#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a73 s HIS 3 N 0.00 3.06 -0.01 0.00 3.76 -1.26 -5.05 115.29 115.79 3a73 s HIS 3 Ca 0.00 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 3a73 s HIS 3 Cb 0.00 -1.66 -0.20 0.00 1.11 0.00 0.00 32.58 31.83 3a73 s HIS 3 CO 0.00 0.30 1.16 -0.22 -0.85 0.00 0.00 174.74 175.13 3a73 h LYS 4 N 1.28 0.27 -4.62 1.40 3.11 -1.95 -3.39 116.57 112.67 3a73 h LYS 4 Ca -0.47 -0.22 -0.68 0.00 -2.81 0.00 0.00 60.65 56.47 3a73 h LYS 4 Cb 1.25 0.05 -0.35 0.00 -1.00 0.00 0.00 32.23 32.17 3a73 h LYS 4 CO 0.59 0.87 -0.63 0.45 -2.81 0.00 0.00 179.45 177.92 3a73 s SER 5 N -6.30 5.03 0.24 4.20 0.15 -1.26 -4.15 113.70 111.61 3a73 s SER 5 Ca -0.15 -1.83 0.03 0.00 0.70 0.00 0.00 55.95 54.70 3a73 s SER 5 Cb 0.03 -1.75 0.27 0.00 -1.71 0.00 0.00 66.02 62.86 3a73 s SER 5 CO 0.76 -0.42 1.59 -0.08 1.20 0.00 0.00 173.24 176.28 3a73 h GLU 6 N 7.94 0.34 -0.16 5.44 4.57 -1.77 -1.69 114.58 129.24 3a73 h GLU 6 Ca -0.14 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 57.75 3a73 h GLU 6 Cb 1.05 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 3a73 h GLU 6 CO 0.61 0.78 -0.30 -0.24 -1.18 0.00 0.00 179.01 178.68 3a73 h VAL 7 N 0.26 1.27 -0.43 0.32 3.04 -1.83 -0.99 116.25 117.90 3a73 h VAL 7 Ca 0.01 -1.28 -0.11 0.00 -1.01 0.00 0.00 66.70 64.31 3a73 h VAL 7 Cb 1.01 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 3a73 h VAL 7 CO 0.09 0.39 -0.17 0.00 -1.01 0.00 0.00 177.57 176.86 3a73 h ALA 8 N 1.41 0.59 -0.32 3.17 0.00 -1.71 -1.99 119.26 120.42 3a73 h ALA 8 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3a73 h ALA 8 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3a73 h ALA 8 CO 0.05 0.54 0.09 1.25 0.00 0.00 0.00 179.25 181.18 3a73 h HIS 9 N 0.69 0.52 -0.47 0.00 6.17 -1.11 -0.26 115.15 120.70 3a73 h HIS 9 Ca 0.10 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3a73 h HIS 9 Cb 0.73 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 3a73 h HIS 9 CO 0.05 0.54 0.31 0.00 0.71 0.00 0.00 177.93 179.54 3a73 h ARG 10 N 0.36 0.63 -0.36 5.26 2.47 -1.05 0.85 114.38 122.54 3a73 h ARG 10 Ca 0.10 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.71 3a73 h ARG 10 Cb 0.26 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3a73 h ARG 10 CO -0.00 0.42 -0.07 0.35 0.56 0.00 0.00 179.97 181.22 3a73 h PHE 11 N 0.64 0.77 -0.50 3.04 3.57 -1.25 0.86 116.94 124.07 3a73 h PHE 11 Ca 0.17 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3a73 h PHE 11 Cb -0.07 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3a73 h PHE 11 CO -0.04 0.83 0.08 0.87 -2.23 0.00 0.00 178.31 177.82 3a73 h LYS 12 N 0.48 0.79 0.10 1.11 1.57 -0.80 -0.75 116.57 119.06 3a73 h LYS 12 Ca 0.09 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 3a73 h LYS 12 Cb 0.58 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.78 3a73 h LYS 12 CO 0.03 0.74 -0.85 0.22 -0.57 0.00 0.00 179.45 179.02 3a73 h ASP 13 N 0.75 0.33 -0.21 0.86 -0.00 -0.62 -3.35 116.42 114.19 3a73 h ASP 13 Ca 0.16 -0.91 -0.05 0.00 -0.00 0.00 0.00 57.03 56.24 3a73 h ASP 13 Cb 0.34 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.54 3a73 h ASP 13 CO 0.01 1.39 -0.01 -0.07 -0.00 0.00 0.00 179.24 180.56 3a73 h LEU 14 N -0.51 0.46 -0.07 2.28 3.38 -0.91 -3.47 115.31 116.48 3a73 h LEU 14 Ca -0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3a73 h LEU 14 Cb 1.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 3a73 h LEU 14 CO 0.08 0.54 -0.08 0.61 0.09 0.00 0.00 178.44 179.67 3a73 n GLY 15 N -0.90 -2.87 0.27 0.83 0.00 -0.29 -4.32 105.19 97.91 3a73 n GLY 15 Ca 0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 3a73 n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a73 h GLU 16 N -0.00 0.81 -0.12 1.61 4.81 -1.95 -0.26 114.58 119.46 3a73 h GLU 16 Ca -0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3a73 h GLU 16 Cb 0.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3a73 h GLU 16 CO 0.00 0.53 0.00 0.93 -0.73 0.00 0.00 179.01 179.75 3a73 h GLU 17 N 0.83 0.04 -0.18 1.92 4.39 -1.96 -0.58 114.58 119.04 3a73 h GLU 17 Ca 0.29 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 3a73 h GLU 17 Cb 0.05 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3a73 h GLU 17 CO -0.12 0.03 -0.43 -0.91 -1.16 0.00 0.00 179.01 176.42 3a73 h ASN 18 N 0.04 0.45 -0.34 1.42 2.35 -1.68 -2.39 115.58 115.44 3a73 h ASN 18 Ca 0.06 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3a73 h ASN 18 Cb 0.07 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3a73 h ASN 18 CO -0.10 0.82 0.12 0.15 -1.65 0.00 0.00 177.43 176.77 3a73 h PHE 19 N 0.35 0.53 -0.33 1.19 3.57 -0.57 -1.77 116.94 119.91 3a73 h PHE 19 Ca 0.03 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3a73 h PHE 19 Cb 0.90 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3a73 h PHE 19 CO 0.03 0.51 -0.15 0.87 -2.23 0.00 0.00 178.31 177.35 3a73 h LYS 20 N 0.39 0.59 -0.31 1.11 1.57 -0.95 -0.37 116.57 118.60 3a73 h LYS 20 Ca 0.11 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 3a73 h LYS 20 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3a73 h LYS 20 CO -0.01 0.72 -0.32 0.00 -0.57 0.00 0.00 179.45 179.27 3a73 h ALA 21 N 1.31 0.86 0.06 3.86 0.00 -1.13 -0.42 119.26 123.80 3a73 h ALA 21 Ca 0.09 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 3a73 h ALA 21 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3a73 h ALA 21 CO 0.04 0.63 -1.64 -0.07 0.00 0.00 0.00 179.25 178.21 3a73 h LEU 22 N 0.57 0.21 -0.14 0.00 3.38 -0.65 -1.66 115.31 117.03 3a73 h LEU 22 Ca 0.07 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3a73 h LEU 22 Cb 0.82 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3a73 h LEU 22 CO 0.07 1.32 -0.05 0.58 0.09 0.00 0.00 178.44 180.45 3a73 h VAL 23 N 0.04 0.83 -0.20 1.22 2.07 -1.09 -1.01 116.25 118.11 3a73 h VAL 23 Ca -0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3a73 h VAL 23 Cb 2.00 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 3a73 h VAL 23 CO 0.11 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.75 3a73 h LEU 24 N -0.02 -0.65 -0.37 2.57 5.85 -0.94 -0.90 115.31 120.85 3a73 h LEU 24 Ca 0.07 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3a73 h LEU 24 Cb 0.13 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3a73 h LEU 24 CO -0.16 -0.25 0.21 0.40 -0.34 0.00 0.00 178.44 178.30 3a73 h ILE 25 N -0.22 1.01 -0.81 4.05 2.04 -1.20 0.05 117.51 122.43 3a73 h ILE 25 Ca 0.12 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3a73 h ILE 25 Cb 0.41 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3a73 h ILE 25 CO -0.33 0.08 0.46 0.00 0.00 0.00 0.00 178.15 178.35 3a73 h ALA 26 N 1.18 1.04 -0.07 1.87 0.00 -0.86 -1.91 119.26 120.51 3a73 h ALA 26 Ca 0.15 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3a73 h ALA 26 Cb 0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3a73 h ALA 26 CO -0.09 0.54 -0.78 0.74 0.00 0.00 0.00 179.25 179.67 3a73 h PHE 27 N 1.13 0.61 0.00 0.00 0.04 -0.90 -3.15 116.94 114.67 3a73 h PHE 27 Ca 0.29 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3a73 h PHE 27 Cb 0.02 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 3a73 h PHE 27 CO 0.00 1.06 -0.10 0.00 -0.60 0.00 0.00 178.31 178.67 3a73 h ALA 28 N 0.86 1.58 0.00 2.45 0.00 -0.52 -1.05 119.26 122.58 3a73 h ALA 28 Ca -0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3a73 h ALA 28 Cb 1.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3a73 h ALA 28 CO 0.14 0.13 -0.52 1.96 0.00 0.00 0.00 179.25 180.96 3a73 h GLN 29 N 0.00 0.00 0.02 0.00 4.20 -1.32 -3.18 115.11 114.82 3a73 h GLN 29 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 3a73 h GLN 29 Cb 0.22 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 3a73 h GLN 29 CO 0.01 0.52 -2.28 0.66 -0.67 0.00 0.00 178.83 177.07 3a73 n TYR 30 N -3.41 0.32 -3.06 2.96 4.01 -1.05 -4.50 117.16 112.43 3a73 n TYR 30 Ca 0.01 0.09 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 3a73 n TYR 30 Cb 0.65 -1.05 -0.01 0.00 -0.31 0.00 0.00 39.34 38.62 3a73 n TYR 30 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3a73 n LEU 31 N -3.10 5.79 0.28 7.72 4.77 -0.43 -4.90 117.00 127.15 3a73 n LEU 31 Ca -0.36 -5.32 0.16 0.00 -0.03 0.00 0.00 56.01 50.46 3a73 n LEU 31 Cb 1.06 -1.08 0.83 0.00 -2.33 0.00 0.00 43.42 41.91 3a73 n LEU 31 CO 0.37 1.86 1.03 1.56 -1.33 0.00 0.00 177.39 180.87 3a73 h GLN 32 N 4.87 0.00 0.00 3.23 4.20 -1.78 -3.06 115.11 122.57 3a73 h GLN 32 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3a73 h GLN 32 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3a73 h GLN 32 CO 1.17 0.07 -1.13 1.04 -0.67 0.00 0.00 178.83 179.31 3a73 n GLN 33 N -3.40 0.31 -2.09 1.46 6.02 -1.26 -4.92 117.38 113.51 3a73 n GLN 33 Ca -0.02 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.54 3a73 n GLN 33 Cb 0.21 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 3a73 n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a73 s PRO 35 N -1.87 2.46 0.13 0.00 0.01 -1.26 -4.84 135.00 129.63 3a73 s PRO 35 Ca 0.50 1.95 -0.19 0.00 0.01 0.00 0.00 61.00 63.28 3a73 s PRO 35 Cb -0.40 -1.85 -0.01 0.00 0.01 0.00 0.00 34.50 32.25 3a73 s PRO 35 CO 0.53 -1.64 1.73 0.35 0.01 0.00 0.00 177.00 177.99 3a73 h PHE 36 N 0.33 0.05 -0.38 6.54 3.57 -2.00 -2.24 116.94 122.81 3a73 h PHE 36 Ca -0.50 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.02 3a73 h PHE 36 Cb 1.32 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 3a73 h PHE 36 CO 0.43 0.01 0.25 1.05 -2.23 0.00 0.00 178.31 177.82 3a73 h GLU 37 N 0.12 0.48 0.18 1.11 9.09 -1.99 -0.12 114.58 123.46 3a73 h GLU 37 Ca 0.11 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.48 3a73 h GLU 37 Cb 0.12 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3a73 h GLU 37 CO -0.16 0.32 -0.09 -0.44 0.05 0.00 0.00 179.01 178.69 3a73 h ASP 38 N 0.50 -0.21 -0.95 3.06 3.45 -1.79 -1.60 116.42 118.88 3a73 h ASP 38 Ca 0.14 0.01 0.06 0.00 0.43 0.00 0.00 57.03 57.67 3a73 h ASP 38 Cb -0.04 0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 38.73 3a73 h ASP 38 CO -0.03 -0.15 0.62 0.45 -1.57 0.00 0.00 179.24 178.56 3a73 h HIS 39 N -0.24 1.13 -0.87 4.55 3.86 -0.90 -2.18 115.15 120.49 3a73 h HIS 39 Ca -0.02 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3a73 h HIS 39 Cb 0.19 -0.37 -0.05 0.00 1.06 0.00 0.00 27.41 28.24 3a73 h HIS 39 CO -0.07 0.61 0.57 0.28 0.86 0.00 0.00 177.93 180.18 3a73 h VAL 40 N 1.12 1.17 -0.20 2.45 2.07 -0.75 -0.80 116.25 121.31 3a73 h VAL 40 Ca 0.40 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3a73 h VAL 40 Cb 0.13 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3a73 h VAL 40 CO -0.15 0.21 -0.12 0.11 0.02 0.00 0.00 177.57 177.64 3a73 h LYS 41 N 1.13 0.44 -0.84 1.57 1.57 -0.77 -1.53 116.57 118.13 3a73 h LYS 41 Ca 0.34 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3a73 h LYS 41 Cb -0.05 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 3a73 h LYS 41 CO -0.10 0.75 0.51 -0.07 -0.57 0.00 0.00 179.45 179.97 3a73 h LEU 42 N 0.12 0.79 -0.54 2.94 3.38 -1.19 -0.04 115.31 120.77 3a73 h LEU 42 Ca 0.04 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3a73 h LEU 42 Cb 0.63 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3a73 h LEU 42 CO 0.03 0.49 0.09 0.58 0.09 0.00 0.00 178.44 179.72 3a73 h VAL 43 N 0.91 1.25 -0.12 1.22 2.07 -0.93 0.67 116.25 121.33 3a73 h VAL 43 Ca 0.38 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3a73 h VAL 43 Cb 0.23 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3a73 h VAL 43 CO -0.19 0.34 0.07 0.78 0.02 0.00 0.00 177.57 178.59 3a73 h ASN 44 N 0.77 0.15 -0.46 0.57 -0.26 -0.89 0.27 115.58 115.73 3a73 h ASN 44 Ca 0.16 -0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.88 3a73 h ASN 44 Cb 0.40 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.58 3a73 h ASN 44 CO 0.01 0.18 0.21 -0.33 -1.06 0.00 0.00 177.43 176.43 3a73 h GLU 45 N 0.10 0.40 -0.54 0.81 5.08 -0.92 0.27 114.58 119.79 3a73 h GLU 45 Ca 0.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3a73 h GLU 45 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3a73 h GLU 45 CO -0.01 0.27 -0.00 0.28 -1.00 0.00 0.00 179.01 178.54 3a73 h VAL 46 N 0.41 1.26 -0.36 3.13 2.07 -0.54 -1.86 116.25 120.36 3a73 h VAL 46 Ca 0.21 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3a73 h VAL 46 Cb 0.15 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3a73 h VAL 46 CO -0.17 0.39 -0.00 0.74 0.02 0.00 0.00 177.57 178.55 3a73 h THR 47 N 0.86 1.26 -0.56 2.57 2.02 -0.22 0.78 112.91 119.62 3a73 h THR 47 Ca 0.16 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 3a73 h THR 47 Cb 0.51 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3a73 h THR 47 CO 0.03 0.33 0.18 -0.08 0.37 0.00 0.00 175.52 176.34 3a73 h GLU 48 N 0.44 0.87 -0.30 6.66 4.57 -0.87 -0.70 114.58 125.26 3a73 h GLU 48 Ca 0.10 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3a73 h GLU 48 Cb 0.46 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3a73 h GLU 48 CO 0.02 0.79 0.00 0.35 -1.18 0.00 0.00 179.01 178.99 3a73 h PHE 49 N 0.78 0.57 -1.19 0.92 3.57 -1.24 -1.41 116.94 118.94 3a73 h PHE 49 Ca 0.18 -0.10 0.34 0.00 3.53 0.00 0.00 57.97 61.92 3a73 h PHE 49 Cb 0.28 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 3a73 h PHE 49 CO 0.02 0.65 0.82 0.00 -2.23 0.00 0.00 178.31 177.57 3a73 h ALA 50 N 0.84 2.84 -0.09 2.41 0.00 -0.55 -1.22 119.26 123.48 3a73 h ALA 50 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3a73 h ALA 50 Cb 0.43 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3a73 h ALA 50 CO 0.01 -1.24 -0.35 0.87 0.00 0.00 0.00 179.25 178.55 3a73 h LYS 51 N 0.13 0.19 0.00 0.00 1.57 0.01 -1.11 116.57 117.36 3a73 h LYS 51 Ca 0.61 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 59.14 3a73 h LYS 51 Cb 2.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.40 3a73 h LYS 51 CO -0.14 0.52 -0.84 1.79 -0.57 0.00 0.00 179.45 180.21 3a73 h THR 52 N 0.16 1.56 -0.27 -0.16 1.35 -1.05 -2.34 112.91 112.17 3a73 h THR 52 Ca 0.02 -2.74 -0.18 0.00 -0.55 0.00 0.00 66.41 62.95 3a73 h THR 52 Cb 0.70 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3a73 h THR 52 CO 0.05 0.79 -0.56 0.00 -0.25 0.00 0.00 175.52 175.55 3a73 h VAL 54 N 0.62 1.26 0.00 0.00 2.07 -1.12 -1.42 116.25 117.66 3a73 h VAL 54 Ca 0.01 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 3a73 h VAL 54 Cb 1.16 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3a73 h VAL 54 CO 0.12 0.33 -0.58 0.00 0.02 0.00 0.00 177.57 177.46 3a73 h ALA 55 N 1.21 0.85 -1.29 1.67 0.00 -1.36 -3.42 119.26 116.91 3a73 h ALA 55 Ca 0.27 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3a73 h ALA 55 Cb 0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 17.64 3a73 h ALA 55 CO -0.03 0.73 -0.48 0.34 0.00 0.00 0.00 179.25 179.81 3a73 s ASP 56 N -6.64 -0.76 0.17 0.00 3.68 -0.42 -4.99 116.67 107.72 3a73 s ASP 56 Ca 0.00 -0.53 0.10 0.00 2.13 0.00 0.00 52.55 54.25 3a73 s ASP 56 Cb 0.11 1.60 0.57 0.00 -1.45 0.00 0.00 42.92 43.75 3a73 s ASP 56 CO 0.74 -0.26 1.28 -1.84 0.13 0.00 0.00 175.17 175.22 3a73 n GLU 57 N 4.88 0.07 -0.20 4.34 0.28 -0.57 -0.96 120.64 128.48 3a73 n GLU 57 Ca 0.07 0.54 0.12 0.00 -0.16 0.00 0.00 57.16 57.72 3a73 n GLU 57 Cb 0.53 -1.80 0.25 0.00 1.43 0.00 0.00 31.44 31.85 3a73 n GLU 57 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3a73 n SER 58 N -1.85 3.25 -4.83 -1.84 7.64 -1.26 -4.46 113.62 110.27 3a73 n SER 58 Ca -0.01 -1.96 -0.31 0.00 1.01 0.00 0.00 58.87 57.61 3a73 n SER 58 Cb 0.09 -0.26 0.06 0.00 -1.01 0.00 0.00 64.21 63.09 3a73 n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a73 s ALA 59 N -1.48 2.64 0.33 -0.43 0.00 -0.14 -4.91 121.76 117.77 3a73 s ALA 59 Ca 0.39 -0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 3a73 s ALA 59 Cb 0.22 -3.13 -0.12 0.00 0.00 0.00 0.00 23.12 20.10 3a73 s ALA 59 CO 0.31 -1.29 1.50 0.39 0.00 0.00 0.00 175.76 176.67 3a73 n GLU 60 N -3.15 2.57 -0.66 0.00 4.71 -1.26 -1.43 120.64 121.41 3a73 n GLU 60 Ca 0.07 0.91 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 3a73 n GLU 60 Cb 0.55 -2.63 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 3a73 n GLU 60 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3a73 n ASN 61 N 1.24 0.00 0.24 1.62 3.02 -1.26 -4.82 115.26 115.30 3a73 n ASN 61 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.72 3a73 n ASN 61 Cb 0.37 -0.96 0.52 0.00 -0.61 0.00 0.00 39.78 39.10 3a73 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a73 n ASP 63 N -3.31 0.62 -4.80 0.00 5.75 -1.26 -4.23 116.55 109.33 3a73 n ASP 63 Ca 0.00 -1.24 -0.33 0.00 -0.01 0.00 0.00 54.79 53.21 3a73 n ASP 63 Cb 0.39 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3a73 n ASP 63 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3a73 s LYS 64 N -1.99 3.43 0.72 0.11 1.02 -0.99 -4.89 119.74 117.15 3a73 s LYS 64 Ca 0.42 1.29 -0.11 0.00 0.02 0.00 0.00 55.97 57.60 3a73 s LYS 64 Cb 0.21 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 3a73 s LYS 64 CO 0.34 -0.73 1.07 -1.54 -0.92 0.00 0.00 175.35 173.58 3a73 s SER 65 N -2.46 5.19 0.14 2.83 1.04 -1.26 -4.48 113.70 114.69 3a73 s SER 65 Ca 0.66 1.46 -0.16 0.00 0.48 0.00 0.00 55.95 58.39 3a73 s SER 65 Cb -0.17 -2.31 -0.00 0.00 0.10 0.00 0.00 66.02 63.64 3a73 s SER 65 CO 0.31 -1.55 1.73 -0.07 0.98 0.00 0.00 173.24 174.65 3a73 h LEU 66 N -0.79 0.50 -0.71 2.42 -0.00 -1.95 -1.83 115.31 112.95 3a73 h LEU 66 Ca -0.45 -0.11 0.13 0.00 -0.00 0.00 0.00 57.88 57.45 3a73 h LEU 66 Cb 1.23 -0.13 -0.09 0.00 -0.00 0.00 0.00 40.66 41.67 3a73 h LEU 66 CO 0.59 0.46 0.27 0.45 -0.00 0.00 0.00 178.44 180.21 3a73 h HIS 67 N 0.49 0.47 -0.14 1.13 3.86 -1.99 -0.84 115.15 118.12 3a73 h HIS 67 Ca 0.13 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3a73 h HIS 67 Cb 0.09 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3a73 h HIS 67 CO -0.02 0.07 0.05 1.15 0.86 0.00 0.00 177.93 180.04 3a73 h THR 68 N 0.43 1.17 -0.31 2.45 2.02 -1.82 -1.71 112.91 115.14 3a73 h THR 68 Ca 0.38 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3a73 h THR 68 Cb 0.54 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3a73 h THR 68 CO -0.37 0.16 0.20 -0.07 0.37 0.00 0.00 175.52 175.80 3a73 h LEU 69 N 0.05 0.37 0.27 2.58 3.38 -1.11 -0.43 115.31 120.42 3a73 h LEU 69 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a73 h LEU 69 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3a73 h LEU 69 CO -0.00 0.29 -0.30 0.15 0.09 0.00 0.00 178.44 178.66 3a73 h PHE 70 N 0.41 -0.82 -0.56 1.13 3.57 -1.10 -0.83 116.94 118.75 3a73 h PHE 70 Ca 0.11 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3a73 h PHE 70 Cb -0.02 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3a73 h PHE 70 CO -0.05 -0.43 0.32 0.78 -2.23 0.00 0.00 178.31 176.70 3a73 h GLY 71 N -0.62 0.80 1.25 2.40 0.00 -1.19 -1.16 103.07 104.55 3a73 h GLY 71 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.12 3a73 h GLY 71 CO -0.08 0.17 0.46 -0.55 0.00 0.00 0.00 176.54 176.54 3a73 h ASP 72 N 0.62 0.75 -0.23 0.19 3.45 -0.88 0.13 116.42 120.45 3a73 h ASP 72 Ca 0.24 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.64 3a73 h ASP 72 Cb 0.08 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 3a73 h ASP 72 CO -0.13 0.53 -0.03 0.50 -1.57 0.00 0.00 179.24 178.54 3a73 h LYS 73 N 0.88 0.42 -0.86 3.56 1.63 -0.19 -2.33 116.57 119.69 3a73 h LYS 73 Ca 0.27 -0.15 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 3a73 h LYS 73 Cb -0.01 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 3a73 h LYS 73 CO -0.07 0.63 0.56 -0.07 -3.45 0.00 0.00 179.45 177.05 3a73 h LEU 74 N 0.17 0.77 -0.02 5.20 3.38 -0.40 -0.23 115.31 124.19 3a73 h LEU 74 Ca 