26 -0.23 1.55 2.30 0.52 0.00 0.00 175.17 179.58 1hcy n ILE 188 N 2.13 0.50 0.04 4.11 -5.35 -1.26 -0.71 119.36 118.81 1hcy n ILE 188 Ca 0.02 0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.40 1hcy n ILE 188 Cb 0.46 -0.82 -0.14 0.00 -1.74 0.00 0.00 39.64 37.39 1hcy n ILE 188 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1hcy h GLY 189 N 3.01 0.39 1.05 3.28 0.00 -1.96 -2.32 103.07 106.51 1hcy h GLY 189 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 47.33 46.11 1hcy h GLY 189 CO 0.00 0.86 -0.95 -0.33 0.00 0.00 0.00 176.54 176.13 1hcy h MET 190 N 0.09 0.57 -0.87 4.80 2.86 -1.78 -0.32 114.93 120.29 1hcy h MET 190 Ca -0.38 -0.67 0.03 0.00 -2.06 0.00 0.00 59.70 56.62 1hcy h MET 190 Cb 2.07 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 33.88 1hcy h MET 190 CO 0.14 1.27 0.57 -0.91 1.06 0.00 0.00 176.91 179.04 1hcy h ASN 191 N 0.17 0.94 0.28 1.22 -0.26 -1.06 0.31 115.58 117.18 1hcy h ASN 191 Ca -0.13 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1hcy h ASN 191 Cb 1.63 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.68 1hcy h ASN 191 CO 0.18 0.65 -0.13 0.40 -1.06 0.00 0.00 177.43 177.47 1hcy h ILE 192 N 1.09 0.00 -0.93 2.81 1.08 -0.93 -2.76 117.51 117.87 1hcy h ILE 192 Ca 0.34 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 65.03 1hcy h ILE 192 Cb 0.00 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.58 1hcy h ILE 192 CO -0.10 0.00 -0.11 1.57 -0.69 0.00 0.00 178.15 178.82 1hcy n HIS 193 N -3.00 0.46 -0.09 1.37 -0.00 -0.17 -0.20 115.22 113.59 1hcy n HIS 193 Ca -0.05 1.13 -0.06 0.00 -0.00 0.00 0.00 57.72 58.75 1hcy n HIS 193 Cb 0.15 -1.12 -0.00 0.00 -0.00 0.00 0.00 29.99 29.02 1hcy n HIS 193 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1hcy h HIS 194 N 0.00 -0.26 -0.05 1.57 -0.00 -0.25 0.80 115.15 116.96 1hcy h HIS 194 Ca 0.51 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.90 1hcy h HIS 194 Cb 0.92 0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 28.49 1hcy h HIS 194 CO -0.60 -0.18 -0.01 -0.39 -0.00 0.00 0.00 177.93 176.74 1hcy h VAL 195 N -0.05 1.30 -0.44 5.26 -1.51 -0.45 -2.94 116.25 117.42 1hcy h VAL 195 Ca 0.16 -0.93 0.07 0.00 -1.23 0.00 0.00 66.70 64.78 1hcy h VAL 195 Cb 0.29 1.83 -0.06 0.00 -2.13 0.00 0.00 31.29 31.22 1hcy h VAL 195 CO -0.36 0.25 0.08 0.74 -1.23 0.00 0.00 177.57 177.05 1hcy h THR 196 N -0.27 0.75 -0.86 7.19 2.02 0.94 -1.96 112.91 120.72 1hcy h THR 196 Ca 0.01 -0.07 0.16 0.00 0.77 0.00 0.00 66.41 67.28 1hcy h THR 196 Cb 0.41 0.52 -0.16 0.00 -1.74 0.00 0.00 68.15 67.18 1hcy h THR 196 CO 0.00 0.04 -0.27 -0.25 0.37 0.00 0.00 175.52 175.42 1hcy h TRP 197 N 0.21 -0.65 -0.15 3.16 7.01 0.64 1.17 115.95 127.35 1hcy h TRP 197 Ca 0.22 0.08 -0.06 0.00 2.11 0.00 0.00 58.89 61.24 1hcy h TRP 197 Cb 0.28 0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 1hcy h TRP 197 CO -0.22 -0.38 0.07 0.72 -2.79 0.00 0.00 178.44 175.84 1hcy n HIS 198 N -5.53 0.48 0.00 2.65 8.25 -0.75 -1.61 115.22 118.71 1hcy n HIS 198 Ca 0.11 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1hcy n HIS 198 Cb 0.42 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1hcy n HIS 198 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1hcy n MET 199 N 0.17 1.81 -0.01 -0.41 1.56 0.32 -4.31 117.12 116.25 1hcy n MET 199 Ca 0.08 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.39 1hcy n MET 199 Cb 0.60 -0.81 -0.10 0.00 2.15 0.00 0.00 33.22 35.06 1hcy n MET 199 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1hcy h ASP 200 N 0.00 -0.01 -3.63 6.12 5.19 0.11 -3.37 116.42 120.84 1hcy h ASP 200 Ca 0.00 -0.46 -0.62 0.00 -0.62 0.00 0.00 57.03 55.33 1hcy h ASP 200 Cb 0.62 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.73 1hcy h ASP 200 CO 0.00 0.46 -0.72 -0.36 -3.12 0.00 0.00 179.24 175.50 1hcy s PHE 201 N -4.33 2.42 0.46 4.55 0.40 -0.63 -4.85 117.98 116.00 1hcy s PHE 201 Ca -0.16 -2.51 -0.21 0.00 -0.60 0.00 0.00 56.93 53.45 1hcy s PHE 201 Cb 0.02 -2.19 -0.09 0.00 0.51 0.00 0.00 43.02 41.27 1hcy s PHE 201 CO 0.67 -0.82 1.02 -1.25 0.70 0.00 0.00 175.22 175.54 1hcy s PRO 202 N 0.58 3.93 0.34 0.24 0.05 -1.26 -4.61 135.00 134.27 1hcy s PRO 202 Ca 0.15 1.34 0.04 0.00 0.05 0.00 0.00 61.00 62.58 1hcy s PRO 202 Cb -0.22 -2.17 0.63 0.00 0.05 0.00 0.00 34.50 32.78 1hcy s PRO 202 CO -0.06 -0.32 1.91 0.27 0.05 0.00 0.00 177.00 178.85 1hcy h PHE 203 N 1.76 0.58 -0.22 0.56 -5.15 -1.94 -3.09 116.94 109.43 1hcy h PHE 203 Ca -0.49 -0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.24 1hcy h PHE 203 Cb 1.21 -0.18 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1hcy h PHE 203 CO 0.58 0.51 0.00 -2.67 -2.00 0.00 0.00 178.31 174.73 1hcy n TRP 204 N -4.32 0.33 -2.20 6.09 4.27 -1.26 -2.51 117.44 117.83 1hcy n TRP 204 Ca 0.02 -0.16 -0.42 0.00 -3.89 0.00 0.00 57.50 53.06 1hcy n TRP 204 Cb 0.20 -0.02 -0.03 0.00 -1.36 0.00 0.00 31.31 30.10 1hcy n TRP 204 CO 0.00 0.00 0.00 -0.46 -2.29 0.00 0.00 177.69 174.94 1hcy s TRP 205 N -1.69 3.25 0.21 -2.67 -0.11 -1.17 -4.88 118.94 111.88 1hcy s TRP 205 Ca 0.15 1.15 0.08 0.00 1.22 0.00 0.00 56.10 58.70 1hcy s TRP 205 Cb 0.08 -3.63 -0.04 0.00 -1.50 0.00 0.00 33.47 28.38 1hcy s TRP 205 CO 0.10 -2.02 -0.01 -1.21 -4.62 0.00 0.00 176.95 169.19 1hcy s GLU 206 N 0.19 2.34 -0.01 5.86 2.02 -1.26 -4.55 118.70 123.29 1hcy s GLU 206 Ca 0.59 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1hcy s GLU 206 Cb -0.37 -2.27 0.09 0.00 0.10 0.00 0.00 34.13 31.68 1hcy s GLU 206 CO 0.36 0.42 0.93 -0.25 0.02 0.00 0.00 175.26 176.74 1hcy n ASP 207 N -0.39 0.89 0.09 -0.19 9.92 -1.26 -2.57 116.55 123.04 1hcy n ASP 207 Ca -0.09 -2.04 -0.12 0.00 -0.53 0.00 0.00 54.79 52.01 1hcy n ASP 207 Cb 0.56 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.73 1hcy n ASP 207 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1hcy h SER 208 N 0.55 0.33 0.00 -2.24 0.02 -1.94 -2.86 113.55 107.41 1hcy h SER 208 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1hcy h SER 208 Cb 0.32 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1hcy h SER 208 CO 0.02 1.20 0.02 -1.22 -1.14 0.00 0.00 176.83 175.71 1hcy n TYR 209 N -3.57 0.00 0.00 3.45 4.01 -1.06 -4.80 117.16 115.20 1hcy n TYR 209 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1hcy n TYR 209 Cb 0.93 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1hcy n TYR 209 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hcy n GLY 210 N -1.46 1.42 2.42 2.72 0.00 -1.08 -5.04 105.19 104.17 1hcy n GLY 210 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1hcy n GLY 210 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1hcy n TYR 211 N 0.00 -1.49 -4.82 1.61 0.18 -1.26 -5.10 117.16 106.28 1hcy n TYR 211 Ca 0.00 -1.00 -0.27 0.00 1.88 0.00 0.00 57.90 58.51 1hcy n TYR 211 Cb 0.00 0.50 -0.17 0.00 -0.38 0.00 0.00 39.34 39.29 1hcy n TYR 211 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1hcy s HIS 212 N -4.13 1.84 0.16 -3.48 5.65 -1.26 -4.56 115.29 109.51 1hcy s HIS 212 Ca 0.12 -0.69 -0.30 0.00 0.25 0.00 0.00 55.06 54.44 1hcy s HIS 212 Cb -0.02 -1.28 -0.07 0.00 -1.18 0.00 0.00 32.58 30.02 1hcy s HIS 212 CO 0.06 -0.31 1.06 -0.51 -0.65 0.00 0.00 174.74 174.38 1hcy s LEU 213 N 0.49 4.50 0.03 8.88 1.02 -1.26 -4.44 118.68 127.90 1hcy s LEU 213 Ca -0.15 2.01 -0.09 0.00 0.02 0.00 0.00 54.13 55.92 1hcy s LEU 213 Cb -0.16 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 1hcy s LEU 213 CO 0.05 -0.16 1.14 -0.78 0.02 0.00 0.00 176.35 176.62 1hcy h ASP 214 N 5.17 -0.40 -0.11 2.29 3.58 -1.85 -3.36 116.42 121.73 1hcy h ASP 214 Ca -0.44 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 56.93 1hcy h ASP 214 Cb 1.21 0.15 -0.16 0.00 1.72 0.00 0.00 39.33 42.24 1hcy h ASP 214 CO 0.72 -0.15 -0.70 0.54 -2.88 0.00 0.00 179.24 176.77 1hcy n ARG 215 N -3.21 1.47 -1.67 0.28 1.74 -1.26 -4.97 116.66 109.04 1hcy n ARG 215 Ca -0.02 -3.11 -0.43 0.00 -0.77 0.00 0.00 57.85 53.51 1hcy n ARG 215 Cb 0.11 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1hcy n ARG 215 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hcy n LYS 216 N -0.66 2.75 0.00 5.56 5.02 -1.26 0.84 118.16 130.41 1hcy n LYS 216 Ca 0.18 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.48 1hcy n LYS 216 Cb 0.84 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1hcy n LYS 216 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hcy n GLY 217 N 4.44 0.40 0.20 0.72 0.00 -1.26 -4.73 105.19 104.96 1hcy n GLY 217 Ca 0.20 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1hcy n GLY 217 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hcy h GLU 218 N 0.00 0.58 -0.02 1.61 5.08 0.21 -0.55 114.58 121.49 1hcy h GLU 218 Ca 0.00 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1hcy h GLU 218 Cb 0.00 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1hcy h GLU 218 CO 0.00 1.07 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.90 1hcy h LEU 219 N 0.41 -0.33 -0.25 1.33 4.07 -0.90 -0.16 115.31 119.47 1hcy h LEU 219 Ca -0.03 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1hcy h LEU 219 Cb 1.29 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 1hcy h LEU 219 CO 0.13 -0.16 0.11 0.15 -1.08 0.00 0.00 178.44 177.59 1hcy h PHE 220 N -0.18 0.20 0.00 1.13 3.04 -1.55 0.31 116.94 119.89 1hcy h PHE 220 Ca 0.05 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1hcy h PHE 220 Cb 0.25 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1hcy h PHE 220 CO -0.18 0.11 0.00 0.34 -2.02 0.00 0.00 178.31 176.56 1hcy n PHE 221 N -5.00 0.00 0.00 0.41 7.35 -0.30 -3.12 117.46 116.80 1hcy n PHE 221 Ca -0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.58 1hcy n PHE 221 Cb 0.07 -0.38 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 1hcy n PHE 221 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 1hcy h TRP 222 N 0.00 -0.39 -0.93 -5.13 -0.00 -1.01 -2.91 115.95 105.58 1hcy h TRP 222 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.00 1hcy h TRP 222 Cb 0.00 0.19 -0.07 0.00 -0.00 0.00 0.00 29.16 29.28 1hcy h TRP 222 CO -0.72 -0.22 0.60 0.28 -0.00 0.00 0.00 178.44 178.38 1hcy h VAL 223 N -0.20 1.00 0.00 2.65 2.07 -0.87 0.15 116.25 121.05 1hcy h VAL 223 Ca 0.09 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1hcy h VAL 223 Cb 0.33 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1hcy h VAL 223 CO -0.23 0.18 -0.27 0.45 0.02 0.00 0.00 177.57 177.72 1hcy h HIS 224 N 0.98 0.00 -0.07 1.57 3.86 -1.54 -1.90 115.15 118.06 1hcy h HIS 224 Ca 0.43 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.53 1hcy h HIS 224 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1hcy h HIS 224 CO -0.00 0.27 -0.43 1.25 0.86 0.00 0.00 177.93 179.87 1hcy h HIS 225 N 0.00 0.17 0.13 2.45 -0.00 -0.96 1.18 115.15 118.12 1hcy h HIS 225 Ca -0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1hcy h HIS 225 Cb 1.19 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 1hcy h HIS 225 CO 0.00 0.56 -0.06 1.96 -0.00 0.00 0.00 177.93 180.39 1hcy h GLN 226 N 0.12 -0.17 -0.65 5.26 4.20 -0.27 0.16 115.11 123.77 1hcy h GLN 226 Ca 0.01 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1hcy h GLN 226 Cb 0.82 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1hcy h GLN 226 CO 0.06 0.28 0.39 -0.07 -0.67 0.00 0.00 178.83 178.82 1hcy h LEU 227 N -0.70 0.63 -2.08 1.46 4.07 -1.14 0.60 115.31 118.16 1hcy h LEU 227 Ca -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1hcy h LEU 227 Cb 0.52 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1hcy h LEU 227 CO 0.03 0.43 -0.07 0.74 -1.08 0.00 0.00 178.44 178.49 1hcy h THR 228 N 0.76 0.74 0.03 0.22 2.02 0.19 0.30 112.91 117.17 1hcy h THR 228 Ca 0.27 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1hcy h THR 228 Cb 0.05 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1hcy h THR 228 CO -0.12 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.82 1hcy h ALA 229 N 1.93 -0.04 -0.68 6.16 0.00 0.39 -1.30 119.26 125.71 1hcy h ALA 229 Ca -0.00 -0.34 0.14 0.00 0.00 0.00 0.00 54.91 54.71 1hcy h ALA 229 Cb 0.16 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1hcy h ALA 229 CO 0.01 -0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.28 1hcy h ARG 230 N -0.80 0.28 0.01 0.00 3.08 0.74 0.73 114.38 118.42 1hcy h ARG 230 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1hcy h ARG 230 Cb 0.69 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1hcy h ARG 230 CO 0.01 0.19 -0.00 0.35 -1.07 0.00 0.00 179.97 179.44 1hcy h PHE 231 N 0.29 -0.01 -0.88 3.04 3.57 -0.44 -2.41 116.94 120.10 1hcy h PHE 231 Ca 0.37 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.99 1hcy h PHE 231 Cb 0.60 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.26 1hcy h PHE 231 CO -0.25 0.09 0.51 -0.44 -2.23 0.00 0.00 178.31 175.99 1hcy h ASP 232 N -0.11 0.71 -0.09 0.41 3.32 0.53 0.44 116.42 121.64 1hcy h ASP 232 Ca -0.00 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1hcy h ASP 232 Cb 0.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1hcy h ASP 232 CO 0.00 0.38 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.63 1hcy h PHE 233 N 0.81 -0.02 -0.84 4.55 0.04 0.75 -1.94 116.94 120.28 1hcy h PHE 233 Ca 0.44 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.34 1hcy h PHE 233 Cb 0.46 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.57 1hcy h PHE 233 CO -0.05 -0.02 0.55 0.93 -0.60 0.00 0.00 178.31 179.12 1hcy h GLU 234 N 0.02 0.68 0.00 1.51 4.39 -0.48 0.62 114.58 121.32 1hcy h GLU 234 Ca 0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1hcy h GLU 234 Cb 0.05 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1hcy h GLU 234 CO -0.07 0.45 0.00 0.07 -1.16 0.00 0.00 179.01 178.30 1hcy h ARG 235 N 0.71 0.00 0.17 2.33 0.11 -0.86 -2.46 114.38 114.37 1hcy h ARG 235 Ca 0.41 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.48 1hcy h ARG 235 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1hcy h ARG 235 CO -0.17 0.00 -0.08 1.25 0.10 0.00 0.00 179.97 181.07 1hcy h LEU 236 N 0.00 -0.19 -0.44 0.08 5.85 0.99 0.54 115.31 122.14 1hcy h LEU 236 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1hcy h LEU 236 Cb 0.47 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1hcy h LEU 236 CO 0.00 0.19 0.02 -1.20 -0.34 0.00 0.00 178.44 177.10 1hcy n SER 237 N -5.03 0.17 -1.35 1.25 7.64 -0.80 -1.47 113.62 114.04 1hcy n SER 237 Ca -0.09 0.57 -0.09 0.00 1.01 0.00 0.00 58.87 60.27 1hcy n SER 237 Cb 0.23 -0.59 0.16 0.00 -1.01 0.00 0.00 64.21 63.00 1hcy n SER 237 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hcy n ASN 238 N -1.72 3.22 -0.25 6.43 3.02 -0.57 -4.65 115.26 120.73 1hcy n ASN 238 Ca -0.00 -3.81 -0.03 0.00 -0.03 0.00 0.00 54.58 50.71 1hcy n ASN 238 Cb 0.03 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.59 1hcy n ASN 238 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1hcy n TRP 239 N -1.03 0.00 -3.20 3.10 7.02 -0.54 -4.97 117.44 117.82 1hcy n TRP 239 Ca 0.36 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.63 1hcy n TRP 239 Cb 0.95 -1.85 0.01 0.00 -2.42 0.00 0.00 31.31 27.99 1hcy n TRP 239 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1hcy s LEU 240 N -0.75 3.78 -0.01 -0.99 1.43 0.18 -5.03 118.68 117.29 1hcy s LEU 240 Ca 0.00 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1hcy s LEU 240 Cb 0.00 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1hcy s LEU 240 CO 0.00 -0.60 0.22 -1.81 0.23 0.00 0.00 176.35 174.39 1hcy s ASP 241 N -4.21 6.43 0.32 2.29 1.01 -1.26 -4.11 116.67 117.13 1hcy s ASP 241 Ca 0.47 0.45 -0.11 0.00 0.71 0.00 0.00 52.55 54.08 1hcy s ASP 241 Cb -0.10 -2.05 -0.09 0.00 1.01 0.00 0.00 42.92 41.70 1hcy s ASP 241 CO 0.35 0.27 -0.10 -2.65 0.21 0.00 0.00 175.17 173.25 1hcy n PRO 242 N 1.11 0.00 -2.91 8.23 -0.02 -1.26 -4.82 135.00 135.33 1hcy n PRO 242 Ca -0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.03 1hcy n PRO 242 Cb 0.53 -0.59 -0.07 0.00 -0.02 0.00 0.00 33.50 33.35 1hcy n PRO 242 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hcy s VAL 243 N -1.18 4.46 0.52 -1.45 -7.23 -1.26 -5.02 120.40 109.24 1hcy s VAL 243 Ca 0.33 1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 61.64 1hcy s VAL 243 Cb -0.28 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 32.95 1hcy s VAL 243 CO 0.40 -0.22 1.31 0.47 -0.31 0.00 0.00 175.10 176.75 1hcy n ASP 244 N -0.41 2.55 -4.86 4.85 9.92 -1.26 -4.98 116.55 122.36 1hcy n ASP 244 Ca 0.05 1.