#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 3.51 -0.00 0.00 4.02 -1.26 -5.04 115.29 116.52 3a73 s HIS 3 Ca 0.00 0.53 -0.19 0.00 1.02 0.00 0.00 55.06 56.42 3a73 s HIS 3 Cb 0.00 -2.04 -0.10 0.00 -1.02 0.00 0.00 32.58 29.42 3a73 s HIS 3 CO 0.00 0.05 0.87 0.87 1.02 0.00 0.00 174.74 177.55 3a73 h LYS 4 N 0.88 -0.64 -4.25 1.40 1.79 -1.96 -3.39 116.57 110.39 3a73 h LYS 4 Ca -0.49 0.04 -0.74 0.00 -2.18 0.00 0.00 60.65 57.29 3a73 h LYS 4 Cb 1.21 0.15 -0.26 0.00 -1.58 0.00 0.00 32.23 31.74 3a73 h LYS 4 CO 0.63 -0.43 -0.34 0.45 -1.08 0.00 0.00 179.45 178.68 3a73 s SER 5 N -4.23 5.92 0.21 0.86 0.15 -1.26 -4.27 113.70 111.08 3a73 s SER 5 Ca -0.10 -1.73 -0.06 0.00 0.70 0.00 0.00 55.95 54.76 3a73 s SER 5 Cb 0.01 -2.10 0.16 0.00 -1.71 0.00 0.00 66.02 62.38 3a73 s SER 5 CO 0.29 -0.72 1.66 -0.33 1.20 0.00 0.00 173.24 175.34 3a73 h GLU 6 N 8.63 0.92 -0.33 5.44 4.39 -1.78 -2.26 114.58 129.60 3a73 h GLU 6 Ca -0.25 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.09 3a73 h GLU 6 Cb 1.09 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 3a73 h GLU 6 CO 0.91 0.96 0.02 -0.24 -1.16 0.00 0.00 179.01 179.50 3a73 h VAL 7 N 0.83 1.19 -0.12 3.13 3.04 -1.83 -1.30 116.25 121.19 3a73 h VAL 7 Ca 0.14 -0.72 -0.08 0.00 -1.01 0.00 0.00 66.70 65.03 3a73 h VAL 7 Cb 0.61 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3a73 h VAL 7 CO 0.04 0.25 -0.22 0.00 -1.01 0.00 0.00 177.57 176.63 3a73 h ALA 8 N 1.54 0.18 -0.28 3.17 0.00 -1.78 -2.16 119.26 119.93 3a73 h ALA 8 Ca 0.11 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3a73 h ALA 8 Cb 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3a73 h ALA 8 CO 0.01 0.14 0.03 1.25 0.00 0.00 0.00 179.25 180.68 3a73 h HIS 9 N -0.07 0.04 -0.77 0.00 6.17 -1.26 -1.42 115.15 117.84 3a73 h HIS 9 Ca 0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 3a73 h HIS 9 Cb 0.81 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.73 3a73 h HIS 9 CO 0.10 -0.02 0.48 0.00 0.71 0.00 0.00 177.93 179.21 3a73 h ARG 10 N 0.12 1.04 -0.27 5.26 2.47 -1.21 -1.70 114.38 120.09 3a73 h ARG 10 Ca 0.13 -0.08 -0.16 0.00 -1.26 0.00 0.00 59.98 58.62 3a73 h ARG 10 Cb 0.16 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3a73 h ARG 10 CO -0.20 0.71 -0.44 0.35 0.56 0.00 0.00 179.97 180.95 3a73 h PHE 11 N 1.06 0.97 -0.08 3.04 3.57 -0.99 0.66 116.94 125.17 3a73 h PHE 11 Ca 0.28 -0.33 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 3a73 h PHE 11 Cb -0.07 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3a73 h PHE 11 CO 0.00 1.13 -0.42 0.87 -2.23 0.00 0.00 178.31 177.67 3a73 h LYS 12 N 0.53 0.17 0.02 1.11 1.57 -1.20 -1.85 116.57 116.92 3a73 h LYS 12 Ca 0.02 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3a73 h LYS 12 Cb 1.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3a73 h LYS 12 CO 0.10 0.56 -0.01 0.22 -0.57 0.00 0.00 179.45 179.75 3a73 h ASP 13 N 0.14 -0.02 -0.07 0.86 1.82 -1.19 -3.36 116.42 114.60 3a73 h ASP 13 Ca 0.01 -0.67 -0.05 0.00 -0.39 0.00 0.00 57.03 55.94 3a73 h ASP 13 Cb 0.80 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 3a73 h ASP 13 CO 0.06 0.79 -0.08 -0.07 -1.61 0.00 0.00 179.24 178.33 3a73 h LEU 14 N -0.96 0.32 0.00 2.28 3.38 -0.96 -3.48 115.31 115.89 3a73 h LEU 14 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3a73 h LEU 14 Cb 0.69 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3a73 h LEU 14 CO 0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.59 3a73 n GLY 15 N -0.89 -1.55 0.24 0.83 0.00 -0.70 -4.39 105.19 98.74 3a73 n GLY 15 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 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 0.55 -0.74 1.61 4.81 -1.96 -1.21 114.58 117.65 3a73 h GLU 16 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3a73 h GLU 16 Cb 0.00 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3a73 h GLU 16 CO 0.00 0.36 0.34 0.93 -0.73 0.00 0.00 179.01 179.92 3a73 h GLU 17 N 0.57 1.08 -0.37 1.92 4.39 -1.96 -1.39 114.58 118.81 3a73 h GLU 17 Ca 0.29 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 3a73 h GLU 17 Cb 0.24 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3a73 h GLU 17 CO -0.21 0.85 -0.29 -0.91 -1.16 0.00 0.00 179.01 177.29 3a73 h ASN 18 N 1.04 0.80 -0.26 1.42 2.35 -1.64 -2.08 115.58 117.22 3a73 h ASN 18 Ca 0.25 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3a73 h ASN 18 Cb 0.14 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3a73 h ASN 18 CO -0.03 1.04 0.04 0.15 -1.65 0.00 0.00 177.43 176.99 3a73 h PHE 19 N 0.66 0.45 -0.46 1.19 3.57 -0.91 0.50 116.94 121.94 3a73 h PHE 19 Ca 0.08 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3a73 h PHE 19 Cb 0.82 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3a73 h PHE 19 CO 0.04 0.53 0.25 0.87 -2.23 0.00 0.00 178.31 177.78 3a73 h LYS 20 N 0.24 0.64 -0.46 1.11 1.57 -1.24 0.26 116.57 118.69 3a73 h LYS 20 Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a73 h LYS 20 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3a73 h LYS 20 CO 0.00 0.51 0.30 0.00 -0.57 0.00 0.00 179.45 179.69 3a73 h ALA 21 N 1.10 0.59 -0.00 3.86 0.00 -0.96 -1.25 119.26 122.60 3a73 h ALA 21 Ca 0.16 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3a73 h ALA 21 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a73 h ALA 21 CO -0.03 0.05 -0.73 -0.07 0.00 0.00 0.00 179.25 178.47 3a73 h LEU 22 N 0.62 0.05 -0.56 0.00 3.38 -0.66 -0.93 115.31 117.22 3a73 h LEU 22 Ca 0.17 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3a73 h LEU 22 Cb -0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3a73 h LEU 22 CO -0.03 0.77 0.08 0.58 0.09 0.00 0.00 178.44 179.93 3a73 h VAL 23 N 0.03 1.26 -0.36 1.22 2.07 -0.84 -0.91 116.25 118.72 3a73 h VAL 23 Ca -0.01 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3a73 h VAL 23 Cb 1.30 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3a73 h VAL 23 CO 0.10 0.36 0.14 0.25 0.02 0.00 0.00 177.57 178.43 3a73 h LEU 24 N 0.82 0.50 -0.07 2.57 5.85 -0.92 -1.99 115.31 122.06 3a73 h LEU 24 Ca 0.17 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3a73 h LEU 24 Cb 0.42 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3a73 h LEU 24 CO 0.01 0.53 -0.02 0.40 -0.34 0.00 0.00 178.44 179.02 3a73 h ILE 25 N 0.43 0.92 -0.52 4.05 2.04 -0.92 -0.51 117.51 122.99 3a73 h ILE 25 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3a73 h ILE 25 Cb 0.20 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3a73 h ILE 25 CO -0.01 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.27 3a73 h ALA 26 N 1.05 0.69 -0.57 1.87 0.00 -1.00 -1.44 119.26 119.86 3a73 h ALA 26 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3a73 h ALA 26 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a73 h ALA 26 CO -0.08 0.39 -0.03 0.74 0.00 0.00 0.00 179.25 180.27 3a73 h PHE 27 N 0.73 1.12 0.00 0.00 0.04 -1.31 -2.85 116.94 114.67 3a73 h PHE 27 Ca 0.16 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3a73 h PHE 27 Cb 0.34 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3a73 h PHE 27 CO 0.02 1.00 -0.08 0.00 -0.60 0.00 0.00 178.31 178.66 3a73 h ALA 28 N 1.02 1.31 0.00 2.45 0.00 -0.50 0.55 119.26 124.10 3a73 h ALA 28 Ca 0.16 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3a73 h ALA 28 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3a73 h ALA 28 CO 0.03 0.09 -0.70 1.96 0.00 0.00 0.00 179.25 180.64 3a73 h GLN 29 N 0.00 0.00 0.10 0.00 4.20 -1.05 -3.27 115.11 115.09 3a73 h GLN 29 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 3a73 h GLN 29 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3a73 h GLN 29 CO 0.01 0.49 -1.99 0.66 -0.67 0.00 0.00 178.83 177.33 3a73 n TYR 30 N -3.17 1.10 -3.02 2.96 4.01 -1.00 -4.61 117.16 113.44 3a73 n TYR 30 Ca -0.00 0.25 -0.36 0.00 -0.16 0.00 0.00 57.90 57.63 3a73 n TYR 30 Cb 0.76 -1.