0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3a73 h LEU 74 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3a73 h LEU 74 CO 0.02 0.47 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 3a73 h THR 76 N 0.05 1.28 -1.51 0.00 1.35 -0.66 -3.46 112.91 109.95 3a73 h THR 76 Ca 0.00 -2.97 -0.75 0.00 -0.55 0.00 0.00 66.41 62.14 3a73 h THR 76 Cb 0.36 2.61 0.01 0.00 -1.73 0.00 0.00 68.15 69.40 3a73 h THR 76 CO 0.00 0.73 0.90 1.33 -0.25 0.00 0.00 175.52 178.23 3a73 n VAL 77 N -3.21 0.30 0.20 6.82 0.24 -1.10 -4.78 118.33 116.79 3a73 n VAL 77 Ca -0.05 -0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.24 3a73 n VAL 77 Cb 0.94 -1.20 0.41 0.00 -1.47 0.00 0.00 33.84 32.53 3a73 n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a73 h ALA 78 N 7.18 1.35 -0.41 2.33 0.00 -1.91 -2.82 119.26 124.98 3a73 h ALA 78 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3a73 h ALA 78 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3a73 h ALA 78 CO 0.97 0.41 0.00 0.25 0.00 0.00 0.00 179.25 180.87 3a73 n THR 79 N -3.99 2.49 -0.33 0.00 -2.24 -1.26 -4.68 114.28 104.26 3a73 n THR 79 Ca -0.02 -1.65 -0.12 0.00 -2.27 0.00 0.00 64.05 59.99 3a73 n THR 79 Cb 0.38 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 3a73 n THR 79 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3a73 h LEU 80 N 2.83 -2.05 -0.28 3.22 5.85 -1.87 -0.08 115.31 122.93 3a73 h LEU 80 Ca 0.00 0.30 0.03 0.00 0.84 0.00 0.00 57.88 59.06 3a73 h LEU 80 Cb 1.69 0.89 -0.03 0.00 0.37 0.00 0.00 40.66 43.58 3a73 h LEU 80 CO 0.34 -0.28 0.08 -0.09 -0.34 0.00 0.00 178.44 178.15 3a73 h ARG 81 N -0.12 0.18 -0.25 1.25 2.43 -1.84 0.41 114.38 116.45 3a73 h ARG 81 Ca 0.14 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3a73 h ARG 81 Cb 0.47 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3a73 h ARG 81 CO -0.84 0.12 -0.01 1.49 -1.51 0.00 0.00 179.97 179.23 3a73 h GLU 82 N 0.19 0.45 0.11 0.20 4.81 -1.67 -0.93 114.58 117.73 3a73 h GLU 82 Ca 0.12 -0.15 -0.29 0.00 -0.13 0.00 0.00 59.36 58.92 3a73 h GLU 82 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3a73 h GLU 82 CO -0.15 0.63 -1.42 1.15 -0.73 0.00 0.00 179.01 178.49 3a73 h THR 83 N 0.22 1.28 -0.12 0.32 2.02 -0.98 -3.39 112.91 112.25 3a73 h THR 83 Ca 0.07 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.34 3a73 h THR 83 Cb 0.43 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3a73 h THR 83 CO 0.01 0.84 0.00 -1.22 0.37 0.00 0.00 175.52 175.52 3a73 n TYR 84 N -3.45 0.15 0.00 3.16 4.01 0.14 -5.06 117.16 116.11 3a73 n TYR 84 Ca -0.13 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 3a73 n TYR 84 Cb 1.03 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 3a73 n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a73 n GLY 85 N 0.50 2.73 0.10 2.72 0.00 -0.36 -2.57 105.19 108.30 3a73 n GLY 85 Ca 0.07 0.32 0.10 0.00 0.00 0.00 0.00 46.02 46.52 3a73 n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a73 n GLU 86 N 7.95 0.14 0.25 1.61 0.28 -1.26 -2.03 120.64 127.58 3a73 n GLU 86 Ca 0.00 0.39 0.09 0.00 -0.16 0.00 0.00 57.16 57.48 3a73 n GLU 86 Cb 0.00 -1.77 0.63 0.00 1.43 0.00 0.00 31.44 31.73 3a73 n GLU 86 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 3a73 h MET 87 N 0.00 0.00 0.00 3.44 4.05 -1.85 -2.64 114.93 117.93 3a73 h MET 87 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 3a73 h MET 87 Cb 0.32 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 3a73 h MET 87 CO 0.00 0.15 -0.27 0.00 0.23 0.00 0.00 176.91 177.02 3a73 h ALA 88 N 1.85 1.39 0.00 0.39 0.00 -1.64 -2.57 119.26 118.69 3a73 h ALA 88 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a73 h ALA 88 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3a73 h ALA 88 CO 0.02 0.34 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 3a73 h ASP 89 N 0.00 0.00 0.12 0.00 3.45 -1.64 -2.52 116.42 115.83 3a73 h ASP 89 Ca -0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3a73 h ASP 89 Cb 0.53 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3a73 h ASP 89 CO 0.04 0.00 -0.01 0.00 -1.57 0.00 0.00 179.24 177.70 3a73 n ALA 92 N -2.52 0.70 -2.23 0.00 0.00 -1.13 -4.70 120.51 110.63 3a73 n ALA 92 Ca -0.03 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 3a73 n ALA 92 Cb 0.56 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 3a73 n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a73 s LYS 93 N -3.23 3.79 0.00 0.00 1.02 -1.06 -5.06 119.74 115.20 3a73 s LYS 93 Ca -0.01 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.40 3a73 s LYS 93 Cb 0.03 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3a73 s LYS 93 CO 0.11 0.04 0.00 1.04 -0.92 0.00 0.00 175.35 175.62 3a73 n GLN 94 N -1.05 0.00 0.00 1.68 1.13 -1.26 -4.66 117.38 113.22 3a73 n GLN 94 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3a73 n GLN 94 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 3a73 n GLN 94 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3a73 n GLU 95 N 0.00 0.00 -0.28 -1.09 4.07 -1.26 -4.65 120.64 117.43 3a73 n GLU 95 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 3a73 n GLU 95 Cb 0.00 0.00 0.25 0.00 -0.06 0.00 0.00 31.44 31.63 3a73 n GLU 95 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3a73 h PRO 96 N 0.00 0.28 -0.01 5.31 0.11 -1.99 0.23 132.00 135.93 3a73 h PRO 96 Ca 0.00 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 3a73 h PRO 96 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3a73 h PRO 96 CO 0.00 0.18 -0.78 0.93 -0.21 0.00 0.00 178.00 178.12 3a73 h GLU 97 N 0.29 0.08 0.33 1.05 3.07 -1.94 -2.84 114.58 114.62 3a73 h GLU 97 Ca 0.51 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 3a73 h GLU 97 Cb 0.95 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3a73 h GLU 97 CO -0.57 0.82 -0.16 -0.09 -1.40 0.00 0.00 179.01 177.61 3a73 h ARG 98 N 0.05 -0.43 -0.92 2.33 2.43 -0.88 -1.34 114.38 115.62 3a73 h ARG 98 Ca -0.02 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3a73 h ARG 98 Cb 1.37 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.97 3a73 h ARG 98 CO 0.11 -0.23 0.61 -0.97 -1.51 0.00 0.00 179.97 177.98 3a73 h ASN 99 N -0.53 1.05 0.26 -3.80 -1.24 -1.15 -1.01 115.58 109.16 3a73 h ASN 99 Ca -0.05 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 3a73 h ASN 99 Cb 0.40 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 3a73 h ASN 99 CO 0.07 0.75 -0.10 -0.33 -1.29 0.00 0.00 177.43 176.54 3a73 h GLU 100 N 1.24 0.00 0.09 6.67 4.39 -1.26 -2.52 114.58 123.19 3a73 h GLU 100 Ca 0.34 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.78 3a73 h GLU 100 Cb -0.12 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3a73 h GLU 100 CO -0.08 0.10 -1.10 0.00 -1.16 0.00 0.00 179.01 176.77 3a73 h PHE 102 N 0.19 1.15 -0.39 0.00 0.05 -0.90 -2.68 116.94 114.37 3a73 h PHE 102 Ca -0.16 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.61 3a73 h PHE 102 Cb 1.79 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 39.35 3a73 h PHE 102 CO 0.13 0.55 0.05 1.25 -0.18 0.00 0.00 178.31 180.11 3a73 h LEU 103 N 1.09 0.63 -2.24 1.54 5.85 -1.44 -0.92 115.31 119.81 3a73 h LEU 103 Ca 0.44 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3a73 h LEU 103 Cb 0.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3a73 h LEU 103 CO -0.20 0.74 0.19 1.56 -0.34 0.00 0.00 178.44 180.39 3a73 h GLN 104 N 0.49 0.00 -0.46 1.25 1.08 -1.33 -3.07 115.11 113.07 3a73 h GLN 104 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3a73 h GLN 104 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3a73 h GLN 104 CO 0.01 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 178.61 3a73 n HIS 105 N -3.80 1.15 -3.04 2.96 8.25 -0.36 -4.90 115.22 115.48 3a73 n HIS 105 Ca 0.01 -0.67 -0.39 0.00 -0.26 0.00 0.00 57.72 56.41 3a73 n HIS 105 Cb 0.31 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 3a73 n HIS 105 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3a73 s LYS 106 N -2.02 4.45 -0.14 -0.41 1.02 -1.16 -5.01 119.74 116.47 3a73 s LYS 106 Ca 0.43 1.04 0.01 0.00 0.02 0.00 0.00 55.97 57.47 3a73 s LYS 106 Cb 0.29 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3a73 s LYS 106 CO 0.17 0.54 -0.17 0.16 -0.92 0.00 0.00 175.35 175.14 3a73 s ASP 107 N -1.25 3.62 0.54 2.83 1.47 -1.26 -5.03 116.67 117.58 3a73 s ASP 107 Ca 0.36 -0.45 0.25 0.00 1.18 0.00 0.00 52.55 53.89 3a73 s ASP 107 Cb -0.21 -1.54 1.52 0.00 -0.34 0.00 0.00 42.92 42.35 3a73 s ASP 107 CO 0.24 0.12 2.15 -0.78 0.68 0.00 0.00 175.17 177.58 3a73 h ASP 108 N 7.03 0.00 -3.46 2.11 3.58 -1.98 -3.33 116.42 120.37 3a73 h ASP 108 Ca -0.28 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.56 3a73 h ASP 108 Cb 1.21 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.86 3a73 h ASP 108 CO 0.55 0.06 -0.75 0.21 -2.88 0.00 0.00 179.24 176.43 3a73 s ASN 109 N -6.40 4.19 -0.01 2.28 2.47 -1.26 -4.89 114.94 111.32 3a73 s ASN 109 Ca -0.04 -1.66 0.06 0.00 0.42 0.00 0.00 52.86 51.63 3a73 s ASN 109 Cb 0.15 -1.19 0.18 0.00 -1.45 0.00 0.00 41.25 38.94 3a73 s ASN 109 CO 0.60 -0.35 1.12 -0.81 -3.72 0.00 0.00 177.10 173.93 3a73 n PRO 110 N 4.61 1.51 -4.12 0.43 -0.04 -1.25 -4.95 135.00 131.19 3a73 n PRO 110 Ca -0.03 -0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 62.32 3a73 n PRO 110 Cb 0.43 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 3a73 n PRO 110 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a73 n ASN 111 N 0.09 -2.33 -4.93 3.54 3.02 -1.26 -4.96 115.26 108.42 3a73 n ASN 111 Ca 0.07 -1.25 -0.26 0.00 -0.03 0.00 0.00 54.58 53.11 3a73 n ASN 111 Cb 0.20 -1.88 -0.02 0.00 -0.61 0.00 0.00 39.78 37.46 3a73 n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a73 s LEU 112 N -7.33 4.14 0.51 3.41 1.43 -1.26 -5.09 118.68 114.49 3a73 s LEU 112 Ca 0.30 0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 53.62 3a73 s LEU 112 Cb -0.16 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3a73 s LEU 112 CO 0.97 -0.15 1.17 -2.16 0.23 0.00 0.00 176.35 176.40 3a73 s PRO 113 N -3.76 3.46 0.61 1.29 0.04 -1.26 -4.95 135.00 130.43 3a73 s PRO 113 Ca 0.39 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.99 3a73 s PRO 113 Cb -0.10 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3a73 s PRO 113 CO 0.31 -0.79 0.99 0.54 0.04 0.00 0.00 177.00 178.10 3a73 n ARG 114 N -0.99 0.91 -2.65 4.56 3.00 -1.26 -4.93 116.66 115.30 3a73 n ARG 114 Ca 0.10 0.35 -0.43 0.00 -0.01 0.00 0.00 57.85 57.86 3a73 n ARG 114 Cb 0.49 -2.20 -0.02 0.00 0.00 0.00 0.00 32.46 30.73 3a73 n ARG 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3a73 s LEU 115 N -2.27 3.91 -0.23 0.55 1.43 -1.26 -5.01 118.68 115.80 3a73 s LEU 115 Ca 0.77 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 3a73 s LEU 115 Cb -0.41 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 3a73 s LEU 115 CO 0.46 -0.91 0.30 0.68 0.23 0.00 0.00 176.35 177.12 3a73 s VAL 116 N 3.70 5.26 -0.14 -1.59 -7.23 -1.26 -5.03 120.40 114.10 3a73 s VAL 116 Ca 0.45 0.48 -0.33 0.00 -1.81 0.00 0.00 61.98 60.77 3a73 s VAL 116 Cb -0.12 -3.64 -0.10 0.00 0.56 0.00 0.00 36.38 33.09 3a73 s VAL 116 CO 0.17 0.27 2.01 -1.14 -0.31 0.00 0.00 175.10 176.10 3a73 n ARG 117 N 4.58 2.04 -1.04 4.82 0.63 -1.26 -4.99 116.66 121.44 3a73 n ARG 117 Ca -0.11 0.70 -0.21 0.00 -0.92 0.00 0.00 57.85 57.31 3a73 n ARG 117 Cb 0.51 -2.78 0.16 0.00 0.45 0.00 0.00 32.46 30.80 3a73 n ARG 117 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3a73 n PRO 118 N 7.45 -1.74 -2.25 -0.14 -0.02 -1.26 -4.99 135.00 132.04 3a73 n PRO 118 Ca 0.27 -1.35 -0.35 0.00 -2.02 0.00 0.00 63.50 60.04 3a73 n PRO 118 Cb 0.33 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3a73 n PRO 118 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a73 s GLU 119 N -4.92 3.39 0.22 -0.52 0.41 -1.26 -4.87 118.70 111.15 3a73 s GLU 119 Ca 0.52 1.63 -0.08 0.00 -0.41 0.00 0.00 54.97 56.63 3a73 s GLU 119 Cb -0.03 -2.04 0.33 0.00 -1.78 0.00 0.00 34.13 30.61 3a73 s GLU 119 CO 0.38 -0.82 1.72 0.28 -0.49 0.00 0.00 175.26 176.32 3a73 h VAL 120 N 1.26 0.66 0.17 2.63 2.07 -1.98 -1.43 116.25 119.63 3a73 h VAL 120 Ca -0.50 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3a73 h VAL 120 Cb 1.26 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3a73 h VAL 120 CO 0.57 0.06 -0.08 0.44 0.02 0.00 0.00 177.57 178.58 3a73 h ASP 121 N 0.32 -0.19 -0.68 0.57 5.19 -1.97 0.96 116.42 120.62 3a73 h ASP 121 Ca 0.34 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 56.87 3a73 h ASP 121 Cb 0.50 0.05 -0.12 0.00 0.18 0.00 0.00 39.33 39.93 3a73 h ASP 121 CO -0.39 -0.14 -0.34 0.58 -3.12 0.00 0.00 179.24 175.83 3a73 h VAL 122 N -0.23 0.14 0.39 -1.35 2.07 -1.91 0.87 116.25 116.24 3a73 h VAL 122 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3a73 h VAL 122 Cb 0.18 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3a73 h VAL 122 CO 0.04 0.00 -0.19 0.24 0.02 0.00 0.00 177.57 177.68 3a73 h MET 123 N -0.12 -0.50 -0.82 1.57 2.86 -0.72 0.07 114.93 117.27 3a73 h MET 123 Ca 0.26 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.03 3a73 h MET 123 Cb 0.56 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.26 3a73 h MET 123 CO -0.74 -0.19 0.46 0.00 1.06 0.00 0.00 176.91 177.50 3a73 h THR 125 N 0.77 1.08 0.19 0.00 2.02 0.87 -2.66 112.91 115.17 3a73 h THR 125 Ca 0.40 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3a73 h THR 125 Cb 0.38 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3a73 h THR 125 CO -0.25 0.07 -0.20 0.00 0.37 0.00 0.00 175.52 175.51 3a73 h ALA 126 N 1.08 -0.41 -0.98 6.16 0.00 -0.16 -0.40 119.26 124.55 3a73 h ALA 126 Ca 0.09 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.26 3a73 h ALA 126 Cb -0.02 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 17.89 3a73 h ALA 126 CO -0.02 -0.76 0.23 0.35 0.00 0.00 0.00 179.25 179.06 3a73 h PHE 127 N -0.44 0.31 0.19 0.00 3.57 -0.82 -0.74 116.94 119.01 3a73 h PHE 127 Ca 0.00 0.06 -0.29 0.00 3.53 0.00 0.00 57.97 61.27 3a73 h PHE 127 Cb 0.41 0.03 0.03 0.00 2.79 0.00 0.00 35.95 39.21 3a73 h PHE 127 CO -0.16 -0.41 -1.25 1.25 -2.23 0.00 0.00 178.31 175.51 3a73 h HIS 128 N 0.04 0.90 -0.06 0.41 2.76 -1.09 -2.42 115.15 115.69 3a73 h HIS 128 Ca 0.68 -0.62 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3a73 h HIS 128 Cb 1.55 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 30.42 3a73 h HIS 128 CO -0.30 1.48 -0.12 -0.44 -1.30 0.00 0.00 177.93 177.24 3a73 h ASP 129 N 0.07 -0.37 -0.76 3.26 5.19 -0.39 -3.40 116.42 120.02 3a73 h ASP 129 Ca -0.21 0.06 -0.35 0.00 -0.62 0.00 0.00 57.03 55.92 3a73 h ASP 129 Cb 1.96 0.17 -0.23 0.00 0.18 0.00 0.00 39.33 41.41 3a73 h ASP 129 CO 0.24 -0.17 -0.72 -3.20 -3.12 0.00 0.00 179.24 172.26 3a73 n ASN 130 N -5.26 -1.75 -0.29 6.45 4.05 -0.35 -5.04 115.26 113.06 3a73 n ASN 130 Ca -0.04 -3.07 -0.05 0.00 0.45 0.00 0.00 54.58 51.86 3a73 n ASN 130 Cb 0.18 0.90 -0.00 0.00 1.23 0.00 0.00 39.78 42.09 3a73 n ASN 130 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 3a73 h GLU 131 N 4.00 -0.10 -0.66 1.20 4.81 -1.57 -0.15 114.58 122.12 3a73 h GLU 131 Ca -0.07 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3a73 h GLU 131 Cb 0.97 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3a73 h GLU 131 CO 0.38 -0.07 0.37 0.93 -0.73 0.00 0.00 179.01 179.89 3a73 h GLU 132 N -0.11 0.92 -0.23 1.92 4.39 -1.94 0.44 114.58 119.98 3a73 h GLU 132 Ca 0.25 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 3a73 h GLU 132 Cb 0.56 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3a73 h GLU 132 CO -0.83 0.68 -0.09 1.15 -1.16 0.00 0.00 179.01 178.77 3a73 h THR 133 N 0.91 1.19 -0.09 1.13 2.02 -1.50 0.97 112.91 117.55 3a73 h THR 133 Ca 0.23 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 3a73 h THR 133 Cb 0.02 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3a73 h THR 133 CO -0.04 0.27 -0.13 0.15 0.37 0.00 0.00 175.52 176.14 3a73 h PHE 134 N 0.35 0.30 0.11 3.16 3.57 -0.10 -2.89 116.94 121.44 3a73 h PHE 134 Ca 0.07 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3a73 h PHE 134 Cb 0.38 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3a73 h PHE 134 CO 0.01 0.72 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.62 3a73 h LEU 135 N -0.20 -0.30 -0.36 0.59 4.07 0.01 -3.01 115.31 116.11 3a73 h LEU 135 Ca 0.01 0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 3a73 h LEU 135 Cb 0.68 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 3a73 h LEU 135 CO 0.03 -0.17 -0.69 0.11 -1.08 0.00 0.00 178.44 176.63 3a73 h LYS 136 N -0.25 0.56 -0.67 1.13 1.79 -0.88 0.85 116.57 119.10 3a73 h LYS 136 Ca 0.01 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.08 3a73 h LYS 136 Cb 0.24 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 3a73 h LYS 136 CO -0.04 1.05 0.41 -0.22 -1.08 0.00 0.00 179.45 179.57 3a73 h LYS 137 N 0.40 0.78 -0.31 3.15 3.64 -1.61 0.67 116.57 123.29 3a73 h LYS 137 Ca -0.03 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 3a73 h LYS 137 Cb 1.28 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3a73 h LYS 137 CO 0.13 0.52 -0.33 1.88 -2.27 0.00 0.00 179.45 179.37 3a73 h TYR 138 N 0.80 0.78 -0.52 1.91 -1.99 -1.25 0.53 116.97 117.22 3a73 h TYR 138 Ca 0.27 -0.21 0.02 0.00 2.00 0.00 0.00 58.73 60.82 3a73 h TYR 138 Cb 0.03 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 3a73 h TYR 138 CO -0.05 0.91 0.31 1.25 -0.00 0.00 0.00 178.16 180.59 3a73 h LEU 139 N 0.56 0.51 -0.47 3.88 5.85 -0.18 0.23 115.31 125.70 3a73 h LEU 139 Ca 0.06 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3a73 h LEU 139 Cb 0.84 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3a73 h LEU 139 CO 0.07 0.36 0.31 0.22 -0.34 0.00 0.00 178.44 179.06 3a73 h TYR 140 N 0.63 0.58 -0.68 1.25 5.03 0.67 0.98 116.97 125.42 3a73 h TYR 140 Ca 0.21 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.46 3a73 h TYR 140 Cb 0.02 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 3a73 h TYR 140 CO -0.06 0.36 0.12 0.93 -1.32 0.00 0.00 178.16 178.19 3a73 h GLU 141 N 0.62 1.12 -0.21 1.82 4.39 0.56 -1.04 114.58 121.83 3a73 h GLU 141 Ca 0.17 -0.29 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 3a73 h GLU 141 Cb -0.06 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3a73 h GLU 141 CO -0.04 1.02 -0.44 0.82 -1.16 0.00 0.00 179.01 179.21 3a73 h ILE 142 N 1.05 1.32 -0.63 3.13 1.08 -0.71 -3.10 117.51 119.63 3a73 h ILE 142 Ca 0.21 -1.66 -0.09 0.00 -0.39 0.00 0.00 64.86 62.93 3a73 h ILE 142 Cb 0.43 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 3a73 h ILE 142 CO 0.01 0.52 0.05 0.00 -0.69 0.00 0.00 178.15 178.04 3a73 h ALA 143 N 0.61 0.88 0.00 1.87 0.00 -0.51 -1.93 119.26 120.18 3a73 h ALA 143 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3a73 h ALA 143 Cb 1.