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.99 1hcy n ASP 244 Cb 0.53 -1.55 -0.06 0.00 -0.64 0.00 0.00 41.12 39.41 1hcy n ASP 244 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1hcy s GLU 245 N -2.70 3.88 0.25 -1.24 2.12 -1.26 -4.47 118.70 115.27 1hcy s GLU 245 Ca 0.69 0.41 -0.25 0.00 0.36 0.00 0.00 54.97 56.17 1hcy s GLU 245 Cb -0.44 -2.64 -0.09 0.00 0.26 0.00 0.00 34.13 31.23 1hcy s GLU 245 CO 0.51 0.30 0.86 -1.17 -0.54 0.00 0.00 175.26 175.22 1hcy s LEU 246 N -2.73 4.47 0.24 2.70 2.96 -0.86 -4.88 118.68 120.58 1hcy s LEU 246 Ca 0.48 1.73 0.09 0.00 -0.22 0.00 0.00 54.13 56.21 1hcy s LEU 246 Cb -0.12 -3.66 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1hcy s LEU 246 CO 0.20 0.07 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.15 1hcy s HIS 247 N -1.39 1.96 -0.59 5.38 3.76 -1.26 -4.78 115.29 118.38 1hcy s HIS 247 Ca 0.43 -0.49 0.24 0.00 -0.15 0.00 0.00 55.06 55.09 1hcy s HIS 247 Cb -0.21 -0.91 0.46 0.00 1.11 0.00 0.00 32.58 33.03 1hcy s HIS 247 CO 0.26 0.49 1.50 -1.49 -0.85 0.00 0.00 174.74 174.64 1hcy h TRP 248 N 2.41 0.00 -0.21 1.40 4.06 -1.98 -3.00 115.95 118.63 1hcy h TRP 248 Ca -0.39 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1hcy h TRP 248 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1hcy h TRP 248 CO 0.75 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 175.23 1hcy n ASP 249 N -2.41 1.48 -4.82 -3.49 5.68 -1.26 -4.85 116.55 106.88 1hcy n ASP 249 Ca 0.04 -1.81 -0.32 0.00 -0.50 0.00 0.00 54.79 52.19 1hcy n ASP 249 Cb 0.47 -0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 1hcy n ASP 249 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1hcy s ARG 250 N -1.72 2.24 0.73 0.11 1.81 -1.13 -5.07 118.95 115.90 1hcy s ARG 250 Ca 0.26 -2.37 -0.11 0.00 -1.72 0.00 0.00 55.73 51.79 1hcy s ARG 250 Cb 0.14 -1.64 0.03 0.00 -0.45 0.00 0.00 34.95 33.03 1hcy s ARG 250 CO 0.20 -0.48 1.09 0.96 -0.68 0.00 0.00 175.30 176.39 1hcy s ILE 251 N -2.89 3.48 -0.59 1.52 -4.36 -1.26 -4.54 121.20 112.56 1hcy s ILE 251 Ca 0.07 0.48 -0.19 0.00 -0.26 0.00 0.00 60.65 60.75 1hcy s ILE 251 Cb -0.01 -3.37 0.09 0.00 1.25 0.00 0.00 42.46 40.43 1hcy s ILE 251 CO 0.05 -0.63 0.72 -0.63 0.24 0.00 0.00 174.94 174.69 1hcy s ILE 252 N -3.25 4.77 0.06 8.37 1.01 0.78 -4.84 121.20 128.10 1hcy s ILE 252 Ca 0.59 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1hcy s ILE 252 Cb -0.12 -4.49 -0.18 0.00 0.01 0.00 0.00 42.46 37.68 1hcy s ILE 252 CO 0.53 -1.12 1.55 0.03 0.00 0.00 0.00 174.94 175.92 1hcy h ARG 253 N 9.21 -0.62 -4.93 2.79 3.08 -1.91 -2.79 114.38 119.20 1hcy h ARG 253 Ca -0.29 0.04 -0.71 0.00 0.07 0.00 0.00 59.98 59.09 1hcy h ARG 253 Cb 1.09 0.14 -0.17 0.00 0.08 0.00 0.00 29.97 31.10 1hcy h ARG 253 CO 1.09 -0.38 1.12 -2.00 -1.07 0.00 0.00 179.97 178.74 1hcy s GLU 254 N -5.74 3.84 0.39 0.04 2.56 -1.26 -1.91 118.70 116.62 1hcy s GLU 254 Ca -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 54.97 52.67 1hcy s GLU 254 Cb 0.04 -5.01 -0.02 0.00 2.00 0.00 0.00 34.13 31.14 1hcy s GLU 254 CO 0.61 -1.79 0.60 0.20 -0.56 0.00 0.00 175.26 174.31 1hcy s GLY 255 N 3.29 1.48 0.21 -1.50 0.00 -1.26 -4.45 107.32 105.08 1hcy s GLY 255 Ca 0.38 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.05 1hcy s GLY 255 CO -0.05 -0.94 0.10 -0.11 0.00 0.00 0.00 173.10 172.11 1hcy s PHE 256 N -2.41 1.26 -0.11 1.90 -0.71 -1.21 -4.73 117.98 111.97 1hcy s PHE 256 Ca 0.44 -1.27 0.02 0.00 -1.04 0.00 0.00 56.93 55.09 1hcy s PHE 256 Cb -0.10 -0.68 0.01 0.00 -1.21 0.00 0.00 43.02 41.05 1hcy s PHE 256 CO 0.36 -0.49 -0.18 0.00 -1.34 0.00 0.00 175.22 173.57 1hcy s ALA 257 N -3.97 1.87 -0.33 1.99 0.00 -1.26 -2.12 121.76 117.93 1hcy s ALA 257 Ca 0.36 -0.83 0.23 0.00 0.00 0.00 0.00 51.96 51.72 1hcy s ALA 257 Cb 0.07 -0.85 0.11 0.00 0.00 0.00 0.00 23.12 22.46 1hcy s ALA 257 CO 0.11 0.00 1.19 -1.00 0.00 0.00 0.00 175.76 176.06 1hcy h PRO 258 N 7.26 0.00 -1.63 0.00 0.13 -1.86 -3.43 132.00 132.46 1hcy h PRO 258 Ca -0.30 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.53 1hcy h PRO 258 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1hcy h PRO 258 CO 0.50 0.00 -0.29 1.28 -0.23 0.00 0.00 178.00 179.26 1hcy n LEU 259 N -2.66 -1.12 -4.80 1.56 4.32 -1.26 -4.91 117.00 108.13 1hcy n LEU 259 Ca 0.01 0.33 -0.29 0.00 -0.02 0.00 0.00 56.01 56.05 1hcy n LEU 259 Cb 0.53 -2.20 -0.06 0.00 -1.62 0.00 0.00 43.42 40.07 1hcy n LEU 259 CO 0.38 -0.68 -0.24 -0.89 -1.22 0.00 0.00 177.39 174.74 1hcy s THR 260 N -2.32 4.57 0.10 -5.08 2.01 -1.26 -2.32 115.64 111.33 1hcy s THR 260 Ca 0.00 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1hcy s THR 260 Cb 0.00 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1hcy s THR 260 CO 0.00 0.02 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.37 1hcy s SER 261 N -2.72 1.80 0.91 3.53 0.01 -1.26 -1.86 113.70 114.11 1hcy s SER 261 Ca 0.30 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1hcy s SER 261 Cb -0.11 -0.05 0.14 0.00 0.21 0.00 0.00 66.02 66.20 1hcy s SER 261 CO 0.23 -0.12 1.15 -0.31 0.41 0.00 0.00 173.24 174.60 1hcy s TYR 262 N -1.77 2.45 -0.11 2.43 1.51 -0.81 -4.66 117.35 116.40 1hcy s TYR 262 Ca 0.04 0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 56.85 1hcy s TYR 262 Cb -0.07 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.30 1hcy s TYR 262 CO 0.02 -2.35 0.04 -0.22 -1.11 0.00 0.00 175.55 171.93 1hcy h LYS 263 N -1.48 0.00 -5.43 -0.62 3.11 -1.90 -3.41 116.57 106.84 1hcy h LYS 263 Ca -0.49 0.00 -0.64 0.00 -2.81 0.00 0.00 60.65 56.71 1hcy h LYS 263 Cb 1.33 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.39 1hcy h LYS 263 CO 0.60 0.09 -0.60 0.71 -2.81 0.00 0.00 179.45 177.44 1hcy s TYR 264 N -1.71 3.19 0.00 1.91 2.02 -1.26 -4.79 117.35 116.72 1hcy s TYR 264 Ca -0.04 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1hcy s TYR 264 Cb 0.00 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1hcy s TYR 264 CO 0.09 0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1hcy n GLY 265 N 3.20 3.35 0.00 0.71 0.00 -1.26 -4.03 105.19 107.16 1hcy n GLY 265 Ca -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1hcy n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcy n GLY 266 N 0.00 1.84 3.83 -0.02 0.00 -1.26 -4.71 105.19 104.87 1hcy n GLY 266 Ca 0.00 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 1hcy n GLY 266 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hcy s GLU 267 N -1.48 3.97 0.16 1.61 2.02 -1.26 -1.92 118.70 121.79 1hcy s GLU 267 Ca 0.00 1.03 -0.34 0.00 0.02 0.00 0.00 54.97 55.68 1hcy s GLU 267 Cb 0.00 -2.14 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 1hcy s GLU 267 CO 0.00 -0.26 1.55 1.19 0.02 0.00 0.00 175.26 177.76 1hcy n PHE 268 N -1.35 2.20 -0.79 1.61 3.72 -0.78 -4.74 117.46 117.34 1hcy n PHE 268 Ca 0.07 0.31 -0.30 0.00 -0.05 0.00 0.00 57.45 57.47 1hcy n PHE 268 Cb 0.54 -2.52 0.17 0.00 -0.94 0.00 0.00 39.48 36.73 1hcy n PHE 268 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1hcy s PRO 269 N 0.85 0.83 0.52 -1.08 0.04 -1.26 -4.78 135.00 130.12 1hcy s PRO 269 Ca 0.79 1.30 0.04 0.00 0.04 0.00 0.00 61.00 63.17 1hcy s PRO 269 Cb -0.70 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1hcy s PRO 269 CO 0.39 -2.67 0.22 0.54 0.04 0.00 0.00 177.00 175.52 1hcy s VAL 270 N -2.67 1.48 -0.05 -0.36 0.11 -1.26 -4.68 120.40 112.96 1hcy s VAL 270 Ca 0.66 -1.72 -0.02 0.00 -2.93 0.00 0.00 61.98 57.98 1hcy s VAL 270 Cb -0.22 -2.19 0.03 0.00 -1.53 0.00 0.00 36.38 32.47 1hcy s VAL 270 CO 0.59 0.00 0.04 -0.60 -3.33 0.00 0.00 175.10 171.79 1hcy s ARG 271 N -4.09 0.16 0.58 1.54 3.52 -0.90 -4.70 118.95 115.05 1hcy s ARG 271 Ca 0.22 0.26 0.39 0.00 -0.13 0.00 0.00 55.73 56.48 1hcy s ARG 271 Cb -0.00 -0.64 2.08 0.00 -1.56 0.00 0.00 34.95 34.83 1hcy s ARG 271 CO 0.13 -0.30 2.19 -1.35 -0.81 0.00 0.00 175.30 175.17 1hcy h PRO 272 N 8.26 0.00 -0.33 5.12 0.11 -1.93 -3.20 132.00 140.03 1hcy h PRO 272 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1hcy h PRO 272 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1hcy h PRO 272 CO 0.22 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.54 1hcy n ASP 273 N -2.89 -1.27 -3.04 -2.05 2.03 -1.26 -4.88 116.55 103.18 1hcy n ASP 273 Ca -0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.06 1hcy n ASP 273 Cb 0.08 -0.03 0.04 0.00 -0.72 0.00 0.00 41.12 40.49 1hcy n ASP 273 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1hcy n ASN 274 N -0.15 -6.14 -4.88 1.67 3.02 -0.80 -4.96 115.26 103.01 1hcy n ASN 274 Ca 0.00 -0.31 -0.30 0.00 -0.03 0.00 0.00 54.58 53.94 1hcy n ASN 274 Cb 0.00 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.24 1hcy n ASN 274 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1hcy s ILE 275 N -3.20 4.78 -0.15 2.41 2.07 -1.18 -4.78 121.20 121.15 1hcy s ILE 275 Ca 0.33 0.63 -0.07 0.00 -1.41 0.00 0.00 60.65 60.14 1hcy s ILE 275 Cb -0.15 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.54 1hcy s ILE 275 CO 0.41 -1.01 0.07 -1.00 -1.91 0.00 0.00 174.94 171.50 1hcy s HIS 276 N -2.99 3.31 -0.02 3.50 3.76 -1.26 -0.15 115.29 121.44 1hcy s HIS 276 Ca 0.52 0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 55.33 1hcy s HIS 276 Cb -0.11 -2.01 -0.08 0.00 1.11 0.00 0.00 32.58 31.49 1hcy s HIS 276 CO 0.50 0.33 2.02 1.19 -0.85 0.00 0.00 174.74 177.92 1hcy n PHE 277 N 3.00 2.40 -3.97 1.40 3.01 -1.26 -4.99 117.46 117.05 1hcy n PHE 277 Ca -0.18 -0.31 -0.28 0.00 1.01 0.00 0.00 57.45 57.69 1hcy n PHE 277 Cb 0.53 -2.78 -0.04 0.00 -0.01 0.00 0.00 39.48 37.18 1hcy n PHE 277 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1hcy s GLU 278 N 4.81 3.32 0.08 -1.08 2.02 -1.26 -4.96 118.70 121.63 1hcy s GLU 278 Ca 0.92 -0.60 -0.31 0.00 0.02 0.00 0.00 54.97 55.00 1hcy s GLU 278 Cb -0.43 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 1hcy s GLU 278 CO 0.41 0.54 1.77 0.34 0.02 0.00 0.00 175.26 178.35 1hcy s ASP 279 N -2.95 6.50 -0.27 -0.19 2.15 -1.26 -4.82 116.67 115.83 1hcy s ASP 279 Ca 0.34 2.62 -0.07 0.00 0.43 0.00 0.00 52.55 55.87 1hcy s ASP 279 Cb -0.12 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1hcy s ASP 279 CO 0.27 -0.96 0.08 0.54 -0.17 0.00 0.00 175.17 174.93 1hcy s VAL 280 N 2.99 4.20 0.28 1.11 0.11 -1.22 -4.75 120.40 123.11 1hcy s VAL 280 Ca 0.79 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 59.15 1hcy s VAL 280 Cb -0.43 -3.05 -0.11 0.00 -1.53 0.00 0.00 36.38 31.26 1hcy s VAL 280 CO 0.35 0.22 1.57 -1.81 -3.33 0.00 0.00 175.10 172.10 1hcy s ASP 281 N 1.57 6.44 0.00 3.54 1.01 -1.08 -2.07 116.67 126.07 1hcy s ASP 281 Ca 0.05 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.19 1hcy s ASP 281 Cb -0.16 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1hcy s ASP 281 CO 0.03 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1hcy n GLY 282 N 2.31 2.97 0.01 0.21 0.00 -1.26 -4.83 105.19 104.59 1hcy n GLY 282 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1hcy n GLY 282 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hcy n VAL 283 N 0.00 0.18 0.00 1.61 0.31 -0.88 -5.09 118.33 114.46 1hcy n VAL 283 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1hcy n VAL 283 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1hcy n VAL 283 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hcy n ALA 284 N -2.57 0.00 -1.73 3.52 0.00 -0.96 -5.08 120.51 113.68 1hcy n ALA 284 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1hcy n ALA 284 Cb 0.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.54 1hcy n ALA 284 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1hcy s HIS 285 N -2.00 2.35 0.12 0.00 3.76 -1.26 -3.46 115.29 114.80 1hcy s HIS 285 Ca 0.00 1.52 0.13 0.00 -0.15 0.00 0.00 55.06 56.55 1hcy s HIS 285 Cb 0.00 -3.50 0.26 0.00 1.11 0.00 0.00 32.58 30.45 1hcy s HIS 285 CO 0.00 -2.29 1.54 0.28 -0.85 0.00 0.00 174.74 173.41 1hcy h VAL 286 N 0.80 1.23 0.00 -0.90 2.07 -1.93 -0.77 116.25 116.75 1hcy h VAL 286 Ca -0.50 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1hcy h VAL 286 Cb 1.30 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1hcy h VAL 286 CO 0.55 0.60 0.00 -0.74 0.02 0.00 0.00 177.57 178.00 1hcy h HIS 287 N 0.00 0.00 0.00 1.57 6.17 -1.97 -2.35 115.15 118.57 1hcy h HIS 287 Ca -0.01 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 1hcy h HIS 287 Cb 1.25 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.18 1hcy h HIS 287 CO 0.00 0.00 -0.01 -0.44 0.71 0.00 0.00 177.93 178.19 1hcy h ASP 288 N 0.00 0.00 0.00 3.26 5.19 -1.51 0.19 116.42 123.55 1hcy h ASP 288 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hcy h ASP 288 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1hcy h ASP 288 CO 0.00 0.01 -0.28 -0.07 -3.12 0.00 0.00 179.24 175.78 1hcy h LEU 289 N 0.00 0.00 -0.93 1.55 3.38 -1.52 -2.61 115.31 115.18 1hcy h LEU 289 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1hcy h LEU 289 Cb 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.68 1hcy h LEU 289 CO 0.00 0.59 -0.44 -0.62 0.09 0.00 0.00 178.44 178.06 1hcy n GLU 290 N -4.40 -0.29 -0.11 1.13 1.02 -1.00 0.13 120.64 117.11 1hcy n GLU 290 Ca -0.04 1.42 -0.10 0.00 -0.02 0.00 0.00 57.16 58.43 1hcy n GLU 290 Cb 0.15 -2.10 -0.02 0.00 -0.02 0.00 0.00 31.44 29.44 1hcy n GLU 290 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1hcy h ILE 291 N 0.00 1.20 -0.36 -3.67 3.07 -0.77 -2.78 117.51 114.20 1hcy h ILE 291 Ca 0.26 -0.64 0.07 0.00 1.55 0.00 0.00 64.86 66.09 1hcy h ILE 291 Cb 0.49 0.98 -0.09 0.00 -0.27 0.00 0.00 36.82 37.93 1hcy h ILE 291 CO -0.91 0.22 -0.38 0.74 -1.05 0.00 0.00 178.15 176.78 1hcy h THR 292 N 0.40 0.17 -1.06 0.16 2.02 0.14 1.03 112.91 115.77 1hcy h THR 292 Ca 0.11 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.60 1hcy h THR 292 Cb 0.23 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1hcy h THR 292 CO -0.01 0.00 0.78 -0.08 0.37 0.00 0.00 175.52 176.59 1hcy h GLU 293 N -0.32 0.00 0.12 6.66 4.81 -0.53 0.11 114.58 125.44 1hcy h GLU 293 Ca 0.15 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.05 1hcy h GLU 293 Cb 0.57 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1hcy h GLU 293 CO -0.53 0.00 -1.69 0.77 -0.73 0.00 0.00 179.01 176.83 1hcy h SER 294 N 0.00 0.41 -0.73 1.04 0.02 0.12 -0.92 113.55 113.49 1hcy h SER 294 Ca 0.50 -0.66 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1hcy h SER 294 Cb 2.07 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 64.43 1hcy h SER 294 CO -0.01 1.56 0.48 0.03 -1.14 0.00 0.00 176.83 177.76 1hcy h ARG 295 N 0.07 0.76 0.67 3.45 3.08 0.18 -1.74 114.38 120.84 1hcy h ARG 295 Ca -0.31 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1hcy h ARG 295 Cb 2.