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.64 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 -3.56 5.68 0.24 7.72 4.77 0.19 -4.90 117.00 127.15 3a73 n LEU 31 Ca -0.34 -5.39 0.10 0.00 -0.03 0.00 0.00 56.01 50.36 3a73 n LEU 31 Cb 1.01 -0.98 0.62 0.00 -2.33 0.00 0.00 43.42 41.74 3a73 n LEU 31 CO 0.39 1.97 0.91 1.56 -1.33 0.00 0.00 177.39 180.89 3a73 h GLN 32 N 4.45 0.00 -0.06 3.23 4.20 -1.79 -2.54 115.11 122.61 3a73 h GLN 32 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3a73 h GLN 32 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3a73 h GLN 32 CO 1.10 0.17 0.00 1.04 -0.67 0.00 0.00 178.83 180.47 3a73 n GLN 33 N -3.73 2.09 -2.97 1.46 6.02 -1.26 -4.94 117.38 114.04 3a73 n GLN 33 Ca -0.02 -1.59 -0.39 0.00 -0.01 0.00 0.00 57.00 54.99 3a73 n GLN 33 Cb 0.29 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.10 2.85 0.13 0.00 0.02 -1.26 -4.84 135.00 130.81 3a73 s PRO 35 Ca 0.36 1.30 -0.32 0.00 0.02 0.00 0.00 61.00 62.36 3a73 s PRO 35 Cb -0.23 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 3a73 s PRO 35 CO 0.26 -1.19 1.54 0.35 -0.33 0.00 0.00 177.00 177.63 3a73 h PHE 36 N -0.07 -1.71 -0.31 6.54 3.57 -1.98 -2.17 116.94 120.82 3a73 h PHE 36 Ca -0.46 0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.22 3a73 h PHE 36 Cb 1.24 0.81 -0.01 0.00 2.79 0.00 0.00 35.95 40.77 3a73 h PHE 36 CO 0.56 -0.47 0.25 1.05 -2.23 0.00 0.00 178.31 177.47 3a73 h GLU 37 N -0.34 0.00 -0.46 1.11 9.09 -1.99 0.14 114.58 122.13 3a73 h GLU 37 Ca 0.08 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.38 3a73 h GLU 37 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 3a73 h GLU 37 CO -0.63 0.00 -0.15 -0.44 0.05 0.00 0.00 179.01 177.84 3a73 h ASP 38 N 0.00 0.87 0.06 3.06 3.45 -1.75 -1.97 116.42 120.14 3a73 h ASP 38 Ca 0.15 -0.29 -0.13 0.00 0.43 0.00 0.00 57.03 57.19 3a73 h ASP 38 Cb 0.65 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 3a73 h ASP 38 CO -0.00 1.02 -0.43 0.45 -1.57 0.00 0.00 179.24 178.70 3a73 h HIS 39 N 0.77 0.54 0.17 4.55 3.86 -0.60 -1.97 115.15 122.47 3a73 h HIS 39 Ca 0.12 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3a73 h HIS 39 Cb 0.67 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 3a73 h HIS 39 CO 0.04 0.81 -0.23 0.28 0.86 0.00 0.00 177.93 179.69 3a73 h VAL 40 N 0.37 0.49 -0.47 2.45 2.07 -1.12 0.28 116.25 120.32 3a73 h VAL 40 Ca 0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3a73 h VAL 40 Cb 0.91 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3a73 h VAL 40 CO 0.08 0.00 0.10 0.50 0.02 0.00 0.00 177.57 178.27 3a73 h LYS 41 N -0.46 0.23 -0.01 1.57 3.64 -1.30 0.22 116.57 120.47 3a73 h LYS 41 Ca 0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3a73 h LYS 41 Cb 0.45 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3a73 h LYS 41 CO -0.09 0.15 0.00 -0.07 -2.27 0.00 0.00 179.45 177.17 3a73 h LEU 42 N 0.24 0.02 -0.59 5.20 3.38 -1.11 -0.12 115.31 122.32 3a73 h LEU 42 Ca 0.23 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3a73 h LEU 42 Cb 0.30 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 3a73 h LEU 42 CO -0.30 0.28 -0.44 0.58 0.09 0.00 0.00 178.44 178.65 3a73 h VAL 43 N -0.25 0.08 -0.57 1.22 2.07 -0.04 0.39 