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a73 h ALA 143 CO 0.10 0.67 0.00 0.07 0.00 0.00 0.00 179.25 180.09 3a73 h ARG 144 N 1.00 0.00 0.00 0.00 0.11 -1.25 -1.98 114.38 112.26 3a73 h ARG 144 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 3a73 h ARG 144 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3a73 h ARG 144 CO 0.02 0.00 -0.31 0.00 0.10 0.00 0.00 179.97 179.78 3a73 h ARG 145 N 0.00 0.00 -1.69 0.08 3.08 -1.31 -3.40 114.38 111.15 3a73 h ARG 145 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3a73 h ARG 145 Cb 0.67 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.31 3a73 h ARG 145 CO 0.00 0.00 -1.13 0.72 -1.07 0.00 0.00 179.97 178.49 3a73 n HIS 146 N -2.42 0.95 0.19 3.04 8.25 -0.77 -4.88 115.22 119.57 3a73 n HIS 146 Ca 0.04 -3.48 0.17 0.00 -0.26 0.00 0.00 57.72 54.18 3a73 n HIS 146 Cb 0.47 -0.40 0.67 0.00 1.12 0.00 0.00 29.99 31.85 3a73 n HIS 146 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3a73 h PRO 147 N 2.98 0.00 -0.26 -0.41 0.13 -1.70 0.14 132.00 132.88 3a73 h PRO 147 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3a73 h PRO 147 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3a73 h PRO 147 CO 0.54 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.97 3a73 n TYR 148 N -3.19 0.32 -1.73 1.56 4.01 -1.26 -4.88 117.16 111.99 3a73 n TYR 148 Ca 0.04 -0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 3a73 n TYR 148 Cb 0.64 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.64 3a73 n TYR 148 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3a73 s PHE 149 N -1.41 1.60 -0.29 -0.72 2.19 0.50 -4.80 117.98 115.05 3a73 s PHE 149 Ca 0.30 -0.26 -0.37 0.00 0.33 0.00 0.00 56.93 56.94 3a73 s PHE 149 Cb 0.19 -4.18 -0.13 0.00 -1.31 0.00 0.00 43.02 37.59 3a73 s PHE 149 CO 0.26 -5.14 2.00 0.98 1.83 0.00 0.00 175.22 175.15 3a73 n TYR 150 N 7.01 1.85 -0.18 10.12 -0.00 -1.26 -4.83 117.16 129.87 3a73 n TYR 150 Ca 0.19 0.33 -0.02 0.00 -0.00 0.00 0.00 57.90 58.40 3a73 n TYR 150 Cb 0.41 -2.52 0.04 0.00 -0.00 0.00 0.00 39.34 37.27 3a73 n TYR 150 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3a73 h ALA 151 N 10.10 0.32 0.00 2.98 0.00 -1.95 -0.56 119.26 130.14 3a73 h ALA 151 Ca -0.36 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3a73 h ALA 151 Cb 1.32 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3a73 h ALA 151 CO 0.99 -0.46 -0.04 -1.35 0.00 0.00 0.00 179.25 178.39 3a73 h PRO 152 N -0.03 0.00 0.07 0.00 0.11 -1.97 -0.68 132.00 129.51 3a73 h PRO 152 Ca 0.26 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.13 3a73 h PRO 152 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3a73 h PRO 152 CO -0.58 0.04 -1.09 1.49 -0.21 0.00 0.00 178.00 177.64 3a73 h GLU 153 N 0.00 0.24 -0.48 1.05 4.81 -1.47 -1.35 114.58 117.39 3a73 h GLU 153 Ca -0.00 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3a73 h GLU 153 Cb 0.11 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3a73 h GLU 153 CO 0.00 1.12 0.31 -0.07 -0.73 0.00 0.00 179.01 179.65 3a73 h LEU 154 N 0.09 0.53 -1.64 1.64 3.38 -1.06 -1.53 115.31 116.72 3a73 h LEU 154 Ca -0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3a73 h LEU 154 Cb 1.79 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 3a73 h LEU 154 CO 0.17 0.38 0.25 0.25 0.09 0.00 0.00 178.44 179.59 3a73 h LEU 155 N 0.63 0.42 -0.09 1.67 5.85 -0.95 -1.47 115.31 121.36 3a73 h LEU 155 Ca 0.18 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3a73 h LEU 155 Cb -0.06 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3a73 h LEU 155 CO -0.05 0.30 0.03 -0.26 -0.34 0.00 0.00 178.44 178.12 3a73 h PHE 156 N 0.50 0.15 -0.60 1.25 0.04 -0.28 -2.48 116.94 115.52 3a73 h PHE 156 Ca 0.14 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3a73 h PHE 156 Cb -0.03 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3a73 h PHE 156 CO -0.00 0.31 0.34 0.74 -0.60 0.00 0.00 178.31 179.11 3a73 h PHE 157 N -0.05 0.81 -0.73 -0.55 0.04 -1.04 -2.38 116.94 113.04 3a73 h PHE 157 Ca 0.03 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.94 3a73 h PHE 157 Cb 0.24 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 3a73 h PHE 157 CO 0.00 0.57 0.49 0.00 -0.60 0.00 0.00 178.31 178.77 3a73 h ALA 158 N 1.17 2.17 -0.07 2.45 0.00 -1.10 0.46 119.26 124.33 3a73 h ALA 158 Ca 0.21 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3a73 h ALA 158 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a73 h ALA 158 CO -0.04 -0.36 -0.50 0.87 0.00 0.00 0.00 179.25 179.22 3a73 h LYS 159 N 0.36 0.18 0.03 0.00 1.57 -0.96 -2.45 116.57 115.30 3a73 h LYS 159 Ca 0.36 -0.10 -0.23 0.00 -1.87 0.00 0.00 60.65 58.81 3a73 h LYS 159 Cb 0.87 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 3a73 h LYS 159 CO -0.10 0.64 -0.99 0.00 -0.57 0.00 0.00 179.45 178.43 3a73 h ARG 160 N 0.14 0.32 -0.76 3.15 3.08 -0.06 -2.01 114.38 118.24 3a73 h ARG 160 Ca 0.00 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.70 3a73 h ARG 160 Cb 0.93 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 3a73 h ARG 160 CO 0.07 1.09 0.49 1.88 -1.07 0.00 0.00 179.97 182.43 3a73 h TYR 161 N 0.16 0.92 -0.68 3.04 -1.99 -1.19 0.25 116.97 117.48 3a73 h TYR 161 Ca -0.08 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.60 3a73 h TYR 161 Cb 1.64 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 40.04 3a73 h TYR 161 CO 0.05 0.55 0.15 -0.22 -0.00 0.00 0.00 178.16 178.68 3a73 h LYS 162 N 0.97 1.11 -0.91 4.88 3.64 -1.25 0.52 116.57 125.52 3a73 h LYS 162 Ca 0.30 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3a73 h LYS 162 Cb -0.03 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 3a73 h LYS 162 CO -0.09 0.99 0.56 0.00 -2.27 0.00 0.00 179.45 178.64 3a73 h ALA 163 N 1.07 1.16 0.00 5.00 0.00 -0.79 -2.08 119.26 123.61 3a73 h ALA 163 Ca 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3a73 h ALA 163 Cb 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a73 h ALA 163 CO 0.01 0.61 -0.35 0.00 0.00 0.00 0.00 179.25 179.51 3a73 h ALA 164 N 1.30 1.24 -0.00 0.00 0.00 0.10 -2.42 119.26 119.48 3a73 h ALA 164 Ca 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a73 h ALA 164 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3a73 h ALA 164 CO -0.06 0.44 -0.04 0.74 0.00 0.00 0.00 179.25 180.32 3a73 h PHE 165 N 0.00 0.05 -0.66 0.00 0.04 -0.58 -0.83 116.94 114.96 3a73 h PHE 165 Ca -0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3a73 h PHE 165 Cb 0.70 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 3a73 h PHE 165 CO 0.00 0.79 0.33 1.15 -0.60 0.00 0.00 178.31 179.98 3a73 h THR 166 N -0.71 1.21 0.40 -1.55 2.02 -1.40 0.35 112.91 113.23 3a73 h THR 166 Ca -0.00 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3a73 h THR 166 Cb 0.80 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3a73 h THR 166 CO 0.01 0.24 -0.19 -0.08 0.37 0.00 0.00 175.52 175.87 3a73 h GLU 167 N 0.93 -0.52 0.00 6.66 4.81 -1.48 -3.38 114.58 121.59 3a73 h GLU 167 Ca 0.23 0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.33 3a73 h GLU 167 Cb 0.07 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3a73 h GLU 167 CO -0.03 -0.22 -0.97 0.00 -0.73 0.00 0.00 179.01 177.06 3a73 n GLN 170 N -1.12 0.74 -0.59 0.00 10.64 -1.24 -4.96 117.38 120.85 3a73 n GLN 170 Ca 0.02 -0.70 -0.29 0.00 -1.83 0.00 0.00 57.00 54.19 3a73 n GLN 170 Cb 0.02 -0.72 0.26 0.00 -0.86 0.00 0.00 30.24 28.94 3a73 n GLN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3a73 s ALA 171 N -0.29 -0.39 0.18 2.61 0.00 -0.57 -4.92 121.76 118.38 3a73 s ALA 171 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 3a73 s ALA 171 Cb 0.00 -3.06 0.09 0.00 0.00 0.00 0.00 23.12 20.15 3a73 s ALA 171 CO 0.00 -4.08 1.72 0.00 0.00 0.00 0.00 175.76 173.41 3a73 h ALA 172 N -2.91 0.83 -3.01 0.00 0.00 -1.97 -3.35 119.26 108.84 3a73 h ALA 172 Ca -0.52 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 53.58 3a73 h ALA 172 Cb 1.33 -0.25 -0.41 0.00 0.00 0.00 0.00 17.79 18.47 3a73 h ALA 172 CO 0.40 0.48 -0.64 0.34 0.00 0.00 0.00 179.25 179.83 3a73 s ASP 173 N -6.21 4.25 0.02 0.00 2.15 -1.26 -4.99 116.67 110.62 3a73 s ASP 173 Ca -0.13 -3.60 -0.04 0.00 0.43 0.00 0.00 52.55 49.21 3a73 s ASP 173 Cb 0.13 -1.44 -0.01 0.00 -0.30 0.00 0.00 42.92 41.30 3a73 s ASP 173 CO 0.81 -0.12 0.60 0.29 -0.17 0.00 0.00 175.17 176.58 3a73 n LYS 174 N 2.29 -0.06 0.01 4.34 5.02 -1.26 0.28 118.16 128.78 3a73 n LYS 174 Ca 0.19 0.59 0.10 0.00 -2.02 0.00 0.00 58.31 57.17 3a73 n LYS 174 Cb 0.36 -0.88 0.53 0.00 -0.02 0.00 0.00 35.03 35.02 3a73 n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a73 h ALA 175 N -0.32 1.99 -0.67 7.82 0.00 -1.94 -1.08 119.26 125.05 3a73 h ALA 175 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3a73 h ALA 175 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3a73 h ALA 175 CO -0.13 -0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.47 3a73 h ALA 176 N 1.77 0.87 0.03 0.00 0.00 0.35 -3.12 119.26 119.17 3a73 h ALA 176 Ca 0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3a73 h ALA 176 Cb 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3a73 h ALA 176 CO -0.04 0.16 -0.31 0.00 0.00 0.00 0.00 179.25 179.06 3a73 h LEU 178 N -0.63 0.68 0.41 0.00 6.46 -1.30 -3.34 115.31 117.58 3a73 h LEU 178 Ca -0.05 -0.83 -0.01 0.00 -0.12 0.00 0.00 57.88 56.87 3a73 h LEU 178 Cb 1.16 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 3a73 h LEU 178 CO 0.06 1.43 -0.33 -0.07 -0.62 0.00 0.00 178.44 178.91 3a73 h LEU 179 N 0.01 -0.86 -1.41 2.25 4.07 -1.79 0.10 115.31 117.68 3a73 h LEU 179 Ca -0.14 0.07 0.20 0.00 0.08 0.00 0.00 57.88 58.08 3a73 h LEU 179 Cb 1.65 0.28 -0.07 0.00 1.08 0.00 0.00 40.66 43.59 3a73 h LEU 179 CO 0.18 -0.48 0.60 -0.65 -1.08 0.00 0.00 178.44 177.01 3a73 h PRO 180 N -0.74 0.48 -0.32 1.13 0.11 -1.84 0.22 132.00 131.04 3a73 h PRO 180 Ca -0.04 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 3a73 h PRO 180 Cb 0.64 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3a73 h PRO 180 CO -0.01 0.31 -0.32 0.87 -0.21 0.00 0.00 178.00 178.64 3a73 h LYS 181 N 0.49 0.70 -0.02 1.05 1.57 -1.18 0.86 116.57 120.03 3a73 h LYS 181 Ca 0.49 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3a73 h LYS 181 Cb 1.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3a73 h LYS 181 CO -0.21 0.92 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.23 3a73 h LEU 182 N 0.59 0.29 -0.13 2.94 3.38 0.14 0.73 115.31 123.25 3a73 h LEU 182 Ca 0.07 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 57.36 3a73 h LEU 182 Cb 0.83 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 3a73 h LEU 182 CO 0.07 0.97 -0.46 0.44 0.09 0.00 0.00 178.44 179.55 3a73 h ASP 183 N -0.35 -1.45 -0.87 -0.43 3.45 -0.64 0.34 116.42 116.47 3a73 h ASP 183 Ca -0.03 0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.68 3a73 h ASP 183 Cb 0.99 0.58 -0.06 0.00 -0.56 0.00 0.00 39.33 40.28 3a73 h ASP 183 CO 0.06 -0.45 0.54 -0.33 -1.57 0.00 0.00 179.24 177.49 3a73 h GLU 184 N -0.53 0.95 -0.78 3.56 5.08 -0.79 -1.20 114.58 120.88 3a73 h GLU 184 Ca 0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3a73 h GLU 184 Cb 0.65 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3a73 h GLU 184 CO -0.41 0.63 0.30 -0.07 -1.00 0.00 0.00 179.01 178.46 3a73 h LEU 185 N 0.98 1.08 0.04 1.33 4.07 -0.44 -1.84 115.31 120.53 3a73 h LEU 185 Ca 0.38 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 3a73 h LEU 185 Cb 0.17 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.63 3a73 h LEU 185 CO -0.17 0.96 -0.02 -0.09 -1.08 0.00 0.00 178.44 178.04 3a73 h ARG 186 N 1.13 -0.06 -0.04 1.13 2.43 0.26 0.65 114.38 119.88 3a73 h ARG 186 Ca 0.26 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3a73 h ARG 186 Cb 0.23 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3a73 h ARG 186 CO -0.02 0.03 -0.48 -0.44 -1.51 0.00 0.00 179.97 177.55 3a73 h ASP 187 N -0.13 -1.51 -0.37 -3.80 5.19 -0.97 0.37 116.42 115.20 3a73 h ASP 187 Ca -0.01 0.17 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 3a73 h ASP 187 Cb 0.11 0.58 -0.08 0.00 0.18 0.00 0.00 39.33 40.12 3a73 h ASP 187 CO 0.01 -0.46 -0.56 -0.33 -3.12 0.00 0.00 179.24 174.78 3a73 h GLU 188 N -0.58 -0.41 -0.40 3.56 5.08 -1.29 0.81 114.58 121.35 3a73 h GLU 188 Ca 0.02 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3a73 h GLU 188 Cb 0.64 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 3a73 h GLU 188 CO -0.35 -0.27 -0.53 0.78 -1.00 0.00 0.00 179.01 177.65 3a73 h GLY 189 N -0.43 -0.89 -0.32 -3.84 0.00 -0.23 0.98 103.07 98.35 3a73 h GLY 189 Ca 0.07 0.67 0.03 0.00 0.00 0.00 0.00 47.33 48.10 3a73 h GLY 189 CO -0.58 -0.14 -0.19 1.17 0.00 0.00 0.00 176.54 176.81 3a73 n LYS 190 N -5.39 -0.14 -0.22 4.80 4.81 0.12 -0.67 118.16 121.48 3a73 n LYS 190 Ca -0.03 0.78 0.01 0.00 -0.87 0.00 0.00 58.31 58.20 3a73 n LYS 190 Cb 0.35 -1.15 0.12 0.00 0.02 0.00 0.00 35.03 34.37 3a73 n LYS 190 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3a73 h ALA 191 N -0.14 0.86 -0.07 3.14 0.00 0.75 -1.39 119.26 122.42 3a73 h ALA 191 Ca 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3a73 h ALA 191 Cb 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a73 h ALA 191 CO -0.30 -0.15 -0.07 1.03 0.00 0.00 0.00 179.25 179.77 3a73 h SER 192 N 0.47 0.17 -0.79 0.00 0.87 0.14 0.20 113.55 114.61 3a73 h SER 192 Ca 0.33 -0.49 0.19 0.00 -1.23 0.00 0.00 61.79 60.59 3a73 h SER 192 Cb 0.39 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 3a73 h SER 192 CO -0.30 0.62 0.54 -1.28 -0.53 0.00 0.00 176.83 175.89 3a73 h SER 193 N -0.27 0.26 0.37 6.23 0.87 -0.69 -1.87 113.55 118.45 3a73 h SER 193 Ca 0.01 0.02 -0.32 0.00 -1.23 0.00 0.00 61.79 60.28 3a73 h SER 193 Cb 0.58 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 3a73 h SER 193 CO 0.02 0.12 -1.83 0.00 -0.53 0.00 0.00 176.83 174.61 3a73 n ALA 194 N -2.57 1.35 -0.22 6.23 0.00 -0.54 -3.22 120.51 121.53 3a73 n ALA 194 Ca 0.16 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.79 3a73 n ALA 194 Cb 0.68 -0.76 0.06 0.00 0.00 0.00 0.00 19.45 19.42 3a73 n ALA 194 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a73 h LYS 195 N 0.02 0.75 -0.68 0.00 3.64 -0.13 -1.49 116.57 118.68 3a73 h LYS 195 Ca -0.34 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 3a73 h LYS 195 Cb 2.03 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.65 3a73 h LYS 195 CO 0.08 0.50 0.20 1.96 -2.27 0.00 0.00 179.45 179.91 3a73 h GLN 196 N 0.77 1.06 -0.21 1.90 4.20 -1.44 0.93 115.11 122.33 3a73 h GLN 196 Ca 0.24 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3a73 h GLN 196 Cb -0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3a73 h GLN 196 CO -0.09 0.93 -0.07 0.00 -0.67 0.00 0.00 178.83 178.93 3a73 h ARG 197 N 1.00 0.41 -0.64 1.46 2.47 -1.53 -2.95 114.38 114.60 3a73 h ARG 197 Ca 0.22 -0.17 0.13 0.00 -1.26 0.00 0.00 59.98 58.89 3a73 h ARG 197 Cb 0.32 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.53 3a73 h ARG 197 CO -0.00 0.68 0.15 1.25 0.56 0.00 0.00 179.97 182.60 3a73 h LEU 198 N 0.13 0.02 -0.14 3.04 5.85 -0.86 -2.30 115.31 121.05 3a73 h LEU 198 Ca 0.05 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3a73 h LEU 198 Cb 0.54 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3a73 h LEU 198 CO 0.02 0.00 -0.35 0.50 -0.34 0.00 0.00 178.44 178.28 3a73 h LYS 199 N 0.27 -0.41 -0.12 1.25 3.64 -0.80 -2.47 116.57 117.93 3a73 h LYS 199 Ca 0.35 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 3a73 h LYS 199 Cb 0.53 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3a73 h LYS 199 CO -0.43 -0.27 -0.13 0.00 -2.27 0.00 0.00 179.45 176.35 3a73 h ALA 201 N 0.59 1.49 0.04 0.00 0.00 -1.45 -2.65 119.26 117.28 3a73 h ALA 201 Ca 0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 3a73 h ALA 201 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3a73 h ALA 201 CO 0.03 0.35 -1.03 1.03 0.00 0.00 0.00 179.25 179.64 3a73 h SER 202 N 0.00 0.35 -0.93 0.00 0.87 -1.37 -0.80 113.55 111.68 3a73 h SER 202 Ca -0.00 -0.32 0.17 0.00 -1.23 0.00 0.00 61.79 60.41 3a73 h SER 202 Cb 0.51 -0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.26 3a73 h SER 202 CO 0.04 1.17 0.51 0.25 -0.53 0.00 0.00 176.83 178.27 3a73 h LEU 203 N 0.11 0.63 0.22 2.23 5.85 -1.17 -0.42 115.31 122.76 3a73 h LEU 203 Ca -0.08 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3a73 h LEU 203 Cb 1.70 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3a73 h LEU 203 CO 0.16 0.23 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.78 3a73 h GLN 204 N 0.67 -0.29 -0.32 1.25 5.75 -0.89 0.21 115.11 121.50 3a73 h GLN 204 Ca 0.53 0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.88 3a73 h GLN 204 Cb 0.80 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.41 3a73 h GLN 204 CO -0.39 0.09 -0.47 -0.22 -2.65 0.00 0.00 178.83 175.20 3a73 h LYS 205 N -0.80 0.85 -0.01 1.69 3.64 -1.17 -3.34 116.57 117.44 3a73 h LYS 205 Ca -0.03 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3a73 h LYS 205 Cb 0.51 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3a73 h LYS 205 CO 0.05 1.13 -0.70 1.19 -2.27 0.00 0.00 179.45 178.85 3a73 n PHE 206 N -4.02 0.00 -0.41 1.91 3.01 -0.17 -5.08 117.46 112.70 3a73 n PHE 206 Ca -0.03 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.48 3a73 n PHE 206 Cb 0.58 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.03 3a73 n PHE 206 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a73 n GLY 207 N 1.44 -2.36 0.20 1.37 0.00 0.74 -4.34 105.19 102.25 3a73 n GLY 207 Ca 0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 3a73 n GLY 207 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a73 h GLU 208 N -0.39 0.22 0.35 1.61 4.81 -1.94 -2.76 114.58 116.48 3a73 h GLU 208 Ca -0.03 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3a73 h GLU 208 Cb 0.38 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3a73 h GLU 208 CO 0.02 0.55 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.59 3a73 h ARG 209 N 0.19 -0.46 -0.06 1.92 2.43 -1.96 -0.09 114.38 116.34 3a73 h ARG 209 Ca 0.02 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3a73 h ARG 209 Cb 0.73 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3a73 h ARG 209 CO 0.05 -0.30 -0.42 0.00 -1.51 0.00 0.00 179.97 177.80 3a73 h ALA 210 N 0.17 1.18 -0.63 2.80 0.00 -1.72 -0.40 119.26 120.67 3a73 h ALA 210 Ca -0.05 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3a73 h ALA 210 Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3a73 h ALA 210 CO 0.08 0.57 0.33 0.35 0.00 0.00 0.00 179.25 180.58 3a73 h PHE 211 N 0.12 0.61 -0.25 0.00 3.57 -1.27 -1.84 116.94 117.88 3a73 h PHE 211 Ca 0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3a73 h PHE 211 Cb 0.80 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3a73 h PHE 211 CO 0.01 0.28 -0.23 0.87 -2.23 0.00 0.00 178.31 177.01 3a73 h LYS 212 N 0.61 0.46 0.27 1.11 1.57 0.54 -1.80 116.57 119.34 3a73 h LYS 212 Ca 0.28 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3a73 h LYS 212 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3a73 h LYS 212 CO -0.19 0.67 -0.13 0.00 -0.57 0.00 0.00 179.45 179.23 3a73 h ALA 213 N 1.35 -0.36 -0.72 3.86 0.00 -0.79 0.11 119.26 122.70 3a73 h ALA 213 Ca 0.06 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3a73 h ALA 213 Cb 0.63 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 3a73 h ALA 213 CO 0.04 -0.65 -0.09 2.35 0.00 0.00 0.00 179.25 180.91 3a73 h TRP 214 N -0.47 -0.22 -0.22 0.00 7.01 -1.24 -1.64 115.95 119.16 3a73 h TRP 214 Ca -0.04 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3a73 h TRP 214 Cb 0.36 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 3a73 h TRP 214 CO -0.03 -0.27 0.11 0.00 -2.79 0.00 0.00 178.44 175.46 3a73 h ALA 215 N 1.70 0.28 -0.52 2.65 0.00 -1.00 0.16 119.26 122.53 3a73 h ALA 215 Ca 0.37 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3a73 h ALA 215 Cb 0.60 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3a73 h ALA 215 CO -0.69 -0.17 0.11 0.28 0.00 0.00 0.00 179.25 178.79 3a73 h VAL 216 N 0.24 0.71 -0.07 0.00 2.07 -0.37 0.20 116.25 119.03 3a73 h VAL 216 Ca 0.08 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3a73 h VAL 216 Cb 0.10 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3a73 h VAL 216 CO -0.01 0.05 0.02 0.00 0.02 0.00 0.00 177.57 177.64 3a73 h ALA 217 N 1.40 0.10 -0.56 1.67 0.00 -0.64 0.91 119.26 122.13 3a73 h ALA 217 Ca 0.26 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3a73 h ALA 217 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3a73 h ALA 217 CO -0.33 -0.28 -0.09 -0.09 0.00 0.00 0.00 179.25 178.46 3a73 