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.92 1hcy h ARG 295 CO 0.14 0.50 -0.34 0.82 -1.07 0.00 0.00 179.97 180.02 1hcy h ILE 296 N 0.78 0.31 0.00 2.04 1.08 -1.09 -2.40 117.51 118.22 1hcy h ILE 296 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.78 1hcy h ILE 296 Cb 0.24 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1hcy h ILE 296 CO -0.10 0.00 0.00 1.41 -0.69 0.00 0.00 178.15 178.77 1hcy n HIS 297 N -5.49 0.00 0.53 1.37 8.25 -0.36 -0.02 115.22 119.49 1hcy n HIS 297 Ca -0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.40 1hcy n HIS 297 Cb 0.38 -0.24 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 1hcy n HIS 297 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1hcy n GLU 298 N -1.24 1.30 -0.07 -0.41 2.13 -0.68 -3.08 120.64 118.58 1hcy n GLU 298 Ca 0.02 -0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.65 1hcy n GLU 298 Cb 0.03 -1.30 -0.12 0.00 0.27 0.00 0.00 31.44 30.31 1hcy n GLU 298 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hcy h ALA 299 N 2.06 0.04 -0.65 4.31 0.00 -0.21 -1.60 119.26 123.22 1hcy h ALA 299 Ca 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 54.91 54.45 1hcy h ALA 299 Cb 0.50 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1hcy h ALA 299 CO 0.00 0.11 0.07 0.82 0.00 0.00 0.00 179.25 180.25 1hcy h ILE 300 N -1.00 0.52 0.00 0.00 2.04 -1.56 0.17 117.51 117.68 1hcy h ILE 300 Ca -0.05 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1hcy h ILE 300 Cb 1.01 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1hcy h ILE 300 CO -0.03 0.03 -0.27 0.44 0.00 0.00 0.00 178.15 178.33 1hcy h ASP 301 N 0.18 0.00 0.02 1.72 3.32 -1.53 -3.29 116.42 116.84 1hcy h ASP 301 Ca 0.35 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 1hcy h ASP 301 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1hcy h ASP 301 CO -0.50 0.27 -0.32 0.45 -1.72 0.00 0.00 179.24 177.41 1hcy h HIS 302 N 0.00 0.28 0.00 4.55 3.86 0.07 -3.48 115.15 120.43 1hcy h HIS 302 Ca -0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1hcy h HIS 302 Cb 0.70 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1hcy h HIS 302 CO 0.00 1.02 0.00 0.41 0.86 0.00 0.00 177.93 180.22 1hcy n GLY 303 N 1.23 1.76 3.19 2.45 0.00 -0.94 -5.11 105.19 107.77 1hcy n GLY 303 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1hcy n GLY 303 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hcy s TYR 304 N -1.65 1.04 0.00 1.61 -0.85 -1.24 -1.79 117.35 114.47 1hcy s TYR 304 Ca 0.00 -0.75 -0.05 0.00 -0.52 0.00 0.00 57.07 55.76 1hcy s TYR 304 Cb 0.00 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 1hcy s TYR 304 CO 0.00 -0.03 0.23 0.42 -1.52 0.00 0.00 175.55 174.65 1hcy s ILE 305 N -2.93 5.36 -0.16 -3.49 1.01 0.78 -4.51 121.20 117.26 1hcy s ILE 305 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1hcy s ILE 305 Cb 0.00 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1hcy s ILE 305 CO -0.01 0.34 -0.12 0.42 0.00 0.00 0.00 174.94 175.58 1hcy s THR 306 N -1.31 2.99 0.00 2.92 -4.23 -1.26 -0.88 115.64 113.86 1hcy s THR 306 Ca 0.27 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1hcy s THR 306 Cb -0.13 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1hcy s THR 306 CO 0.17 0.50 0.00 -0.90 -0.54 0.00 0.00 174.62 173.85 1hcy n ASP 307 N 4.04 0.00 0.21 3.99 5.68 0.43 -4.70 116.55 126.20 1hcy n ASP 307 Ca -0.19 -0.62 0.14 0.00 -0.50 0.00 0.00 54.79 53.63 1hcy n ASP 307 Cb 0.52 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.27 1hcy n ASP 307 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1hcy h SER 308 N 0.00 0.00 0.52 -1.12 0.02 -1.88 0.11 113.55 111.20 1hcy h SER 308 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1hcy h SER 308 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1hcy h SER 308 CO 0.00 0.00 -1.58 0.47 -1.14 0.00 0.00 176.83 174.58 1hcy n ASP 309 N -4.13 0.58 0.00 3.07 8.00 -1.26 -4.90 116.55 117.90 1hcy n ASP 309 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1hcy n ASP 309 Cb 0.24 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 1hcy n ASP 309 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hcy n GLY 310 N 1.38 1.49 3.73 0.44 0.00 0.36 -5.06 105.19 107.53 1hcy n GLY 310 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1hcy n GLY 310 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hcy s HIS 311 N -2.00 3.72 -0.14 1.61 3.76 -1.25 -4.85 115.29 116.15 1hcy s HIS 311 Ca 0.00 1.61 -0.17 0.00 -0.15 0.00 0.00 55.06 56.35 1hcy s HIS 311 Cb 0.00 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 1hcy s HIS 311 CO 0.00 0.15 0.43 0.95 -0.85 0.00 0.00 174.74 175.42 1hcy s THR 312 N 0.36 5.21 -0.25 1.30 -4.23 -1.26 -0.42 115.64 116.35 1hcy s THR 312 Ca 0.45 0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 61.73 1hcy s THR 312 Cb -0.21 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 1hcy s THR 312 CO 0.26 0.33 0.07 0.27 -0.54 0.00 0.00 174.62 175.01 1hcy s ILE 313 N 0.68 4.29 0.42 2.99 -5.25 -0.06 -4.94 121.20 119.32 1hcy s ILE 313 Ca 0.23 -0.20 -0.24 0.00 -0.99 0.00 0.00 60.65 59.46 1hcy s ILE 313 Cb -0.15 -3.01 -0.08 0.00 2.95 0.00 0.00 42.46 42.17 1hcy s ILE 313 CO 0.09 0.33 1.11 -0.62 -1.79 0.00 0.00 174.94 174.06 1hcy s ASP 314 N 1.61 6.53 -0.03 4.36 -1.08 -1.26 -0.16 116.67 126.64 1hcy s ASP 314 Ca 0.06 2.19 0.04 0.00 -0.52 0.00 0.00 52.55 54.33 1hcy s ASP 314 Cb -0.15 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.77 1hcy s ASP 314 CO 0.04 -0.66 0.90 2.30 0.52 0.00 0.00 175.17 178.26 1hcy n ILE 315 N -0.16 0.55 -2.09 4.11 -5.35 -0.74 -4.87 119.36 110.82 1hcy n ILE 315 Ca 0.05 -0.64 -0.39 0.00 -0.27 0.00 0.00 62.75 61.51 1hcy n ILE 315 Cb 0.48 0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1hcy n ILE 315 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1hcy n ARG 316 N -0.38 4.50 -3.83 6.28 3.00 -1.23 -4.33 116.66 120.68 1hcy n ARG 316 Ca 0.03 -3.64 -0.06 0.00 -0.00 0.00 0.00 57.85 54.18 1hcy n ARG 316 Cb 0.57 -2.52 0.01 0.00 0.00 0.00 0.00 32.46 30.51 1hcy n ARG 316 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1hcy s GLN 317 N -2.11 1.74 0.49 -0.14 -2.07 -1.26 -5.01 119.66 111.30 1hcy s GLN 317 Ca 0.51 -1.07 0.14 0.00 -1.82 0.00 0.00 55.36 53.12 1hcy s GLN 317 Cb 0.22 0.52 1.16 0.00 -1.09 0.00 0.00 33.01 33.82 1hcy s GLN 317 CO -0.13 -0.81 2.11 -1.00 -1.32 0.00 0.00 175.29 174.14 1hcy h PRO 318 N 2.00 0.10 0.00 9.60 0.13 -2.00 0.60 132.00 142.44 1hcy h PRO 318 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1hcy h PRO 318 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1hcy h PRO 318 CO 0.33 0.09 0.00 1.63 -0.23 0.00 0.00 178.00 179.83 1hcy n LYS 319 N -4.50 0.14 0.00 0.86 4.76 -1.26 -4.29 118.16 113.87 1hcy n LYS 319 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1hcy n LYS 319 Cb 0.10 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1hcy n LYS 319 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hcy n GLY 320 N 1.31 -1.47 0.30 0.72 0.00 0.21 -1.50 105.19 104.75 1hcy n GLY 320 Ca 0.09 0.32 0.09 0.00 0.00 0.00 0.00 46.02 46.52 1hcy n GLY 320 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hcy h ILE 321 N 0.00 0.00 0.00 -0.61 2.10 -1.75 -0.91 117.51 116.34 1hcy h ILE 321 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.79 1hcy h ILE 321 Cb 0.00 0.39 -0.02 0.00 -1.09 0.00 0.00 36.82 36.10 1hcy h ILE 321 CO 0.00 0.00 -0.98 1.05 -1.08 0.00 0.00 178.15 177.14 1hcy h GLU 322 N 0.00 0.00 -0.87 2.19 4.11 -1.55 -2.84 114.58 115.62 1hcy h GLU 322 Ca 0.00 0.00 0.25 0.00 0.07 0.00 0.00 59.36 59.68 1hcy h GLU 322 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1hcy h GLU 322 CO 0.00 0.63 0.66 -0.07 0.07 0.00 0.00 179.01 180.30 1hcy h LEU 323 N -1.00 0.00 -1.05 3.06 3.38 -0.38 0.98 115.31 120.29 1hcy h LEU 323 Ca -0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1hcy h LEU 323 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1hcy h LEU 323 CO -0.13 0.00 -0.41 -0.07 0.09 0.00 0.00 178.44 177.92 1hcy h LEU 324 N 0.00 0.13 -0.26 1.67 3.38 -1.18 -2.54 115.31 116.50 1hcy h LEU 324 Ca 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1hcy h LEU 324 Cb 1.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1hcy h LEU 324 CO -0.00 0.53 0.00 1.23 0.09 0.00 0.00 178.44 180.28 1hcy h GLY 325 N 1.24 0.00 1.84 0.83 0.00 0.12 0.11 103.07 107.21 1hcy h GLY 325 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 1hcy h GLY 325 CO 0.06 0.00 -0.92 -0.55 0.00 0.00 0.00 176.54 175.13 1hcy h ASP 326 N 0.00 0.18 0.25 0.19 3.32 -0.77 -3.03 116.42 116.56 1hcy h ASP 326 Ca 0.00 -0.16 -0.34 0.00 0.02 0.00 0.00 57.03 56.55 1hcy h ASP 326 Cb 0.80 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.32 1hcy h ASP 326 CO 0.00 1.00 -1.59 0.16 -1.72 0.00 0.00 179.24 177.09 1hcy h ILE 327 N 0.07 1.14 -0.04 0.35 3.07 -1.39 -2.72 117.51 117.99 1hcy h ILE 327 Ca -0.04 -2.64 -0.17 0.00 1.55 0.00 0.00 64.86 63.57 1hcy h ILE 327 Cb 1.57 2.92 0.01 0.00 -0.27 0.00 0.00 36.82 41.06 1hcy h ILE 327 CO 0.13 0.83 -0.63 0.40 -1.05 0.00 0.00 178.15 177.84 1hcy h ILE 328 N 0.13 1.39 0.02 0.16 2.04 -0.89 -3.34 117.51 117.01 1hcy h ILE 328 Ca -0.29 -2.02 -0.21 0.00 1.00 0.00 0.00 64.86 63.34 1hcy h ILE 328 Cb 2.14 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 40.63 1hcy h ILE 328 CO 0.23 0.60 -0.92 -0.08 0.00 0.00 0.00 178.15 177.98 1hcy h GLU 329 N 0.05 0.18 -3.55 2.37 4.81 -1.72 -3.01 114.58 113.70 1hcy h GLU 329 Ca -0.07 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1hcy h GLU 329 Cb 1.31 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1hcy h GLU 329 CO 0.13 0.98 -0.59 -1.13 -0.73 0.00 0.00 179.01 177.67 1hcy n SER 330 N -3.61 -3.53 -2.74 1.04 3.41 -1.25 -3.10 113.62 103.83 1hcy n SER 330 Ca -0.04 0.75 -0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1hcy n SER 330 Cb 0.84 -2.95 -0.01 0.00 -0.26 0.00 0.00 64.21 61.83 1hcy n SER 330 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1hcy n SER 331 N 0.82 2.03 -0.45 4.04 3.41 -1.02 -4.93 113.62 117.51 1hcy n SER 331 Ca -0.09 -1.57 0.03 0.00 -0.26 0.00 0.00 58.87 56.98 1hcy n SER 331 Cb 0.14 0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1hcy n SER 331 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hcy n LYS 332 N -0.54 1.55 0.00 4.33 4.76 -1.04 -2.97 118.16 124.25 1hcy n LYS 332 Ca -0.04 -0.71 0.14 0.00 -2.87 0.00 0.00 58.31 54.84 1hcy n LYS 332 Cb 0.17 -1.25 0.59 0.00 -1.84 0.00 0.00 35.03 32.70 1hcy n LYS 332 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1hcy n TYR 333 N 0.08 0.00 -1.60 2.13 4.02 -1.26 -4.90 117.16 115.62 1hcy n TYR 333 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.53 1hcy n TYR 333 Cb 0.22 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1hcy n TYR 333 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1hcy n SER 334 N -0.10 1.21 0.01 7.72 2.88 -1.16 -4.87 113.62 119.31 1hcy n SER 334 Ca 0.19 1.09 -0.22 0.00 -1.33 0.00 0.00 58.87 58.60 1hcy n SER 334 Cb 0.31 -1.32 -0.14 0.00 -0.75 0.00 0.00 64.21 62.31 1hcy n SER 334 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hcy h SER 335 N 1.70 0.40 -2.63 -3.46 0.02 -1.90 -3.39 113.55 104.29 1hcy h SER 335 Ca -0.43 -0.90 -0.60 0.00 -0.84 0.00 0.00 61.79 59.02 1hcy h SER 335 Cb 1.34 -0.13 -0.41 0.00 0.14 0.00 0.00 62.40 63.34 1hcy h SER 335 CO 0.58 1.79 -0.72 -3.20 -1.14 0.00 0.00 176.83 174.14 1hcy n ASN 336 N -3.65 2.08 0.09 3.07 2.85 -1.26 -4.48 115.26 113.96 1hcy n ASN 336 Ca -0.30 -3.02 0.11 0.00 -0.11 0.00 0.00 54.58 51.26 1hcy n ASN 336 Cb 1.00 -0.68 0.44 0.00 1.24 0.00 0.00 39.78 41.78 1hcy n ASN 336 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1hcy n VAL 337 N 1.88 0.87 0.72 3.44 3.14 -1.26 -2.43 118.33 124.68 1hcy n VAL 337 Ca 0.24 0.22 0.13 0.00 -2.96 0.00 0.00 64.34 61.98 1hcy n VAL 337 Cb 0.41 -1.10 0.47 0.00 -1.06 0.00 0.00 33.84 32.55 1hcy n VAL 337 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1hcy n GLN 338 N -2.04 0.18 -0.06 1.45 7.27 -1.26 -2.75 117.38 120.18 1hcy n GLN 338 Ca 0.03 0.16 -0.12 0.00 0.07 0.00 0.00 57.00 57.14 1hcy n GLN 338 Cb 0.22 -1.72 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 1hcy n GLN 338 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1hcy n TYR 339 N -2.04 0.00 1.93 3.69 9.36 -1.02 -4.58 117.16 124.50 1hcy n TYR 339 Ca 0.06 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.44 1hcy n TYR 339 Cb 0.40 -0.44 0.92 0.00 -0.63 0.00 0.00 39.34 39.59 1hcy n TYR 339 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1hcy n TYR 340 N -3.87 0.00 -0.12 2.98 4.01 -1.10 -4.93 117.16 114.13 1hcy n TYR 340 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1hcy n TYR 340 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1hcy n TYR 340 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hcy n GLY 341 N 0.99 2.60 2.38 2.72 0.00 -1.11 -4.39 105.19 108.38 1hcy n GLY 341 Ca 0.23 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1hcy n GLY 341 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hcy n SER 342 N 1.32 -0.54 -0.23 1.61 2.88 -1.26 -4.75 113.62 112.65 1hcy n SER 342 Ca 0.00 -3.10 -0.07 0.00 -1.33 0.00 0.00 58.87 54.37 1hcy n SER 342 Cb 0.00 0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 63.69 1hcy n SER 342 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1hcy h LEU 343 N 3.43 -1.39 0.37 2.46 6.46 -1.76 0.10 115.31 124.97 1hcy h LEU 343 Ca 0.01 0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1hcy h LEU 343 Cb 0.98 0.66 -0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1hcy h LEU 343 CO 0.39 -0.32 -0.21 -0.74 -0.62 0.00 0.00 178.44 176.94 1hcy h HIS 344 N -0.18 -0.57 0.95 1.25 2.76 -1.69 -0.36 115.15 117.31 1hcy h HIS 344 Ca 0.21 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1hcy h HIS 344 Cb 0.56 0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.73 1hcy h HIS 344 CO -0.71 -0.32 -0.45 -0.91 -1.30 0.00 0.00 177.93 174.23 1hcy h ASN 345 N -0.54 -1.08 -1.07 3.26 2.35 -1.45 -0.94 115.58 116.11 1hcy h ASN 345 Ca -0.05 0.04 0.31 0.00 -0.55 0.00 0.00 56.30 56.05 1hcy h ASN 345 Cb 0.43 0.28 -0.12 0.00 0.05 0.00 0.00 38.32 38.95 1hcy h ASN 345 CO 0.06 -0.75 0.65 0.74 -1.65 0.00 0.00 177.43 176.48 1hcy h THR 346 N -1.31 0.38 0.00 2.81 2.02 -0.83 0.56 112.91 116.53 1hcy h THR 346 Ca -0.13 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1hcy h THR 346 Cb 0.97 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1hcy h THR 346 CO 0.21 0.06 -0.06 0.00 0.37 0.00 0.00 175.52 176.11 1hcy h ALA 347 N 1.72 1.61 0.10 6.16 0.00 0.21 0.77 119.26 129.83 1hcy h ALA 347 Ca 0.69 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 1hcy h ALA 347 Cb 1.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1hcy h ALA 347 CO -0.46 0.08 -0.05 0.45 0.00 0.00 0.00 179.25 179.27 1hcy h HIS 348 N 0.00 -0.12 -0.82 0.00 3.86 0.13 -2.57 115.15 115.62 1hcy h HIS 348 Ca -0.00 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.34 1hcy h HIS 348 Cb 0.13 0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 1hcy h HIS 348 CO 0.00 -0.08 0.54 0.28 0.86 0.00 0.00 177.93 179.53 1hcy h VAL 349 N -0.77 0.84 -0.36 2.45 2.07 -1.34 -0.74 116.25 118.41 1hcy h VAL 349 Ca -0.01 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1hcy h VAL 349 Cb 0.10 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1hcy h VAL 349 CO 0.02 0.11 -0.06 -0.03 0.02 0.00 0.00 177.57 177.63 1hcy h MET 350 N 0.59 0.59 0.00 1.57 -1.53 0.51 -2.96 114.93 113.70 1hcy h MET 350 Ca 0.41 -0.16 0.00 0.00 -3.44 0.00 0.00 59.70 56.51 1hcy h MET 350 Cb 0.73 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.71 1hcy h MET 350 CO -0.16 0.66 -0.08 -0.11 0.14 0.00 0.00 176.91 177.36 1hcy n LEU 351 N -4.22 0.62 0.06 3.39 0.00 -0.29 -4.11 117.00 112.44 1hcy n LEU 351 Ca 0.01 0.51 -0.19 0.00 0.00 0.00 0.00 56.01 56.34 1hcy n LEU 351 Cb 0.30 -0.34 -0.14 0.00 0.00 0.00 0.00 43.42 43.23 1hcy n LEU 351 CO 0.40 -0.12 -0.44 1.23 0.00 0.00 0.00 177.39 178.47 1hcy h GLY 352 N 4.64 0.34 -1.46 -3.96 0.00 -1.39 -3.18 103.07 98.07 1hcy h GLY 352 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1hcy h GLY 352 CO 0.00 0.77 0.00 0.54 0.00 0.00 0.00 176.54 177.85 1hcy n ARG 353 N -3.49 1.92 0.00 4.80 5.12 -1.20 -3.93 116.66 119.87 1hcy n ARG 353 Ca -0.20 -1.43 0.00 0.00 -1.93 0.00 0.00 57.85 54.29 1hcy n ARG 353 Cb 1.06 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 1hcy n ARG 353 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1hcy n GLN 354 N 0.66 0.00 0.09 5.56 1.13 -1.20 0.29 117.38 123.90 1hcy n GLN 354 Ca 0.13 0.22 0.12 0.00 -1.94 0.00 0.00 57.00 55.54 1hcy n GLN 354 Cb 0.33 -1.62 0.18 0.00 0.11 0.00 0.00 30.24 29.24 1hcy n GLN 354 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1hcy h GLY 355 N 0.00 0.00 -5.00 1.08 0.00 -1.84 -3.44 103.07 93.86 1hcy h GLY 355 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1hcy h GLY 355 CO 0.00 0.00 -0.13 -0.35 0.00 0.00 0.00 176.54 176.06 1hcy s ASP 356 N -4.61 -0.28 -0.03 0.19 2.15 0.82 -4.97 116.67 109.94 1hcy s ASP 356 Ca 0.06 -0.33 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 1hcy s ASP 356 Cb 0.12 0.37 -0.32 0.00 -0.30 0.00 0.00 42.92 42.78 1hcy s ASP 356 CO 0.71 -0.01 0.79 -0.65 -0.17 0.00 0.00 175.17 175.84 1hcy h PRO 357 N 4.21 0.42 -0.01 4.34 0.11 -1.74 -3.20 132.00 136.14 1hcy h PRO 357 Ca -0.01 -0.72 