116.25 119.15 3a73 h VAL 43 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3a73 h VAL 43 Cb 0.27 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3a73 h VAL 43 CO 0.00 0.00 0.22 0.78 0.02 0.00 0.00 177.57 178.59 3a73 h ASN 44 N -0.22 0.23 -0.39 0.57 -0.26 -0.32 0.13 115.58 115.32 3a73 h ASN 44 Ca 0.18 0.07 0.03 0.00 -0.56 0.00 0.00 56.30 56.02 3a73 h ASN 44 Cb 0.56 0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.83 3a73 h ASN 44 CO -0.70 0.15 0.18 -0.33 -1.06 0.00 0.00 177.43 175.67 3a73 h GLU 45 N 0.41 0.35 -0.44 0.81 5.08 -0.67 -0.52 114.58 119.60 3a73 h GLU 45 Ca 0.28 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3a73 h GLU 45 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3a73 h GLU 45 CO -0.27 0.23 -0.21 0.28 -1.00 0.00 0.00 179.01 178.04 3a73 h VAL 46 N 0.37 1.27 -0.67 3.13 2.07 -0.01 -1.74 116.25 120.67 3a73 h VAL 46 Ca 0.17 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3a73 h VAL 46 Cb 0.10 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3a73 h VAL 46 CO -0.13 0.46 0.25 0.74 0.02 0.00 0.00 177.57 178.90 3a73 h THR 47 N 0.76 1.24 -0.49 2.57 2.02 -0.47 -0.97 112.91 117.58 3a73 h THR 47 Ca 0.10 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 3a73 h THR 47 Cb 0.75 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3a73 h THR 47 CO 0.06 0.31 -0.20 -0.33 0.37 0.00 0.00 175.52 175.73 3a73 h GLU 48 N 0.95 1.00 -0.56 6.66 4.39 -0.99 -1.02 114.58 125.01 3a73 h GLU 48 Ca 0.22 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 3a73 h GLU 48 Cb 0.24 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3a73 h GLU 48 CO -0.01 1.10 0.05 0.35 -1.16 0.00 0.00 179.01 179.33 3a73 h PHE 49 N 0.86 1.03 -0.42 4.33 3.57 -1.18 -2.89 116.94 122.25 3a73 h PHE 49 Ca 0.11 -0.16 0.08 0.00 3.53 0.00 0.00 57.97 61.53 3a73 h PHE 49 Cb 0.78 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 3a73 h PHE 49 CO 0.05 0.92 -0.02 0.00 -2.23 0.00 0.00 178.31 177.03 3a73 h ALA 50 N 0.98 0.37 -0.52 2.41 0.00 -0.79 -0.75 119.26 120.95 3a73 h ALA 50 Ca 0.17 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3a73 h ALA 50 Cb 0.48 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3a73 h ALA 50 CO 0.02 -0.40 0.36 0.87 0.00 0.00 0.00 179.25 180.09 3a73 h LYS 51 N 0.09 0.22 -0.08 0.00 1.57 -1.05 -0.70 116.57 116.62 3a73 h LYS 51 Ca 0.21 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3a73 h LYS 51 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3a73 h LYS 51 CO -0.36 0.15 -0.41 1.79 -0.57 0.00 0.00 179.45 180.04 3a73 h THR 52 N 0.23 1.31 -0.13 -0.16 1.35 -0.94 -1.65 112.91 112.92 3a73 h THR 52 Ca 0.24 -1.50 -0.22 0.00 -0.55 0.00 0.00 66.41 64.38 3a73 h THR 52 Cb 0.66 1.71 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3a73 h THR 52 CO -0.05 0.44 -0.78 0.00 -0.25 0.00 0.00 175.52 174.88 3a73 h VAL 54 N 0.49 1.22 -0.02 0.00 2.07 -1.00 -1.76 116.25 117.26 3a73 h VAL 54 Ca -0.05 -0.45 -0.20 0.00 0.82 0.00 0.00 66.70 66.82 3a73 h VAL 54 Cb 1.40 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3a73 h VAL 54 CO 0.16 0.22 -0.86 0.00 0.02 0.00 0.00 177.57 177.11 3a73 h ALA 55 N 1.28 0.50 -1.93 1.67 0.00 -1.25 -3.42 119.26 116.10 3a73 h ALA 55 Ca 0.29 -0.69 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 3a73 h ALA 55 Cb -0.08 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 17.35 3a73 h ALA 55 CO -0.06 0.84 -0.58 0.34 0.00 0.00 0.00 179.25 179.80 3a73 s ASP 56 N -6.99 0.95 0.61 0.00 3.68 -0.00 -5.00 116.67 109.91 3a73 s ASP 56 Ca -0.04 -0.48 0.38 0.00 2.13 0.00 0.00 52.55 54.54 3a73 s ASP 56 Cb 0.10 0.83 1.94 0.00 -1.45 0.00 0.00 42.92 44.34 3a73 s ASP 56 CO 0.84 -0.36 2.21 1.05 0.13 