h ARG 218 N -0.09 1.04 -0.22 0.00 9.65 -0.40 -2.47 114.38 121.88 3a73 h ARG 218 Ca 0.02 -0.38 -0.14 0.00 -1.10 0.00 0.00 59.98 58.38 3a73 h ARG 218 Cb 0.24 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3a73 h ARG 218 CO 0.00 1.07 -0.46 -0.07 2.80 0.00 0.00 179.97 183.31 3a73 h LEU 219 N 0.92 0.62 -1.29 3.80 3.38 -0.43 -2.49 115.31 119.81 3a73 h LEU 219 Ca 0.15 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3a73 h LEU 219 Cb 0.66 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3a73 h LEU 219 CO 0.05 0.99 -0.15 0.28 0.09 0.00 0.00 178.44 179.69 3a73 h SER 220 N 0.46 0.28 -0.48 -0.43 0.02 -0.63 0.40 113.55 113.17 3a73 h SER 220 Ca 0.03 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 3a73 h SER 220 Cb 0.98 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3a73 h SER 220 CO 0.09 0.46 -0.20 1.56 -1.14 0.00 0.00 176.83 177.59 3a73 h GLN 221 N 0.27 0.99 -0.06 3.45 4.20 -1.19 -2.63 115.11 120.14 3a73 h GLN 221 Ca 0.05 -0.42 -0.24 0.00 0.06 0.00 0.00 58.65 58.11 3a73 h GLN 221 Cb 0.44 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 28.20 3a73 h GLN 221 CO 0.03 1.09 -0.89 -0.09 -0.67 0.00 0.00 178.83 178.30 3a73 h ARG 222 N 0.86 0.71 -2.14 1.46 9.65 -0.97 -3.37 114.38 120.58 3a73 h ARG 222 Ca 0.11 -0.68 -0.60 0.00 -1.10 0.00 0.00 59.98 57.71 3a73 h ARG 222 Cb 0.78 0.17 -0.41 0.00 -1.39 0.00 0.00 29.97 29.12 3a73 h ARG 222 CO 0.06 1.27 -0.57 1.19 2.80 0.00 0.00 179.97 184.73 3a73 n PHE 223 N -3.93 3.88 0.30 2.20 0.99 0.14 -1.10 117.46 119.94 3a73 n PHE 223 Ca -0.10 -3.76 0.18 0.00 -0.00 0.00 0.00 57.45 53.77 3a73 n PHE 223 Cb 0.80 -0.45 0.81 0.00 -1.00 0.00 0.00 39.48 39.65 3a73 n PHE 223 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3a73 h PRO 224 N 2.95 0.00 0.00 -1.08 0.13 -1.64 -0.10 132.00 132.27 3a73 h PRO 224 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3a73 h PRO 224 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3a73 h PRO 224 CO 0.85 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.49 3a73 h LYS 225 N 0.00 0.00 -7.02 0.86 1.57 -1.82 -3.44 116.57 106.72 3a73 h LYS 225 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3a73 h LYS 225 Cb 0.29 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.69 3a73 h LYS 225 CO 0.00 0.00 0.53 0.00 -0.57 0.00 0.00 179.45 179.41 3a73 s ALA 226 N -3.22 2.91 0.70 3.86 0.00 -0.05 -4.90 121.76 121.07 3a73 s ALA 226 Ca 0.07 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 3a73 s ALA 226 Cb 0.05 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3a73 s ALA 226 CO 0.67 -0.92 1.14 -1.21 0.00 0.00 0.00 175.76 175.43 3a73 s GLU 227 N -2.78 2.46 0.25 0.00 2.02 -1.26 -4.85 118.70 114.54 3a73 s GLU 227 Ca 0.67 1.49 -0.06 0.00 0.02 0.00 0.00 54.97 57.08 3a73 s GLU 227 Cb -0.33 -1.90 0.46 0.00 0.10 0.00 0.00 34.13 32.47 3a73 s GLU 227 CO 0.39 -1.53 1.62 0.35 0.02 0.00 0.00 175.26 176.11 3a73 h PHE 228 N -0.28 -0.10 -0.49 1.61 3.04 -1.98 -0.60 116.94 118.14 3a73 h PHE 228 Ca -0.46 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.50 3a73 h PHE 228 Cb 1.26 0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.92 3a73 h PHE 228 CO 0.52 -0.28 0.13 0.00 -2.02 0.00 0.00 178.31 176.67 3a73 h ALA 229 N 1.76 1.31 -0.17 2.41 0.00 -1.99 0.12 119.26 122.70 3a73 h ALA 229 Ca 0.43 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3a73 h ALA 229 Cb 0.77 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3a73 h ALA 229 CO -0.72 0.49 -0.37 1.49 0.00 0.00 0.00 179.25 180.14 3a73 h GLU 230 N 0.72 0.56 -0.74 0.00 4.57 -1.58 -2.62 114.58 115.48 3a73 h GLU 230 Ca 0.16 -0.37 0.11 0.00 -1.18 0.00 0.00 59.36 58.08 3a73 h GLU 230 Cb 0.25 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 3a73 h GLU 230 CO -0.00 0.98 0.35 0.28 -1.18 0.00 0.00 179.01 179.44 3a73 h VAL 231 N 0.21 0.79 0.00 0.32 2.07 -0.02 -1.95 116.25 117.68 3a73 h VAL 231 Ca 0.00 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3a73 h VAL 231 Cb 0.97 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3a73 h VAL 231 CO 0.08 0.10 -0.38 -1.28 0.02 0.00 0.00 177.57 176.12 3a73 h SER 232 N 0.57 0.00 -0.05 0.57 0.87 -0.75 0.12 113.55 114.88 3a73 h SER 232 Ca 0.38 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.72 3a73 h SER 232 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3a73 h SER 232 CO -0.31 0.38 -0.80 0.50 -0.53 0.00 0.00 176.83 176.07 3a73 h LYS 233 N 0.00 0.63 -0.41 2.24 3.11 -1.06 -1.51 116.57 119.57 3a73 h LYS 233 Ca -0.00 -0.61 -0.01 0.00 -2.81 0.00 0.00 60.65 57.21 3a73 h LYS 233 Cb 0.81 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 32.18 3a73 h LYS 233 CO 0.05 1.22 0.20 -0.07 -2.81 0.00 0.00 179.45 178.04 3a73 h LEU 234 N 0.27 0.53 -0.88 5.20 3.38 -0.99 -1.69 115.31 121.13 3a73 h LEU 234 Ca -0.09 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 3a73 h LEU 234 Cb 1.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3a73 h LEU 234 CO 0.16 0.50 -0.43 -0.37 0.09 0.00 0.00 178.44 178.39 3a73 h VAL 235 N 0.53 1.32 -0.63 1.22 -1.51 -0.68 0.23 116.25 116.73 3a73 h VAL 235 Ca 0.14 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 64.02 3a73 h VAL 235 Cb 0.11 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 30.95 3a73 h VAL 235 CO -0.02 0.47 0.35 0.74 -1.23 0.00 0.00 177.57 177.89 3a73 h THR 236 N 0.22 1.20 -0.31 7.19 2.02 -1.07 -1.04 112.91 121.12 3a73 h THR 236 Ca 0.02 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.57 3a73 h THR 236 Cb 0.86 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3a73 h THR 236 CO 0.07 0.21 -0.42 0.44 0.37 0.00 0.00 175.52 176.19 3a73 h ASP 237 N 0.85 0.81 -0.86 4.18 3.45 -0.98 -2.90 116.42 120.98 3a73 h ASP 237 Ca 0.22 -0.38 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 3a73 h ASP 237 Cb 0.02 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.52 3a73 h ASP 237 CO -0.04 1.12 0.50 0.25 -1.57 0.00 0.00 179.24 179.50 3a73 h LEU 238 N 0.62 1.06 -0.24 1.55 6.46 -0.39 -0.56 115.31 123.81 3a73 h LEU 238 Ca 0.05 -0.08 -0.21 0.00 -0.12 0.00 0.00 57.88 57.51 3a73 h LEU 238 Cb 0.97 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 3a73 h LEU 238 CO 0.09 0.83 -0.85 0.71 -0.62 0.00 0.00 178.44 178.60 3a73 h THR 239 N 1.20 1.36 -0.65 1.05 1.35 -1.17 -1.73 112.91 114.32 3a73 h THR 239 Ca 0.31 -2.24 -0.06 0.00 -0.55 0.00 0.00 66.41 63.86 3a73 h THR 239 Cb -0.01 2.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 3a73 h THR 239 CO -0.05 0.68 0.16 0.50 -0.25 0.00 0.00 175.52 176.56 3a73 h LYS 240 N 0.31 1.04 -0.76 4.72 3.11 -1.35 0.21 116.57 123.84 3a73 h LYS 240 Ca -0.06 -0.25 -0.03 0.00 -2.81 0.00 0.00 60.65 57.50 3a73 h LYS 240 Cb 1.46 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 32.52 3a73 h LYS 240 CO 0.15 0.93 0.36 -0.39 -2.81 0.00 0.00 179.45 177.69 3a73 h VAL 241 N 0.96 1.24 -0.10 2.00 -1.51 -1.04 -0.74 116.25 117.06 3a73 h VAL 241 Ca 0.21 -0.68 -0.13 0.00 -1.23 0.00 0.00 66.70 64.86 3a73 h VAL 241 Cb 0.35 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.78 3a73 h VAL 241 CO 0.00 0.29 -0.53 -0.74 -1.23 0.00 0.00 177.57 175.36 3a73 h HIS 242 N 1.08 0.34 -0.56 5.19 -0.00 -0.94 0.10 115.15 120.37 3a73 h HIS 242 Ca 0.26 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3a73 h HIS 242 Cb 0.12 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 3a73 h HIS 242 CO 0.01 0.75 0.24 1.15 -0.00 0.00 0.00 177.93 180.08 3a73 h THR 243 N 0.22 1.21 -0.10 6.26 2.02 -0.25 -1.49 112.91 120.78 3a73 h THR 243 Ca 0.00 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3a73 h THR 243 Cb 1.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3a73 h THR 243 CO 0.08 0.25 -0.19 -0.33 0.37 0.00 0.00 175.52 175.71 3a73 h GLU 244 N 0.76 0.30 -0.90 6.66 4.39 -0.80 -2.98 114.58 122.00 3a73 h GLU 244 Ca 0.19 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.72 3a73 h GLU 244 Cb 0.17 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 3a73 h GLU 244 CO -0.02 0.78 0.60 0.00 -1.16 0.00 0.00 179.01 179.21 3a73 h HIS 247 N 0.21 0.00 0.00 0.00 6.17 -1.22 -3.47 115.15 116.84 3a73 h HIS 247 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 3a73 h HIS 247 Cb 0.43 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.36 3a73 h HIS 247 CO 0.01 0.02 0.00 0.41 0.71 0.00 0.00 177.93 179.07 3a73 n GLY 248 N -0.91 0.66 3.62 5.26 0.00 -0.44 -5.04 105.19 108.34 3a73 n GLY 248 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3a73 n GLY 248 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a73 s ASP 249 N -2.05 6.07 0.10 1.61 -1.08 -1.26 -4.91 116.67 115.15 3a73 s ASP 249 Ca 0.00 1.76 -0.31 0.00 -0.52 0.00 0.00 52.55 53.48 3a73 s ASP 249 Cb 0.00 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.81 3a73 s ASP 249 CO 0.00 -1.49 1.61 0.25 0.52 0.00 0.00 175.17 176.06 3a73 h LEU 250 N 12.76 -1.02 -0.70 -1.34 5.85 -1.96 -1.72 115.31 127.19 3a73 h LEU 250 Ca -0.38 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3a73 h LEU 250 Cb 1.19 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 3a73 h LEU 250 CO 0.99 -0.49 0.39 -0.07 -0.34 0.00 0.00 178.44 178.92 3a73 h LEU 251 N -0.71 0.86 -0.40 2.25 3.38 -1.98 -0.19 115.31 118.53 3a73 h LEU 251 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3a73 h LEU 251 Cb 0.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3a73 h LEU 251 CO -0.11 0.70 0.17 -0.33 0.09 0.00 0.00 178.44 178.96 3a73 h GLU 252 N 0.95 0.58 -0.80 1.13 3.07 -1.96 0.12 114.58 117.68 3a73 h GLU 252 Ca 0.25 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 3a73 h GLU 252 Cb 0.02 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 3a73 h GLU 252 CO -0.04 0.54 0.53 0.00 -1.40 0.00 0.00 179.01 178.64 3a73 h ALA 254 N 1.30 0.28 -0.68 0.00 0.00 -0.64 -1.60 119.26 117.93 3a73 h ALA 254 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a73 h ALA 254 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3a73 h ALA 254 CO -0.07 0.00 0.44 -0.44 0.00 0.00 0.00 179.25 179.18 3a73 h ASP 255 N 0.13 0.79 -0.29 0.00 3.32 -0.72 -0.51 116.42 119.15 3a73 h ASP 255 Ca 0.06 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3a73 h ASP 255 Cb 0.40 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3a73 h ASP 255 CO 0.01 0.58 0.13 0.44 -1.72 0.00 0.00 179.24 178.68 3a73 h ASP 256 N 0.92 0.39 -0.10 6.45 3.45 -1.18 -0.80 116.42 125.56 3a73 h ASP 256 Ca 0.25 -0.15 0.03 0.00 0.43 0.00 0.00 57.03 57.59 3a73 h ASP 256 Cb -0.09 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 38.54 3a73 h ASP 256 CO -0.05 0.44 -0.12 0.03 -1.57 0.00 0.00 179.24 177.97 3a73 h ARG 257 N 0.33 -0.15 -0.84 3.56 3.08 -1.27 -1.96 114.38 117.13 3a73 h ARG 257 Ca 0.10 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3a73 h ARG 257 Cb 0.16 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3a73 h ARG 257 CO -0.01 -0.10 0.44 0.00 -1.07 0.00 0.00 179.97 179.23 3a73 h ALA 258 N 0.90 1.18 -0.65 0.04 0.00 -1.01 -1.24 119.26 118.47 3a73 h ALA 258 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a73 h ALA 258 Cb 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3a73 h ALA 258 CO -0.19 0.64 0.33 -0.44 0.00 0.00 0.00 179.25 179.60 3a73 h ASP 259 N 1.19 0.82 -0.07 0.00 3.45 -0.96 -1.54 116.42 119.31 3a73 h ASP 259 Ca 0.29 -0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.59 3a73 h ASP 259 Cb 0.07 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3a73 h ASP 259 CO -0.04 0.68 -0.29 0.25 -1.57 0.00 0.00 179.24 178.26 3a73 h LEU 260 N 0.92 0.38 -0.69 1.55 5.85 -0.98 -1.63 115.31 120.70 3a73 h LEU 260 Ca 0.23 -0.64 0.08 0.00 0.84 0.00 0.00 57.88 58.39 3a73 h LEU 260 Cb 0.06 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3a73 h LEU 260 CO -0.03 0.96 0.35 0.00 -0.34 0.00 0.00 178.44 179.37 3a73 h ALA 261 N 0.43 0.94 0.00 1.25 0.00 -1.13 0.95 119.26 121.71 3a73 h ALA 261 Ca -0.02 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3a73 h ALA 261 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3a73 h ALA 261 CO 0.06 -0.03 -0.65 1.57 0.00 0.00 0.00 179.25 180.20 3a73 h LYS 262 N 0.61 0.00 -0.62 0.00 2.10 -1.23 -0.21 116.57 117.22 3a73 h LYS 262 Ca 0.33 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.96 3a73 h LYS 262 Cb 0.32 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 3a73 h LYS 262 CO -0.25 0.65 0.31 -0.92 -2.00 0.00 0.00 179.45 177.25 3a73 h TYR 263 N 0.00 0.89 -0.59 0.07 3.20 -0.71 -0.63 116.97 119.20 3a73 h TYR 263 Ca -0.01 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3a73 h TYR 263 Cb 1.43 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3a73 h TYR 263 CO 0.00 0.66 0.12 0.82 -1.64 0.00 0.00 178.16 178.13 3a73 h ILE 264 N 0.85 1.25 0.00 1.81 2.04 -0.52 -1.73 117.51 121.21 3a73 h ILE 264 Ca 0.22 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3a73 h ILE 264 Cb 0.10 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3a73 h ILE 264 CO -0.03 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.47 3a73 n GLU 266 N -2.90 0.20 -0.57 0.00 1.02 -0.26 -3.90 120.64 114.22 3a73 n GLU 266 Ca 0.01 0.05 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 3a73 n GLU 266 Cb 0.27 -1.61 0.16 0.00 -0.02 0.00 0.00 31.44 30.24 3a73 n GLU 266 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a73 n ASN 267 N -1.90 1.71 -0.24 1.62 3.02 -0.62 -4.84 115.26 114.01 3a73 n ASN 267 Ca 0.04 -3.44 0.01 0.00 -0.03 0.00 0.00 54.58 51.16 3a73 n ASN 267 Cb 0.41 -0.47 0.08 0.00 -0.61 0.00 0.00 39.78 39.19 3a73 n ASN 267 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3a73 h GLN 268 N 0.73 0.01 0.00 3.52 4.20 -1.57 0.29 115.11 122.30 3a73 h GLN 268 Ca -0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3a73 h GLN 268 Cb 1.11 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 3a73 h GLN 268 CO 0.01 0.01 -0.01 -0.44 -0.67 0.00 0.00 178.83 177.73 3a73 h ASP 269 N 0.01 0.00 -0.55 1.46 5.19 -1.88 0.10 116.42 120.75 3a73 h ASP 269 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3a73 h ASP 269 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3a73 h ASP 269 CO -0.70 0.01 0.00 -1.54 -3.12 0.00 0.00 179.24 173.89 3a73 n SER 270 N -3.37 3.66 0.06 6.45 3.41 0.10 -4.70 113.62 119.23 3a73 n SER 270 Ca -0.03 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3a73 n SER 270 Cb 0.09 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3a73 n SER 270 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a73 n ILE 271 N 1.51 0.25 -3.60 -1.33 5.41 -0.23 -4.37 119.36 117.01 3a73 n ILE 271 Ca 0.21 0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.91 3a73 n ILE 271 Cb 0.60 -0.90 -0.07 0.00 -0.71 0.00 0.00 39.64 38.56 3a73 n ILE 271 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3a73 s SER 272 N -5.20 -0.63 0.00 4.38 0.15 0.18 -3.98 113.70 108.60 3a73 s SER 272 Ca 0.00 1.05 0.29 0.00 0.70 0.00 0.00 55.95 57.99 3a73 s SER 272 Cb 0.00 1.01 1.45 0.00 -1.71 0.00 0.00 66.02 66.77 3a73 s SER 272 CO 0.00 -0.33 1.96 -1.54 1.20 0.00 0.00 173.24 174.53 3a73 n SER 273 N 1.95 0.69 -0.97 5.45 3.41 -1.26 -3.96 113.62 118.93 3a73 n SER 273 Ca -0.15 -1.27 0.12 0.00 -0.26 0.00 0.00 58.87 57.32 3a73 n SER 273 Cb 0.56 -0.01 0.17 0.00 -0.26 0.00 0.00 64.21 64.67 3a73 n SER 273 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a73 n LYS 274 N -0.44 2.32 -0.22 4.33 4.76 -1.26 -4.53 118.16 123.12 3a73 n LYS 274 Ca 0.21 -1.94 0.11 0.00 -2.87 0.00 0.00 58.31 53.82 3a73 n LYS 274 Cb 0.22 -1.47 0.26 0.00 -1.84 0.00 0.00 35.03 32.20 3a73 n LYS 274 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3a73 n LEU 275 N 1.29 3.09 0.02 -0.35 4.77 -1.25 -4.48 117.00 120.08 3a73 n LEU 275 Ca 0.16 -1.41 -0.10 0.00 -0.03 0.00 0.00 56.01 54.63 3a73 n LEU 275 Cb 0.58 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3a73 n LEU 275 CO 0.15 0.70 0.41 0.07 -1.33 0.00 0.00 177.39 177.40 3a73 h LYS 276 N 3.76 0.52 0.23 3.23 2.10 -1.89 -1.82 116.57 122.70 3a73 h LYS 276 Ca 0.00 -0.37 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 3a73 h LYS 276 Cb 0.84 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 3a73 h LYS 276 CO 0.00 0.99 -0.11 0.93 -2.00 0.00 0.00 179.45 179.26 3a73 h GLU 277 N 0.38 -0.29 -0.86 0.07 5.08 -1.96 -2.77 114.58 114.23 3a73 h GLU 277 Ca -0.01 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.59 3a73 h GLU 277 Cb 1.20 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 3a73 h GLU 277 CO 0.12 0.06 0.21 0.00 -1.00 0.00 0.00 179.01 178.39 3a73 h GLU 280 N 0.00 0.03 -7.09 0.00 5.08 -0.58 -3.48 114.58 108.54 3a73 h GLU 280 Ca 0.00 -0.05 -0.54 0.00 -1.00 0.00 0.00 59.36 57.77 3a73 h GLU 280 Cb 0.30 0.02 0.19 0.00 0.50 0.00 0.00 28.75 29.76 3a73 h GLU 280 CO 0.00 0.88 0.12 1.63 -1.00 0.00 0.00 179.01 180.64 3a73 n LYS 281 N -3.28 0.04 -1.20 2.33 5.02 -0.88 -4.97 118.16 115.21 3a73 n LYS 281 Ca -0.06 0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 3a73 n LYS 281 Cb 0.98 -2.29 0.12 0.00 -0.02 0.00 0.00 35.03 33.82 3a73 n LYS 281 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a73 s PRO 282 N -3.97 1.78 0.31 1.97 0.05 -1.26 -4.74 135.00 129.14 3a73 s PRO 282 Ca 0.70 1.75 0.07 0.00 0.05 0.00 0.00 61.00 63.57 3a73 s PRO 282 Cb -0.28 -1.79 0.87 0.00 0.05 0.00 0.00 34.50 33.35 3a73 s PRO 282 CO 0.55 -2.11 1.65 1.25 0.05 0.00 0.00 177.00 178.39 3a73 h LEU 283 N -0.74 0.20 -1.36 -3.56 6.46 -1.93 -1.72 115.31 112.65 3a73 h LEU 283 Ca -0.47 0.20 0.17 0.00 -0.12 0.00 0.00 57.88 57.66 3a73 h LEU 283 Cb 1.29 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.38 3a73 h LEU 283 CO 0.47 -0.16 0.58 0.25 -0.62 0.00 0.00 178.44 178.96 3a73 h LEU 284 N 0.25 0.56 -0.73 2.25 5.85 -1.90 -3.25 115.31 118.33 3a73 h LEU 284 Ca 0.63 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.40 3a73 h LEU 284 Cb 1.36 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3a73 h LEU 284 CO -0.65 0.26 -0.27 -0.62 -0.34 0.00 0.00 178.44 176.82 3a73 n GLU 285 N -4.55 2.04 0.04 1.25 1.02 -0.67 -4.78 120.64 115.00 3a73 n GLU 285 Ca 0.18 -0.62 -0.13 0.00 -0.02 0.00 0.00 57.16 56.58 3a73 n GLU 285 Cb 0.56 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 3a73 n GLU 285 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3a73 h LYS 286 N 1.23 -0.13 -0.26 3.49 3.64 -1.54 -0.67 116.57 122.33 3a73 h LYS 286 Ca 0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3a73 h LYS 286 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3a73 h LYS 286 CO 0.00 0.28 -0.25 0.66 -2.27 0.00 0.00 179.45 177.87 3a73 h SER 287 N -0.57 0.50 -0.40 4.20 4.64 -1.86 -1.31 113.55 118.75 3a73 h SER 287 Ca -0.01 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.01 3a73 h SER 287 Cb 0.46 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3a73 h SER 287 CO 0.02 0.74 -0.26 -0.74 -0.87 0.00 0.00 176.83 175.73 3a73 h HIS 288 N 0.44 1.02 0.09 4.77 -0.00 -1.86 -1.97 115.15 117.64 3a73 h HIS 288 Ca 0.06 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.16 3a73 h HIS 288 Cb 0.67 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 3a73 h HIS 288 CO 0.02 1.06 -0.05 0.00 -0.00 0.00 0.00 177.93 178.97 3a73 h ILE 290 N -0.13 0.61 0.00 0.00 2.04 -1.19 -0.55 117.51 118.29 3a73 h ILE 290 Ca -0.01 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3a73 h ILE 290 Cb 0.11 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 3a73 h ILE 290 CO 0.01 0.10 -0.22 0.00 0.00 0.00 0.00 178.15 178.04 3a73 h ALA 291 N 1.65 1.10 -0.06 1.87 0.00 -1.15 -2.09 119.26 120.59 3a73 h ALA 291 Ca 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3a73 h ALA 291 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3a73 h ALA 291 CO -0.44 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.47 3a73 n GLU 