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1hcy h PRO 357 Cb 1.17 0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1hcy h PRO 357 CO -0.11 1.35 -0.18 0.72 -0.21 0.00 0.00 178.00 179.56 1hcy n HIS 358 N -3.73 0.00 -2.27 0.65 8.25 -1.26 -2.64 115.22 114.22 1hcy n HIS 358 Ca -0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.20 1hcy n HIS 358 Cb 1.04 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 32.06 1hcy n HIS 358 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hcy n GLY 359 N 1.30 0.22 0.11 -1.41 0.00 -1.21 -4.93 105.19 99.27 1hcy n GLY 359 Ca 0.14 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1hcy n GLY 359 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hcy h LYS 360 N -0.49 0.00 0.00 1.61 1.57 -1.90 -3.35 116.57 114.01 1hcy h LYS 360 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1hcy h LYS 360 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1hcy h LYS 360 CO 0.15 0.07 -1.01 1.19 -0.57 0.00 0.00 179.45 179.28 1hcy n PHE 361 N -2.74 0.00 -3.33 -1.35 3.72 -1.26 -5.02 117.46 107.48 1hcy n PHE 361 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 1hcy n PHE 361 Cb 0.61 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 39.08 1hcy n PHE 361 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1hcy n ASN 362 N -1.57 -6.53 -4.91 4.37 5.15 -1.26 -4.99 115.26 105.53 1hcy n ASN 362 Ca 0.01 -0.66 -0.27 0.00 -0.60 0.00 0.00 54.58 53.05 1hcy n ASN 362 Cb 0.26 -4.70 -0.00 0.00 -0.53 0.00 0.00 39.78 34.81 1hcy n ASN 362 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1hcy s LEU 363 N -5.35 3.68 0.00 1.20 2.96 -1.26 -5.09 118.68 114.82 1hcy s LEU 363 Ca 0.36 0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 55.11 1hcy s LEU 363 Cb -0.07 -3.84 0.08 0.00 0.50 0.00 0.00 46.19 42.86 1hcy s LEU 363 CO 0.77 -0.53 0.44 -0.81 -1.32 0.00 0.00 176.35 174.90 1hcy n PRO 364 N -2.13 -0.53 -1.14 0.98 -0.04 -1.26 -5.04 135.00 125.85 1hcy n PRO 364 Ca 0.00 -0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 62.48 1hcy n PRO 364 Cb 0.55 -0.47 0.21 0.00 -0.04 0.00 0.00 33.50 33.75 1hcy n PRO 364 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1hcy s PRO 365 N -3.97 -0.39 0.38 0.54 0.02 -1.26 -4.76 135.00 125.57 1hcy s PRO 365 Ca 0.25 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.49 1hcy s PRO 365 Cb -0.01 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1hcy s PRO 365 CO 0.18 -3.21 0.02 0.41 -0.33 0.00 0.00 177.00 174.06 1hcy n GLY 366 N -1.06 3.68 0.40 0.52 0.00 -1.26 -4.62 105.19 102.85 1hcy n GLY 366 Ca 0.09 -2.33 0.22 0.00 0.00 0.00 0.00 46.02 44.00 1hcy n GLY 366 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hcy h VAL 367 N 1.17 0.45 -0.00 1.61 3.04 -1.87 0.90 116.25 121.54 1hcy h VAL 367 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1hcy h VAL 367 Cb 0.96 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1hcy h VAL 367 CO 0.52 0.00 -0.18 0.80 -1.01 0.00 0.00 177.57 177.70 1hcy n MET 368 N -3.90 0.53 -1.34 4.17 0.00 -1.26 -3.15 117.12 112.18 1hcy n MET 368 Ca 0.09 -0.22 -0.35 0.00 -0.00 0.00 0.00 57.70 57.23 1hcy n MET 368 Cb 0.68 -1.50 0.08 0.00 0.00 0.00 0.00 33.22 32.48 1hcy n MET 368 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1hcy n GLU 369 N -1.04 2.66 -3.64 2.12 1.02 0.31 -4.67 120.64 117.40 1hcy n GLU 369 Ca 0.12 -3.24 -0.10 0.00 -0.02 0.00 0.00 57.16 53.92 1hcy n GLU 369 Cb 0.30 -2.26 -0.07 0.00 -0.02 0.00 0.00 31.44 29.39 1hcy n GLU 369 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1hcy s HIS 370 N -3.76 -0.73 0.11 -0.32 3.76 -1.24 -4.55 115.29 108.55 1hcy s HIS 370 Ca 0.63 1.67 0.19 0.00 -0.15 0.00 0.00 55.06 57.40 1hcy s HIS 370 Cb 0.50 0.38 0.62 0.00 1.11 0.00 0.00 32.58 35.19 1hcy s HIS 370 CO -0.03 -0.36 1.70 0.74 -0.85 0.00 0.00 174.74 175.95 1hcy h PHE 371 N 5.30 0.00 -0.10 1.40 0.04 -1.89 -2.19 116.94 119.50 1hcy h PHE 371 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1hcy h PHE 371 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1hcy h PHE 371 CO 0.27 0.37 0.00 -0.85 -0.60 0.00 0.00 178.31 177.50 1hcy n GLU 372 N -3.46 1.28 0.00 1.51 0.28 -1.26 -3.91 120.64 115.09 1hcy n GLU 372 Ca 0.00 -0.44 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 1hcy n GLU 372 Cb 0.53 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.22 1hcy n GLU 372 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1hcy n THR 373 N -0.22 0.03 0.09 3.84 -1.04 -1.06 -4.79 114.28 111.13 1hcy n THR 373 Ca 0.08 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 1hcy n THR 373 Cb 0.13 1.49 -0.14 0.00 -1.82 0.00 0.00 70.33 69.99 1hcy n THR 373 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hcy h ALA 374 N 0.00 0.18 0.00 2.41 0.00 -1.35 -2.82 119.26 117.68 1hcy h ALA 374 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1hcy h ALA 374 Cb 0.70 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1hcy h ALA 374 CO 0.00 1.06 0.00 2.41 0.00 0.00 0.00 179.25 182.72 1hcy n THR 375 N -3.48 0.00 -0.03 0.00 -1.04 -1.26 -2.36 114.28 106.10 1hcy n THR 375 Ca -0.10 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.77 1hcy n THR 375 Cb 1.02 -0.91 -0.12 0.00 -1.82 0.00 0.00 70.33 68.51 1hcy n THR 375 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1hcy h ARG 376 N 0.00 0.11 -6.45 -2.82 -0.00 -1.67 -3.42 114.38 100.13 1hcy h ARG 376 Ca 0.00 -0.12 -0.54 0.00 -0.50 0.00 0.00 59.98 58.83 1hcy h ARG 376 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.00 1hcy h ARG 376 CO 0.00 0.89 0.61 0.34 0.00 0.00 0.00 179.97 181.80 1hcy s ASP 377 N -6.21 7.05 0.46 7.04 2.15 -0.99 -4.88 116.67 121.28 1hcy s ASP 377 Ca -0.17 2.01 0.13 0.00 0.43 0.00 0.00 52.55 54.95 1hcy s ASP 377 Cb -0.00 -2.57 1.08 0.00 -0.30 0.00 0.00 42.92 41.12 1hcy s ASP 377 CO 0.72 -0.51 2.05 -0.65 -0.17 0.00 0.00 175.17 176.61 1hcy h PRO 378 N 6.96 0.29 0.00 4.34 0.11 -1.87 -0.90 132.00 140.94 1hcy h PRO 378 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1hcy h PRO 378 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1hcy h PRO 378 CO 0.83 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 1hcy n SER 379 N -4.48 0.00 -0.01 -2.05 3.41 -1.26 -2.65 113.62 106.58 1hcy n SER 379 Ca 0.04 -0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 1hcy n SER 379 Cb 0.22 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1hcy n SER 379 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1hcy h PHE 380 N 0.00 0.13 0.00 7.33 3.04 -1.43 0.31 116.94 126.31 1hcy h PHE 380 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1hcy h PHE 380 Cb 0.07 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1hcy h PHE 380 CO 0.00 0.12 0.00 0.74 -2.02 0.00 0.00 178.31 177.15 1hcy h PHE 381 N 0.10 0.00 -0.29 0.41 -1.00 -1.72 -2.48 116.94 111.96 1hcy h PHE 381 Ca 0.04 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.67 1hcy h PHE 381 Cb 0.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1hcy h PHE 381 CO -0.06 0.00 -0.39 -0.09 -1.61 0.00 0.00 178.31 176.16 1hcy h ARG 382 N 0.00 0.78 -0.10 1.51 2.43 -1.41 -1.46 114.38 116.12 1hcy h ARG 382 Ca 0.00 -0.45 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 1hcy h ARG 382 Cb 0.81 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1hcy h ARG 382 CO 0.00 1.08 -0.51 1.25 -1.51 0.00 0.00 179.97 180.28 1hcy h LEU 383 N 0.54 0.31 -0.29 3.80 5.85 -0.30 -2.22 115.31 123.00 1hcy h LEU 383 Ca 0.03 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1hcy h LEU 383 Cb 0.98 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1hcy h LEU 383 CO 0.09 0.76 -0.50 1.41 -0.34 0.00 0.00 178.44 179.86 1hcy n HIS 384 N -3.95 0.00 0.05 1.25 -0.00 -0.94 -2.25 115.22 109.38 1hcy n HIS 384 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.58 1hcy n HIS 384 Cb 0.55 -0.13 -0.08 0.00 -0.00 0.00 0.00 29.99 30.32 1hcy n HIS 384 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1hcy h LYS 385 N 0.70 -0.19 0.09 -0.41 3.64 -0.97 0.01 116.57 119.43 1hcy h LYS 385 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1hcy h LYS 385 Cb 0.53 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1hcy h LYS 385 CO 0.00 0.25 -0.37 -0.92 -2.27 0.00 0.00 179.45 176.13 1hcy h TYR 386 N -0.76 -1.08 -0.87 1.91 5.03 -1.59 0.19 116.97 119.80 1hcy h TYR 386 Ca -0.02 0.03 0.18 0.00 2.58 0.00 0.00 58.73 61.50 1hcy h TYR 386 Cb 0.53 0.46 -0.11 0.00 1.55 0.00 0.00 36.73 39.16 1hcy h TYR 386 CO 0.08 -0.42 0.41 0.52 -1.32 0.00 0.00 178.16 177.43 1hcy h MET 387 N -0.53 0.49 0.06 1.82 2.86 -1.50 -2.56 114.93 115.56 1hcy h MET 387 Ca -0.00 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1hcy h MET 387 Cb 0.54 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 1hcy h MET 387 CO -0.20 0.33 -0.40 0.22 1.06 0.00 0.00 176.91 177.91 1hcy h ASP 388 N 0.51 -1.20 -0.12 1.22 3.58 0.13 -1.39 116.42 119.14 1hcy h ASP 388 Ca 0.51 0.14 -0.06 0.00 0.42 0.00 0.00 57.03 58.04 1hcy h ASP 388 Cb 0.85 0.46 -0.03 0.00 1.72 0.00 0.00 39.33 42.33 1hcy h ASP 388 CO -0.44 -0.46 0.07 0.59 -2.88 0.00 0.00 179.24 176.12 1hcy n ASN 389 N -5.45 2.83 -0.11 2.28 4.13 0.38 -2.16 115.26 117.16 1hcy n ASN 389 Ca -0.06 -2.20 -0.22 0.00 1.68 0.00 0.00 54.58 53.78 1hcy n ASN 389 Cb 0.37 -0.54 -0.12 0.00 -1.54 0.00 0.00 39.78 37.95 1hcy n ASN 389 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1hcy n ILE 390 N 0.25 1.54 -0.04 2.41 2.08 -0.55 -3.42 119.36 121.62 1hcy n ILE 390 Ca 0.07 -0.49 -0.13 0.00 0.56 0.00 0.00 62.75 62.76 1hcy n ILE 390 Cb 0.61 -1.64 -0.08 0.00 -0.75 0.00 0.00 39.64 37.78 1hcy n ILE 390 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1hcy h PHE 391 N -0.36 0.32 -0.15 1.39 0.04 -1.16 -2.94 116.94 114.09 1hcy h PHE 391 Ca -0.58 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.13 1hcy h PHE 391 Cb 1.79 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.87 1hcy h PHE 391 CO 0.00 0.69 0.20 -0.22 -0.60 0.00 0.00 178.31 178.39 1hcy h LYS 392 N -0.14 0.00 -0.12 1.51 3.64 -1.54 0.32 116.57 120.25 1hcy h LYS 392 Ca 0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1hcy h LYS 392 Cb 0.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1hcy h LYS 392 CO 0.03 0.00 0.08 0.87 -2.27 0.00 0.00 179.45 178.16 1hcy h LYS 393 N 0.00 0.00 0.08 1.90 1.57 -1.53 -1.79 116.57 116.80 1hcy h LYS 393 Ca 0.07 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.49 1hcy h LYS 393 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1hcy h LYS 393 CO -0.00 0.00 -2.01 1.58 -0.57 0.00 0.00 179.45 178.45 1hcy n HIS 394 N -4.49 0.97 -0.34 -1.35 -0.00 0.10 -3.96 115.22 106.16 1hcy n HIS 394 Ca -0.00 0.23 0.12 0.00 0.46 0.00 0.00 57.72 58.53 1hcy n HIS 394 Cb 0.20 -1.12 0.31 0.00 -0.12 0.00 0.00 29.99 29.26 1hcy n HIS 394 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1hcy h THR 395 N -0.12 0.69 -0.01 3.57 2.02 -1.15 -1.36 112.91 116.56 1hcy h THR 395 Ca -0.45 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1hcy h THR 395 Cb 1.90 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1hcy h THR 395 CO 0.00 0.13 -0.19 0.47 0.37 0.00 0.00 175.52 176.30 1hcy n ASP 396 N -4.80 1.26 -0.14 4.18 9.92 -0.69 -4.13 116.55 122.15 1hcy n ASP 396 Ca 0.22 -1.12 0.14 0.00 -0.53 0.00 0.00 54.79 53.51 1hcy n ASP 396 Cb 0.56 0.11 0.60 0.00 -0.64 0.00 0.00 41.12 41.75 1hcy n ASP 396 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1hcy n SER 397 N -0.34 0.55 -4.88 -2.24 3.41 -0.51 -4.78 113.62 104.84 1hcy n SER 397 Ca 0.14 -0.66 -0.30 0.00 -0.26 0.00 0.00 58.87 57.78 1hcy n SER 397 Cb 0.36 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1hcy n SER 397 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1hcy s PHE 398 N -2.44 3.61 0.41 7.33 0.08 -1.26 -4.98 117.98 120.74 1hcy s PHE 398 Ca 0.30 1.20 -0.23 0.00 0.12 0.00 0.00 56.93 58.31 1hcy s PHE 398 Cb 0.20 -2.64 -0.09 0.00 -0.57 0.00 0.00 43.02 39.92 1hcy s PHE 398 CO 0.47 -0.60 1.04 -1.25 -0.10 0.00 0.00 175.22 174.78 1hcy s PRO 399 N -5.07 4.13 1.21 0.24 0.04 -1.26 -4.61 135.00 129.67 1hcy s PRO 399 Ca 0.53 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1hcy s PRO 399 Cb -0.11 -2.48 0.31 0.00 0.04 0.00 0.00 34.50 32.27 1hcy s PRO 399 CO 0.52 -0.16 1.01 -2.14 0.04 0.00 0.00 177.00 176.27 1hcy s PRO 400 N -2.61 -1.28 0.14 0.56 0.02 -1.26 -4.91 135.00 125.66 1hcy s PRO 400 Ca 0.59 0.82 -0.02 0.00 0.02 0.00 0.00 61.00 62.41 1hcy s PRO 400 Cb -0.21 -1.51 -0.05 0.00 0.02 0.00 0.00 34.50 32.76 1hcy s PRO 400 CO 0.26 -3.96 0.34 0.71 -0.33 0.00 0.00 177.00 174.01 1hcy s TYR 401 N -2.39 3.49 0.77 6.54 2.02 -1.26 -5.05 117.35 121.47 1hcy s TYR 401 Ca 0.69 0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 57.70 1hcy s TYR 401 Cb -0.26 -1.89 0.07 0.00 -0.40 0.00 0.00 41.96 39.48 1hcy s TYR 401 CO 0.66 0.46 1.12 0.95 -1.57 0.00 0.00 175.55 177.17 1hcy s THR 402 N -1.68 2.11 0.01 -0.71 -4.23 -1.26 -4.91 115.64 104.96 1hcy s THR 402 Ca 0.39 -0.10 -0.26 0.00 -1.18 0.00 0.00 61.69 60.54 1hcy s THR 402 Cb -0.12 -3.00 -0.15 0.00 1.34 0.00 0.00 72.50 70.57 1hcy s THR 402 CO 0.27 -0.00 1.09 -0.74 -0.54 0.00 0.00 174.62 174.69 1hcy h HIS 403 N -0.89 -0.78 0.00 3.99 2.76 -1.98 0.69 115.15 118.94 1hcy h HIS 403 Ca -0.45 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1hcy h HIS 403 Cb 1.32 0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.54 1hcy h HIS 403 CO 0.32 -0.45 0.58 -0.44 -1.30 0.00 0.00 177.93 176.64 1hcy h ASP 404 N -1.17 0.00 0.21 3.26 3.32 -1.95 -1.58 116.42 118.51 1hcy h ASP 404 Ca -0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1hcy h ASP 404 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1hcy h ASP 404 CO 0.14 0.00 -0.10 0.78 -1.72 0.00 0.00 179.24 178.34 1hcy h ASN 405 N 0.00 -0.24 1.76 6.45 -0.26 -1.22 -3.37 115.58 118.70 1hcy h ASN 405 Ca 0.00 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 55.46 1hcy h ASN 405 Cb 1.16 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.47 1hcy h ASN 405 CO 0.00 0.30 -0.24 -0.07 -1.06 0.00 0.00 177.43 176.35 1hcy h LEU 406 N -0.96 0.00 -9.26 1.61 3.38 -1.00 -3.48 115.31 105.60 1hcy h LEU 406 Ca -0.03 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.30 1hcy h LEU 406 Cb 0.46 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1hcy h LEU 406 CO 0.05 0.19 1.03 1.21 0.09 0.00 0.00 178.44 181.01 1hcy n GLU 407 N -3.13 1.94 -3.84 1.13 4.07 -1.09 -4.88 120.64 114.84 1hcy n GLU 407 Ca 0.03 0.71 -0.28 0.00 -0.06 0.00 0.00 57.16 57.56 1hcy n GLU 407 Cb 0.61 -2.51 -0.12 0.00 -0.06 0.00 0.00 31.44 29.36 1hcy n GLU 407 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1hcy s PHE 408 N 3.70 3.28 -0.19 4.31 5.36 -1.26 -5.02 117.98 128.15 1hcy s PHE 408 Ca 0.93 -3.22 -0.41 0.00 -0.96 0.00 0.00 56.93 53.26 1hcy s PHE 408 Cb -0.78 -2.49 -0.19 0.00 -0.34 0.00 0.00 43.02 39.22 1hcy s PHE 408 CO 0.54 -0.58 1.24 0.45 -1.46 0.00 0.00 175.22 175.41 1hcy n SER 409 N 2.05 0.46 0.00 6.13 2.88 -1.26 -2.75 113.62 121.12 1hcy n SER 409 Ca 0.21 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1hcy n SER 409 Cb 0.37 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1hcy n SER 409 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hcy n GLY 410 N 2.41 1.25 2.38 0.46 0.00 -1.26 -4.84 105.19 105.59 1hcy n GLY 410 Ca 0.24 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1hcy n GLY 410 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hcy n MET 411 N 0.00 0.00 -3.70 1.61 2.00 -1.11 -3.98 117.12 111.94 1hcy n MET 411 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1hcy n MET 411 Cb 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 33.22 32.23 1hcy n MET 411 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1hcy s VAL 412 N -0.33 -0.15 0.06 2.03 0.11 -0.83 -3.73 120.40 117.56 1hcy s VAL 412 Ca 0.54 0.15 -0.31 0.00 -2.93 0.00 0.00 61.98 59.43 1hcy s VAL 412 Cb -0.77 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1hcy s VAL 412 CO 0.39 0.06 1.24 -0.69 -3.33 0.00 0.00 175.10 172.77 1hcy s VAL 413 N 1.62 3.90 -0.19 2.04 1.01 -1.00 -2.47 120.40 125.31 1hcy s VAL 413 Ca -0.07 1.36 -0.15 0.00 0.00 0.00 0.00 61.98 63.11 1hcy s VAL 413 Cb -0.10 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1hcy