0.00 0.00 175.17 179.04 3a73 h GLU 57 N 8.21 0.00 -0.11 4.34 4.11 -1.56 0.19 114.58 129.76 3a73 h GLU 57 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 3a73 h GLU 57 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3a73 h GLU 57 CO 0.30 0.02 0.00 0.43 0.07 0.00 0.00 179.01 179.83 3a73 n SER 58 N -3.22 1.21 -4.78 3.06 7.64 -1.26 -4.49 113.62 111.79 3a73 n SER 58 Ca -0.02 -1.61 -0.35 0.00 1.01 0.00 0.00 58.87 57.90 3a73 n SER 58 Cb 0.17 -0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.86 2.67 -0.19 -0.43 0.00 0.06 -4.91 121.76 117.11 3a73 s ALA 59 Ca 0.32 0.76 -0.43 0.00 0.00 0.00 0.00 51.96 52.61 3a73 s ALA 59 Cb 0.17 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.74 3a73 s ALA 59 CO 0.26 -0.82 1.28 -1.91 0.00 0.00 0.00 175.76 174.56 3a73 n GLU 60 N -1.47 0.04 -0.88 0.00 2.13 -1.26 -1.60 120.64 117.59 3a73 n GLU 60 Ca 0.11 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3a73 n GLU 60 Cb 0.51 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.70 3a73 n GLU 60 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3a73 n ASN 61 N 2.49 -0.39 0.16 4.31 4.13 -1.26 -4.83 115.26 119.87 3a73 n ASN 61 Ca 0.24 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.54 3a73 n ASN 61 Cb 0.03 -0.72 0.18 0.00 -1.54 0.00 0.00 39.78 37.73 3a73 n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a73 n ASP 63 N -3.38 1.09 -4.81 0.00 5.75 -1.26 -4.08 116.55 109.86 3a73 n ASP 63 Ca 0.01 -1.38 -0.33 0.00 -0.01 0.00 0.00 54.79 53.08 3a73 n ASP 63 Cb 0.63 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 3.46 0.81 0.11 1.02 -1.16 -4.87 119.74 117.10 3a73 s LYS 64 Ca 0.40 1.16 -0.11 0.00 0.02 0.00 0.00 55.97 57.44 3a73 s LYS 64 Cb 0.21 -2.05 0.08 0.00 -0.52 0.00 0.00 37.83 35.54 3a73 s LYS 64 CO 0.34 -0.69 1.09 -1.54 -0.92 0.00 0.00 175.35 173.62 3a73 s SER 65 N -2.82 4.27 0.28 2.83 1.04 -1.26 -4.48 113.70 113.55 3a73 s SER 65 Ca 0.63 1.63 -0.03 0.00 0.48 0.00 0.00 55.95 58.66 3a73 s SER 65 Cb -0.15 -2.35 0.39 0.00 0.10 0.00 0.00 66.02 64.01 3a73 s SER 65 CO 0.35 -2.16 1.92 -0.07 0.98 0.00 0.00 173.24 174.27 3a73 h LEU 66 N -1.21 0.95 -0.31 2.42 3.38 -1.96 -2.08 115.31 116.50 3a73 h LEU 66 Ca -0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3a73 h LEU 66 Cb 1.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3a73 h LEU 66 CO 0.54 0.75 0.15 0.45 0.09 0.00 0.00 178.44 180.41 3a73 h HIS 67 N 1.09 0.46 -0.45 1.13 3.86 -2.00 -1.71 115.15 117.53 3a73 h HIS 67 Ca 0.28 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 3a73 h HIS 67 Cb -0.02 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.26 3a73 h HIS 67 CO 0.01 0.41 0.19 1.15 0.86 0.00 0.00 177.93 180.54 3a73 h THR 68 N 0.37 0.90 -0.41 2.45 2.02 -1.86 -0.47 112.91 115.91 3a73 h THR 68 Ca 0.11 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 3a73 h THR 68 Cb 0.12 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3a73 h THR 68 CO -0.01 0.07 -0.20 -0.07 0.37 0.00 0.00 175.52 175.67 3a73 h LEU 69 N 0.38 0.83 0.40 2.58 3.38 -1.19 0.14 115.31 121.83 3a73 h LEU 69 Ca 0.21 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3a73 h LEU 69 Cb 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a73 h LEU 69 CO -0.18 1.01 -0.19 0.15 0.09 0.00 0.00 178.44 179.31 3a73 h PHE 70 N 0.72 -0.50 -0.26 1.13 3.57 -1.17 -0.77 116.94 119.65 3a73 h PHE 70 Ca 0.10 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3a73 h PHE 70 Cb 0.72 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 3a73 h PHE 70 CO 0.04 -0.18 -0.07 0.78 -2.23 0.00 0.00 178.31 176.64 3a73 h GLY 71 N -0.81 0.18 0.42 2.40 0.00 -0.95 0.55 103.07 104.86 3a73 h GLY 71 