292 N -3.51 2.17 -2.16 0.00 1.02 -0.28 -5.00 120.64 112.88 3a73 n GLU 292 Ca -0.01 -1.71 -0.37 0.00 -0.02 0.00 0.00 57.16 55.05 3a73 n GLU 292 Cb 0.38 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3a73 n GLU 292 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3a73 s VAL 293 N -1.96 2.89 0.82 2.62 0.11 -0.77 -4.98 120.40 119.12 3a73 s VAL 293 Ca 0.31 0.67 -0.11 0.00 -2.93 0.00 0.00 61.98 59.93 3a73 s VAL 293 Cb 0.20 -3.34 0.08 0.00 -1.53 0.00 0.00 36.38 31.79 3a73 s VAL 293 CO 0.31 -0.00 1.10 -1.83 -3.33 0.00 0.00 175.10 171.34 3a73 s GLU 294 N -2.72 1.89 0.36 1.54 -1.05 -1.26 -4.95 118.70 112.51 3a73 s GLU 294 Ca 0.65 1.20 -0.28 0.00 -0.15 0.00 0.00 54.97 56.39 3a73 s GLU 294 Cb -0.31 -1.85 -0.12 0.00 -0.44 0.00 0.00 34.13 31.41 3a73 s GLU 294 CO 0.38 -1.91 1.34 0.09 0.95 0.00 0.00 175.26 176.10 3a73 n ASN 295 N -3.71 3.00 -4.79 0.83 5.03 -1.26 -4.97 115.26 109.39 3a73 n ASN 295 Ca 0.09 1.20 -0.33 0.00 0.87 0.00 0.00 54.58 56.42 3a73 n ASN 295 Cb 0.53 -1.52 0.02 0.00 -1.02 0.00 0.00 39.78 37.79 3a73 n ASN 295 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a73 s ASP 296 N -0.29 5.64 0.61 6.41 2.15 -0.26 -5.01 116.67 125.93 3a73 s ASP 296 Ca 0.55 1.92 -0.17 0.00 0.43 0.00 0.00 52.55 55.28 3a73 s ASP 296 Cb -0.54 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.51 3a73 s ASP 296 CO 0.62 -1.26 1.10 -1.83 -0.17 0.00 0.00 175.17 173.63 3a73 s GLU 297 N -3.91 3.09 0.41 4.34 -1.05 -1.26 -4.69 118.70 115.62 3a73 s GLU 297 Ca 0.66 1.43 -0.24 0.00 -0.15 0.00 0.00 54.97 56.67 3a73 s GLU 297 Cb -0.18 -1.99 -0.09 0.00 -0.44 0.00 0.00 34.13 31.43 3a73 s GLU 297 CO 0.35 -1.02 1.03 1.41 0.95 0.00 0.00 175.26 177.99 3a73 s MET 298 N -3.80 4.16 0.47 -4.83 1.75 -1.26 -4.63 119.30 111.16 3a73 s MET 298 Ca 0.68 1.46 -0.23 0.00 -1.25 0.00 0.00 55.69 56.34 3a73 s MET 298 Cb -0.21 -2.49 -0.07 0.00 2.84 0.00 0.00 34.83 34.91 3a73 s MET 298 CO 0.35 -0.14 1.27 -2.14 -0.65 0.00 0.00 175.02 173.71 3a73 s PRO 299 N -2.59 3.62 0.45 4.11 0.02 -1.26 -4.97 135.00 134.37 3a73 s PRO 299 Ca 0.59 2.03 -0.16 0.00 0.02 0.00 0.00 61.00 63.48 3a73 s PRO 299 Cb -0.20 -2.46 -0.08 0.00 0.02 0.00 0.00 34.50 31.78 3a73 s PRO 299 CO 0.25 -0.74 0.90 0.00 -0.33 0.00 0.00 177.00 177.08 3a73 s ALA 300 N -1.39 3.15 -1.11 -1.55 0.00 -1.26 -4.27 121.76 115.33 3a73 s ALA 300 Ca 0.64 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 3a73 s ALA 300 Cb -0.35 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3a73 s ALA 300 CO 0.43 -0.03 0.59 -0.25 0.00 0.00 0.00 175.76 176.50 3a73 n ASP 301 N -1.14 -5.07 -4.74 0.00 9.92 -1.26 -4.95 116.55 109.31 3a73 n ASP 301 Ca 0.05 -0.27 -0.41 0.00 -0.53 0.00 0.00 54.79 53.63 3a73 n ASP 301 Cb 0.54 -3.84 -0.03 0.00 -0.64 0.00 0.00 41.12 37.15 3a73 n ASP 301 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3a73 s LEU 302 N -5.28 4.44 0.75 0.64 1.43 -1.26 -4.98 118.68 114.41 3a73 s LEU 302 Ca 0.29 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 3a73 s LEU 302 Cb -0.13 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3a73 s LEU 302 CO 0.36 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.43 3a73 s PRO 303 N -0.29 2.40 0.67 1.29 0.04 -1.26 -4.99 135.00 132.87 3a73 s PRO 303 Ca 0.54 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 3a73 s PRO 303 Cb -0.35 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3a73 s PRO 303 CO 0.38 -1.53 0.65 0.45 0.04 0.00 0.00 177.00 177.00 3a73 n SER 304 N -3.36 -0.64 0.00 6.66 2.88 -1.26 -4.93 113.62 112.97 3a73 n SER 304 Ca 0.09 0.66 0.13 0.00 -1.33 0.00 0.00 58.87 58.42 3a73 n SER 304 Cb 0.53 -1.26 0.69 0.00 -0.75 0.00 0.00 64.21 63.43 3a73 n SER 304 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3a73 n LEU 305 N -0.39 0.00 -0.16 2.46 4.32 -1.26 -4.18 117.00 117.78 3a73 n LEU 305 Ca 0.11 0.20 -0.08 0.00 -0.02 0.00 0.00 56.01 56.23 3a73 n LEU 305 Cb 0.49 -0.20 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 3a73 n LEU 305 CO 0.50 -0.03 1.01 0.00 -1.22 0.00 0.00 177.39 177.65 3a73 h ALA 306 N 3.36 0.61 0.30 -1.18 0.00 -1.96 -2.45 119.26 117.94 3a73 h ALA 306 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a73 h ALA 306 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a73 h ALA 306 CO 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 179.25 179.21 3a73 h ALA 307 N 1.10 -0.46 0.00 0.00 0.00 -1.97 0.26 119.26 118.19 3a73 h ALA 307 Ca 0.17 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3a73 h ALA 307 Cb 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3a73 h ALA 307 CO -0.03 -0.77 -0.66 -0.44 0.00 0.00 0.00 179.25 177.35 3a73 h ASP 308 N -0.47 0.00 0.00 0.00 3.45 -1.84 0.01 116.42 117.56 3a73 h ASP 308 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3a73 h ASP 308 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3a73 h ASP 308 CO 0.03 0.66 -0.31 0.49 -1.57 0.00 0.00 179.24 178.55 3a73 n PHE 309 N -3.35 0.00 0.07 4.55 3.01 -0.93 -4.65 117.46 116.15 3a73 n PHE 309 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3a73 n PHE 309 Cb 0.77 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 3a73 n PHE 309 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3a73 n VAL 310 N -1.16 0.54 0.08 -4.37 0.31 -0.48 -4.92 118.33 108.33 3a73 n VAL 310 Ca 0.01 0.18 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 3a73 n VAL 310 Cb 0.08 -1.13 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 3a73 n VAL 310 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3a73 h GLU 311 N 0.00 0.08 -6.69 5.55 5.08 -0.64 -3.46 114.58 114.50 3a73 h GLU 311 Ca 0.00 -0.12 -0.53 0.00 -1.00 0.00 0.00 59.36 57.71 3a73 h GLU 311 Cb 0.16 0.04 0.07 0.00 0.50 0.00 0.00 28.75 29.52 3a73 h GLU 311 CO 0.00 1.01 0.94 0.45 -1.00 0.00 0.00 179.01 180.40 3a73 n SER 312 N -3.46 3.84 0.28 1.42 2.88 -0.01 -4.84 113.62 113.73 3a73 n SER 312 Ca -0.02 1.10 0.15 0.00 -1.33 0.00 0.00 58.87 58.76 3a73 n SER 312 Cb 0.91 -1.57 0.87 0.00 -0.75 0.00 0.00 64.21 63.68 3a73 n SER 312 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3a73 h LYS 313 N 5.89 0.00 -0.90 -1.46 2.10 -1.90 -2.59 116.57 117.71 3a73 h LYS 313 Ca -0.45 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 3a73 h LYS 313 Cb 1.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3a73 h LYS 313 CO 0.88 0.00 0.01 -0.25 -2.00 0.00 0.00 179.45 178.09 3a73 n ASP 314 N -3.92 2.28 0.09 7.07 10.43 -1.26 -4.52 116.55 126.72 3a73 n ASP 314 Ca -0.02 -2.25 -0.12 0.00 2.57 0.00 0.00 54.79 54.96 3a73 n ASP 314 Cb 0.12 -0.55 -0.07 0.00 1.84 0.00 0.00 41.12 42.46 3a73 n ASP 314 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3a73 h VAL 315 N 0.99 0.82 -0.29 2.53 2.07 -1.78 -0.21 116.25 120.38 3a73 h VAL 315 Ca 0.01 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 3a73 h VAL 315 Cb 0.92 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3a73 h VAL 315 CO 0.14 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.36 3a73 h LYS 317 N 0.51 -0.65 -0.70 0.00 3.64 -1.86 0.97 116.57 118.47 3a73 h LYS 317 Ca 0.04 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3a73 h LYS 317 Cb 0.95 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3a73 h LYS 317 CO 0.09 -0.44 0.45 -0.91 -2.27 0.00 0.00 179.45 176.37 3a73 h ASN 318 N -0.68 0.76 0.20 4.20 2.35 -0.99 -2.49 115.58 118.93 3a73 h ASN 318 Ca 0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3a73 h ASN 318 Cb 0.70 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3a73 h ASN 318 CO -0.24 0.54 -0.09 0.22 -1.65 0.00 0.00 177.43 176.20 3a73 h TYR 319 N 0.90 -0.24 0.00 1.19 -0.00 -0.22 -3.26 116.97 115.33 3a73 h TYR 319 Ca 0.27 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.96 3a73 h TYR 319 Cb -0.04 0.08 -0.00 0.00 -0.00 0.00 0.00 36.73 36.76 3a73 h TYR 319 CO -0.03 -0.06 -0.16 0.00 -0.00 0.00 0.00 178.16 177.90 3a73 h ALA 320 N 0.40 1.43 0.00 1.82 0.00 0.13 -2.63 119.26 120.42 3a73 h ALA 320 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3a73 h ALA 320 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a73 h ALA 320 CO 0.04 0.21 -0.19 1.05 0.00 0.00 0.00 179.25 180.36 3a73 h GLU 321 N 0.00 0.00 -0.77 0.00 4.11 -1.50 -3.39 114.58 113.03 3a73 h GLU 321 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3a73 h GLU 321 Cb 0.36 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.43 3a73 h GLU 321 CO 0.02 0.19 -0.35 0.00 0.07 0.00 0.00 179.01 178.94 3a73 s ALA 322 N -3.50 -2.97 0.07 1.06 0.00 -1.01 -5.07 121.76 110.35 3a73 s ALA 322 Ca 0.02 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.26 3a73 s ALA 322 Cb 0.09 -2.82 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 3a73 s ALA 322 CO 0.64 -2.30 1.56 0.87 0.00 0.00 0.00 175.76 176.52 3a73 h LYS 323 N 6.42 0.28 0.00 0.00 1.57 -1.72 -1.99 116.57 121.13 3a73 h LYS 323 Ca 0.03 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3a73 h LYS 323 Cb 1.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3a73 h LYS 323 CO 0.04 0.43 -0.49 -0.44 -0.57 0.00 0.00 179.45 178.42 3a73 h ASP 324 N 0.08 0.00 -0.52 0.86 3.32 -1.98 -1.47 116.42 116.72 3a73 h ASP 324 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3a73 h ASP 324 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3a73 h ASP 324 CO 0.00 0.49 -0.11 0.58 -1.72 0.00 0.00 179.24 178.48 3a73 h VAL 325 N 0.00 1.27 -0.31 -1.35 2.07 -1.85 -1.23 116.25 114.85 3a73 h VAL 325 Ca -0.00 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 3a73 h VAL 325 Cb 1.06 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3a73 h VAL 325 CO 0.06 0.44 -0.07 0.15 0.02 0.00 0.00 177.57 178.18 3a73 h PHE 326 N 0.86 0.66 -0.42 1.57 3.57 -0.84 -0.14 116.94 122.19 3a73 h PHE 326 Ca 0.13 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3a73 h PHE 326 Cb 0.68 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3a73 h PHE 326 CO 0.05 0.77 0.15 -0.07 -2.23 0.00 0.00 178.31 176.98 3a73 h LEU 327 N 0.36 0.55 -0.35 0.59 3.38 -1.30 0.52 115.31 119.06 3a73 h LEU 327 Ca 0.08 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3a73 h LEU 327 Cb 0.55 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3a73 h LEU 327 CO 0.03 0.51 -0.45 1.23 0.09 0.00 0.00 178.44 179.85 3a73 h GLY 328 N 0.77 1.01 1.00 0.83 0.00 -0.78 0.51 103.07 106.42 3a73 h GLY 328 Ca 0.15 -1.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.36 3a73 h GLY 328 CO -0.01 0.98 0.32 -0.33 0.00 0.00 0.00 176.54 177.50 3a73 h MET 329 N 0.74 0.96 0.13 4.80 2.86 -0.28 0.22 114.93 124.37 3a73 h MET 329 Ca 0.04 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3a73 h MET 329 Cb 1.05 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3a73 h MET 329 CO 0.11 0.76 -0.06 0.35 1.06 0.00 0.00 176.91 179.12 3a73 h PHE 330 N 0.93 -0.17 -0.28 -0.22 3.57 -0.81 -0.20 116.94 119.77 3a73 h PHE 330 Ca 0.23 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.79 3a73 h PHE 330 Cb 0.12 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 3a73 h PHE 330 CO 0.00 0.07 -0.16 1.25 -2.23 0.00 0.00 178.31 177.24 3a73 h LEU 331 N -0.39 -0.53 -0.35 0.59 5.85 0.28 -0.86 115.31 119.90 3a73 h LEU 331 Ca -0.02 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3a73 h LEU 331 Cb 0.31 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3a73 h LEU 331 CO 0.03 -0.20 -0.25 0.22 -0.34 0.00 0.00 178.44 177.90 3a73 h TYR 332 N -0.13 -0.67 -0.63 1.25 5.03 -0.49 0.50 116.97 121.83 3a73 h TYR 332 Ca 0.15 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.49 3a73 h TYR 332 Cb 0.36 0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.96 3a73 h TYR 332 CO -0.35 -0.33 0.32 0.93 -1.32 0.00 0.00 178.16 177.42 3a73 h GLU 333 N -0.21 0.90 -0.28 1.82 4.39 -0.77 -1.00 114.58 119.43 3a73 h GLU 333 Ca 0.17 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 3a73 h GLU 333 Cb 0.48 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3a73 h GLU 333 CO -0.47 0.70 -0.35 -0.92 -1.16 0.00 0.00 179.01 176.81 3a73 h TYR 334 N 0.86 0.72 0.05 4.33 5.03 -0.87 -3.21 116.97 123.88 3a73 h TYR 334 Ca 0.22 -0.19 -0.24 0.00 2.58 0.00 0.00 58.73 61.10 3a73 h TYR 334 Cb 0.09 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 3a73 h TYR 334 CO -0.00 0.88 -1.05 0.00 -1.32 0.00 0.00 178.16 176.67 3a73 h ALA 335 N 1.10 0.30 -0.24 1.82 0.00 -0.53 -2.74 119.26 118.96 3a73 h ALA 335 Ca 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 3a73 h ALA 335 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a73 h ALA 335 CO 0.07 0.94 -0.06 0.07 0.00 0.00 0.00 179.25 180.28 3a73 h ARG 336 N 0.12 0.37 -0.00 0.00 0.11 -1.24 -1.60 114.38 112.13 3a73 h ARG 336 Ca -0.09 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3a73 h ARG 336 Cb 1.73 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.76 3a73 h ARG 336 CO 0.17 0.45 -0.14 0.54 0.10 0.00 0.00 179.97 181.09 3a73 n ARG 337 N -4.29 0.39 -3.24 0.08 1.74 -1.16 -4.57 116.66 105.61 3a73 n ARG 337 Ca 0.00 -0.12 -0.24 0.00 -0.77 0.00 0.00 57.85 56.72 3a73 n ARG 337 Cb 0.25 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 3a73 n ARG 337 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3a73 n HIS 338 N -1.20 0.57 0.36 -1.55 8.25 -0.60 -4.89 115.22 116.16 3a73 n HIS 338 Ca 0.11 -3.70 0.14 0.00 -0.26 0.00 0.00 57.72 54.01 3a73 n HIS 338 Cb 0.30 -0.40 0.55 0.00 1.12 0.00 0.00 29.99 31.56 3a73 n HIS 338 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3a73 h PRO 339 N 3.98 0.00 -0.00 -0.41 0.13 -1.81 -2.43 132.00 131.47 3a73 h PRO 339 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3a73 h PRO 339 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3a73 h PRO 339 CO 0.55 0.00 -0.00 -0.40 -0.23 0.00 0.00 178.00 177.91 3a73 n ASP 340 N -2.55 0.01 -4.92 1.44 3.85 -1.26 -4.83 116.55 108.30 3a73 n ASP 340 Ca 0.02 -0.39 -0.29 0.00 -0.71 0.00 0.00 54.79 53.42 3a73 n ASP 340 Cb 0.27 -0.20 -0.04 0.00 -1.35 0.00 0.00 41.12 39.80 3a73 n ASP 340 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3a73 s TYR 341 N -2.41 3.49 0.69 2.11 4.12 -0.92 -4.41 117.35 120.03 3a73 s TYR 341 Ca 0.34 0.31 -0.16 0.00 0.02 0.00 0.00 57.07 57.58 3a73 s TYR 341 Cb 0.21 -1.81 0.02 0.00 -1.52 0.00 0.00 41.96 38.85 3a73 s TYR 341 CO 0.44 0.49 1.20 -1.54 0.02 0.00 0.00 175.55 176.16 3a73 s SER 342 N -2.79 4.52 0.27 2.29 1.04 -1.26 -4.47 113.70 113.30 3a73 s SER 342 Ca 0.37 2.33 -0.02 0.00 0.48 0.00 0.00 55.95 59.11 3a73 s SER 342 Cb -0.12 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.79 3a73 s SER 342 CO 0.28 -2.04 1.82 0.58 0.98 0.00 0.00 173.24 174.86 3a73 h VAL 343 N 0.01 1.23 0.00 5.02 2.07 -1.95 -2.64 116.25 119.98 3a73 h VAL 343 Ca -0.48 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 3a73 h VAL 343 Cb 1.29 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3a73 h VAL 343 CO 0.51 0.31 -0.33 -0.37 0.02 0.00 0.00 177.57 177.71 3a73 h VAL 344 N 0.84 1.09 -0.19 2.57 -1.51 -1.96 -2.10 116.25 114.99 3a73 h VAL 344 Ca 0.19 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.45 3a73 h VAL 344 Cb 0.28 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 3a73 h VAL 344 CO -0.00 0.32 0.01 0.25 -1.23 0.00 0.00 177.57 176.92 3a73 h LEU 345 N 0.00 0.32 -1.04 4.19 6.46 -1.85 0.12 115.31 123.51 3a73 h LEU 345 Ca -0.00 -0.29 0.08 0.00 -0.12 0.00 0.00 57.88 57.55 3a73 h LEU 345 Cb 0.64 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.41 3a73 h LEU 345 CO 0.04 0.53 0.63 -0.07 -0.62 0.00 0.00 178.44 178.96 3a73 h LEU 346 N 0.10 0.98 -0.47 2.25 3.38 -1.25 -1.05 115.31 119.25 3a73 h LEU 346 Ca 0.06 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3a73 h LEU 346 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3a73 h LEU 346 CO 0.01 0.59 0.08 -0.07 0.09 0.00 0.00 178.44 179.14 3a73 h LEU 347 N 1.09 0.74 -0.95 1.67 3.38 -0.91 0.10 115.31 120.43 3a73 h LEU 347 Ca 0.44 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.33 3a73 h LEU 347 Cb 0.28 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3a73 h LEU 347 CO -0.19 0.81 0.56 0.03 0.09 0.00 0.00 178.44 179.73 3a73 h ARG 348 N 0.65 0.73 -0.05 1.13 3.08 0.24 -1.46 114.38 118.70 3a73 h ARG 348 Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3a73 h ARG 348 Cb 0.38 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3a73 h ARG 348 CO 0.01 0.48 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.26 3a73 h LEU 349 N 0.75 0.14 -1.23 3.04 3.38 -0.62 -2.26 115.31 118.52 3a73 h LEU 349 Ca 0.53 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a73 h LEU 349 Cb 0.76 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3a73 h LEU 349 CO -0.36 0.63 0.45 0.00 0.09 0.00 0.00 178.44 179.24 3a73 h ALA 350 N 0.52 1.43 -0.53 1.53 0.00 -0.94 0.48 119.26 121.75 3a73 h ALA 350 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3a73 h ALA 350 Cb 0.59 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3a73 h ALA 350 CO 0.02 0.51 -0.11 0.87 0.00 0.00 0.00 179.25 180.53 3a73 h LYS 351 N 0.99 1.00 -0.21 0.00 1.79 -1.24 -1.19 116.57 117.72 3a73 h LYS 351 Ca 0.26 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3a73 h LYS 351 Cb -0.06 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3a73 h LYS 351 CO -0.05 1.05 0.13 1.15 -1.08 0.00 0.00 179.45 180.65 3a73 h THR 352 N 0.89 1.06 -0.23 -0.16 2.02 -1.07 0.13 112.91 115.55 3a73 h THR 352 Ca 0.14 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3a73 h THR 352 Cb 0.67 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3a73 h THR 352 CO 0.05 0.06 -0.03 0.22 0.37 0.00 0.00 175.52 176.19 3a73 h TYR 353 N 0.27 -0.06 0.17 3.16 -0.00 -0.78 -2.13 116.97 117.61 3a73 h TYR 353 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 58.73 58.84 3a73 h TYR 353 Cb -0.02 0.06 -0.03 0.00 -0.00 0.00 0.00 36.73 36.74 3a73 h TYR 353 CO -0.06 -0.06 -0.30 1.49 -0.00 0.00 0.00 178.16 179.23 3a73 h GLU 354 N 0.04 -0.52 -0.80 1.82 4.81 -0.94 -1.18 114.58 117.81 3a73 h GLU 354 Ca 0.11 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.52 3a73 h GLU 354 Cb 0.15 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 3a73 h GLU 354 CO -0.20 -0.35 0.35 1.15 -0.73 0.00 0.00 179.01 179.23 3a73 h THR 355 N -0.54 0.66 -0.25 0.32 2.02 -0.89 -0.13 112.91 114.10 3a73 h THR 355 Ca 0.02 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3a73 h THR 355 Cb 0.55 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3a73 h THR 355 CO -0.14 0.09 -0.20 0.00 0.37 0.00 0.00 175.52 175.64 3a73 h THR 356 N 0.49 1.31 -0.26 3.16 1.03 -0.84 -2.11 112.91 115.69 3a73 h THR 356 Ca 0.44 -1.34 0.05 0.00 -0.01 0.00 0.00 66.41 65.56 3a73 h THR 356 Cb 0.68 1.62 -0.05 0.00 -1.07 0.00 0.00 68.15 69.33 3a73 h THR 356 CO -0.40 0.42 -0.08 -0.07 -0.01 0.00 0.00 175.52 175.38 3a73 h LEU 357 N 0.30 -0.28 -0.28 0.00 4.07 -0.90 1.55 115.31 119.77 3a73 h LEU 357 Ca 0.05 0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.15 3a73 h LEU 357 Cb 0.74 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.60 3a73 h LEU 357 CO 0.05 -0.10 -0.10 -0.33 -1.08 0.00 0.00 178.44 176.87 3a73 h GLU 358 N -0.02 -0.05 0.15 1.13 4.39 -0.88 0.21 114.58 119.51 3a73 h GLU 358 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3a73 h GLU 358 Cb 0.22 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3a73 h GLU 358 CO -0.28 -0.03 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.24 3a73 h LYS 359 N -0.05 -0.19 -0.21 2.33 3.64 -1.05 -3.31 116.57 117.73 3a73 h LYS 359 Ca 0.14 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3a73 h LYS 359 Cb 0.27 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3a73 h LYS 359 CO -0.32 0.18 -0.26 0.00 -2.27 0.00 0.00 179.45 176.79 3a73 n ALA 362 N -2.13 3.33 -2.20 0.00 0.00 -1.02 -4.90 