s VAL 413 CO -0.11 0.10 -0.12 0.59 0.00 0.00 0.00 175.10 175.56 1hcy n ASN 414 N 4.03 1.87 -3.78 3.32 3.02 -0.34 -4.93 115.26 118.45 1hcy n ASN 414 Ca 0.10 0.47 -0.10 0.00 -0.03 0.00 0.00 54.58 55.02 1hcy n ASN 414 Cb 0.46 -0.87 -0.05 0.00 -0.61 0.00 0.00 39.78 38.71 1hcy n ASN 414 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1hcy s GLY 415 N -4.74 0.03 -0.04 7.41 0.00 0.47 -5.00 107.32 105.45 1hcy s GLY 415 Ca -0.25 -0.38 -0.00 0.00 0.00 0.00 0.00 44.72 44.08 1hcy s GLY 415 CO 0.41 -0.46 0.01 0.54 0.00 0.00 0.00 173.10 173.59 1hcy s VAL 416 N -3.88 0.18 0.01 1.40 0.11 -1.26 -0.94 120.40 116.02 1hcy s VAL 416 Ca 0.10 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 1hcy s VAL 416 Cb 0.01 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1hcy s VAL 416 CO -0.05 0.17 -0.05 0.00 -3.33 0.00 0.00 175.10 171.84 1hcy s ALA 417 N 1.29 0.39 -0.34 1.54 0.00 0.21 -4.95 121.76 119.90 1hcy s ALA 417 Ca -0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1hcy s ALA 417 Cb -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1hcy s ALA 417 CO -0.02 0.04 0.20 0.42 0.00 0.00 0.00 175.76 176.40 1hcy s ILE 418 N -0.53 4.80 -1.20 0.00 1.09 -1.25 0.32 121.20 124.42 1hcy s ILE 418 Ca -0.03 -0.52 -0.16 0.00 -1.10 0.00 0.00 60.65 58.84 1hcy s ILE 418 Cb -0.04 -3.53 0.14 0.00 -1.06 0.00 0.00 42.46 37.96 1hcy s ILE 418 CO -0.00 -0.07 1.48 -0.62 -0.10 0.00 0.00 174.94 175.63 1hcy s ASP 419 N 1.63 6.95 0.00 3.58 2.15 0.78 -4.84 116.67 126.91 1hcy s ASP 419 Ca 0.04 -2.70 0.00 0.00 0.43 0.00 0.00 52.55 50.32 1hcy s ASP 419 Cb -0.18 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1hcy s ASP 419 CO 0.08 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 1hcy n GLY 420 N 4.68 0.27 3.10 2.66 0.00 -1.26 -2.28 105.19 112.37 1hcy n GLY 420 Ca 0.38 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1hcy n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hcy s GLU 421 N -2.00 0.64 -0.54 1.61 0.41 -1.26 -5.04 118.70 112.52 1hcy s GLU 421 Ca 0.00 -0.85 -0.18 0.00 -0.41 0.00 0.00 54.97 53.53 1hcy s GLU 421 Cb 0.00 -0.47 0.09 0.00 -1.78 0.00 0.00 34.13 31.97 1hcy s GLU 421 CO 0.00 0.09 0.61 -0.51 -0.49 0.00 0.00 175.26 174.96 1hcy s LEU 422 N -1.69 5.35 -0.04 1.80 1.43 -1.26 -4.74 118.68 119.53 1hcy s LEU 422 Ca -0.06 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1hcy s LEU 422 Cb -0.09 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1hcy s LEU 422 CO 0.01 -0.95 -0.01 -0.51 0.23 0.00 0.00 176.35 175.12 1hcy s ILE 423 N 2.42 0.32 -0.05 -0.59 2.07 -1.26 -0.15 121.20 123.95 1hcy s ILE 423 Ca 0.11 0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1hcy s ILE 423 Cb -0.23 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 1hcy s ILE 423 CO 0.08 0.19 -0.24 0.42 -1.91 0.00 0.00 174.94 173.48 1hcy s THR 424 N 1.18 1.99 0.02 4.00 -4.23 0.30 -1.69 115.64 117.21 1hcy s THR 424 Ca -0.07 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1hcy s THR 424 Cb -0.14 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.03 1hcy s THR 424 CO -0.02 0.55 0.02 2.22 -0.54 0.00 0.00 174.62 176.86 1hcy n PHE 425 N 2.87 -0.09 -3.91 3.99 1.16 0.87 -0.74 117.46 121.60 1hcy n PHE 425 Ca -0.17 -0.19 -0.32 0.00 -1.87 0.00 0.00 57.45 54.90 1hcy n PHE 425 Cb 0.52 0.02 -0.13 0.00 -1.61 0.00 0.00 39.48 38.28 1hcy n PHE 425 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1hcy s PHE 426 N -2.32 3.52 0.29 2.97 0.08 -1.26 0.15 117.98 121.40 1hcy s PHE 426 Ca 0.03 -2.91 -0.05 0.00 0.12 0.00 0.00 56.93 54.12 1hcy s PHE 426 Cb 0.00 -2.99 0.07 0.00 -0.57 0.00 0.00 43.02 39.53 1hcy s PHE 426 CO 0.02 -0.88 0.17 -3.47 -0.10 0.00 0.00 175.22 170.95 1hcy n ASP 427 N 3.89 -2.41 -3.76 1.36 -0.08 -0.66 -4.81 116.55 110.08 1hcy n ASP 427 Ca 0.04 -0.17 -0.13 0.00 -1.51 0.00 0.00 54.79 53.02 1hcy n ASP 427 Cb 0.39 -0.19 -0.12 0.00 2.34 0.00 0.00 41.12 43.53 1hcy n ASP 427 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1hcy s GLU 428 N -3.37 0.26 0.12 -0.67 2.12 -1.26 -2.77 118.70 113.13 1hcy s GLU 428 Ca 0.13 0.42 0.07 0.00 0.36 0.00 0.00 54.97 55.95 1hcy s GLU 428 Cb -0.02 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 1hcy s GLU 428 CO 0.11 -0.08 -0.17 0.12 -0.54 0.00 0.00 175.26 174.70 1hcy s PHE 429 N 0.56 1.56 -0.05 5.30 5.36 0.76 -4.93 117.98 126.54 1hcy s PHE 429 Ca -0.04 -0.49 -0.00 0.00 -0.96 0.00 0.00 56.93 55.45 1hcy s PHE 429 Cb -0.05 -0.82 0.03 0.00 -0.34 0.00 0.00 43.02 41.83 1hcy s PHE 429 CO -0.03 0.19 -0.02 -1.14 -1.46 0.00 0.00 175.22 172.76 1hcy s GLN 430 N -2.37 0.62 0.34 10.12 0.74 -1.26 0.25 119.66 128.11 1hcy s GLN 430 Ca 0.08 0.02 0.07 0.00 0.05 0.00 0.00 55.36 55.58 1hcy s GLN 430 Cb -0.07 -0.81 -0.07 0.00 1.10 0.00 0.00 33.01 33.16 1hcy s GLN 430 CO 0.04 -0.18 -0.02 1.52 -0.55 0.00 0.00 175.29 176.10 1hcy s TYR 431 N 1.35 2.24 -0.23 1.67 1.13 -0.31 -4.96 117.35 118.23 1hcy s TYR 431 Ca -0.05 -0.69 -0.09 0.00 -1.41 0.00 0.00 57.07 54.83 1hcy s TYR 431 Cb -0.13 -1.42 -0.04 0.00 -1.10 0.00 0.00 41.96 39.27 1hcy s TYR 431 CO -0.02 0.35 0.11 0.45 -2.51 0.00 0.00 175.55 173.93 1hcy s SER 432 N -3.57 5.66 0.00 -0.18 0.15 -1.26 -0.76 113.70 113.73 1hcy s SER 432 Ca 0.33 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1hcy s SER 432 Cb 0.06 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1hcy s SER 432 CO 0.16 0.04 0.48 0.18 1.20 0.00 0.00 173.24 175.30 1hcy n LEU 433 N 4.41 1.05 0.10 3.45 4.77 -1.04 -4.26 117.00 125.48 1hcy n LEU 433 Ca -0.16 -0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 55.14 1hcy n LEU 433 Cb 0.52 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1hcy n LEU 433 CO 0.33 0.24 0.01 0.40 -1.33 0.00 0.00 177.39 177.04 1hcy h ILE 434 N 0.02 1.46 0.00 -0.08 2.04 -1.86 -2.96 117.51 116.13 1hcy h ILE 434 Ca 0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1hcy h ILE 434 Cb 0.48 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1hcy h ILE 434 CO 0.00 0.84 0.00 0.59 0.00 0.00 0.00 178.15 179.58 1hcy n ASN 435 N -3.61 0.00 0.09 1.72 4.13 -1.26 -2.39 115.26 113.94 1hcy n ASN 435 Ca -0.08 -0.56 -0.17 0.00 1.68 0.00 0.00 54.58 55.45 1hcy n ASN 435 Cb 0.97 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 39.04 1hcy n ASN 435 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hcy h ALA 436 N 3.22 0.17 -2.73 5.41 0.00 -1.83 -3.42 119.26 120.09 1hcy h ALA 436 Ca 0.00 -1.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.30 1hcy h ALA 436 Cb 0.02 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1hcy h ALA 436 CO 0.00 1.05 -0.37 0.14 0.00 0.00 0.00 179.25 180.07 1hcy s VAL 437 N -2.63 5.26 0.05 0.00 -7.23 -1.01 -5.03 120.40 109.82 1hcy s VAL 437 Ca -0.06 0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 1hcy s VAL 437 Cb 0.07 -3.59 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 1hcy s VAL 437 CO 0.87 0.28 0.47 1.51 -0.31 0.00 0.00 175.10 177.92 1hcy s ASP 438 N -1.91 6.86 -0.12 4.85 1.47 -1.26 -4.99 116.67 121.56 1hcy s ASP 438 Ca 0.31 1.04 0.01 0.00 1.18 0.00 0.00 52.55 55.09 1hcy s ASP 438 Cb -0.13 -2.28 0.02 0.00 -0.34 0.00 0.00 42.92 40.19 1hcy s ASP 438 CO 0.19 0.26 -0.13 -0.55 0.68 0.00 0.00 175.17 175.62 1hcy s SER 439 N -1.27 2.44 0.00 2.11 0.15 -1.26 -5.02 113.70 110.85 1hcy s SER 439 Ca 0.28 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1hcy s SER 439 Cb -0.17 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1hcy s SER 439 CO 0.16 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1hcy n GLY 440 N 4.51 1.16 3.18 9.45 0.00 -1.26 -5.06 105.19 117.17 1hcy n GLY 440 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1hcy n GLY 440 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hcy s GLU 441 N 0.21 0.33 0.00 1.61 2.02 -1.26 -4.74 118.70 116.87 1hcy s GLU 441 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1hcy s GLU 441 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1hcy s GLU 441 CO 0.00 -0.08 0.00 0.09 0.02 0.00 0.00 175.26 175.29 1hcy n ASN 442 N 3.38 0.00 -4.72 -0.19 3.02 -1.26 -5.02 115.26 110.47 1hcy n ASN 442 Ca -0.17 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.00 1hcy n ASN 442 Cb 0.56 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 1hcy n ASN 442 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1hcy s ILE 443 N -3.22 5.20 0.35 2.41 1.10 -1.26 -5.08 121.20 120.69 1hcy s ILE 443 Ca 0.00 0.91 0.08 0.00 -0.51 0.00 0.00 60.65 61.13 1hcy s ILE 443 Cb 0.00 -3.80 -0.03 0.00 0.15 0.00 0.00 42.46 38.78 1hcy s ILE 443 CO 0.00 0.32 0.30 -1.83 -2.11 0.00 0.00 174.94 171.62 1hcy s GLU 444 N 0.67 2.68 -0.01 3.50 -1.05 -1.26 -4.76 118.70 118.47 1hcy s GLU 444 Ca 0.25 -1.34 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 1hcy s GLU 444 Cb -0.15 -2.45 -0.05 0.00 -0.44 0.00 0.00 34.13 31.04 1hcy s GLU 444 CO 0.10 0.05 1.45 -0.51 0.95 0.00 0.00 175.26 177.30 1hcy s ASP 445 N -4.01 6.81 -0.10 0.83 1.01 -1.26 -5.01 116.67 114.93 1hcy s ASP 445 Ca 0.42 2.13 -0.01 0.00 0.71 0.00 0.00 52.55 55.81 1hcy s ASP 445 Cb -0.05 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1hcy s ASP 445 CO 0.27 -0.76 -0.07 0.54 0.21 0.00 0.00 175.17 175.35 1hcy s VAL 446 N 2.71 3.61 -0.52 -1.27 0.11 -1.26 -5.03 120.40 118.74 1hcy s VAL 446 Ca 0.65 -0.49 -0.23 0.00 -2.93 0.00 0.00 61.98 58.98 1hcy s VAL 446 Cb -0.32 -2.51 0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1hcy s VAL 446 CO 0.27 0.55 0.85 -0.70 -3.33 0.00 0.00 175.10 172.73 1hcy s GLU 447 N -0.25 3.30 -0.16 1.54 2.12 -1.26 -4.97 118.70 119.03 1hcy s GLU 447 Ca 0.03 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 1hcy s GLU 447 Cb -0.13 -4.04 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 1hcy s GLU 447 CO 0.03 -1.36 0.14 0.42 -0.54 0.00 0.00 175.26 173.94 1hcy s ILE 448 N 3.55 5.46 0.14 -3.70 1.01 -1.26 -3.01 121.20 123.39 1hcy s ILE 448 Ca 0.27 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.19 1hcy s ILE 448 Cb -0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1hcy s ILE 448 CO 0.18 0.54 -0.15 0.20 0.00 0.00 0.00 174.94 175.71 1hcy s ASN 449 N -0.40 2.25 -0.03 3.58 0.02 -1.18 -2.49 114.94 116.70 1hcy s ASN 449 Ca 0.12 -0.85 0.06 0.00 -1.02 0.00 0.00 52.86 51.17 1hcy s ASN 449 Cb -0.12 -0.10 -0.02 0.00 0.02 0.00 0.00 41.25 41.03 1hcy s ASN 449 CO 0.01 -0.12 -0.21 0.00 0.02 0.00 0.00 177.10 176.81 1hcy s ALA 450 N -2.20 2.39 -0.13 0.60 0.00 0.06 -1.28 121.76 121.20 1hcy s ALA 450 Ca 0.12 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1hcy s ALA 450 Cb -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1hcy s ALA 450 CO 0.04 0.54 -0.22 0.50 0.00 0.00 0.00 175.76 176.62 1hcy s ARG 451 N -0.71 3.00 0.32 0.00 3.52 0.43 -1.16 118.95 124.34 1hcy s ARG 451 Ca 0.11 -0.85 0.10 0.00 -0.13 0.00 0.00 55.73 54.96 1hcy s ARG 451 Cb -0.10 -2.38 -0.06 0.00 -1.56 0.00 0.00 34.95 30.85 1hcy s ARG 451 CO -0.00 0.03 -0.12 0.14 -0.81 0.00 0.00 175.30 174.54 1hcy s VAL 452 N 0.69 2.26 -0.45 7.11 -7.23 0.70 -0.30 120.40 123.19 1hcy s VAL 452 Ca -0.10 -2.26 -0.13 0.00 -1.81 0.00 0.00 61.98 57.68 1hcy s VAL 452 Cb -0.16 -2.53 0.07 0.00 0.56 0.00 0.00 36.38 34.32 1hcy s VAL 452 CO 0.01 -0.27 0.34 -1.00 -0.31 0.00 0.00 175.10 173.87 1hcy s HIS 453 N -2.61 3.28 0.26 2.82 3.76 -1.26 -0.17 115.29 121.36 1hcy s HIS 453 Ca 0.31 -1.12 0.12 0.00 -0.15 0.00 0.00 55.06 54.22 1hcy s HIS 453 Cb 0.00 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.58 1hcy s HIS 453 CO 0.16 -0.81 -0.20 -0.98 -0.85 0.00 0.00 174.74 172.06 1hcy s ARG 454 N 1.57 1.62 0.87 1.40 1.70 -1.11 -4.98 118.95 120.02 1hcy s ARG 454 Ca 0.04 -1.72 -0.10 0.00 -0.47 0.00 0.00 55.73 53.48 1hcy s ARG 454 Cb -0.24 -1.72 0.12 0.00 -0.57 0.00 0.00 34.95 32.55 1hcy s ARG 454 CO 0.05 0.33 1.13 -1.17 -1.08 0.00 0.00 175.30 174.56 1hcy s LEU 455 N -3.36 2.86 0.01 -1.89 2.96 -1.26 -1.66 118.68 116.33 1hcy s LEU 455 Ca 0.28 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.96 1hcy s LEU 455 Cb -0.05 -4.52 0.10 0.00 0.50 0.00 0.00 46.19 42.21 1hcy s LEU 455 CO 0.13 -2.80 0.97 0.21 -1.32 0.00 0.00 176.35 173.54 1hcy s ASN 456 N -2.90 -0.28 0.35 3.68 3.04 0.39 -4.71 114.94 114.51 1hcy s ASN 456 Ca 0.65 -0.10 0.07 0.00 0.04 0.00 0.00 52.86 53.52 1hcy s ASN 456 Cb -0.21 0.37 -0.03 0.00 -1.54 0.00 0.00 41.25 39.84 1hcy s ASN 456 CO 0.57 -0.62 0.27 -1.38 -3.04 0.00 0.00 177.10 172.90 1hcy s HIS 457 N -3.03 1.79 -0.07 0.43 -3.43 -1.26 0.30 115.29 110.01 1hcy s HIS 457 Ca 0.08 -1.64 0.04 0.00 -0.80 0.00 0.00 55.06 52.74 1hcy s HIS 457 Cb -0.01 -0.78 -0.02 0.00 -1.43 0.00 0.00 32.58 30.35 1hcy s HIS 457 CO -0.06 -0.81 -0.20 -0.80 -2.00 0.00 0.00 174.74 170.87 1hcy s ASN 458 N -3.41 3.51 0.58 7.38 -0.87 -0.68 -4.86 114.94 116.59 1hcy s ASN 458 Ca 0.38 -0.39 -0.18 0.00 -1.57 0.00 0.00 52.86 51.10 1hcy s ASN 458 Cb 0.02 -1.01 -0.08 0.00 -0.02 0.00 0.00 41.25 40.16 1hcy s ASN 458 CO 0.27 0.25 0.54 -1.84 -2.57 0.00 0.00 177.10 173.75 1hcy n GLU 459 N 2.91 0.51 -3.68 -0.60 0.28 -1.26 -4.71 120.64 114.10 1hcy n GLU 459 Ca -0.18 0.20 -0.10 0.00 -0.16 0.00 0.00 57.16 56.93 1hcy n GLU 459 Cb 0.52 -1.73 -0.04 0.00 1.43 0.00 0.00 31.44 31.62 1hcy n GLU 459 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1hcy s PHE 460 N -1.72 -0.16 0.04 -1.84 -0.71 -1.26 -4.67 117.98 107.66 1hcy s PHE 460 Ca 0.69 -0.17 0.04 0.00 -1.04 0.00 0.00 56.93 56.46 1hcy s PHE 460 Cb -0.44 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1hcy s PHE 460 CO 0.54 -0.78 -0.13 -0.08 -1.34 0.00 0.00 175.22 173.43 1hcy s THR 461 N -3.83 1.00 -0.10 -4.49 -1.32 -0.96 -0.20 115.64 105.72 1hcy s THR 461 Ca 0.06 -0.94 -0.19 0.00 -1.21 0.00 0.00 61.69 59.40 1hcy s THR 461 Cb 0.01 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1hcy s THR 461 CO -0.08 -0.02 0.53 -0.31 -2.21 0.00 0.00 174.62 172.52 1hcy s TYR 462 N -0.84 3.54 -0.24 9.09 2.02 0.10 0.27 117.35 131.30 1hcy s TYR 462 Ca 0.00 0.98 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 1hcy s TYR 462 Cb -0.08 -2.60 0.06 0.00 -0.40 0.00 0.00 41.96 38.95 1hcy s TYR 462 CO 0.01 0.17 -0.02 0.15 -1.57 0.00 0.00 175.55 174.29 1hcy s LYS 463 N 0.58 1.36 -0.35 -0.62 1.02 0.95 0.87 119.74 123.55 1hcy s LYS 463 Ca 0.29 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.30 1hcy s LYS 463 Cb -0.16 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1hcy s LYS 463 CO 0.12 -0.65 0.11 0.42 -0.92 0.00 0.00 175.35 174.43 1hcy s ILE 464 N 1.48 3.55 -0.19 2.17 1.01 0.62 0.68 121.20 130.52 1hcy s ILE 464 Ca -0.03 -1.36 -0.18 0.00 0.00 0.00 0.00 60.65 59.08 1hcy s ILE 464 Cb -0.18 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1hcy s ILE 464 CO -0.08 -0.27 0.49 -0.89 0.00 0.00 0.00 174.94 174.19 1hcy s THR 465 N 1.33 5.14 -0.29 2.92 2.01 -0.11 0.72 115.64 127.35 1hcy s THR 465 Ca -0.01 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.71 1hcy s THR 465 Cb -0.20 -3.82 0.14 0.00 0.01 0.00 0.00 72.50 68.63 1hcy s THR 465 CO 0.01 0.22 1.03 0.00 -0.69 0.00 0.00 174.62 175.18 1hcy s MET 466 N 1.41 0.39 -0.12 4.92 0.00 -0.79 -0.40 119.30 124.72 1hcy s MET 466 Ca 0.23 0.59 -0.20 0.00 0.00 0.00 0.00 55.69 56.31 1hcy s MET 466 Cb -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 34.83 34.76 1hcy s MET 466 CO 0.09 -0.07 0.56 -1.12 0.00 0.00 0.00 175.02 174.49 1hcy s SER 467 N 0.90 6.76 -0.93 -1.18 0.01 -1.03 -2.37 113.70 115.87 1hcy s SER 467 Ca -0.04 0.91 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 1hcy s SER 467 Cb -0.04 -2.33 0.14 0.00 0.21 0.00 0.00 66.02 64.00 1hcy s SER 467 CO -0.12 -0.08 1.11 0.21 0.41 0.00 0.00 173.24 174.77 1hcy s ASN 468 N 0.78 6.65 0.49 2.44 2.47 -1.26 -1.97 114.94 124.54 1hcy s ASN 468 Ca 0.29 -2.11 0.33 0.00 0.42 0.00 0.00 52.86 51.79 1hcy s ASN 468 Cb -0.16 -2.39 1.56 0.00 -1.45 0.00 0.00 41.25 38.82 1hcy s ASN 468 CO 0.12 -1.02 1.99 0.78 -3.72 0.00 0.00 177.10 175.26 1hcy h ASN 469 N 8.72 0.00 -3.56 -4.21 -0.26 -1.85 -3.35 115.58 111.08 1hcy h ASN 469 Ca 0.16 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.38 1hcy h ASN 469 Cb 1.02 0.00 0.21 0.00 -1.06 0.00 0.00 38.32 38.49 1hcy h ASN 469 CO 1.08 0.00 -0.33 0.59 -1.06 0.00 0.00 177.43 177.72 