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.44 3a73 h GLY 71 CO 0.09 -0.11 0.02 -0.55 0.00 0.00 0.00 176.54 175.99 3a73 h ASP 72 N -0.01 -0.12 -0.49 0.19 3.45 -0.74 -0.84 116.42 117.86 3a73 h ASP 72 Ca 0.13 0.08 0.02 0.00 0.43 0.00 0.00 57.03 57.70 3a73 h ASP 72 Cb 0.21 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 3a73 h ASP 72 CO -0.28 -0.02 0.29 0.50 -1.57 0.00 0.00 179.24 178.16 3a73 h LYS 73 N 0.13 0.55 -0.93 3.56 1.63 0.17 -2.37 116.57 119.31 3a73 h LYS 73 Ca 0.19 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 60.04 3a73 h LYS 73 Cb 0.26 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.69 3a73 h LYS 73 CO -0.30 0.37 0.60 -0.07 -3.45 0.00 0.00 179.45 176.60 3a73 h LEU 74 N 0.57 0.88 -0.03 5.20 3.38 -0.33 -0.98 115.31 124.00 3a73 h LEU 74 Ca 0.20 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3a73 h LEU 74 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3a73 h LEU 74 CO -0.10 0.53 -0.00 0.00 0.09 0.00 0.00 178.44 178.95 3a73 n THR 76 N -1.08 0.00 -2.09 0.00 -2.24 -0.38 -4.89 114.28 103.61 3a73 n THR 76 Ca 0.20 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3a73 n THR 76 Cb 0.17 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 3a73 n THR 76 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3a73 s VAL 77 N -2.61 3.49 0.10 2.28 -7.23 -1.05 -4.84 120.40 110.54 3a73 s VAL 77 Ca 0.18 0.83 0.22 0.00 -1.81 0.00 0.00 61.98 61.40 3a73 s VAL 77 Cb 0.18 -3.54 0.19 0.00 0.56 0.00 0.00 36.38 33.78 3a73 s VAL 77 CO 0.61 -0.02 1.76 0.00 -0.31 0.00 0.00 175.10 177.14 3a73 h ALA 78 N 8.39 0.98 -0.55 1.32 0.00 -1.91 -2.82 119.26 124.67 3a73 h ALA 78 Ca -0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3a73 h ALA 78 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3a73 h ALA 78 CO 0.93 0.36 0.00 0.25 0.00 0.00 0.00 179.25 180.79 3a73 n THR 79 N -3.41 2.72 -0.16 0.00 -2.24 -1.26 -4.69 114.28 105.24 3a73 n THR 79 Ca 0.00 -1.45 -0.02 0.00 -2.27 0.00 0.00 64.05 60.31 3a73 n THR 79 Cb 0.48 -0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.51 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 3.81 -0.15 -0.13 3.22 5.85 -1.87 0.33 115.31 126.36 3a73 h LEU 80 Ca 0.00 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3a73 h LEU 80 Cb 1.93 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 3a73 h LEU 80 CO 0.47 -0.05 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.30 3a73 h ARG 81 N 0.15 0.32 -0.74 1.25 2.43 -1.84 0.90 114.38 116.85 3a73 h ARG 81 Ca 0.26 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3a73 h ARG 81 Cb 0.39 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3a73 h ARG 81 CO -0.40 0.72 0.42 1.49 -1.51 0.00 0.00 179.97 180.68 3a73 h GLU 82 N -0.07 1.02 0.05 0.20 4.81 -1.81 0.01 114.58 118.79 3a73 h GLU 82 Ca 0.02 -0.10 -0.34 0.00 -0.13 0.00 0.00 59.36 58.80 3a73 h GLU 82 Cb 0.66 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3a73 h GLU 82 CO 0.03 0.74 -2.00 2.41 -0.73 0.00 0.00 179.01 179.45 3a73 n THR 83 N -4.37 1.65 0.39 0.32 -1.04 0.07 -4.61 114.28 106.69 3a73 n THR 83 Ca 0.08 -0.71 0.04 0.00 -2.04 0.00 0.00 64.05 61.41 3a73 n THR 83 Cb 0.09 -1.33 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 3a73 n THR 83 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3a73 n TYR 84 N -3.23 0.00 0.00 -1.42 4.01 0.31 -5.05 117.16 111.78 3a73 n TYR 84 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 3a73 n TYR 84 Cb 1.05 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 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 1.20 1.28 0.19 2.72 0.00 -0.01 -2.98 105.19 107.59 3a73 n GLY 85 Ca 0.02 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.33 3a73 