120.51 113.60 3a73 n ALA 362 Ca 0.00 -1.71 -0.18 0.00 0.00 0.00 0.00 53.44 51.55 3a73 n ALA 362 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3a73 n ALA 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a73 s ALA 363 N -2.14 4.40 0.24 0.00 0.00 -0.78 -5.02 121.76 118.45 3a73 s ALA 363 Ca 0.53 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 3a73 s ALA 363 Cb 0.36 -1.62 0.42 0.00 0.00 0.00 0.00 23.12 22.28 3a73 s ALA 363 CO 0.22 -0.18 1.74 0.00 0.00 0.00 0.00 175.76 177.54 3a73 h ALA 364 N 0.76 1.03 -2.94 0.00 0.00 -1.94 -3.35 119.26 112.82 3a73 h ALA 364 Ca -0.42 0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.02 3a73 h ALA 364 Cb 1.27 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.72 3a73 h ALA 364 CO 0.48 -0.17 -0.77 0.34 0.00 0.00 0.00 179.25 179.13 3a73 s ASP 365 N -5.38 3.69 0.23 0.00 3.68 -1.26 -5.01 116.67 112.61 3a73 s ASP 365 Ca -0.12 -1.72 -0.07 0.00 2.13 0.00 0.00 52.55 52.77 3a73 s ASP 365 Cb 0.20 -0.66 0.36 0.00 -1.45 0.00 0.00 42.92 41.37 3a73 s ASP 365 CO 0.76 -0.39 1.74 -0.65 0.13 0.00 0.00 175.17 176.76 3a73 h PRO 366 N 7.89 0.45 -0.27 4.34 0.11 -1.70 -1.45 132.00 141.36 3a73 h PRO 366 Ca -0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3a73 h PRO 366 Cb 1.00 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3a73 h PRO 366 CO 0.43 0.30 0.04 1.25 -0.21 0.00 0.00 178.00 179.81 3a73 h HIS 367 N 0.46 0.48 0.00 0.65 -0.00 -1.95 0.40 115.15 115.20 3a73 h HIS 367 Ca 0.36 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.60 3a73 h HIS 367 Cb 0.48 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 3a73 h HIS 367 CO -0.16 0.56 -0.28 1.49 -0.00 0.00 0.00 177.93 179.55 3a73 h GLU 368 N 0.27 0.00 -0.07 5.26 4.57 -1.96 -2.37 114.58 120.28 3a73 h GLU 368 Ca 0.08 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 3a73 h GLU 368 Cb 0.34 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3a73 h GLU 368 CO 0.01 0.28 -0.45 0.00 -1.18 0.00 0.00 179.01 177.66 3a73 n TYR 370 N -4.30 0.20 -0.04 0.00 0.18 -0.04 -4.54 117.16 108.62 3a73 n TYR 370 Ca -0.08 -0.10 0.23 0.00 1.88 0.00 0.00 57.90 59.82 3a73 n TYR 370 Cb 0.58 0.00 0.71 0.00 -0.38 0.00 0.00 39.34 40.25 3a73 n TYR 370 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3a73 h ALA 371 N 4.40 2.56 -0.41 -3.48 0.00 -1.46 0.11 119.26 120.99 3a73 h ALA 371 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a73 h ALA 371 Cb 0.75 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a73 h ALA 371 CO 0.00 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 180.08 3a73 n LYS 372 N -4.24 3.19 -0.25 0.00 4.76 -1.26 -4.70 118.16 115.66 3a73 n LYS 372 Ca 0.12 -2.60 0.16 0.00 -2.87 0.00 0.00 58.31 53.13 3a73 n LYS 372 Cb 0.73 -1.67 0.45 0.00 -1.84 0.00 0.00 35.03 32.70 3a73 n LYS 372 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3a73 h VAL 373 N 2.56 0.74 -0.55 -0.18 3.04 -1.07 0.18 116.25 120.98 3a73 h VAL 373 Ca 0.00 -0.18 0.11 0.00 -1.01 0.00 0.00 66.70 65.62 3a73 h VAL 373 Cb 1.22 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 3a73 h VAL 373 CO 0.16 0.10 0.37 -0.26 -1.01 0.00 0.00 177.57 176.93 3a73 h PHE 374 N 0.52 0.28 -0.45 3.17 -1.00 -1.84 0.77 116.94 118.40 3a73 h PHE 374 Ca 0.46 0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.26 3a73 h PHE 374 Cb 0.97 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 3a73 h PHE 374 CO -0.00 0.13 0.30 -0.44 -1.61 0.00 0.00 178.31 176.68 3a73 h ASP 375 N 0.26 0.49 0.86 2.17 5.19 -1.01 0.16 116.42 124.55 3a73 h ASP 375 Ca 0.26 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3a73 h ASP 375 Cb 0.66 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3a73 h ASP 375 CO -0.05 0.35 0.00 -0.33 -3.12 0.00 0.00 179.24 176.09 3a73 h GLU 376 N 0.58 0.00 0.00 3.56 5.08 -0.93 -1.47 114.58 121.39 3a73 h GLU 376 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3a73 h GLU 376 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3a73 h GLU 376 CO -0.04 0.00 0.00 0.74 -1.00 0.00 0.00 179.01 178.71 3a73 h PHE 377 N 0.00 0.00 0.00 4.33 0.05 -0.70 -3.36 116.94 117.25 3a73 h PHE 377 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3a73 h PHE 377 Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.38 3a73 h PHE 377 CO 0.00 0.00 0.00 1.63 -0.18 0.00 0.00 178.31 179.76 3a73 n LYS 378 N -2.66 0.00 0.32 1.51 5.02 -0.55 -2.09 118.16 119.70 3a73 n LYS 378 Ca 0.03 0.26 0.20 0.00 -2.02 0.00 0.00 58.31 56.78 3a73 n LYS 378 Cb 0.34 -1.08 1.04 0.00 -0.02 0.00 0.00 35.03 35.31 3a73 n LYS 378 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3a73 h PRO 379 N 0.00 0.00 -0.15 1.97 0.14 -1.76 -1.27 132.00 130.93 3a73 h PRO 379 Ca 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 66.00 66.08 3a73 h PRO 379 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.14 3a73 h PRO 379 CO 0.00 0.00 -0.14 -0.07 0.14 0.00 0.00 178.00 177.93 3a73 h LEU 380 N 0.00 0.38 -0.27 1.56 3.38 -1.67 -2.86 115.31 115.83 3a73 h LEU 380 Ca 0.01 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3a73 h LEU 380 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3a73 h LEU 380 CO -0.00 0.78 0.14 0.58 0.09 0.00 0.00 178.44 180.03 3a73 h VAL 381 N -0.01 1.14 -0.33 1.22 2.07 -0.69 -3.32 116.25 116.32 3a73 h VAL 381 Ca 0.02 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3a73 h VAL 381 Cb 0.67 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3a73 h VAL 381 CO 0.04 0.14 0.20 -0.08 0.02 0.00 0.00 177.57 177.89 3a73 h GLU 382 N 0.32 0.41 -0.46 1.57 4.81 -1.33 -2.97 114.58 116.92 3a73 h GLU 382 Ca 0.10 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3a73 h GLU 382 Cb 0.10 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.29 3a73 h GLU 382 CO -0.01 0.27 -0.33 1.49 -0.73 0.00 0.00 179.01 179.70 3a73 h GLU 383 N 0.42 -0.21 0.00 1.92 4.22 -1.61 0.72 114.58 120.04 3a73 h GLU 383 Ca 0.12 0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.43 3a73 h GLU 383 Cb -0.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3a73 h GLU 383 CO -0.04 -0.14 -0.71 -1.00 -2.18 0.00 0.00 179.01 174.94 3a73 h PRO 384 N -0.22 0.00 -0.61 0.92 0.13 -1.70 -2.01 132.00 128.51 3a73 h PRO 384 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3a73 h PRO 384 Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 3a73 h PRO 384 CO -0.58 0.71 0.20 1.96 -0.23 0.00 0.00 178.00 180.05 3a73 h GLN 385 N 0.00 0.92 0.01 0.86 4.20 -1.01 -2.03 115.11 118.06 3a73 h GLN 385 Ca -0.01 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.33 3a73 h GLN 385 Cb 1.48 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 3a73 h GLN 385 CO 0.09 0.79 -0.96 -0.91 -0.67 0.00 0.00 178.83 177.17 3a73 h ASN 386 N 0.89 0.03 -0.19 1.46 2.35 0.51 -0.74 115.58 119.90 3a73 h ASN 386 Ca 0.20 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 3a73 h ASN 386 Cb 0.25 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3a73 h ASN 386 CO -0.01 0.97 -0.55 0.25 -1.65 0.00 0.00 177.43 176.43 3a73 h LEU 387 N 0.01 0.87 -0.40 1.61 5.85 -1.27 -2.64 115.31 119.34 3a73 h LEU 387 Ca -0.02 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 3a73 h LEU 387 Cb 1.68 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3a73 h LEU 387 CO 0.13 1.24 0.07 0.40 -0.34 0.00 0.00 178.44 179.94 3a73 h ILE 388 N 0.60 1.24 -0.43 4.05 2.04 -1.14 -2.12 117.51 121.73 3a73 h ILE 388 Ca 0.01 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3a73 h ILE 388 Cb 1.14 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 38.15 3a73 h ILE 388 CO 0.12 0.29 -0.48 0.50 0.00 0.00 0.00 178.15 178.58 3a73 h LYS 389 N 0.51 -0.33 -0.18 2.37 3.64 -1.07 -0.75 116.57 120.76 3a73 h LYS 389 Ca 0.12 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3a73 h LYS 389 Cb 0.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3a73 h LYS 389 CO 0.01 -0.22 -0.36 -0.56 -2.27 0.00 0.00 179.45 176.04 3a73 h GLN 390 N -0.34 0.56 -0.18 1.90 3.07 -1.45 0.24 115.11 118.91 3a73 h GLN 390 Ca 0.12 -0.36 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 3a73 h GLN 390 Cb 0.59 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 3a73 h GLN 390 CO -0.60 0.98 0.11 -0.91 0.09 0.00 0.00 178.83 178.49 3a73 h ASN 391 N 0.21 0.21 -0.67 0.06 4.21 -1.38 0.37 115.58 118.60 3a73 h ASN 391 Ca 0.01 -0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.44 3a73 h ASN 391 Cb 0.96 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 38.08 3a73 h ASN 391 CO 0.08 0.19 0.30 0.00 -1.29 0.00 0.00 177.43 176.71 3a73 h GLU 393 N 0.93 0.69 -0.51 0.00 5.08 -0.29 -1.28 114.58 119.21 3a73 h GLU 393 Ca 0.23 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3a73 h GLU 393 Cb 0.15 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3a73 h GLU 393 CO -0.02 0.46 -0.10 1.25 -1.00 0.00 0.00 179.01 179.59 3a73 h LEU 394 N 0.71 0.94 -1.93 1.33 6.46 0.05 -2.23 115.31 120.64 3a73 h LEU 394 Ca 0.22 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3a73 h LEU 394 Cb -0.01 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.66 3a73 h LEU 394 CO -0.08 1.05 -0.06 0.15 -0.62 0.00 0.00 178.44 178.88 3a73 h PHE 395 N 0.84 0.00 0.00 1.25 3.57 0.15 -2.54 116.94 120.22 3a73 h PHE 395 Ca 0.14 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 3a73 h PHE 395 Cb 0.64 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3a73 h PHE 395 CO 0.04 0.06 -1.12 0.93 -2.23 0.00 0.00 178.31 175.99 3a73 h GLU 396 N 0.00 0.00 0.00 1.11 4.39 -0.67 -1.78 114.58 117.63 3a73 h GLU 396 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3a73 h GLU 396 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3a73 h GLU 396 CO 0.01 0.33 0.00 -0.56 -1.16 0.00 0.00 179.01 177.63 3a73 h GLN 397 N 0.00 0.00 0.00 2.33 3.07 -1.17 -3.39 115.11 115.95 3a73 h GLN 397 Ca -0.10 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.42 3a73 h GLN 397 Cb 1.49 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.01 3a73 h GLN 397 CO 0.05 0.00 -1.83 1.28 0.09 0.00 0.00 178.83 178.42 3a73 n LEU 398 N -2.96 2.56 0.00 0.06 4.32 -0.98 -5.12 117.00 114.88 3a73 n LEU 398 Ca 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 3a73 n LEU 398 Cb 0.51 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3a73 n LEU 398 CO 0.33 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 3a73 n GLY 399 N 2.73 -1.22 0.38 -0.72 0.00 -0.68 -4.24 105.19 101.44 3a73 n GLY 399 Ca -0.25 -1.43 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 3a73 n GLY 399 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a73 h GLU 400 N 0.00 -0.11 0.54 1.61 4.81 -1.93 -0.41 114.58 119.09 3a73 h GLU 400 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3a73 h GLU 400 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3a73 h GLU 400 CO 0.00 -0.08 -0.39 -0.92 -0.73 0.00 0.00 179.01 176.90 3a73 h TYR 401 N -0.12 -1.04 0.00 0.92 -0.00 -1.96 -0.92 116.97 113.85 3a73 h TYR 401 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.97 3a73 h TYR 401 Cb 0.56 0.38 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 3a73 h TYR 401 CO -0.78 -0.57 0.00 0.87 -0.00 0.00 0.00 178.16 177.68 3a73 h LYS 402 N -0.90 0.00 0.09 1.82 1.57 -1.55 -2.22 116.57 115.38 3a73 h LYS 402 Ca -0.06 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 3a73 h LYS 402 Cb 0.75 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.08 3a73 h LYS 402 CO 0.02 0.00 -0.76 0.35 -0.57 0.00 0.00 179.45 178.50 3a73 h PHE 403 N 0.00 0.59 -0.68 -1.35 3.57 -0.29 -1.44 116.94 117.35 3a73 h PHE 403 Ca 0.00 -0.39 0.15 0.00 3.53 0.00 0.00 57.97 61.26 3a73 h PHE 403 Cb 0.22 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.81 3a73 h PHE 403 CO 0.00 1.26 0.06 1.96 -2.23 0.00 0.00 178.31 179.36 3a73 h GLN 404 N -0.24 0.16 -0.02 1.11 4.20 -0.72 -1.03 115.11 118.58 3a73 h GLN 404 Ca -0.12 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3a73 h GLN 404 Cb 1.53 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.28 3a73 h GLN 404 CO 0.14 0.11 0.01 -0.91 -0.67 0.00 0.00 178.83 177.51 3a73 h ASN 405 N 0.16 0.02 -0.79 1.46 -0.26 -1.30 0.47 115.58 115.35 3a73 h ASN 405 Ca 0.37 -0.04 0.16 0.00 -0.56 0.00 0.00 56.30 56.22 3a73 h ASN 405 Cb 0.61 -0.01 -0.15 0.00 -1.06 0.00 0.00 38.32 37.72 3a73 h ASN 405 CO -0.54 0.06 -0.18 0.00 -1.06 0.00 0.00 177.43 175.71 3a73 h ALA 406 N 0.96 0.56 -0.22 -0.83 0.00 -1.05 -1.46 119.26 117.21 3a73 h ALA 406 Ca 0.01 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3a73 h ALA 406 Cb 0.04 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3a73 h ALA 406 CO -0.00 -0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 178.63 3a73 h LEU 407 N 0.01 0.51 -0.93 0.00 3.38 -0.20 -1.65 115.31 116.42 3a73 h LEU 407 Ca 0.39 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3a73 h LEU 407 Cb 0.60 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 3a73 h LEU 407 CO -0.80 0.82 -0.45 0.18 0.09 0.00 0.00 178.44 178.28 3a73 n LEU 408 N -4.49 -0.79 -0.04 1.67 4.32 0.15 -0.04 117.00 117.78 3a73 n LEU 408 Ca -0.05 1.64 -0.15 0.00 -0.02 0.00 0.00 56.01 57.44 3a73 n LEU 408 Cb 0.36 -0.30 -0.08 0.00 -1.62 0.00 0.00 43.42 41.78 3a73 n LEU 408 CO 0.40 -1.41 0.45 -0.37 -1.22 0.00 0.00 177.39 175.24 3a73 h VAL 409 N 0.00 1.38 -0.98 4.08 -1.51 -0.99 -0.36 116.25 117.87 3a73 h VAL 409 Ca 0.24 -1.67 0.11 0.00 -1.23 0.00 0.00 66.70 64.15 3a73 h VAL 409 Cb 0.47 2.12 -0.13 0.00 -2.13 0.00 0.00 31.29 31.62 3a73 h VAL 409 CO -0.90 0.50 -0.50 -1.14 -1.23 0.00 0.00 177.57 174.30 3a73 n ARG 410 N -4.35 -0.35 0.09 5.19 0.63 -0.65 -1.66 116.66 115.57 3a73 n ARG 410 Ca -0.07 1.49 -0.04 0.00 -0.92 0.00 0.00 57.85 58.30 3a73 n ARG 410 Cb 0.52 -2.19 -0.01 0.00 0.45 0.00 0.00 32.46 31.23 3a73 n ARG 410 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3a73 h TYR 411 N 0.00 0.00 -0.01 -0.14 0.05 -0.41 -2.82 116.97 113.64 3a73 h TYR 411 Ca 0.23 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.90 3a73 h TYR 411 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3a73 h TYR 411 CO -0.94 0.84 -0.53 1.15 -1.05 0.00 0.00 178.16 177.62 3a73 h THR 412 N 0.00 1.38 0.00 -2.88 2.02 -0.73 -0.74 112.91 111.96 3a73 h THR 412 Ca -0.01 -1.82 -0.11 0.00 0.77 0.00 0.00 66.41 65.24 3a73 h THR 412 Cb 1.51 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 3a73 h THR 412 CO 0.11 0.52 -0.50 0.11 0.37 0.00 0.00 175.52 176.13 3a73 h LYS 413 N 0.03 0.00 0.14 6.66 1.57 -1.26 -2.21 116.57 121.50 3a73 h LYS 413 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 3a73 h LYS 413 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 3a73 h LYS 413 CO 0.07 0.50 -1.16 0.87 -0.57 0.00 0.00 179.45 179.16 3a73 h LYS 414 N 0.00 0.30 -2.08 3.15 1.57 -1.17 -0.78 116.57 117.56 3a73 h LYS 414 Ca -0.01 -0.52 -0.55 0.00 -1.87 0.00 0.00 60.65 57.71 3a73 h LYS 414 Cb 0.89 0.19 -0.40 0.00 0.08 0.00 0.00 32.23 32.99 3a73 h LYS 414 CO 0.07 1.25 -0.97 1.33 -0.57 0.00 0.00 179.45 180.55 3a73 n VAL 415 N -3.98 0.61 0.11 0.50 0.24 -0.33 -3.82 118.33 111.65 3a73 n VAL 415 Ca -0.19 -4.65 0.02 0.00 -2.04 0.00 0.00 64.34 57.47 3a73 n VAL 415 Cb 0.89 -1.38 0.07 0.00 -1.47 0.00 0.00 33.84 31.95 3a73 n VAL 415 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3a73 n PRO 416 N 0.71 0.00 0.00 7.34 -0.04 -0.83 -1.93 135.00 140.25 3a73 n PRO 416 Ca 0.25 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 3a73 n PRO 416 Cb 0.53 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 3a73 n PRO 416 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a73 n GLN 417 N -1.48 0.48 -1.72 0.54 0.00 -1.26 -4.83 117.38 109.11 3a73 n GLN 417 Ca 0.01 -0.33 -0.38 0.00 0.00 0.00 0.00 57.00 56.31 3a73 n GLN 417 Cb 0.04 -1.49 0.06 0.00 0.00 0.00 0.00 30.24 28.84 3a73 n GLN 417 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3a73 n VAL 418 N -0.98 4.53 -1.63 -0.39 0.31 -0.81 -4.97 118.33 114.40 3a73 n VAL 418 Ca 0.08 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.58 3a73 n VAL 418 Cb 0.36 -1.51 0.06 0.00 -0.91 0.00 0.00 33.84 31.85 3a73 n VAL 418 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3a73 s SER 419 N -1.23 4.82 0.10 4.52 1.04 -1.26 -4.86 113.70 116.82 3a73 s SER 419 Ca 0.79 2.06 -0.30 0.00 0.48 0.00 0.00 55.95 58.98 3a73 s SER 419 Cb -0.39 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.04 3a73 s SER 419 CO 0.43 -1.83 1.62 0.74 0.98 0.00 0.00 173.24 175.18 3a73 h THR 420 N -0.17 0.30 -0.70 2.02 2.02 -1.93 -1.38 112.91 113.07 3a73 h THR 420 Ca -0.47 0.00 0.14 0.00 0.77 0.00 0.00 66.41 66.86 3a73 h THR 420 Cb 1.26 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 67.86 3a73 h THR 420 CO 0.53 0.00 0.17 -0.65 0.37 0.00 0.00 175.52 175.94 3a73 h PRO 421 N -0.68 0.27 -0.47 6.66 0.11 -1.96 0.14 132.00 136.07 3a73 h PRO 421 Ca -0.01 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 3a73 h PRO 421 Cb 0.63 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 3a73 h PRO 421 CO -0.08 0.18 -0.00 1.15 -0.21 0.00 0.00 178.00 179.04 3a73 h THR 422 N 0.28 1.24 -0.16 -1.15 2.02 -1.85 -1.74 112.91 111.55 3a73 h THR 422 Ca 0.38 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 3a73 h THR 422 Cb 0.63 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3a73 h THR 422 CO -0.47 0.35 -0.39 -0.07 0.37 0.00 0.00 175.52 175.31 3a73 h LEU 423 N 0.72 0.36 -0.09 2.58 3.38 0.31 -2.56 115.31 120.02 3a73 h LEU 423 Ca 0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3a73 h LEU 423 Cb 0.44 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3a73 h LEU 423 CO 0.02 0.72 -0.13 0.58 0.09 0.00 0.00 178.44 179.72 3a73 h VAL 424 N 0.29 1.38 0.74 1.22 2.07 -0.73 -2.58 116.25 118.65 3a73 h VAL 424 Ca 0.03 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 3a73 h VAL 424 Cb 0.82 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3a73 h VAL 424 CO 0.07 0.38 -0.39 -0.08 0.02 0.00 0.00 177.57 177.57 3a73 h GLU 425 N -0.19 -1.00 -0.55 1.57 4.57 -1.23 -1.02 114.58 116.73 3a73 h GLU 425 Ca 0.01 0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 3a73 h GLU 425 Cb 0.68 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 3a73 h GLU 425 CO 0.03 -0.67 -0.01 -0.39 -1.18 0.00 0.00 179.01 176.79 3a73 h VAL 426 N -1.04 1.26 -0.48 0.32 -1.51 -1.57 0.71 116.25 113.95 3a73 h VAL 426 Ca -0.10 -1.11 0.03 0.00 -1.23 0.00 0.00 66.70 64.29 3a73 h VAL 426 Cb 0.81 0.85 -0.04 0.00 -2.13 0.00 0.00 31.29 30.78 3a73 h VAL 426 CO 0.14 0.40 0.25 0.28 -1.23 0.00 0.00 177.57 177.41 3a73 h SER 427 N 0.87 0.38 -0.90 4.19 0.02 -1.52 0.19 113.55 116.78 3a73 h SER 427 Ca 0.16 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3a73 h SER 427 Cb 0.53 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3a73 h SER 427 CO 0.03 0.27 0.59 0.03 -1.14 0.00 0.00 176.83 176.60 3a73 h ARG 428 N 0.50 1.20 -0.28 3.45 3.08 0.37 0.53 114.38 123.22 3a73 h ARG 428 Ca 0.20 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 3a73 h ARG 428 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3a73 h ARG 428 CO -0.13 0.80 -0.41 -0.91 -1.07 0.00 0.00 179.97 178.25 3a73 h ASN 429 N 1.23 0.74 -0.43 7.04 -0.26 0.13 -2.30 115.58 121.72 3a73 h ASN 429 Ca 0.33 -0.34 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 3a73 h ASN 429 Cb -0.12 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.91 3a73 h ASN 429 CO -0.07 1.06 0.19 -0.07 -1.06 0.00 0.00 177.43 177.48 3a73 h LEU 430 N 0.56 0.58 -1.11 1.61 3.38 -0.29 -0.83 115.31 119.21 3a73 h LEU 430 Ca 0.04 -0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.04 3a73 h LEU 430 Cb 0.95 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 3a73 h LEU 430 CO 0.09 0.56 0.61 1.23 0.09 0.00 0.00 178.44 181.02 3a73 h GLY 431 N 0.55 1.56 