1hcy n ASN 470 N -2.80 -1.31 -0.32 5.81 3.02 -1.26 -4.86 115.26 113.54 1hcy n ASN 470 Ca -0.00 0.27 -0.03 0.00 -0.03 0.00 0.00 54.58 54.78 1hcy n ASN 470 Cb 0.19 -1.27 0.08 0.00 -0.61 0.00 0.00 39.78 38.17 1hcy n ASN 470 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1hcy h ASP 471 N -1.82 0.99 -0.34 6.41 2.03 -1.91 -3.44 116.42 118.34 1hcy h ASP 471 Ca -0.46 -0.03 0.24 0.00 -0.73 0.00 0.00 57.03 56.06 1hcy h ASP 471 Cb 1.29 -0.25 -0.25 0.00 -0.83 0.00 0.00 39.33 39.29 1hcy h ASP 471 CO 0.38 0.72 0.40 -0.83 -1.03 0.00 0.00 179.24 178.88 1hcy s GLY 472 N -2.99 0.08 0.01 7.15 0.00 -1.26 -4.86 107.32 105.46 1hcy s GLY 472 Ca -0.13 3.39 0.00 0.00 0.00 0.00 0.00 44.72 47.98 1hcy s GLY 472 CO 0.80 3.45 0.00 -1.84 0.00 0.00 0.00 173.10 175.50 1hcy n GLU 473 N 4.83 -0.56 -4.18 2.90 0.28 -1.22 -4.96 120.64 117.73 1hcy n GLU 473 Ca -0.07 0.39 -0.17 0.00 -0.16 0.00 0.00 57.16 57.16 1hcy n GLU 473 Cb 0.55 -0.90 -0.12 0.00 1.43 0.00 0.00 31.44 32.39 1hcy n GLU 473 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1hcy s ARG 474 N -0.06 0.70 0.30 3.44 1.81 -0.91 -4.97 118.95 119.27 1hcy s ARG 474 Ca 0.00 -0.74 -0.29 0.00 -1.72 0.00 0.00 55.73 52.98 1hcy s ARG 474 Cb 0.00 -0.62 -0.10 0.00 -0.45 0.00 0.00 34.95 33.79 1hcy s ARG 474 CO 0.00 0.14 1.18 -1.17 -0.68 0.00 0.00 175.30 174.77 1hcy s LEU 475 N -1.33 4.50 -0.02 2.53 0.20 -1.26 -1.43 118.68 121.87 1hcy s LEU 475 Ca -0.04 2.44 0.03 0.00 0.69 0.00 0.00 54.13 57.25 1hcy s LEU 475 Cb -0.09 -3.64 -0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1hcy s LEU 475 CO 0.01 -0.30 -0.10 0.00 -0.29 0.00 0.00 176.35 175.67 1hcy s ALA 476 N -1.16 0.91 -0.35 5.97 0.00 -0.17 -1.81 121.76 125.16 1hcy s ALA 476 Ca 0.46 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 1hcy s ALA 476 Cb -0.35 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1hcy s ALA 476 CO 0.46 0.18 0.63 0.99 0.00 0.00 0.00 175.76 178.01 1hcy s THR 477 N 0.03 4.90 -0.70 0.00 2.01 0.46 -3.07 115.64 119.27 1hcy s THR 477 Ca -0.01 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 1hcy s THR 477 Cb -0.07 -4.07 0.05 0.00 0.01 0.00 0.00 72.50 68.43 1hcy s THR 477 CO 0.00 -0.29 1.10 -0.36 -0.69 0.00 0.00 174.62 174.38 1hcy s PHE 478 N 2.69 2.51 -0.24 4.92 0.40 -0.14 -2.07 117.98 126.04 1hcy s PHE 478 Ca 0.24 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 1hcy s PHE 478 Cb -0.15 -4.44 -0.05 0.00 0.51 0.00 0.00 43.02 38.90 1hcy s PHE 478 CO 0.14 -1.83 0.15 1.03 0.70 0.00 0.00 175.22 175.41 1hcy s ARG 479 N 4.76 4.00 -0.27 0.44 0.52 -0.32 -1.76 118.95 126.33 1hcy s ARG 479 Ca 0.28 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1hcy s ARG 479 Cb -0.13 -3.52 0.08 0.00 0.52 0.00 0.00 34.95 31.90 1hcy s ARG 479 CO 0.12 0.01 0.00 0.42 0.02 0.00 0.00 175.30 175.87 1hcy s ILE 480 N 1.19 1.44 0.25 1.52 1.01 0.38 -1.54 121.20 125.45 1hcy s ILE 480 Ca 0.07 -1.40 -0.06 0.00 0.00 0.00 0.00 60.65 59.26 1hcy s ILE 480 Cb -0.14 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.41 1hcy s ILE 480 CO 0.05 -0.32 0.53 -0.36 0.00 0.00 0.00 174.94 174.85 1hcy s PHE 481 N 1.39 3.46 -0.35 3.97 0.08 -0.68 -1.61 117.98 124.25 1hcy s PHE 481 Ca 0.01 0.70 0.02 0.00 0.12 0.00 0.00 56.93 57.78 1hcy s PHE 481 Cb -0.18 -2.14 0.10 0.00 -0.57 0.00 0.00 43.02 40.23 1hcy s PHE 481 CO -0.11 0.23 0.10 -1.17 -0.10 0.00 0.00 175.22 174.17 1hcy s LEU 482 N -3.21 3.63 0.54 -0.37 2.96 -0.78 -1.87 118.68 119.58 1hcy s LEU 482 Ca 0.45 -2.06 -0.02 0.00 -0.22 0.00 0.00 54.13 52.28 1hcy s LEU 482 Cb -0.11 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.30 1hcy s LEU 482 CO 0.27 -0.37 0.80 0.00 -1.32 0.00 0.00 176.35 175.72 1hcy n PRO 484 N -2.38 -0.13 0.01 0.00 -0.04 -1.26 -3.01 135.00 128.19 1hcy n PRO 484 Ca 0.05 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1hcy n PRO 484 Cb 0.58 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 1hcy n PRO 484 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1hcy n ILE 485 N -2.76 0.15 -4.07 0.52 5.41 -1.26 -4.68 119.36 112.66 1hcy n ILE 485 Ca 0.14 0.05 -0.25 0.00 1.00 0.00 0.00 62.75 63.69 1hcy n ILE 485 Cb 0.52 -1.24 -0.05 0.00 -0.71 0.00 0.00 39.64 38.15 1hcy n ILE 485 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1hcy s GLU 486 N -2.00 2.26 0.16 0.38 2.02 -1.26 -2.78 118.70 117.49 1hcy s GLU 486 Ca 0.00 -1.90 -0.09 0.00 0.02 0.00 0.00 54.97 52.99 1hcy s GLU 486 Cb 0.00 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.23 1hcy s GLU 486 CO 0.00 -0.26 1.51 0.22 0.02 0.00 0.00 175.26 176.75 1hcy h ASP 487 N 1.22 0.95 0.00 -0.19 3.58 -1.86 -3.42 116.42 116.70 1hcy h ASP 487 Ca -0.41 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 56.62 1hcy h ASP 487 Cb 1.27 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1hcy h ASP 487 CO 0.66 1.20 0.00 -3.20 -2.88 0.00 0.00 179.24 175.02 1hcy n ASN 488 N -4.07 0.00 -0.00 2.28 5.15 -1.26 -4.53 115.26 112.83 1hcy n ASN 488 Ca -0.02 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.01 1hcy n ASN 488 Cb 0.52 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.71 1hcy n ASN 488 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1hcy n ASN 489 N 0.00 1.94 0.00 1.20 3.02 -1.26 -4.95 115.26 115.21 1hcy n ASN 489 Ca 0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1hcy n ASN 489 Cb 0.00 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 1hcy n ASN 489 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hcy n GLY 490 N 1.69 3.01 0.58 7.41 0.00 -1.26 -5.00 105.19 111.62 1hcy n GLY 490 Ca -0.00 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.43 1hcy n GLY 490 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hcy h ILE 491 N 0.00 0.23 -4.56 -0.61 2.04 -1.91 -3.39 117.51 109.31 1hcy h ILE 491 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1hcy h ILE 491 Cb 0.00 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1hcy h ILE 491 CO 0.00 0.01 -0.50 1.07 0.00 0.00 0.00 178.15 178.72 1hcy n THR 492 N -4.18 -8.74 -1.71 -0.27 5.66 -1.25 -4.78 114.28 99.01 1hcy n THR 492 Ca 0.34 0.93 -0.29 0.00 -3.05 0.00 0.00 64.05 61.98 1hcy n THR 492 Cb 1.53 -6.23 0.13 0.00 -1.55 0.00 0.00 70.33 64.21 1hcy n THR 492 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1hcy s LEU 493 N -1.72 2.24 -0.39 1.09 0.05 -1.12 -4.97 118.68 113.86 1hcy s LEU 493 Ca 0.10 0.77 0.06 0.00 0.05 0.00 0.00 54.13 55.11 1hcy s LEU 493 Cb -0.03 -3.08 0.54 0.00 -2.05 0.00 0.00 46.19 41.57 1hcy s LEU 493 CO 0.55 -2.42 1.64 0.35 -0.55 0.00 0.00 176.35 175.92 1hcy n THR 494 N -3.65 2.89 -2.44 5.48 -2.24 -1.26 -4.81 114.28 108.25 1hcy n THR 494 Ca 0.09 -2.73 -0.15 0.00 -2.27 0.00 0.00 64.05 58.99 1hcy n THR 494 Cb 0.60 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 1hcy n THR 494 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1hcy n LEU 495 N -1.06 -1.36 0.00 3.22 7.94 -1.26 -3.61 117.00 120.87 1hcy n LEU 495 Ca 0.46 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 1hcy n LEU 495 Cb 1.14 -2.36 0.00 0.00 0.53 0.00 0.00 43.42 42.74 1hcy n LEU 495 CO 0.41 -0.15 0.00 -0.67 -1.11 0.00 0.00 177.39 175.87 1hcy n ASP 496 N -1.87 -0.05 0.08 1.96 2.03 -1.26 -4.32 116.55 113.11 1hcy n ASP 496 Ca -0.17 0.01 -0.09 0.00 0.52 0.00 0.00 54.79 55.06 1hcy n ASP 496 Cb 0.63 0.50 0.01 0.00 -0.72 0.00 0.00 41.12 41.54 1hcy n ASP 496 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1hcy h GLU 497 N 0.00 0.28 -0.16 -0.67 5.08 -1.92 -3.27 114.58 113.92 1hcy h GLU 497 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1hcy h GLU 497 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1hcy h GLU 497 CO 0.00 0.96 0.00 0.00 -1.00 0.00 0.00 179.01 178.97 1hcy n ALA 498 N -2.49 2.39 -0.00 3.43 0.00 -1.26 -4.45 120.51 118.13 1hcy n ALA 498 Ca -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 53.44 52.63 1hcy n ALA 498 Cb 0.77 -0.50 0.40 0.00 0.00 0.00 0.00 19.45 20.12 1hcy n ALA 498 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1hcy h ARG 499 N 2.69 0.55 0.00 0.00 0.11 -1.75 -2.49 114.38 113.48 1hcy h ARG 499 Ca 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 1hcy h ARG 499 Cb 0.66 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 1hcy h ARG 499 CO 0.00 0.39 -0.17 2.35 0.10 0.00 0.00 179.97 182.64 1hcy h TRP 500 N 0.56 0.00 -0.00 4.08 2.91 -1.78 -3.21 115.95 118.51 1hcy h TRP 500 Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1hcy h TRP 500 Cb -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.64 1hcy h TRP 500 CO 0.00 0.17 -0.10 1.19 -1.03 0.00 0.00 178.44 178.67 1hcy n PHE 501 N -3.17 0.00 -3.06 2.65 3.72 -0.94 -4.93 117.46 111.73 1hcy n PHE 501 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.06 1hcy n PHE 501 Cb 0.55 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1hcy n PHE 501 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hcy s ILE 503 N -1.54 3.40 0.02 0.00 -4.36 -1.20 -4.90 121.20 112.62 1hcy s ILE 503 Ca 0.44 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.79 1hcy s ILE 503 Cb -0.17 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1hcy s ILE 503 CO 0.21 0.49 0.97 -0.70 0.24 0.00 0.00 174.94 176.15 1hcy s GLU 504 N -1.09 4.59 -0.11 0.37 2.12 -1.26 -1.87 118.70 121.44 1hcy s GLU 504 Ca 0.14 1.41 0.14 0.00 0.36 0.00 0.00 54.97 57.02 1hcy s GLU 504 Cb -0.11 -3.44 -0.20 0.00 0.26 0.00 0.00 34.13 30.64 1hcy s GLU 504 CO 0.04 0.02 0.14 -0.11 -0.54 0.00 0.00 175.26 174.80 1hcy n LEU 505 N 3.63 0.00 -3.61 2.70 7.94 -0.63 -4.97 117.00 122.06 1hcy n LEU 505 Ca 0.05 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.90 1hcy n LEU 505 Cb 0.51 0.26 -0.03 0.00 0.53 0.00 0.00 43.42 44.69 1hcy n LEU 505 CO 0.52 0.26 1.02 -0.62 -1.11 0.00 0.00 177.39 177.46 1hcy s ASP 506 N -4.56 -0.14 -0.26 1.96 -1.08 -1.14 -4.54 116.67 106.91 1hcy s ASP 506 Ca -0.07 0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 52.01 1hcy s ASP 506 Cb 0.06 0.13 0.13 0.00 -1.46 0.00 0.00 42.92 41.79 1hcy s ASP 506 CO 0.63 -0.18 0.51 -0.75 0.52 0.00 0.00 175.17 175.90 1hcy s LYS 507 N -1.60 0.45 0.02 4.34 2.20 -1.26 -0.47 119.74 123.42 1hcy s LYS 507 Ca 0.07 1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 56.58 1hcy s LYS 507 Cb -0.01 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 1hcy s LYS 507 CO -0.05 -0.42 0.25 -0.59 -0.36 0.00 0.00 175.35 174.19 1hcy s PHE 508 N 2.73 -0.06 -0.23 4.03 -0.12 -0.72 -4.55 117.98 119.06 1hcy s PHE 508 Ca 0.06 -0.03 -0.08 0.00 -0.05 0.00 0.00 56.93 56.84 1hcy s PHE 508 Cb -0.14 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1hcy s PHE 508 CO -0.17 -0.42 0.08 -0.06 -0.05 0.00 0.00 175.22 174.60 1hcy s PHE 509 N -2.02 3.16 0.06 3.49 0.08 -1.26 -0.97 117.98 120.52 1hcy s PHE 509 Ca -0.09 -0.16 0.05 0.00 0.12 0.00 0.00 56.93 56.85 1hcy s PHE 509 Cb -0.03 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1hcy s PHE 509 CO -0.00 -0.13 -0.15 -1.14 -0.10 0.00 0.00 175.22 173.70 1hcy s GLN 510 N 1.13 0.91 0.12 0.44 2.00 -1.17 -4.90 119.66 118.20 1hcy s GLN 510 Ca 0.05 -0.87 -0.09 0.00 -2.00 0.00 0.00 55.36 52.45 1hcy s GLN 510 Cb -0.14 -0.94 -0.06 0.00 0.80 0.00 0.00 33.01 32.66 1hcy s GLN 510 CO 0.04 0.22 0.43 0.15 -0.50 0.00 0.00 175.29 175.63 1hcy s LYS 511 N -1.43 3.76 -0.18 1.67 1.02 -1.26 -1.00 119.74 122.32 1hcy s LYS 511 Ca 0.01 0.17 -0.07 0.00 0.02 0.00 0.00 55.97 56.10 1hcy s LYS 511 Cb -0.09 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1hcy s LYS 511 CO 0.02 0.50 0.04 0.08 -0.92 0.00 0.00 175.35 175.07 1hcy s VAL 512 N -1.52 4.61 0.88 3.17 1.01 -0.51 -4.97 120.40 123.07 1hcy s VAL 512 Ca 0.37 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1hcy s VAL 512 Cb -0.13 -3.07 0.23 0.00 0.00 0.00 0.00 36.38 33.41 1hcy s VAL 512 CO 0.20 0.46 0.56 -0.81 0.00 0.00 0.00 175.10 175.52 1hcy n PRO 513 N 3.57 -3.52 -0.54 2.72 -0.04 -1.26 -2.14 135.00 133.78 1hcy n PRO 513 Ca -0.17 -0.94 0.06 0.00 -0.04 0.00 0.00 63.50 62.42 1hcy n PRO 513 Cb 0.52 -1.14 0.28 0.00 -0.04 0.00 0.00 33.50 33.12 1hcy n PRO 513 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1hcy n SER 514 N -4.65 3.98 -3.59 3.54 2.88 -1.26 -3.82 113.62 110.69 1hcy n SER 514 Ca 0.09 -2.47 -0.06 0.00 -1.33 0.00 0.00 58.87 55.10 1hcy n SER 514 Cb 0.37 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.26 1hcy n SER 514 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1hcy s GLY 515 N -0.69 -0.38 0.00 0.46 0.00 -1.26 -4.61 107.32 100.85 1hcy s GLY 515 Ca 0.38 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1hcy s GLY 515 CO 0.15 0.25 0.00 -1.05 0.00 0.00 0.00 173.10 172.45 1hcy n PRO 516 N -0.31 0.00 -1.16 2.90 -0.01 -1.26 -4.49 135.00 130.67 1hcy n PRO 516 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 63.50 63.41 1hcy n PRO 516 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.10 1hcy n PRO 516 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1hcy n GLU 517 N 0.00 1.03 -3.26 -0.52 2.13 -1.00 -4.93 120.64 114.09 1hcy n GLU 517 Ca 0.00 -0.16 -0.08 0.00 0.66 0.00 0.00 57.16 57.58 1hcy n GLU 517 Cb 0.00 -0.01 -0.04 0.00 0.27 0.00 0.00 31.44 31.66 1hcy n GLU 517 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1hcy s THR 518 N 0.71 -0.68 0.10 6.31 2.01 -1.26 -1.88 115.64 120.95 1hcy s THR 518 Ca 0.03 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 1hcy s THR 518 Cb -0.00 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.13 1hcy s THR 518 CO 0.02 -0.28 0.84 0.27 -0.69 0.00 0.00 174.62 174.78 1hcy s ILE 519 N 1.59 4.56 0.02 1.82 -4.36 0.22 -4.84 121.20 120.22 1hcy s ILE 519 Ca 0.17 1.81 0.08 0.00 -0.26 0.00 0.00 60.65 62.45 1hcy s ILE 519 Cb -0.09 -4.20 -0.02 0.00 1.25 0.00 0.00 42.46 39.40 1hcy s ILE 519 CO -0.05 0.38 -0.23 -0.70 0.24 0.00 0.00 174.94 174.59 1hcy s GLU 520 N -0.28 1.64 -0.13 0.37 2.12 -1.25 0.23 118.70 121.40 1hcy s GLU 520 Ca 0.41 -0.94 -0.29 0.00 0.36 0.00 0.00 54.97 54.51 1hcy s GLU 520 Cb -0.22 -1.71 0.07 0.00 0.26 0.00 0.00 34.13 32.53 1hcy s GLU 520 CO 0.26 0.45 0.70 0.50 -0.54 0.00 0.00 175.26 176.63 1hcy s ARG 521 N -0.97 0.97 0.03 4.30 3.52 0.25 -4.94 118.95 122.12 1hcy s ARG 521 Ca 0.09 0.51 -0.20 0.00 -0.13 0.00 0.00 55.73 56.01 1hcy s ARG 521 Cb -0.09 0.46 -0.06 0.00 -1.56 0.00 0.00 34.95 33.70 1hcy s ARG 521 CO 0.01 -0.25 0.58 0.45 -0.81 0.00 0.00 175.30 175.28 1hcy s SER 522 N -0.64 7.01 0.28 -2.12 0.15 -1.26 0.02 113.70 117.14 1hcy s SER 522 Ca -0.07 1.20 0.12 0.00 0.70 0.00 0.00 55.95 57.90 1hcy s SER 522 Cb -0.02 -2.36 0.93 0.00 -1.71 0.00 0.00 66.02 62.86 1hcy s SER 522 CO 0.07 0.18 1.24 -0.24 1.20 0.00 0.00 173.24 175.69 1hcy n SER 523 N 2.26 0.17 -0.05 5.45 2.88 0.71 0.12 113.62 125.16 1hcy n SER 523 Ca -0.09 1.31 -0.14 0.00 -1.33 0.00 0.00 58.87 58.63 1hcy n SER 523 Cb 0.51 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.31 1hcy n SER 523 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1hcy h LYS 524 N 0.00 0.46 -0.17 -1.46 1.57 -1.94 -3.17 116.57 111.85 1hcy h LYS 524 Ca 0.61 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1hcy h LYS 524 Cb 1.54 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1hcy h LYS 524 CO -0.64 0.88 0.00 -0.25 -0.57 0.00 0.00 179.45 178.86 1hcy n ASP 525 N -4.42 0.17 -4.44 0.86 8.00 0.32 -4.94 116.55 112.11 1hcy n ASP 525 Ca -0.06 -1.93 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1hcy n ASP 525 Cb 0.45 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 1hcy n ASP 525 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1hcy n SER 526 N -0.41 -1.24 0.01 -2.24 2.88 -1.08 -4.89 113.62 106.64 1hcy n SER 526 Ca 0.00 0.82 0.12 0.00 -1.33 0.00 0.00 58.87 58.48 1hcy n SER 526 Cb 0.04 -1.11 0.28 0.00 -0.75 0.00 0.00 64.21 62.67 1hcy n SER 526 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hcy n SER 527 N 1.12 0.47 -1.72 -3.46 3.41 -1.26 -3.26 113.62 108.92 1hcy n SER 527 Ca 0.11 -0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1hcy n SER 527 Cb 0.43 0.15 0.38 0.00 -0.26 0.00 0.00 64.21 64.92 1hcy n SER 527 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1hcy n VAL 528 N -1.60 2.54 -4.43 -3.33 0.24 -1.26 -4.90 118.33 105.59 1hcy n VAL 528 Ca 0.05 -1.42 -0.22 0.00 -2.04 0.00 0.00 64.34 60.71 1hcy n VAL 528 Cb 0.35 -0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 32.43 1hcy n VAL 528 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1hcy s THR 529 N -2.59 2.24 0.01 3.34 2.01 -1.20 -2.14 115.64 117.30 1hcy s THR 529 Ca 0.53 -2.34 0.01 0.00 0.31 0.00 0.00 61.69 60.20 1hcy s THR 529 Cb 0.39 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1hcy s THR 529 CO 0.17 -0.46 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.91 1hcy s VAL 530 N -2.64 0.34 0.92 3.82 1.01 0.32 -4.76 120.40 119.41 1hcy s VAL 530 Ca 0.27 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1hcy s VAL 530 Cb -0.04 -0.34 0.14 0.00 0.00 0.00 0.00 36.38 36.14 1hcy s VAL 530 CO 0.12 -0.09 1.10 -2.16 0.00 0.00 0.00 175.10 174.07 1hcy s PRO 531 N -0.59 1.07 0.75 2.72 0.04 -1.26 -1.06 135.00 136.67 1hcy s PRO 531 Ca -0.03 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.54 1hcy s PRO 531 Cb -0.04 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.74 1hcy s PRO 531 CO -0.00 -2.33 1.12 -0.51 0.04 0.00 0.00 177.00 175.32 1hcy s ASP 532 N -3.54 4.45 0.18 6.66 1.01 -1.26 -4.86 116.67 119.30 1hcy s ASP 532 Ca 0.64 2.02 0.04 0.00 0.71 0.00 0.00 52.55 55.96 1hcy s ASP 532 Cb -0.17 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1hcy s ASP 532 CO 0.56 -2.08 0.21 -0.04 0.21 0.00 0.00 175.17 174.04 1hcy s MET 533 N -4.43 3.12 0.49 8.23 -1.94 -1.26 -5.05 119.30 118.45 1hcy s MET 533 Ca 0.66 -0.80 -0.19 0.00 -1.71 0.00 0.00 55.69 53.65 1hcy s MET 533 Cb -0.21 -2.76 -0.15 0.00 2.01 0.00 0.00 34.83 33.73 1hcy s MET 533 CO 0.49 0.48 -0.05 -2.30 -0.01 0.00 0.00 175.02 173.63 1hcy n PRO 534 N -0.60 0.03 -1.52 2.03 -0.01 -1.26 -4.93 135.00 128.73 1hcy n PRO 534 Ca -0.08 0.01 -0.31 0.00 -0.01 0.00 0.00 63.50 63.11 1hcy n PRO 534 Cb 0.55 -1.03 0.07 0.00 -0.01 0.00 0.00 33.50 33.07 1hcy n PRO 534 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1hcy s SER 535 N -1.01 5.00 0.09 2.55 0.15 -1.26 -4.64 113.70 114.58 1hcy s SER 535 Ca 0.58 1.56 -0.33 0.00 0.70 0.00 0.00 55.95 58.46 1hcy s SER 535 Cb -0.52 -2.37 -0.16 0.00 -1.71 0.00 0.00 66.02 61.26 1hcy s SER 535 CO 0.65 -1.68 1.61 0.15 1.20 0.00 0.00 173.24 175.17 1hcy h PHE 536 N -0.88 -1.02 0.21 3.44 3.57 -1.93 0.23 116.94 120.56 1hcy h PHE 536 Ca -0.45 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1hcy h PHE 536 Cb 1.23 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.33 1hcy h PHE 536 CO 0.57 -0.55 -0.32 0.37 -2.23 0.00 0.00 178.31 176.15 1hcy h GLN 537 N -0.86 -0.54 -1.04 1.11 4.15 -1.99 -0.08 115.11 115.86 1hcy h GLN 537 Ca -0.05 0.04 0.34 0.00 0.77 0.00 0.00 58.65 59.75 1hcy h GLN 537 Cb 0.73 0.12 -0.15 0.00 0.21 0.00 0.00 27.48 28.40 1hcy h GLN 537 CO 0.01 -0.36 0.60 1.03 -1.93 0.00 0.00 178.83 178.18 1hcy h SER 538 N -0.56 0.46 0.46 -0.69 0.87 -1.91 5.63 113.55 117.81 1hcy h SER 538 Ca -0.02 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1hcy h SER 538 Cb 0.51 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1hcy h SER 538 CO -0.10 -0.17 -0.01 0.18 -0.53 0.00 0.00 176.83 176.20 1hcy n LEU 539 N -5.01 0.05 -0.06 2.23 4.77 0.81 -2.46 117.00 117.34 1hcy n LEU 539 Ca 0.33 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1hcy n LEU 539 Cb 1.07 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.92 1hcy n LEU 539 CO 0.11 0.01 -0.05 0.11 -1.33 0.00 0.00 177.39 176.24 1hcy h LYS 540 N 0.07 0.00 -0.84 3.23 1.57 1.22 -3.00 116.57 118.81 1hcy h LYS 540 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1hcy h LYS 540 Cb 0.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.41 1hcy h LYS 540 CO 0.00 0.09 -0.24 0.39 -0.57 0.00 0.00 179.45 179.12 1hcy n GLU 541 N -4.73 -0.11 0.02 3.15 1.02 0.94 0.04 120.64 120.97 1hcy n GLU 541 Ca -0.03 1.30 -0.05 0.00 -0.02 0.00 0.00 57.16 58.36 1hcy n GLU 541 Cb 0.10 -1.94 0.15 0.00 -0.02 0.00 0.00 31.44 29.72 1hcy n GLU 541 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1hcy h GLN 542 N 0.00 0.47 0.20 3.49 4.20 -1.64 0.22 115.11 122.05 1hcy h GLN 542 Ca 0.37 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1hcy h GLN 542 Cb 0.58 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1hcy h GLN 542 CO -0.85 0.78 -0.10 0.00 -0.67 0.00 0.00 178.83 177.99 1hcy h ALA 543 N 1.19 -0.27 0.08 3.87 0.00 -0.24 -3.21 119.26 120.69 1hcy h ALA 543 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1hcy h ALA 543 Cb 0.85 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1hcy h ALA 543 CO 0.07 -0.45 -0.38 -0.44 0.00 0.00 0.00 179.25 178.05 1hcy h ASP 544 N -0.67 -1.12 0.00 0.00 3.32 -0.88 -1.77 116.42 115.29 1hcy h ASP 544 Ca -0.03 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1hcy h ASP 544 Cb 0.47 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1hcy h ASP 544 CO 0.05 -0.45 0.00 0.59 -1.72 0.00 0.00 179.24 177.71 1hcy n ASN 545 N -5.44 0.00 -0.11 6.45 3.02 0.76 0.24 115.26 120.18 1hcy n ASN 545 Ca -0.06 0.07 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1hcy n ASN 545 Cb 0.36 -0.07 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 1hcy n ASN 545 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hcy n ALA 546 N -1.07 2.10 -0.06 5.41 0.00 -0.68 -4.40 120.51 121.82 1hcy n ALA 546 Ca 0.00 -1.35 -0.22 0.00 0.00 0.00 0.00 53.44 51.87 1hcy n ALA 546 Cb 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.19 1hcy n ALA 546 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1hcy n VAL 547 N -0.56 1.65 -3.37 0.00 0.24 0.14 -3.50 118.33 112.92 1hcy n VAL 547 Ca 0.05 -0.46 -0.44 0.00 -2.04 0.00 0.00 64.34 61.44 1hcy n VAL 547 Cb 0.36 -1.77 -0.01 0.00 -1.47 0.00 0.00 33.84 30.95 1hcy n VAL 547 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1hcy s ASN 548 N -6.96 7.16 0.00 -1.34 0.02 -1.02 -3.95 114.94 108.86 1hcy s ASN 548 Ca -0.28 -3.55 0.00 0.00 -1.02 0.00 0.00 52.86 48.02 1hcy s ASN 548 Cb 0.08 -2.18 0.00 0.00 0.02 0.00 0.00 41.25 39.17 1hcy s ASN 548 CO 0.67 -0.30 0.00 0.61 0.02 0.00 0.00 177.10 178.11 1hcy n GLY 549 N 2.75 0.00 0.00 0.66 0.00 -1.26 -4.83 105.19 102.51 1hcy n GLY 549 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1hcy n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcy n GLY 550 N 0.00 1.09 3.64 -0.02 0.00 -1.23 -4.99 105.19 103.68 1hcy n GLY 550 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 1hcy n GLY 550 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hcy s HIS 551 N 0.00 -0.28 0.00 1.61 5.65 -1.25 -4.71 115.29 116.31 1hcy s HIS 551 Ca 0.00 0.67 0.00 0.00 0.25 0.00 0.00 55.06 55.98 1hcy s HIS 551 Cb 0.00 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.80 1hcy s HIS 551 CO 0.00 -0.14 0.00 -0.40 -0.65 0.00 0.00 174.74 173.55 1hcy n ASP 552 N 2.04 0.00 -2.65 9.88 5.75 -1.26 -5.03 116.55 125.28 1hcy n ASP 552 Ca -0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.64 1hcy n ASP 552 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1hcy n ASP 552 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1hcy n LEU 553 N 0.00 -5.90 -3.96 -2.12 4.77 -1.26 -4.48 117.00 104.06 1hcy n LEU 553 Ca 0.00 0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 1hcy n LEU 553 Cb 0.00 -2.79 -0.14 0.00 -2.33 0.00 0.00 43.42 38.16 1hcy n LEU 553 CO 0.00 -1.10 -0.22 -0.62 -1.33 0.00 0.00 177.39 174.12 1hcy s ASP 554 N -2.63 4.40 -0.12 -1.43 -1.08 -1.26 -4.55 116.67 110.01 1hcy s ASP 554 Ca 0.05 -2.80 0.17 0.00 -0.52 0.00 0.00 52.55 49.45 1hcy s ASP 554 Cb -0.01 -1.62 0.26 0.00 -1.46 0.00 0.00 42.92 40.09 1hcy s ASP 554 CO 0.58 -0.27 1.14 0.00 0.52 0.00 0.00 175.17 177.14 1hcy n LEU 555 N 3.40 2.36 -4.69 -1.34 -0.00 -1.26 -4.97 117.00 110.50 1hcy n LEU 555 Ca 0.05 -2.96 -0.42 0.00 -0.00 0.00 0.00 56.01 52.68 1hcy n LEU 555 Cb 0.35 -0.38 -0.03 0.00 -0.00 0.00 0.00 43.42 43.35 1hcy n LEU 555 CO 0.31 0.68 1.40 -0.55 -0.00 0.00 0.00 177.39 179.24 1hcy s SER 556 N -2.62 6.53 0.00 1.45 0.15 -1.26 -1.88 113.70 116.07 1hcy s SER 556 Ca 0.29 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1hcy s SER 556 Cb 0.25 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1hcy s SER 556 CO 0.03 -0.94 0.00 0.00 1.20 0.00 0.00 173.24 173.52 1hcy n ALA 557 N 5.84 0.00 -1.76 5.45 0.00 -1.26 -4.98 120.51 123.80 1hcy n ALA 557 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.66 1hcy n ALA 557 Cb 0.40 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.97 1hcy n ALA 557 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hcy n TYR 558 N -0.01 0.00 -1.45 0.00 4.02 -0.79 -4.87 117.16 114.06 1hcy n TYR 558 Ca 0.00 -0.94 -0.31 0.00 -0.01 0.00 0.00 57.90 56.64 1hcy n TYR 558 Cb 0.00 -0.18 0.03 0.00 -0.02 0.00 0.00 39.34 39.17 1hcy n TYR 558 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1hcy n GLU 559 N -0.64 2.46 0.12 -0.72 0.28 -1.26 -4.56 120.64 116.32 1hcy n GLU 559 Ca 0.13 -2.79 0.00 0.00 -0.16 0.00 0.00 57.16 54.34 1hcy n GLU 559 Cb 0.79 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.55 1hcy n GLU 559 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1hcy n ARG 560 N -0.14 0.00 -0.70 3.44 1.74 -1.26 -5.06 116.66 114.68 1hcy n ARG 560 Ca 0.51 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1hcy n ARG 560 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1hcy n ARG 560 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1hcy n SER 561 N -3.13 -0.22 -0.04 0.55 7.64 -1.26 -4.89 113.62 112.27 1hcy n SER 561 Ca 0.00 0.01 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 1hcy n SER 561 Cb 0.00 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 1hcy n SER 561 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hcy n GLY 563 N 0.62 -3.88 3.99 0.00 0.00 -1.26 -4.73 105.19 99.94 1hcy n GLY 563 Ca -0.07 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1hcy n GLY 563 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hcy s ILE 564 N -1.65 3.16 0.26 -0.61 -4.36 -0.91 -4.67 121.20 112.42 1hcy s ILE 564 Ca 0.39 -0.87 -0.31 0.00 -0.26 0.00 0.00 60.65 59.61 1hcy s ILE 564 Cb -0.07 -3.10 -0.12 0.00 1.25 0.00 0.00 42.46 40.41 1hcy s ILE 564 CO 0.33 -0.05 1.57 -2.65 0.24 0.00 0.00 174.94 174.38 1hcy n PRO 565 N -1.97 2.51 -0.01 0.37 -0.02 -1.26 0.12 135.00 134.73 1hcy n PRO 565 Ca 0.06 0.90 0.13 0.00 -2.02 0.00 0.00 63.50 62.56 1hcy n PRO 565 Cb 0.59 -2.66 0.56 0.00 -0.02 0.00 0.00 33.50 31.97 1hcy n PRO 565 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1hcy h ASP 566 N 5.01 0.24 0.01 2.55 3.58 -1.43 0.87 116.42 127.27 1hcy h ASP 566 Ca -0.46 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 1hcy h ASP 566 Cb 1.24 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1hcy h ASP 566 CO 0.81 0.15 -0.01 0.08 -2.88 0.00 0.00 179.24 177.40 1hcy h ARG 567 N 0.27 0.00 -0.01 0.28 0.11 -1.86 0.13 114.38 113.31 1hcy h ARG 567 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1hcy h ARG 567 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1hcy h ARG 567 CO -0.05 0.01 -0.11 -1.33 0.10 0.00 0.00 179.97 178.59 1hcy n MET 568 N -4.20 1.34 0.00 0.08 2.81 0.30 -4.12 117.12 113.34 1hcy n MET 568 Ca -0.03 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.06 1hcy n MET 568 Cb 0.09 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1hcy n MET 568 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1hcy n LEU 569 N -0.13 0.00 -4.89 4.03 7.94 0.46 -4.49 117.00 119.91 1hcy n LEU 569 Ca 0.16 0.40 -0.29 0.00 -1.11 0.00 0.00 56.01 55.17 1hcy n LEU 569 Cb 0.36 -0.04 0.02 0.00 0.53 0.00 0.00 43.42 44.29 1hcy n LEU 569 CO 0.20 -0.04 0.60 -0.76 -1.11 0.00 0.00 177.39 176.29 1hcy s LEU 570 N -2.13 3.29 0.92 -1.96 1.02 -1.26 -4.98 118.68 113.58 1hcy s LEU 570 Ca 0.00 1.07 -0.12 0.00 0.02 0.00 0.00 54.13 55.10 1hcy s LEU 570 Cb 0.00 -4.00 0.14 0.00 0.02 0.00 0.00 46.19 42.35 1hcy s LEU 570 CO 0.00 -0.90 1.11 -2.16 0.02 0.00 0.00 176.35 174.41 1hcy s PRO 571 N -5.04 1.11 -0.00 1.29 0.04 -1.26 -4.99 135.00 126.14 1hcy s PRO 571 Ca 0.53 0.52 -0.24 0.00 0.04 0.00 0.00 61.00 61.85 1hcy s PRO 571 Cb -0.11 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 1hcy s PRO 571 CO 0.49 -2.27 1.19 -0.22 0.04 0.00 0.00 177.00 176.23 1hcy h LYS 572 N -1.56 -0.30 0.00 4.56 3.64 -1.92 -3.47 116.57 117.51 1hcy h LYS 572 Ca -0.51 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1hcy h LYS 572 Cb 1.31 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1hcy h LYS 572 CO 0.59 0.05 0.00 -1.13 -2.27 0.00 0.00 179.45 176.68 1hcy n SER 573 N -5.06 -0.66 -4.85 4.20 3.41 -1.26 -4.62 113.62 104.79 1hcy n SER 573 Ca -0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.31 1hcy n SER 573 Cb 0.25 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1hcy n SER 573 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hcy s LYS 574 N 0.00 2.75 0.47 4.33 3.01 -1.26 -4.81 119.74 124.22 1hcy s LYS 574 Ca 0.00 -1.26 0.27 0.00 -1.01 0.00 0.00 55.97 53.96 1hcy s LYS 574 Cb 0.00 -2.49 0.69 0.00 -1.01 0.00 0.00 37.83 35.02 1hcy s LYS 574 CO 0.00 0.13 1.74 -1.00 0.51 0.00 0.00 175.35 176.73 1hcy h PRO 575 N 1.28 0.00 0.11 -1.68 0.13 -1.93 0.68 132.00 130.59 1hcy h PRO 575 Ca -0.45 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 1hcy h PRO 575 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1hcy h PRO 575 CO 0.59 0.00 -1.22 0.93 -0.23 0.00 0.00 178.00 178.07 1hcy h GLU 576 N 0.00 0.23 0.00 0.86 5.08 -1.92 -3.39 114.58 115.44 1hcy h GLU 576 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1hcy h GLU 576 Cb 0.83 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1hcy h GLU 576 CO 0.00 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.61 1hcy n GLY 577 N 1.51 2.64 3.17 -3.84 0.00 -1.17 -4.98 105.19 102.53 1hcy n GLY 577 Ca -0.07 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 1hcy n GLY 577 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hcy s MET 578 N -3.49 0.85 -0.18 1.61 1.00 0.16 -4.75 119.30 114.50 1hcy s MET 578 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 55.69 54.32 1hcy s MET 578 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 34.83 34.61 1hcy s MET 578 CO 0.00 -0.02 -0.08 -1.21 0.00 0.00 0.00 175.02 173.71 1hcy s GLU 579 N -3.84 3.40 0.45 2.03 2.02 -1.26 -0.91 118.70 120.59 1hcy s GLU 579 Ca 0.13 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.56 1hcy s GLU 579 Cb 0.05 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.47 1hcy s GLU 579 CO -0.04 0.00 0.61 -0.06 0.02 0.00 0.00 175.26 175.79 1hcy s PHE 580 N 0.93 2.49 -0.26 1.61 0.08 -1.06 -4.39 117.98 117.38 1hcy s PHE 580 Ca -0.01 -0.48 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 1hcy s PHE 580 Cb -0.15 -2.33 -0.00 0.00 -0.57 0.00 0.00 43.02 39.97 1hcy s PHE 580 CO 0.00 -0.57 0.03 1.21 -0.10 0.00 0.00 175.22 175.79 1hcy s ASN 581 N -4.41 4.80 -0.16 1.36 3.84 -1.17 -1.67 114.94 117.54 1hcy s ASN 581 Ca 0.56 -0.54 -0.07 0.00 0.21 0.00 0.00 52.86 53.02 1hcy s ASN 581 Cb -0.09 -1.82 -0.04 0.00 -0.55 0.00 0.00 41.25 38.75 1hcy s ASN 581 CO 0.34 -0.10 0.08 -0.22 -2.79 0.00 0.00 177.10 174.41 1hcy s LEU 582 N 1.50 3.98 -0.17 3.21 0.20 -0.61 -2.50 118.68 124.29 1hcy s LEU 582 Ca 0.04 0.20 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 1hcy s LEU 582 Cb -0.16 -1.99 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1hcy s LEU 582 CO 0.00 0.26 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.91 1hcy s TYR 583 N -0.12 2.88 -0.16 5.38 1.51 -0.78 -0.67 117.35 125.40 1hcy s TYR 583 Ca 0.08 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1hcy s TYR 583 Cb -0.12 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1hcy s TYR 583 CO 0.01 -0.35 -0.18 0.08 -1.11 0.00 0.00 175.55 174.00 1hcy s VAL 584 N 0.82 1.83 -0.06 0.71 1.01 -0.83 -1.68 120.40 122.20 1hcy s VAL 584 Ca -0.03 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1hcy s VAL 584 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1hcy s VAL 584 CO 0.01 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.38 1hcy s ALA 585 N 1.27 2.08 -0.18 5.51 0.00 -0.59 -1.77 121.76 128.09 1hcy s ALA 585 Ca 0.02 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1hcy s ALA 585 Cb -0.13 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1hcy s ALA 585 CO -0.10 0.38 -0.15 0.54 0.00 0.00 0.00 175.76 176.43 1hcy s VAL 586 N -0.04 1.80 0.47 0.00 0.11 0.55 -1.17 120.40 122.11 1hcy s VAL 586 Ca -0.06 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.15 1hcy s VAL 586 Cb -0.14 -1.72 0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1hcy s VAL 586 CO 0.04 0.39 0.65 0.42 -3.33 0.00 0.00 175.10 173.27 1hcy s THR 587 N 1.37 2.88 -0.86 5.04 -4.23 -0.88 -4.73 115.64 114.23 1hcy s THR 587 Ca 0.03 -0.88 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1hcy s THR 587 Cb -0.14 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.79 1hcy s THR 587 CO -0.11 0.00 1.18 -0.62 -0.54 0.00 0.00 174.62 174.53 1hcy s ASP 588 N -4.38 6.44 0.32 3.99 -1.08 -1.26 0.18 116.67 120.87 1hcy s ASP 588 Ca 0.56 -1.49 0.17 0.00 -0.52 0.00 0.00 52.55 51.27 1hcy s ASP 588 Cb -0.10 -2.46 1.13 0.00 -1.46 0.00 0.00 42.92 40.03 1hcy s ASP 588 CO 0.35 -1.33 1.36 0.61 0.52 0.00 0.00 175.17 176.68 1hcy n GLY 589 N 5.77 -0.68 0.23 2.66 0.00 -0.75 -0.17 105.19 112.26 1hcy n GLY 589 Ca 0.17 0.71 0.16 0.00 0.00 0.00 0.00 46.02 47.06 1hcy n GLY 589 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hcy h ASP 590 N 0.00 0.00 0.00 1.61 5.19 -1.91 -1.70 116.42 119.60 1hcy h ASP 590 Ca 0.72 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 1hcy h ASP 590 Cb 1.