2.00 0.83 0.00 -0.67 0.56 103.07 107.90 3a73 h GLY 431 Ca 0.15 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3a73 h GLY 431 CO -0.02 0.02 -0.49 0.50 0.00 0.00 0.00 176.54 176.55 3a73 h LYS 432 N 0.77 0.00 -0.20 4.80 1.57 -0.79 -2.89 116.57 119.83 3a73 h LYS 432 Ca 0.53 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.33 3a73 h LYS 432 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3a73 h LYS 432 CO -0.30 0.49 0.04 -0.24 -0.57 0.00 0.00 179.45 178.87 3a73 h VAL 433 N 0.00 0.92 -0.91 0.50 3.04 0.15 -2.75 116.25 117.21 3a73 h VAL 433 Ca -0.00 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 3a73 h VAL 433 Cb 0.96 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 3a73 h VAL 433 CO 0.06 0.02 0.52 1.23 -1.01 0.00 0.00 177.57 178.40 3a73 h GLY 434 N 0.13 1.34 0.91 3.17 0.00 -1.23 -1.03 103.07 106.35 3a73 h GLY 434 Ca 0.09 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3a73 h GLY 434 CO -0.11 0.56 -0.13 0.23 0.00 0.00 0.00 176.54 177.09 3a73 h SER 435 N 1.26 -0.33 -0.32 0.19 0.87 -1.33 0.42 113.55 114.31 3a73 h SER 435 Ca 0.32 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 3a73 h SER 435 Cb -0.01 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3a73 h SER 435 CO -0.06 -0.21 0.08 0.50 -0.53 0.00 0.00 176.83 176.62 3a73 h LYS 436 N -0.32 0.51 0.07 2.24 1.63 -1.19 -3.36 116.57 116.15 3a73 h LYS 436 Ca -0.01 -0.12 -0.32 0.00 -0.85 0.00 0.00 60.65 59.35 3a73 h LYS 436 Cb 0.28 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 3a73 h LYS 436 CO 0.00 0.57 -1.76 0.00 -3.45 0.00 0.00 179.45 174.82 3a73 n LYS 439 N -1.12 2.19 -3.26 0.00 4.01 -1.26 -4.84 118.16 113.88 3a73 n LYS 439 Ca 0.11 -1.74 -0.31 0.00 -0.51 0.00 0.00 58.31 55.86 3a73 n LYS 439 Cb 0.09 -1.47 -0.04 0.00 -0.51 0.00 0.00 35.03 33.10 3a73 n LYS 439 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3a73 s HIS 440 N -1.93 3.44 1.22 2.13 3.76 -0.51 -5.10 115.29 118.30 3a73 s HIS 440 Ca 0.31 0.87 -0.14 0.00 -0.15 0.00 0.00 55.06 55.95 3a73 s HIS 440 Cb 0.20 -2.27 0.31 0.00 1.11 0.00 0.00 32.58 31.93 3a73 s HIS 440 CO 0.31 0.15 0.95 -2.30 -0.85 0.00 0.00 174.74 173.00 3a73 n PRO 441 N -0.61 -2.82 0.15 8.40 -0.02 -1.26 -4.70 135.00 134.14 3a73 n PRO 441 Ca 0.00 -0.80 0.02 0.00 -2.02 0.00 0.00 63.50 60.71 3a73 n PRO 441 Cb 0.53 -2.11 0.39 0.00 -0.02 0.00 0.00 33.50 32.29 3a73 n PRO 441 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3a73 h GLU 442 N -2.82 0.14 0.00 -0.52 4.81 -1.97 -2.35 114.58 111.86 3a73 h GLU 442 Ca -0.62 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 3a73 h GLU 442 Cb 1.34 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3a73 h GLU 442 CO 0.48 0.36 0.00 0.00 -0.73 0.00 0.00 179.01 179.12 3a73 h ALA 443 N 1.65 1.00 0.00 2.92 0.00 -1.92 -3.14 119.26 119.77 3a73 h ALA 443 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a73 h ALA 443 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3a73 h ALA 443 CO 0.03 0.00 -0.34 1.17 0.00 0.00 0.00 179.25 180.11 3a73 n LYS 444 N -3.06 4.72 -0.09 0.00 3.00 -0.91 -4.05 118.16 117.77 3a73 n LYS 444 Ca -0.01 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.16 3a73 n LYS 444 Cb 0.18 -0.81 -0.05 0.00 0.00 0.00 0.00 35.03 34.35 3a73 n LYS 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a73 h ARG 445 N 0.00 0.62 -0.57 1.64 3.08 -1.44 -3.06 114.38 114.66 3a73 h ARG 445 Ca 0.00 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 3a73 h ARG 445 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3a73 h ARG 445 CO 0.00 0.92 0.24 1.98 -1.07 0.00 0.00 179.97 182.04 3a73 h MET 446 N 0.34 0.85 -0.39 0.04 4.05 -1.77 0.21 114.93 118.26 3a73 h MET 446 Ca 0.04 -0.15 -0.12 0.00 -0.28 0.00 0.00 59.70 59.19 3a73 h MET 446 Cb 0.80 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 3a73 h MET 446 CO 0.06 0.72 -0.26 -1.35 0.23 0.00 0.00 176.91 176.32 3a73 h PRO 447 N 0.78 0.79 -0.35 0.39 0.11 -1.78 0.19 132.00 132.13 3a73 h PRO 447 Ca 0.19 -0.34 0.01 0.00 0.11 0.00 0.00 66.00 65.98 3a73 h PRO 447 Cb 0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3a73 h PRO 447 CO -0.02 0.96 0.21 0.00 -0.21 0.00 0.00 178.00 178.95 3a73 h ALA 449 N 1.15 0.30 -0.64 0.00 0.00 -0.39 -2.55 119.26 117.13 3a73 h ALA 449 Ca 0.14 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3a73 h ALA 449 Cb -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.58 3a73 h ALA 449 CO -0.06 -0.06 -0.08 1.49 0.00 0.00 0.00 179.25 180.54 3a73 h GLU 450 N 0.19 0.05 -0.25 0.00 4.81 -0.50 -0.74 114.58 118.14 3a73 h GLU 450 Ca 0.07 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3a73 h GLU 450 Cb 0.26 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3a73 h GLU 450 CO -0.00 0.03 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.72 3a73 h ASP 451 N 0.05 0.56 -0.00 1.04 5.19 -0.80 -1.74 116.42 120.72 3a73 h ASP 451 Ca 0.32 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 3a73 h ASP 451 Cb 0.51 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3a73 h ASP 451 CO -0.61 0.87 -0.03 1.88 -3.12 0.00 0.00 179.24 178.24 3a73 h TYR 452 N 0.26 0.03 -0.86 4.55 0.05 -1.39 -3.30 116.97 116.32 3a73 h TYR 452 Ca 0.05 -0.02 0.22 0.00 0.05 0.00 0.00 58.73 59.03 3a73 h TYR 452 Cb 0.68 -0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.28 3a73 h TYR 452 CO 0.07 0.77 0.22 -0.07 -1.05 0.00 0.00 178.16 178.09 3a73 h LEU 453 N -0.72 -0.01 -1.86 3.88 4.07 -1.21 0.30 115.31 119.76 3a73 h LEU 453 Ca -0.00 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 3a73 h LEU 453 Cb 0.78 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 3a73 h LEU 453 CO 0.01 -0.14 -0.06 0.77 -1.08 0.00 0.00 178.44 177.94 3a73 h SER 454 N 0.22 0.00 0.00 -0.43 4.64 -1.41 0.75 113.55 117.32 3a73 h SER 454 Ca 0.53 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.83 3a73 h SER 454 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3a73 h SER 454 CO -0.63 0.06 -0.14 0.58 -0.87 0.00 0.00 176.83 175.83 3a73 h VAL 455 N 0.00 1.01 -0.29 0.95 2.07 -0.60 -0.44 116.25 118.95 3a73 h VAL 455 Ca -0.00 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 65.76 3a73 h VAL 455 Cb 0.39 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 3a73 h VAL 455 CO 0.01 0.34 -0.54 0.58 0.02 0.00 0.00 177.57 177.99 3a73 h VAL 456 N -1.00 0.02 0.07 2.57 2.07 -0.71 -2.02 116.25 117.25 3a73 h VAL 456 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3a73 h VAL 456 Cb 0.66 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3a73 h VAL 456 CO -0.02 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.19 3a73 h LEU 457 N -0.47 -0.92 -0.96 2.57 3.38 0.43 -1.76 115.31 117.58 3a73 h LEU 457 Ca 0.06 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.40 3a73 h LEU 457 Cb 0.63 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 3a73 h LEU 457 CO -0.53 -0.39 0.49 -1.13 0.09 0.00 0.00 178.44 176.97 3a73 h ASN 458 N -0.51 0.47 1.15 -0.43 -1.24 -0.92 -0.65 115.58 113.45 3a73 h ASN 458 Ca 0.04 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.21 3a73 h ASN 458 Cb 0.56 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3a73 h ASN 458 CO -0.22 -0.01 -0.06 1.67 -1.29 0.00 0.00 177.43 177.53 3a73 n GLN 459 N -5.01 0.12 -0.08 6.67 7.27 -0.74 -1.10 117.38 124.52 3a73 n GLN 459 Ca 0.26 0.09 -0.19 0.00 0.07 0.00 0.00 57.00 57.22 3a73 n GLN 459 Cb 0.77 -1.63 -0.12 0.00 2.41 0.00 0.00 30.24 31.67 3a73 n GLN 459 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3a73 h LEU 460 N 0.00 0.06 -0.92 1.69 6.46 -0.45 -3.32 115.31 118.82 3a73 h LEU 460 Ca 0.00 -0.71 -0.04 0.00 -0.12 0.00 0.00 57.88 57.00 3a73 h LEU 460 Cb 0.61 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 3a73 h LEU 460 CO 0.00 1.37 0.27 0.00 -0.62 0.00 0.00 178.44 179.46 3a73 h VAL 462 N 1.03 0.65 -0.58 0.00 2.07 -1.30 -0.35 116.25 117.77 3a73 h VAL 462 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 3a73 h VAL 462 Cb 0.22 0.65 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 3a73 h VAL 462 CO -0.02 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.38 3a73 h LEU 463 N -0.42 -0.49 -0.74 2.57 3.38 -1.58 -2.27 115.31 115.75 3a73 h LEU 463 Ca -0.03 0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3a73 h LEU 463 Cb 0.35 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3a73 h LEU 463 CO 0.03 -0.18 -0.53 -0.74 0.09 0.00 0.00 178.44 177.11 3a73 h HIS 464 N 0.02 0.33 -0.10 1.13 2.76 -0.92 -2.77 115.15 115.59 3a73 h HIS 464 Ca 0.28 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3a73 h HIS 464 Cb 0.44 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.27 3a73 h HIS 464 CO -0.46 0.74 -0.47 1.49 -1.30 0.00 0.00 177.93 177.93 3a73 h GLU 465 N 0.21 -0.53 0.65 5.26 4.81 -0.45 0.29 114.58 124.81 3a73 h GLU 465 Ca 0.00 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3a73 h GLU 465 Cb 1.00 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.51 3a73 h GLU 465 CO 0.08 -0.36 -0.31 0.87 -0.73 0.00 0.00 179.01 178.57 3a73 h LYS 466 N -0.56 -0.84 -3.18 1.92 1.57 -1.57 -3.35 116.57 110.57 3a73 h LYS 466 Ca 0.05 0.06 -0.81 0.00 -1.87 0.00 0.00 60.65 58.08 3a73 h LYS 466 Cb 0.66 0.19 -0.28 0.00 0.08 0.00 0.00 32.23 32.89 3a73 h LYS 466 CO -0.40 -0.54 0.67 2.41 -0.57 0.00 0.00 179.45 181.02 3a73 n THR 467 N -5.37 5.04 -2.35 -0.16 -1.04 -1.05 -5.04 114.28 104.31 3a73 n THR 467 Ca -0.11 -5.71 -0.35 0.00 -2.04 0.00 0.00 64.05 55.84 3a73 n THR 467 Cb 0.36 -2.28 -0.01 0.00 -1.82 0.00 0.00 70.33 66.58 3a73 n THR 467 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3a73 s PRO 468 N -2.18 3.51 0.00 -2.82 0.02 0.08 -4.54 135.00 129.07 3a73 s PRO 468 Ca 0.31 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.84 3a73 s PRO 468 Cb -0.01 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3a73 s PRO 468 CO 0.03 -0.70 0.00 1.33 -0.33 0.00 0.00 177.00 177.33 3a73 n VAL 469 N -1.20 0.00 -3.54 3.83 0.24 -1.26 -5.09 118.33 111.31 3a73 n VAL 469 Ca 0.11 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.24 3a73 n VAL 469 Cb 0.52 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.43 3a73 n VAL 469 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3a73 s SER 470 N 0.00 0.99 0.39 -1.34 0.15 -1.26 -4.86 113.70 107.78 3a73 s SER 470 Ca 0.00 0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.90 3a73 s SER 470 Cb 0.00 0.50 1.14 0.00 -1.71 0.00 0.00 66.02 65.95 3a73 s SER 470 CO 0.00 -0.30 1.73 -2.24 1.20 0.00 0.00 173.24 173.64 3a73 h ASP 471 N 8.30 0.43 0.76 5.45 2.03 -1.98 -0.37 116.42 131.04 3a73 h ASP 471 Ca -0.16 0.10 -0.16 0.00 -0.73 0.00 0.00 57.03 56.08 3a73 h ASP 471 Cb 1.14 0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.66 3a73 h ASP 471 CO 0.23 0.02 -0.78 0.03 -1.03 0.00 0.00 179.24 177.71 3a73 h ARG 472 N 0.35 0.01 -0.27 4.15 3.08 -1.99 0.11 114.38 119.81 3a73 h ARG 472 Ca 0.65 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.53 3a73 h ARG 472 Cb 1.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 3a73 h ARG 472 CO -0.35 0.79 -0.46 0.28 -1.07 0.00 0.00 179.97 179.15 3a73 h VAL 473 N 0.01 1.30 -0.42 2.04 2.07 -1.72 -1.71 116.25 117.81 3a73 h VAL 473 Ca -0.01 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3a73 h VAL 473 Cb 1.38 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3a73 h VAL 473 CO 0.10 0.53 0.28 0.74 0.02 0.00 0.00 177.57 179.24 3a73 h THR 474 N 0.56 1.09 0.10 2.57 2.02 -0.63 0.16 112.91 118.78 3a73 h THR 474 Ca 0.03 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3a73 h THR 474 Cb 1.01 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3a73 h THR 474 CO 0.10 0.10 -0.05 0.50 0.37 0.00 0.00 175.52 176.54 3a73 h LYS 475 N 0.54 -0.13 -0.34 6.66 1.63 -0.35 -2.72 116.57 121.87 3a73 h LYS 475 Ca 0.16 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3a73 h LYS 475 Cb -0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3a73 h LYS 475 CO -0.04 0.16 0.20 0.00 -3.45 0.00 0.00 179.45 176.33 3a73 n THR 478 N -3.30 0.00 -0.69 0.00 -2.24 -1.01 -4.98 114.28 102.06 3a73 n THR 478 Ca -0.03 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 3a73 n THR 478 Cb 0.10 1.06 0.16 0.00 -2.10 0.00 0.00 70.33 69.55 3a73 n THR 478 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a73 n GLU 479 N -0.74 -1.25 -1.55 -0.78 -0.58 -0.33 -4.97 120.64 110.45 3a73 n GLU 479 Ca 0.03 -0.34 -0.38 0.00 -0.42 0.00 0.00 57.16 56.06 3a73 n GLU 479 Cb 0.17 -1.81 0.05 0.00 -0.57 0.00 0.00 31.44 29.28 3a73 n GLU 479 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a73 n SER 480 N -1.95 0.09 0.17 1.62 3.41 -1.26 -4.82 113.62 110.88 3a73 n SER 480 Ca 0.03 0.76 0.13 0.00 -0.26 0.00 0.00 58.87 59.53 3a73 n SER 480 Cb 0.59 -1.32 0.57 0.00 -0.26 0.00 0.00 64.21 63.79 3a73 n SER 480 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3a73 h LEU 481 N 0.30 0.00 0.00 1.04 5.85 -1.94 -1.33 115.31 119.23 3a73 h LEU 481 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3a73 h LEU 481 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3a73 h LEU 481 CO 0.49 0.00 -0.72 1.33 -0.34 0.00 0.00 178.44 179.19 3a73 n VAL 482 N -2.39 0.12 0.89 1.05 0.24 -1.26 -3.69 118.33 113.28 3a73 n VAL 482 Ca 0.01 -0.12 0.09 0.00 -2.04 0.00 0.00 64.34 62.28 3a73 n VAL 482 Cb 0.19 0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 3a73 n VAL 482 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3a73 n ASN 483 N -1.76 1.57 -0.21 -1.34 3.02 -0.58 -4.73 115.26 111.23 3a73 n ASN 483 Ca 0.04 -1.28 -0.09 0.00 -0.03 0.00 0.00 54.58 53.21 3a73 n ASN 483 Cb 0.38 0.64 0.02 0.00 -0.61 0.00 0.00 39.78 40.22 3a73 n ASN 483 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3a73 h ARG 484 N 1.51 1.06 0.03 3.52 2.43 -1.43 0.15 114.38 121.64 3a73 h ARG 484 Ca 0.00 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 3a73 h ARG 484 Cb 0.60 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3a73 h ARG 484 CO 0.00 1.04 -0.47 -0.09 -1.51 0.00 0.00 179.97 178.94 3a73 h ARG 485 N 0.95 0.27 -0.84 0.20 1.12 -1.85 -1.93 114.38 112.32 3a73 h ARG 485 Ca 0.17 -0.33 0.17 0.00 -1.11 0.00 0.00 59.98 58.88 3a73 h ARG 485 Cb 0.56 0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 30.57 3a73 h ARG 485 CO 0.03 1.06 0.55 -1.35 -3.11 0.00 0.00 179.97 177.15 3a73 h PRO 486 N -0.36 0.44 -0.38 0.20 0.11 -1.87 0.15 132.00 130.29 3a73 h PRO 486 Ca -0.07 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3a73 h PRO 486 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3a73 h PRO 486 CO 0.09 0.29 0.03 0.00 -0.21 0.00 0.00 178.00 178.20 3a73 h PHE 488 N 0.48 0.00 0.00 0.00 -1.00 -0.48 -2.20 116.94 113.74 3a73 h PHE 488 Ca 0.11 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.86 3a73 h PHE 488 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 3a73 h PHE 488 CO 0.03 0.44 -0.16 0.77 -1.61 0.00 0.00 178.31 177.78 3a73 h SER 489 N 0.00 0.00 -0.05 2.17 0.02 -0.29 -2.97 113.55 112.43 3a73 h SER 489 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3a73 h SER 489 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3a73 h SER 489 CO 0.06 0.16 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 3a73 n ALA 490 N -2.15 2.54 -1.65 3.77 0.00 -0.49 -4.91 120.51 117.61 3a73 n ALA 490 Ca 0.02 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.49 3a73 n ALA 490 Cb 0.51 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 3a73 n ALA 490 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a73 n LEU 491 N 0.52 2.84 -4.80 0.00 7.99 -1.12 -4.99 117.00 117.43 3a73 n LEU 491 Ca 0.18 1.18 -0.22 0.00 -0.01 0.00 0.00 56.01 57.14 3a73 n LEU 491 Cb 0.42 -1.40 -0.05 0.00 -0.11 0.00 0.00 43.42 42.28 3a73 n LEU 491 CO 0.16 -0.80 -0.11 -1.61 -1.51 0.00 0.00 177.39 173.52 3a73 s GLU 492 N -1.42 2.46 0.30 3.23 0.41 -1.26 -5.06 118.70 117.36 3a73 s GLU 492 Ca 0.60 -1.55 -0.30 0.00 -0.41 0.00 0.00 54.97 53.30 3a73 s GLU 492 Cb -0.64 -2.26 -0.12 0.00 -1.78 0.00 0.00 34.13 29.34 3a73 s GLU 492 CO 0.59 -0.03 1.60 0.28 -0.49 0.00 0.00 175.26 177.21 3a73 n VAL 493 N -1.33 1.05 -2.61 2.63 0.31 -1.26 -4.58 118.33 112.53 3a73 n VAL 493 Ca -0.00 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.65 3a73 n VAL 493 Cb 0.62 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 3a73 n VAL 493 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a73 s ASP 494 N 0.49 6.21 0.13 4.52 2.15 -0.30 -4.80 116.67 125.07 3a73 s ASP 494 Ca 0.64 -0.68 0.22 0.00 0.43 0.00 0.00 52.55 53.16 3a73 s ASP 494 Cb -0.49 -2.54 0.89 0.00 -0.30 0.00 0.00 42.92 40.48 3a73 s ASP 494 CO 0.49 -1.72 1.69 -0.62 -0.17 0.00 0.00 175.17 174.83 3a73 n GLU 495 N 9.00 0.12 -0.07 4.34 1.02 -1.26 -2.56 120.64 131.23 3a73 n GLU 495 Ca 0.06 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 3a73 n GLU 495 Cb 0.49 -1.69 0.40 0.00 -0.02 0.00 0.00 31.44 30.61 3a73 n GLU 495 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3a73 n THR 496 N -1.91 0.18 -2.54 2.62 -2.24 -1.26 -4.89 114.28 104.24 3a73 n THR 496 Ca 0.04 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3a73 n THR 496 Cb 0.27 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3a73 n THR 496 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3a73 s TYR 497 N -1.82 3.26 -0.40 4.78 6.04 -1.06 -5.00 117.35 123.16 3a73 s TYR 497 Ca 0.33 1.33 -0.29 0.00 0.04 0.00 0.00 57.07 58.48 3a73 s TYR 497 Cb 0.18 -3.35 0.02 0.00 -1.04 0.00 0.00 41.96 37.77 3a73 s TYR 497 CO 0.27 -0.97 1.09 0.08 -1.54 0.00 0.00 175.55 174.48 3a73 s VAL 498 N 2.34 4.37 -0.40 3.14 1.01 -1.26 -4.96 120.40 124.65 3a73 s VAL 498 Ca 0.53 1.45 -0.41 0.00 0.00 0.00 0.00 61.98 63.55 3a73 s VAL 498 Cb -0.22 -4.50 -0.16 0.00 0.00 0.00 0.00 36.38 31.50 3a73 s VAL 498 CO 0.19 -0.74 2.00 -2.65 0.00 0.00 0.00 175.10 173.90 3a73 n PRO 499 N 7.32 0.62 -1.68 2.72 -0.02 -1.26 -4.81 135.00 137.89 3a73 n PRO 499 Ca 0.12 0.19 -0.55 0.00 -2.02 0.00 0.00 63.50 61.24 3a73 n PRO 499 Cb 0.48 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 3a73 n PRO 499 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3a73 n LYS 500 N 6.79 1.24 -1.58 -0.52 3.00 -0.68 -4.88 118.16 121.54 3a73 n LYS 500 Ca 0.41 0.45 -0.46 0.00 -0.00 0.00 0.00 58.31 58.71 3a73 n LYS 500 Cb 0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 35.03 32.95 3a73 n LYS 500 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3a73 n GLU 501 N 4.68 1.26 -1.95 1.64 4.07 -1.26 -4.36 120.64 124.72 3a73 n GLU 501 Ca 0.24 0.45 -0.42 0.00 -0.06 0.00 0.00 57.16 57.36 3a73 n GLU 501 Cb 0.16 -1.85 -0.03 0.00 -0.06 0.00 0.00 31.44 29.66 3a73 n GLU 501 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 3a73 s PHE 502 N -0.74 1.99 -0.10 4.31 5.99 -1.26 -4.98 117.98 123.19 3a73 s PHE 502 Ca 0.64 0.15 -0.02 0.00 0.00 0.00 0.00 56.93 57.69 3a73 s PHE 502 Cb -0.75 -3.96 -0.03 0.00 0.00 0.00 0.00 43.02 38.27 3a73 s PHE 502 CO 0.57 -4.05 0.00 1.21 -0.00 0.00 0.00 175.22 172.96 3a73 s ASN 503 N 3.27 5.23 0.08 6.13 3.84 -1.26 -5.04 114.94 127.19 3a73 s ASN 503 Ca 0.75 0.12 -0.16 0.00 0.21 0.00 0.00 52.86 53.78 3a73 s ASN 503 Cb -0.36 -1.55 -0.11 0.00 -0.55 0.00 0.00 41.25 38.68 3a73 s ASN 503 CO 0.32 0.34 1.38 0.00 -2.79 0.00 0.00 177.10 176.34 3a73 h ALA 504 N 5.43 0.36 -0.20 1.71 0.00 -1.97 -3.25 119.26 121.33 3a73 h ALA 504 Ca -0.48 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 53.86 3a73 h ALA 504 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3a73 h ALA 504 CO 0.56 0.39 -0.51 0.93 0.00 0.00 0.00 179.25 180.62 3a73 h GLU 505 N 0.34 0.57 -0.89 0.00 4.39 -1.96 -3.23 114.58 113.80 3a73 h GLU 505 Ca 0.03 -0.34 0.24 0.00 0.34 0.00 0.00 59.36 59.62 3a73 h GLU 505 Cb 0.90 0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.43 3a73 h GLU 505 CO 0.08 0.95 0.16 1.15 -1.16 0.00 0.00 179.01 180.18 3a73 h THR 506 N 0.45 0.24 -1.77 1.13 2.02 -2.00 0.47 112.91 113.44 3a73 h THR 506 Ca 0.02 -0.05 -0.73 0.00 0.77 0.00 0.00 66.41 66.42 3a73 h THR 506 Cb 1.05 0.09 -0.29 0.00 -1.74 0.00 0.00 68.15 67.26 3a73 h THR 506 CO 0.10 0.02 0.83 0.49 0.37 0.00 0.00 175.52 177.34 3a73 n PHE 507 N -5.31 3.06 -4.38 3.16 3.01 -1.22 -4.91 117.46 110.87 3a73 n PHE 507 Ca 0.21 -2.51 -0.34 0.00 1.01 0.00 0.00 57.45 55.82 3a73 n PHE 507 Cb 0.68 -1.11 -0.14 0.00 -0.01 0.00 0.00 39.48 38.90 3a73 n PHE 507 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3a73 s THR 508 N -5.07 3.13 0.33 4.37 -1.32 0.16 -5.00 115.64 112.24 3a73 s THR 508 Ca 0.54 -0.61 0.10 0.00 -1.21 0.00 0.00 61.69 60.51 3a73 s THR 508 Cb 0.45 -2.36 -0.06 0.00 -1.51 0.00 0.00 72.50 69.02 3a73 s THR 508 CO -0.32 0.49 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.10 3a73 s PHE 509 N 0.85 2.39 0.03 9.09 0.40 -1.26 -5.05 117.98 124.43 3a73 s PHE 509 Ca -0.03 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 3a73 s PHE 509 Cb -0.15 -1.29 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 3a73 s PHE 509 CO 0.01 0.61 -0.05 -1.01 0.70 0.00 0.00 175.22 175.48 3a73 s HIS 510 N -2.58 0.48 0.45 0.36 3.76 -1.26 -4.64 115.29 111.86 3a73 s HIS 510 Ca 0.32 -0.57 0.27 0.00 -0.15 0.00 0.00 55.06 54.93 3a73 s HIS 510 Cb 0.00 -0.31 1.31 0.00 1.11 0.00 0.00 32.58 34.70 3a73 s HIS 510 CO 0.16 -0.15 1.74 0.00 -0.85 0.00 0.00 174.74 175.64 3a73 h ALA 511 N 4.42 2.62 -0.65 -1.40 0.00 -1.97 0.60 119.26 122.89 3a73 h ALA 511 Ca -0.34 0.04 0.19 0.00 0.00 0.00 0.00 54.91 54.80 3a73 h ALA 511 Cb 1.