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.39 1hcy h ASP 590 CO -0.67 0.00 -1.59 1.17 -3.12 0.00 0.00 179.24 175.03 1hcy n LYS 591 N -2.79 0.71 0.00 3.56 4.81 0.77 -3.67 118.16 121.54 1hcy n LYS 591 Ca 0.01 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1hcy n LYS 591 Cb 0.26 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.92 1hcy n LYS 591 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1hcy n ASP 592 N -1.96 0.00 -2.03 3.14 9.92 -0.75 -2.92 116.55 121.96 1hcy n ASP 592 Ca -0.02 0.35 -0.06 0.00 -0.53 0.00 0.00 54.79 54.53 1hcy n ASP 592 Cb 0.41 -0.18 -0.09 0.00 -0.64 0.00 0.00 41.12 40.62 1hcy n ASP 592 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1hcy n THR 593 N -1.04 1.86 0.19 -3.53 -2.24 -0.72 -3.37 114.28 105.44 1hcy n THR 593 Ca 0.00 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1hcy n THR 593 Cb 0.00 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 1hcy n THR 593 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1hcy n GLU 594 N 2.40 0.75 0.00 -0.78 2.13 -1.15 -3.31 120.64 120.67 1hcy n GLU 594 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1hcy n GLU 594 Cb 0.55 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 31.14 1hcy n GLU 594 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hcy n GLY 595 N 1.12 0.00 0.00 8.31 0.00 -1.26 -5.02 105.19 108.34 1hcy n GLY 595 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hcy n GLY 595 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hcy n HIS 596 N -0.02 0.00 -0.52 1.61 1.44 -1.21 -5.16 115.22 111.37 1hcy n HIS 596 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 1hcy n HIS 596 Cb 0.00 0.00 0.25 0.00 0.12 0.00 0.00 29.99 30.36 1hcy n HIS 596 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1hcy s HIS 606 N -0.17 1.31 -0.06 -1.40 0.09 -1.26 -4.86 115.29 108.93 1hcy s HIS 606 Ca 0.00 1.22 0.09 0.00 -0.00 0.00 0.00 55.06 56.37 1hcy s HIS 606 Cb 0.00 -3.10 0.14 0.00 -0.00 0.00 0.00 32.58 29.62 1hcy s HIS 606 CO 0.00 -3.91 1.05 0.00 -0.00 0.00 0.00 174.74 171.89 1hcy n ALA 607 N -4.95 2.09 -0.13 -1.40 0.00 -1.26 -4.44 120.51 110.42 1hcy n ALA 607 Ca 0.03 -1.79 -0.26 0.00 0.00 0.00 0.00 53.44 51.42 1hcy n ALA 607 Cb 0.54 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 1hcy n ALA 607 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hcy n GLN 608 N -0.92 0.58 -3.53 0.00 1.13 -1.26 -4.16 117.38 109.21 1hcy n GLN 608 Ca 0.08 0.32 -0.42 0.00 -1.94 0.00 0.00 57.00 55.04 1hcy n GLN 608 Cb 0.48 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 1hcy n GLN 608 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hcy n GLY 610 N 4.05 2.27 0.60 0.00 0.00 -1.26 -4.57 105.19 106.28 1hcy n GLY 610 Ca 0.06 -0.05 0.40 0.00 0.00 0.00 0.00 46.02 46.42 1hcy n GLY 610 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hcy h VAL 611 N 1.18 0.10 -0.25 1.61 2.07 -1.88 -0.33 116.25 118.74 1hcy h VAL 611 Ca 0.01 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1hcy h VAL 611 Cb 0.89 0.12 -0.13 0.00 -1.52 0.00 0.00 31.29 30.66 1hcy h VAL 611 CO 0.01 0.00 -0.51 1.41 0.02 0.00 0.00 177.57 178.50 1hcy n HIS 612 N -3.73 0.88 0.00 1.57 8.25 -1.26 -4.82 115.22 116.10 1hcy n HIS 612 Ca 0.32 -1.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.05 1hcy n HIS 612 Cb 1.62 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 32.41 1hcy n HIS 612 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hcy n GLY 613 N -1.01 1.07 3.61 -1.41 0.00 -0.14 -4.90 105.19 102.41 1hcy n GLY 613 Ca 0.28 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 1hcy n GLY 613 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hcy n GLU 614 N -1.17 2.14 -1.68 1.61 1.02 -1.23 -4.73 120.64 116.60 1hcy n GLU 614 Ca 0.00 0.68 -0.43 0.00 -0.02 0.00 0.00 57.16 57.39 1hcy n GLU 614 Cb 0.00 -3.01 -0.03 0.00 -0.02 0.00 0.00 31.44 28.37 1hcy n GLU 614 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hcy n ALA 615 N 9.72 1.71 -1.64 0.62 0.00 -1.26 -4.56 120.51 125.10 1hcy n ALA 615 Ca 0.28 0.28 -0.49 0.00 0.00 0.00 0.00 53.44 53.50 1hcy n ALA 615 Cb 0.39 -2.60 -0.05 0.00 0.00 0.00 0.00 19.45 17.19 1hcy n ALA 615 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1hcy n TYR 616 N 6.37 1.94 0.15 0.00 9.36 -1.26 -4.89 117.16 128.83 1hcy n TYR 616 Ca 0.19 0.43 -0.00 0.00 3.32 0.00 0.00 57.90 61.84 1hcy n TYR 616 Cb 0.37 -2.45 0.23 0.00 -0.63 0.00 0.00 39.34 36.85 1hcy n TYR 616 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1hcy h PRO 617 N 5.56 0.01 -6.51 2.98 0.13 -1.90 -3.45 132.00 128.82 1hcy h PRO 617 Ca -0.46 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 1hcy h PRO 617 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1hcy h PRO 617 CO 0.85 0.54 0.04 0.34 -0.23 0.00 0.00 178.00 179.54 1hcy s ASP 618 N -6.88 6.93 -0.01 1.44 -1.08 -1.26 -3.83 116.67 111.98 1hcy s ASP 618 Ca -0.02 1.28 0.09 0.00 -0.52 0.00 0.00 52.55 53.38 1hcy s ASP 618 Cb 0.13 -2.37 -0.13 0.00 -1.46 0.00 0.00 42.92 39.09 1hcy s ASP 618 CO 0.75 0.02 0.23 0.59 0.52 0.00 0.00 175.17 177.28 1hcy n ASN 619 N 0.56 2.44 -4.68 -0.34 3.02 -1.22 -4.96 115.26 110.09 1hcy n ASN 619 Ca -0.02 -0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 1hcy n ASN 619 Cb 0.52 1.33 0.16 0.00 -0.61 0.00 0.00 39.78 41.18 1hcy n ASN 619 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hcy s ARG 620 N -2.47 1.12 0.00 3.52 3.00 -1.26 -4.98 118.95 117.87 1hcy s ARG 620 Ca -0.02 1.62 0.00 0.00 0.00 0.00 0.00 55.73 57.33 1hcy s ARG 620 Cb 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 34.95 33.28 1hcy s ARG 620 CO 0.37 -2.57 0.00 -0.35 0.00 0.00 0.00 175.30 172.75 1hcy n PRO 621 N -4.03 -0.76 -4.41 3.54 -0.04 -1.26 -4.96 135.00 123.07 1hcy n PRO 621 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.25 1hcy n PRO 621 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 1hcy n PRO 621 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hcy s LEU 622 N 0.00 3.25 0.00 1.53 1.02 -1.26 -4.14 118.68 119.08 1hcy s LEU 622 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.03 1hcy s LEU 622 Cb 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.43 1hcy s LEU 622 CO 0.00 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.16 1hcy n GLY 623 N 3.44 1.14 3.67 -3.19 0.00 -1.26 -4.80 105.19 104.19 1hcy n GLY 623 Ca -0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 1hcy n GLY 623 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1hcy n TYR 624 N -0.62 2.26 -1.57 1.61 4.19 -1.26 0.29 117.16 122.06 1hcy n TYR 624 Ca 0.00 0.16 -0.27 0.00 3.31 0.00 0.00 57.90 61.10 1hcy n TYR 624 Cb 0.00 -2.59 0.08 0.00 0.49 0.00 0.00 39.34 37.32 1hcy n TYR 624 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1hcy n PRO 625 N 4.93 2.86 -0.20 2.98 -0.04 -1.26 -4.92 135.00 139.35 1hcy n PRO 625 Ca 0.20 -3.55 0.12 0.00 -0.04 0.00 0.00 63.50 60.22 1hcy n PRO 625 Cb 0.28 -2.22 0.25 0.00 -0.04 0.00 0.00 33.50 31.77 1hcy n PRO 625 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hcy n LEU 626 N -0.89 3.27 -0.08 1.53 4.77 0.84 -4.29 117.00 122.14 1hcy n LEU 626 Ca 0.53 -1.45 0.15 0.00 -0.03 0.00 0.00 56.01 55.21 1hcy n LEU 626 Cb 0.88 -0.27 0.81 0.00 -2.33 0.00 0.00 43.42 42.51 1hcy n LEU 626 CO 0.58 0.73 1.03 -1.84 -1.33 0.00 0.00 177.39 176.55 1hcy n GLU 627 N 1.35 0.96 -4.40 3.23 0.00 -1.00 -4.64 120.64 116.15 1hcy n GLU 627 Ca 0.20 -0.17 -0.26 0.00 0.00 0.00 0.00 57.16 56.92 1hcy n GLU 627 Cb 0.57 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.40 1hcy n GLU 627 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1hcy s ARG 628 N -2.16 1.69 0.29 3.44 3.52 -1.26 -4.64 118.95 119.83 1hcy s ARG 628 Ca 0.41 -1.50 -0.29 0.00 -0.13 0.00 0.00 55.73 54.23 1hcy s ARG 628 Cb 0.21 -1.92 -0.14 0.00 -1.56 0.00 0.00 34.95 31.55 1hcy s ARG 628 CO 0.39 0.40 1.13 0.54 -0.81 0.00 0.00 175.30 176.95 1hcy n ARG 629 N 0.06 1.60 -3.54 5.12 1.74 -1.26 -4.87 116.66 115.52 1hcy n ARG 629 Ca -0.11 0.56 -0.28 0.00 -0.77 0.00 0.00 57.85 57.25 1hcy n ARG 629 Cb 0.56 -2.02 -0.11 0.00 -1.02 0.00 0.00 32.46 29.87 1hcy n ARG 629 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1hcy s ILE 630 N -0.92 0.87 0.10 0.55 1.01 -1.26 -4.37 121.20 117.18 1hcy s ILE 630 Ca 0.60 -2.71 -0.13 0.00 0.00 0.00 0.00 60.65 58.40 1hcy s ILE 630 Cb -0.67 -1.60 -0.13 0.00 0.01 0.00 0.00 42.46 40.06 1hcy s ILE 630 CO 0.59 -1.10 1.33 -0.65 0.00 0.00 0.00 174.94 175.12 1hcy h PRO 631 N 6.04 0.79 -4.67 2.79 0.11 -1.89 -3.42 132.00 131.74 1hcy h PRO 631 Ca 0.16 -0.58 -0.59 0.00 0.11 0.00 0.00 66.00 65.11 1hcy h PRO 631 Cb 0.90 0.10 -0.35 0.00 0.11 0.00 0.00 31.00 31.76 1hcy h PRO 631 CO 0.42 1.20 -0.83 0.16 -0.21 0.00 0.00 178.00 178.74 1hcy s ASP 632 N -6.97 2.52 0.54 -2.05 1.47 -1.26 -4.95 116.67 105.97 1hcy s ASP 632 Ca -0.11 -0.44 0.35 0.00 1.18 0.00 0.00 52.55 53.52 1hcy s ASP 632 Cb 0.09 -1.11 1.56 0.00 -0.34 0.00 0.00 42.92 43.11 1hcy s ASP 632 CO 0.89 -0.03 2.03 -0.08 0.68 0.00 0.00 175.17 178.66 1hcy h GLU 633 N 7.75 0.00 -1.34 2.11 4.81 -1.93 -2.84 114.58 123.14 1hcy h GLU 633 Ca -0.34 0.00 0.44 0.00 -0.13 0.00 0.00 59.36 59.33 1hcy h GLU 633 Cb 1.15 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.42 1hcy h GLU 633 CO 0.50 0.00 0.89 -2.13 -0.73 0.00 0.00 179.01 177.54 1hcy n ARG 634 N -2.96 -0.02 -0.04 1.92 0.63 -1.26 -1.02 116.66 113.91 1hcy n ARG 634 Ca -0.00 1.07 -0.21 0.00 -0.92 0.00 0.00 57.85 57.79 1hcy n ARG 634 Cb 0.23 -2.19 -0.13 0.00 0.45 0.00 0.00 32.46 30.82 1hcy n ARG 634 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1hcy h VAL 635 N 0.00 0.87 -0.99 5.15 2.07 -1.92 -3.33 116.25 118.11 1hcy h VAL 635 Ca 0.79 -2.30 0.10 0.00 0.82 0.00 0.00 66.70 66.11 1hcy h VAL 635 Cb 2.70 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 34.87 1hcy h VAL 635 CO -0.32 0.62 0.63 0.40 0.02 0.00 0.00 177.57 178.92 1hcy h ILE 636 N -0.45 0.99 0.00 4.57 5.03 -1.29 -1.05 117.51 125.31 1hcy h ILE 636 Ca -0.35 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1hcy h ILE 636 Cb 1.67 -0.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.30 1hcy h ILE 636 CO -0.03 0.19 0.07 0.47 -0.68 0.00 0.00 178.15 178.18 1hcy n ASP 637 N -4.56 0.00 -1.00 1.72 9.92 -0.56 -3.36 116.55 118.71 1hcy n ASP 637 Ca 0.17 0.35 0.05 0.00 -0.53 0.00 0.00 54.79 54.83 1hcy n ASP 637 Cb 0.28 -0.35 0.09 0.00 -0.64 0.00 0.00 41.12 40.50 1hcy n ASP 637 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1hcy n GLY 638 N -1.33 2.60 3.55 0.44 0.00 -0.40 -4.96 105.19 105.09 1hcy n GLY 638 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 1hcy n GLY 638 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hcy s VAL 639 N -1.28 3.99 0.31 1.61 -7.23 -1.21 -5.02 120.40 111.56 1hcy s VAL 639 Ca 0.32 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1hcy s VAL 639 Cb 0.34 -2.72 0.11 0.00 0.56 0.00 0.00 36.38 34.67 1hcy s VAL 639 CO -0.11 0.53 1.79 0.77 -0.31 0.00 0.00 175.10 177.78 1hcy h SER 640 N 6.21 0.48 -0.37 4.85 4.64 -1.90 -3.22 113.55 124.23 1hcy h SER 640 Ca -0.37 -0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 60.65 1hcy h SER 640 Cb 1.19 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 63.05 1hcy h SER 640 CO 0.60 0.65 0.21 -0.46 -0.87 0.00 0.00 176.83 176.96 1hcy n ASN 641 N -4.19 3.23 -3.98 4.97 2.04 -1.24 -2.36 115.26 113.72 1hcy n ASN 641 Ca 0.00 -2.60 -0.15 0.00 -0.44 0.00 0.00 54.58 51.39 1hcy n ASN 641 Cb 0.33 -0.63 -0.14 0.00 -2.53 0.00 0.00 39.78 36.82 1hcy n ASN 641 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1hcy s ILE 642 N -1.42 0.45 -0.10 1.53 1.01 -1.22 0.20 121.20 121.66 1hcy s ILE 642 Ca 0.23 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1hcy s ILE 642 Cb 0.19 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 42.29 1hcy s ILE 642 CO 0.05 0.03 0.40 -0.75 0.00 0.00 0.00 174.94 174.67 1hcy s LYS 643 N -0.39 0.58 0.02 2.79 2.36 -0.73 -4.81 119.74 119.57 1hcy s LYS 643 Ca -0.00 0.30 0.05 0.00 -2.55 0.00 0.00 55.97 53.78 1hcy s LYS 643 Cb -0.03 0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 37.00 1hcy s LYS 643 CO -0.00 -0.12 -0.16 -3.38 1.55 0.00 0.00 175.35 173.24 1hcy s HIS 644 N -0.38 1.44 0.01 4.03 -3.43 -1.26 -1.97 115.29 113.73 1hcy s HIS 644 Ca -0.05 -0.32 0.04 0.00 -0.80 0.00 0.00 55.06 53.92 1hcy s HIS 644 Cb -0.03 -0.88 -0.01 0.00 -1.43 0.00 0.00 32.58 30.22 1hcy s HIS 644 CO 0.02 0.03 -0.11 0.54 -2.00 0.00 0.00 174.74 173.22 1hcy s VAL 645 N -0.64 0.89 0.26 -5.38 0.11 0.15 -4.91 120.40 110.88 1hcy s VAL 645 Ca 0.05 -0.61 -0.22 0.00 -2.93 0.00 0.00 61.98 58.27 1hcy s VAL 645 Cb -0.07 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 1hcy s VAL 645 CO 0.01 0.15 0.79 0.68 -3.33 0.00 0.00 175.10 173.40 1hcy s VAL 646 N -0.44 4.46 0.53 2.04 -7.23 -1.26 -1.58 120.40 116.92 1hcy s VAL 646 Ca 0.03 1.45 0.05 0.00 -1.81 0.00 0.00 61.98 61.70 1hcy s VAL 646 Cb -0.05 -3.90 0.03 0.00 0.56 0.00 0.00 36.38 33.01 1hcy s VAL 646 CO 0.00 0.18 0.34 0.68 -0.31 0.00 0.00 175.10 175.99 1hcy s VAL 647 N -1.56 1.63 -0.12 1.32 -7.23 -0.67 -4.88 120.40 108.89 1hcy s VAL 647 Ca 0.45 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.98 1hcy s VAL 647 Cb -0.17 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.62 1hcy s VAL 647 CO 0.22 0.00 0.29 -0.75 -0.31 0.00 0.00 175.10 174.54 1hcy s LYS 648 N -4.21 0.29 -0.03 4.82 2.20 -1.26 -2.57 119.74 118.97 1hcy s LYS 648 Ca 0.31 0.51 0.06 0.00 -0.36 0.00 0.00 55.97 56.48 1hcy s LYS 648 Cb -0.02 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.32 1hcy s LYS 648 CO 0.19 -0.11 -0.22 0.42 -0.36 0.00 0.00 175.35 175.27 1hcy s ILE 649 N 0.77 1.79 0.04 5.43 1.01 -0.09 -4.24 121.20 125.91 1hcy s ILE 649 Ca -0.05 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.73 1hcy s ILE 649 Cb -0.06 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1hcy s ILE 649 CO -0.05 0.50 -0.21 -0.69 0.00 0.00 0.00 174.94 174.49 1hcy s VAL 650 N -0.30 1.69 -0.33 2.92 1.01 0.79 -0.67 120.40 125.51 1hcy s VAL 650 Ca 0.02 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1hcy s VAL 650 Cb -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1hcy s VAL 650 CO 0.01 0.25 0.12 -2.28 0.00 0.00 0.00 175.10 173.20 1hcy s HIS 651 N -0.76 3.21 -0.09 5.22 2.46 0.22 -0.54 115.29 125.01 1hcy s HIS 651 Ca 0.08 -1.12 -0.30 0.00 0.47 0.00 0.00 55.06 54.19 1hcy s HIS 651 Cb -0.09 -2.31 -0.02 0.00 -0.13 0.00 0.00 32.58 30.03 1hcy s HIS 651 CO 0.01 -0.64 1.13 -1.01 -2.47 0.00 0.00 174.74 171.77 1hcy s HIS 652 N 1.48 3.28 -2.00 3.88 3.76 0.08 -4.16 115.29 121.60 1hcy s HIS 652 Ca 0.01 1.34 0.14 0.00 -0.15 0.00 0.00 55.06 56.39 1hcy s HIS 652 Cb -0.18 -3.34 0.82 0.00 1.11 0.00 0.00 32.58 30.98 1hcy s HIS 652 CO 0.04 -0.94 1.24 -0.11 -0.85 0.00 0.00 174.74 174.12