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3a73 h ALA 511 CO 0.43 -1.06 0.67 0.38 0.00 0.00 0.00 179.25 179.67 3a73 h ASP 512 N 0.21 0.00 0.17 0.00 2.03 -1.98 0.78 116.42 117.63 3a73 h ASP 512 Ca 0.64 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.87 3a73 h ASP 512 Cb 2.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.48 3a73 h ASP 512 CO -0.23 0.00 -0.26 -0.29 -1.03 0.00 0.00 179.24 177.43 3a73 h ILE 513 N 0.00 1.22 -0.05 4.15 2.10 -0.19 0.41 117.51 125.15 3a73 h ILE 513 Ca 0.31 -1.05 0.02 0.00 1.08 0.00 0.00 64.86 65.22 3a73 h ILE 513 Cb 1.64 1.44 -0.00 0.00 -1.09 0.00 0.00 36.82 38.82 3a73 h ILE 513 CO -0.00 0.31 0.12 0.00 -1.08 0.00 0.00 178.15 177.50 3a73 n THR 515 N -3.40 1.82 -3.88 0.00 -2.24 0.14 -4.91 114.28 101.82 3a73 n THR 515 Ca -0.01 -1.19 -0.21 0.00 -2.27 0.00 0.00 64.05 60.37 3a73 n THR 515 Cb 0.20 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3a73 n THR 515 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a73 s LEU 516 N -1.82 3.75 0.98 3.22 2.01 -1.22 -5.08 118.68 120.51 3a73 s LEU 516 Ca 0.52 -0.35 -0.12 0.00 0.01 0.00 0.00 54.13 54.19 3a73 s LEU 516 Cb 0.33 -2.35 0.18 0.00 0.01 0.00 0.00 46.19 44.36 3a73 s LEU 516 CO 0.26 -0.25 1.09 -0.94 1.01 0.00 0.00 176.35 177.52 3a73 s SER 517 N -3.96 2.74 0.08 2.29 1.04 -1.26 -4.73 113.70 109.90 3a73 s SER 517 Ca 0.38 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.94 3a73 s SER 517 Cb -0.07 -2.04 -0.09 0.00 0.10 0.00 0.00 66.02 63.92 3a73 s SER 517 CO 0.27 -3.08 1.39 -0.08 0.98 0.00 0.00 173.24 172.71 3a73 h GLU 518 N -1.86 -0.38 -0.27 4.02 4.22 -1.99 -0.90 114.58 117.43 3a73 h GLU 518 Ca -0.53 0.03 0.02 0.00 0.08 0.00 0.00 59.36 58.96 3a73 h GLU 518 Cb 1.31 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 3a73 h GLU 518 CO 0.55 -0.25 -0.16 1.17 -2.18 0.00 0.00 179.01 178.14 3a73 n LYS 519 N -4.57 -0.12 -0.07 1.92 4.81 -1.26 -0.90 118.16 117.97 3a73 n LYS 519 Ca -0.04 0.85 -0.07 0.00 -0.87 0.00 0.00 58.31 58.18 3a73 n LYS 519 Cb 0.26 -1.27 -0.01 0.00 0.02 0.00 0.00 35.03 34.04 3a73 n LYS 519 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3a73 h GLU 520 N 0.00 -0.07 -0.82 1.64 5.08 -1.85 -1.40 114.58 117.16 3a73 h GLU 520 Ca 0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3a73 h GLU 520 Cb 0.11 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3a73 h GLU 520 CO -0.25 -0.05 0.34 -0.09 -1.00 0.00 0.00 179.01 177.97 3a73 h ARG 521 N -0.07 1.21 -0.42 2.33 2.43 0.29 -1.64 114.38 118.51 3a73 h ARG 521 Ca 0.14 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3a73 h ARG 521 Cb 0.29 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3a73 h ARG 521 CO -0.33 0.96 0.02 -0.56 -1.51 0.00 0.00 179.97 178.56 3a73 h GLN 522 N 1.18 0.72 -0.48 0.20 3.07 -0.54 -0.32 115.11 118.95 3a73 h GLN 522 Ca 0.27 -0.22 0.09 0.00 0.09 0.00 0.00 58.65 58.88 3a73 h GLN 522 Cb 0.19 -0.07 -0.07 0.00 0.08 0.00 0.00 27.48 27.61 3a73 h GLN 522 CO -0.03 0.79 0.04 0.82 0.09 0.00 0.00 178.83 180.55 3a73 h ILE 523 N 0.56 0.67 0.00 1.86 2.04 -0.83 0.97 117.51 122.79 3a73 h ILE 523 Ca 0.12 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3a73 h ILE 523 Cb 0.45 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3a73 h ILE 523 CO 0.02 0.03 -0.50 0.50 0.00 0.00 0.00 178.15 178.20 3a73 h LYS 524 N 0.16 0.00 0.15 2.37 3.64 -1.20 0.19 116.57 121.87 3a73 h LYS 524 Ca 0.24 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3a73 h LYS 524 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3a73 h LYS 524 CO -0.36 0.50 -0.07 0.87 -2.27 0.00 0.00 179.45 178.11 3a73 h LYS 525 N 0.00 -0.19 -0.96 1.90 1.57 -0.22 -2.85 116.57 115.81 3a73 h LYS 525 Ca -0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3a73 h LYS 525 Cb 0.89 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 3a73 h LYS 525 CO 0.06 0.11 0.63 1.96 -0.57 0.00 0.00 179.45 181.64 3a73 h GLN 526 N -0.49 1.20 -0.63 3.15 4.20 0.12 -1.74 115.11 120.91 3a73 h GLN 526 Ca -0.02 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.70 3a73 h GLN 526 Cb 0.38 -0.27 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 3a73 h GLN 526 CO 0.03 0.79 0.28 1.15 -0.67 0.00 0.00 178.83 180.42 3a73 h THR 527 N 1.23 0.82 0.00 -0.54 2.02 -0.70 -0.52 112.91 115.22 3a73 h THR 527 Ca 0.38 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3a73 h THR 527 Cb -0.02 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3a73 h THR 527 CO -0.11 0.09 -0.46 0.00 0.37 0.00 0.00 175.52 175.41 3a73 h ALA 528 N 1.40 0.80 -0.26 6.16 0.00 -1.13 -2.53 119.26 123.69 3a73 h ALA 528 Ca 0.31 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3a73 h ALA 528 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a73 h ALA 528 CO -0.27 0.57 -0.49 1.25 0.00 0.00 0.00 179.25 180.31 3a73 h LEU 529 N 0.00 0.78 0.64 0.00 5.85 -0.88 0.16 115.31 121.86 3a73 h LEU 529 Ca -0.00 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3a73 h LEU 529 Cb 1.18 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3a73 h LEU 529 CO 0.06 1.14 -0.50 0.58 -0.34 0.00 0.00 178.44 179.37 3a73 h VAL 530 N 0.57 0.00 -0.99 1.05 2.07 -0.89 -1.40 116.25 116.66 3a73 h VAL 530 Ca 0.03 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.81 3a73 h VAL 530 Cb 1.05 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.69 3a73 h VAL 530 CO 0.10 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 177.92 3a73 h GLU 531 N -1.10 0.47 -0.11 1.57 4.39 -1.43 0.35 114.58 118.72 3a73 h GLU 531 Ca -0.08 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3a73 h GLU 531 Cb 0.92 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3a73 h GLU 531 CO 0.01 0.31 -0.17 1.25 -1.16 0.00 0.00 179.01 179.26 3a73 h LEU 532 N 0.48 0.17 0.03 1.33 5.85 -0.08 -1.99 115.31 121.10 3a73 h LEU 532 Ca 0.66 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 59.16 3a73 h LEU 532 Cb 1.32 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.33 3a73 h LEU 532 CO -0.52 0.35 -0.72 0.58 -0.34 0.00 0.00 178.44 177.79 3a73 h VAL 533 N 0.17 1.42 -0.26 1.05 2.07 0.67 -1.09 116.25 120.27 3a73 h VAL 533 Ca 0.03 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.32 3a73 h VAL 533 Cb 0.40 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3a73 h VAL 533 CO 0.03 0.64 0.00 0.11 0.02 0.00 0.00 177.57 178.37 3a73 h LYS 534 N -0.07 0.39 0.00 1.57 1.57 -0.84 -1.01 116.57 118.19 3a73 h LYS 534 Ca -0.10 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3a73 h LYS 534 Cb 1.45 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 3a73 h LYS 534 CO 0.14 0.42 -0.71 1.25 -0.57 0.00 0.00 179.45 179.98 3a73 h HIS 535 N 0.38 0.00 -2.07 -1.35 2.76 -1.38 -1.81 115.15 111.69 3a73 h HIS 535 Ca 0.09 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.69 3a73 h HIS 535 Cb 0.26 0.00 -0.39 0.00 1.55 0.00 0.00 27.41 28.83 3a73 h HIS 535 CO 0.01 0.61 -1.08 1.63 -1.30 0.00 0.00 177.93 177.81 3a73 n LYS 536 N -3.21 0.66 0.24 5.26 4.76 -0.42 -4.56 118.16 120.88 3a73 n LYS 536 Ca 0.00 -3.24 0.16 0.00 -2.87 0.00 0.00 58.31 52.36 3a73 n LYS 536 Cb 0.79 -1.31 0.87 0.00 -1.84 0.00 0.00 35.03 33.53 3a73 n LYS 536 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3a73 h PRO 537 N 4.29 0.00 -0.04 1.97 0.13 -1.45 -1.17 132.00 135.73 3a73 h PRO 537 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a73 h PRO 537 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3a73 h PRO 537 CO 0.45 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.58 3a73 n LYS 538 N -2.61 1.29 -1.62 0.86 0.00 -1.26 -4.96 118.16 109.86 3a73 n LYS 538 Ca -0.02 -1.49 -0.63 0.00 -0.00 0.00 0.00 58.31 56.17 3a73 n LYS 538 Cb 0.05 -1.31 -0.09 0.00 -0.00 0.00 0.00 35.03 33.68 3a73 n LYS 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a73 n ALA 539 N 0.91 -2.54 -0.95 0.58 0.00 -0.44 -4.89 120.51 113.17 3a73 n ALA 539 Ca 0.10 0.55 -0.33 0.00 0.00 0.00 0.00 53.44 53.76 3a73 n ALA 539 Cb 0.41 -1.83 0.13 0.00 0.00 0.00 0.00 19.45 18.16 3a73 n ALA 539 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a73 n THR 540 N 2.70 1.16 -0.31 0.00 -2.24 -1.26 -4.78 114.28 109.56 3a73 n THR 540 Ca 0.25 -0.16 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 3a73 n THR 540 Cb 0.01 -1.03 0.23 0.00 -2.10 0.00 0.00 70.33 67.44 3a73 n THR 540 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3a73 h LYS 541 N -1.24 0.70 -0.24 -0.78 3.11 -1.99 -0.39 116.57 115.73 3a73 h LYS 541 Ca -0.45 -0.04 0.03 0.00 -2.81 0.00 0.00 60.65 57.38 3a73 h LYS 541 Cb 1.29 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 32.34 3a73 h LYS 541 CO 0.43 0.46 0.07 0.93 -2.81 0.00 0.00 179.45 178.53 3a73 h GLU 542 N 0.72 0.17 -0.44 1.90 4.39 -2.00 0.54 114.58 119.87 3a73 h GLU 542 Ca 0.47 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 60.06 3a73 h GLU 542 Cb 0.61 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3a73 h GLU 542 CO -0.33 0.11 -0.13 1.96 -1.16 0.00 0.00 179.01 179.46 3a73 h GLN 543 N 0.18 0.81 -0.15 2.33 4.20 -1.85 -3.20 115.11 117.42 3a73 h GLN 543 Ca 0.11 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3a73 h GLN 543 Cb 0.09 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3a73 h GLN 543 CO -0.12 0.89 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.77 3a73 h LEU 544 N 0.72 0.35 -0.70 1.46 3.38 -0.68 -2.89 115.31 116.95 3a73 h LEU 544 Ca 0.12 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.72 3a73 h LEU 544 Cb 0.63 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 3a73 h LEU 544 CO 0.04 0.71 -0.44 0.50 0.09 0.00 0.00 178.44 179.34 3a73 h LYS 545 N -0.01 -0.03 0.00 1.13 3.11 -0.98 0.11 116.57 119.91 3a73 h LYS 545 Ca 0.03 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3a73 h LYS 545 Cb 0.59 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 3a73 h LYS 545 CO 0.03 -0.02 -0.05 0.00 -2.81 0.00 0.00 179.45 176.60 3a73 h ALA 546 N 0.06 1.14 0.20 5.00 0.00 -1.58 1.71 119.26 125.80 3a73 h ALA 546 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a73 h ALA 546 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3a73 h ALA 546 CO -0.67 0.06 -0.10 0.28 0.00 0.00 0.00 179.25 178.83 3a73 h VAL 547 N 0.00 0.00 -0.23 0.00 2.07 -1.22 -1.37 116.25 115.51 3a73 h VAL 547 Ca -0.00 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3a73 h VAL 547 Cb 0.27 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3a73 h VAL 547 CO 0.01 0.00 -0.13 0.23 0.02 0.00 0.00 177.57 177.69 3a73 n MET 548 N -4.28 -0.10 -0.03 1.57 2.00 0.35 0.39 117.12 117.02 3a73 n MET 548 Ca -0.03 0.98 -0.01 0.00 0.00 0.00 0.00 57.70 58.64 3a73 n MET 548 Cb 0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 33.22 31.86 3a73 n MET 548 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3a73 n ASP 549 N -3.44 -0.09 0.29 7.83 10.43 0.58 0.43 116.55 132.57 3a73 n ASP 549 Ca 0.00 0.66 0.19 0.00 2.57 0.00 0.00 54.79 58.21 3a73 n ASP 549 Cb 0.06 -0.27 1.00 0.00 1.84 0.00 0.00 41.12 43.75 3a73 n ASP 549 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3a73 h ASP 550 N 0.00 0.00 0.05 -2.24 3.32 0.25 -2.67 116.42 115.12 3a73 h ASP 550 Ca 0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3a73 h ASP 550 Cb 0.03 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.59 3a73 h ASP 550 CO -0.08 0.00 -0.41 0.15 -1.72 0.00 0.00 179.24 177.19 3a73 h PHE 551 N 0.00 0.32 -0.73 4.55 3.57 0.49 -3.00 116.94 122.14 3a73 h PHE 551 Ca 0.00 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 3a73 h PHE 551 Cb 0.06 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3a73 h PHE 551 CO 0.00 1.10 0.27 0.00 -2.23 0.00 0.00 178.31 177.45 3a73 h ALA 552 N 0.14 0.95 -0.02 2.41 0.00 -1.23 -0.55 119.26 120.95 3a73 h ALA 552 Ca -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3a73 h ALA 552 Cb 1.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3a73 h ALA 552 CO 0.08 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.95 3a73 h ALA 553 N 1.13 1.39 -0.12 0.00 0.00 -1.56 -0.75 119.26 119.36 3a73 h ALA 553 Ca 0.24 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 3a73 h ALA 553 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a73 h ALA 553 CO -0.02 -0.04 -0.76 0.35 0.00 0.00 0.00 179.25 178.78 3a73 h PHE 554 N 0.00 0.99 0.12 0.00 3.57 -0.98 -2.86 116.94 117.77 3a73 h PHE 554 Ca 0.01 -0.46 -0.21 0.00 3.53 0.00 0.00 57.97 60.84 3a73 h PHE 554 Cb 0.07 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.67 3a73 h PHE 554 CO 0.00 1.28 -1.03 -0.39 -2.23 0.00 0.00 178.31 175.94 3a73 h VAL 555 N 0.42 1.30 0.48 1.41 -1.51 -0.44 -3.20 116.25 114.71 3a73 h VAL 555 Ca -0.06 -2.45 -0.02 0.00 -1.23 0.00 0.00 66.70 62.93 3a73 h VAL 555 Cb 1.40 2.97 0.00 0.00 -2.13 0.00 0.00 31.29 33.54 3a73 h VAL 555 CO 0.16 0.69 -0.23 -0.08 -1.23 0.00 0.00 177.57 176.87 3a73 h GLU 556 N -0.41 -0.63 0.00 5.19 4.22 -1.35 0.39 114.58 121.98 3a73 h GLU 556 Ca -0.21 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.27 3a73 h GLU 556 Cb 1.64 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3a73 h GLU 556 CO 0.09 -0.42 0.05 1.17 -2.18 0.00 0.00 179.01 177.72 3a73 n LYS 557 N -4.32 0.00 -0.09 1.92 0.00 -1.08 -0.80 118.16 113.79 3a73 n LYS 557 Ca -0.08 0.27 -0.12 0.00 0.00 0.00 0.00 58.31 58.39 3a73 n LYS 557 Cb 0.26 -1.55 -0.11 0.00 0.00 0.00 0.00 35.03 33.63 3a73 n LYS 557 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a73 n PHE 568 N -2.50 0.00 0.24 0.00 3.01 -1.26 -4.18 117.46 112.77 3a73 n PHE 568 Ca -0.05 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.30 3a73 n PHE 568 Cb 0.54 -0.28 -0.06 0.00 -0.01 0.00 0.00 39.48 39.66 3a73 n PHE 568 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a73 h ALA 569 N -0.21 -1.10 0.23 4.37 0.00 -1.99 -3.26 119.26 117.29 3a73 h ALA 569 Ca -0.19 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.23 3a73 h ALA 569 Cb 1.20 0.42 0.03 0.00 0.00 0.00 0.00 17.79 19.44 3a73 h ALA 569 CO -0.10 -1.08 -1.59 1.05 0.00 0.00 0.00 179.25 177.53 3a73 h GLU 570 N -0.69 0.48 0.00 0.00 4.11 -1.99 -0.21 114.58 116.27 3a73 h GLU 570 Ca -0.06 -0.82 0.00 0.00 0.07 0.00 0.00 59.36 58.55 3a73 h GLU 570 Cb 0.56 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3a73 h GLU 570 CO 0.05 1.39 0.10 0.93 0.07 0.00 0.00 179.01 181.54 3a73 h GLU 571 N 0.13 0.00 0.08 1.06 4.39 -1.77 -2.62 114.58 115.85 3a73 h GLU 571 Ca -0.29 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.06 3a73 h GLU 571 Cb 2.14 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.76 3a73 h GLU 571 CO 0.24 0.00 -1.90 0.41 -1.16 0.00 0.00 179.01 176.59 3a73 n GLY 572 N -1.16 -0.60 0.20 -3.84 0.00 -1.02 -1.83 105.19 96.95 3a73 n GLY 572 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 3a73 n GLY 572 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a73 n LYS 573 N -3.70 -0.21 0.11 1.61 5.02 -0.12 -2.12 118.16 118.75 3a73 n LYS 573 Ca -0.34 1.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.95 3a73 n LYS 573 Cb 0.96 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 34.20 3a73 n LYS 573 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3a73 h LYS 574 N 0.00 -0.23 -0.83 1.97 2.10 -1.59 -3.12 116.57 114.87 3a73 h LYS 574 Ca 0.08 0.02 0.14 0.00 -2.00 0.00 0.00 60.65 58.88 3a73 h LYS 574 Cb 0.20 0.05 -0.14 0.00 -0.90 0.00 0.00 32.23 31.44 3a73 h LYS 574 CO -0.45 -0.03 -0.30 -0.11 -2.00 0.00 0.00 179.45 176.56 3a73 n LEU 575 N -5.12 -0.49 -0.29 7.07 7.94 -0.76 -0.40 117.00 124.95 3a73 n LEU 575 Ca -0.09 1.45 -0.05 0.00 -1.11 0.00 0.00 56.01 56.21 3a73 n LEU 575 Cb 0.17 -0.36 0.07 0.00 0.53 0.00 0.00 43.42 43.83 3a73 n LEU 575 CO 0.33 -1.32 1.10 0.58 -1.11 0.00 0.00 177.39 176.97 3a73 h VAL 576 N 0.00 1.25 0.04 1.96 2.07 -1.38 0.63 116.25 120.82 3a73 h VAL 576 Ca 0.31 -0.67 -0.22 0.00 0.82 0.00 0.00 66.70 66.94 3a73 h VAL 576 Cb 0.52 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3a73 h VAL 576 CO -0.84 0.29 -1.01 0.00 0.02 0.00 0.00 177.57 176.04 3a73 h ALA 577 N 1.20 0.36 -0.32 1.67 0.00 -1.19 0.46 119.26 121.46 3a73 h ALA 577 Ca 0.27 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3a73 h ALA 577 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3a73 h ALA 577 CO -0.04 1.04 0.19 0.00 0.00 0.00 0.00 179.25 180.44 3a73 h ALA 578 N 0.89 0.40 -0.22 0.00 0.00 -0.33 0.22 119.26 120.23 3a73 h ALA 578 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3a73 h ALA 578 Cb 1.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3a73 h ALA 578 CO 0.15 -0.09 -0.50 0.77 0.00 0.00 0.00 179.25 179.58 3a73 h SER 579 N 0.40 0.66 0.01 0.00 0.02 -0.86 -2.40 113.55 111.40 3a73 h SER 579 Ca 0.11 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 3a73 h SER 579 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3a73 h SER 579 CO -0.02 1.05 -0.25 1.56 -1.14 0.00 0.00 176.83 178.03 3a73 h GLN 580 N 0.48 0.38 0.00 3.45 4.20 -0.54 0.56 115.11 123.64 3a73 h GLN 580 Ca 0.02 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3a73 h GLN 580 Cb 1.04 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.79 3a73 h GLN 580 CO 0.10 0.61 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 3a73 h ALA 581 N 1.40 1.00 -0.14 3.87 0.00 -0.18 -3.30 119.26 121.91 3a73 h ALA 581 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3a73 h ALA 581 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3a73 h ALA 581 CO 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 3a73 n ALA 582 N -1.91 2.86 -0.32 0.00 0.00 0.15 -4.72 120.51 116.57 3a73 n ALA 582 Ca 0.01 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.85 3a73 n ALA 582 Cb 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3a73 n ALA 582 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a73 n LEU 583 N -1.01 1.22 0.00 0.00 4.77 -0.96 -4.92 117.00 116.10 3a73 n LEU 583 Ca 0.20 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3a73 n LEU 583 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3a73 n LEU 583 CO 0.08 0.31 0.10 0.61 -1.33 0.00 0.00 177.39 177.16