n GLY 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3a73 h GLU 86 N 0.00 0.00 -0.35 1.61 4.11 -1.91 -2.88 114.58 115.16 3a73 h GLU 86 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 3a73 h GLU 86 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3a73 h GLU 86 CO 0.00 0.36 0.24 1.98 0.07 0.00 0.00 179.01 181.66 3a73 h MET 87 N 0.00 0.16 0.00 1.06 4.05 -1.87 0.38 114.93 118.71 3a73 h MET 87 Ca -0.00 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 3a73 h MET 87 Cb 0.90 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 3a73 h MET 87 CO 0.05 0.11 -0.41 0.00 0.23 0.00 0.00 176.91 176.88 3a73 h ALA 88 N 1.82 1.21 -0.52 0.39 0.00 -1.75 -2.40 119.26 118.00 3a73 h ALA 88 Ca 0.16 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3a73 h ALA 88 Cb 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3a73 h ALA 88 CO -0.02 0.51 0.35 -0.44 0.00 0.00 0.00 179.25 179.65 3a73 h ASP 89 N 0.00 0.51 -1.04 0.00 3.45 -0.36 -1.75 116.42 117.22 3a73 h ASP 89 Ca -0.00 -0.01 0.27 0.00 0.43 0.00 0.00 57.03 57.72 3a73 h ASP 89 Cb 0.78 -0.12 -0.09 0.00 -0.56 0.00 0.00 39.33 39.34 3a73 h ASP 89 CO 0.05 0.35 0.67 0.00 -1.57 0.00 0.00 179.24 178.75 3a73 n ALA 92 N -2.51 1.43 -2.86 0.00 0.00 -1.05 -4.81 120.51 110.71 3a73 n ALA 92 Ca 0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 3a73 n ALA 92 Cb 0.22 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.86 3.21 0.46 0.00 1.02 -0.67 -5.10 119.74 115.81 3a73 s LYS 93 Ca 0.05 -0.56 -0.21 0.00 0.02 0.00 0.00 55.97 55.28 3a73 s LYS 93 Cb 0.05 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.36 3a73 s LYS 93 CO 0.14 0.58 0.99 -0.65 -0.92 0.00 0.00 175.35 175.49 3a73 s GLN 94 N -2.53 4.03 0.24 1.68 -1.52 -1.26 -4.33 119.66 115.97 3a73 s GLN 94 Ca 0.33 1.23 -0.04 0.00 -1.95 0.00 0.00 55.36 54.92 3a73 s GLN 94 Cb -0.12 -2.14 0.42 0.00 -0.22 0.00 0.00 33.01 30.94 3a73 s GLN 94 CO 0.26 -0.22 1.78 1.49 -0.25 0.00 0.00 175.29 178.35 3a73 h GLU 95 N 1.74 0.63 -0.12 2.91 4.57 -1.97 0.16 114.58 122.51 3a73 h GLU 95 Ca -0.49 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 57.70 3a73 h GLU 95 Cb 1.20 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.59 3a73 h GLU 95 CO 0.60 0.42 -0.31 -1.35 -1.18 0.00 0.00 179.01 177.19 3a73 h PRO 96 N 0.65 -0.38 -0.25 0.92 0.11 -2.00 -2.25 132.00 128.80 3a73 h PRO 96 Ca 0.40 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 3a73 h PRO 96 Cb 0.46 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3a73 h PRO 96 CO -0.30 -0.25 -0.07 0.93 -0.21 0.00 0.00 178.00 178.10 3a73 h GLU 97 N -0.39 0.49 -0.60 1.05 3.07 -1.16 -2.25 114.58 114.79 3a73 h GLU 97 Ca 0.09 -0.19 0.10 0.00 -0.50 0.00 0.00 59.36 58.86 3a73 h GLU 97 Cb 0.53 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.34 3a73 h GLU 97 CO -0.34 0.72 0.18 -0.09 -1.40 0.00 0.00 179.01 178.08 3a73 h ARG 98 N 0.24 0.33 -0.18 2.33 2.43 -0.79 -0.40 114.38 118.34 3a73 h ARG 98 Ca 0.06 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3a73 h ARG 98 Cb 0.54 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3a73 h ARG 98 CO 0.03 0.22 0.00 -0.97 -1.51 0.00 0.00 179.97 177.73 3a73 h ASN 99 N 0.34 0.32 -1.00 -3.80 -1.24 -1.30 -1.06 115.58 107.84 3a73 h ASN 99 Ca 0.31 -0.31 0.21 0.00 0.71 0.00 0.00 56.30 57.22 3a73 h ASN 99 Cb 0.43 -0.09 -0.11 0.00 0.73 0.00 0.00 38.32 39.28 3a73 h ASN 99 CO -0.35 0.55 0.61 -0.33 -1.29 0.00 0.00 177.43 176.62 3a73 h GLU 100 N 0.08 0.67 -0.33 6.67 4.39 -0.78 -2.41 114.58 122.87 3a73 h GLU 100 Ca 0.05 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3a73 h GLU 100 Cb 0.38 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3a73 h GLU 100 CO 0.01 0.44 -0.15 0.00 -1.16 0.00 0.00 179.01 178.15 3a73 h PHE 102 N 0.44 0.18 -0.78 0.00 0.05 -0.91 -2.60 116.94 113.32 3a73 h PHE 102 Ca 0.07 0.02 0.17 0.00 3.82 0.00 0.00 57.97 62.05 3a73 h PHE 102 Cb 0.67 -0.02 -0.11 0.00 2.00 0.00 0.00 35.95 38.49 3a73 h PHE 102 CO 0.06 0.05 0.28 -0.07 -0.18 0.00 0.00 178.31 178.45 3a73 h LEU 103 N 0.24 0.20 -0.59 1.54 4.07 -0.94 -1.11 115.31 118.71 3a73 h LEU 103 Ca 0.17 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.26 3a73 h LEU 103 Cb 0.18 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.05 3a73 h LEU 103 CO -0.20 0.03 0.00 0.00 -1.08 0.00 0.00 178.44 177.19 3a73 n GLN 104 N -5.06 0.20 -0.54 1.13 1.13 -0.99 -3.07 117.38 110.17 3a73 n GLN 104 Ca 0.16 0.39 0.08 0.00 -1.94 0.00 0.00 57.00 55.69 3a73 n GLN 104 Cb 0.48 -1.85 0.30 0.00 0.11 0.00 0.00 30.24 29.28 3a73 n GLN 104 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3a73 n HIS 105 N -2.22 1.26 -2.12 1.08 8.25 -0.43 -4.88 115.22 116.15 3a73 n HIS 105 Ca 0.03 -0.71 -0.42 0.00 -0.26 0.00 0.00 57.72 56.36 3a73 n HIS 105 Cb 0.25 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.24 3.19 0.99 -0.41 1.02 -1.18 -4.98 119.74 116.13 3a73 s LYS 106 Ca 0.44 1.00 -0.14 0.00 0.02 0.00 0.00 55.97 57.29 3a73 s LYS 106 Cb 0.32 -4.21 0.05 0.00 -0.52 0.00 0.00 37.83 33.47 3a73 s LYS 106 CO 0.16 -2.05 0.33 -3.47 -0.92 0.00 0.00 175.35 169.40 3a73 n ASP 107 N 10.59 -2.14 0.00 2.83 -0.08 -1.26 -4.95 116.55 121.53 3a73 n ASP 107 Ca 0.20 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 3a73 n ASP 107 Cb 0.49 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.79 3a73 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3a73 n ASP 108 N -1.42 0.00 -1.28 1.67 -0.08 -1.26 -4.77 116.55 109.41 3a73 n ASP 108 Ca 0.05 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.39 3a73 n ASP 108 Cb 0.55 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.26 3a73 n ASP 108 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3a73 n ASN 109 N 0.00 3.71 0.00 1.67 4.05 -1.26 -4.89 115.26 118.55 3a73 n ASN 109 Ca 0.00 -2.47 0.00 0.00 0.45 0.00 0.00 54.58 52.56 3a73 n ASN 109 Cb 0.00 -0.56 0.00 0.00 1.23 0.00 0.00 39.78 40.45 3a73 n ASN 109 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3a73 n PRO 110 N 0.50 0.00 -0.16 1.20 -0.02 -1.26 -4.57 135.00 130.69 3a73 n PRO 110 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3a73 n PRO 110 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.24 3a73 n PRO 110 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a73 n ASN 111 N 0.00 -0.39 -4.64 2.55 3.02 -1.26 -5.08 115.26 109.45 3a73 n ASN 111 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 3a73 n ASN 111 Cb 0.00 -0.07 0.18 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.00 2.01 0.19 3.41 1.43 -1.26 -5.01 118.68 119.45 3a73 s LEU 112 Ca 0.00 1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 54.61 3a73 s LEU 112 Cb 0.00 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 3a73 s LEU 112 CO 0.00 -3.18 0.62 -2.16 0.23 0.00 0.00 176.35 171.86 3a73 s PRO 113 N -4.73 4.05 0.11 1.29 0.04 -1.26 -4.99 135.00 129.50 3a73 s PRO 113 Ca 0.66 0.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 3a73 s PRO 113 Cb -0.21 -2.84 -0.14 0.00 0.04 0.00 0.00 34.50 31.34 3a73 s PRO 113 CO 0.59 0.41 0.55 0.54 0.04 0.00 0.00 177.00 179.13 3a73 n ARG 114 N 0.59 0.00 -2.90 4.56 1.74 -1.26 -4.86 116.66 114.52 3a73 n ARG 114 Ca -0.03 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 3a73 n ARG 114 Cb 0.52 -0.92 -0.05 0.00 -1.02 0.00 0.00 32.46 30.99 3a73 n ARG 114 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a73 s LEU 115 N 1.68 4.13 -0.06 0.55 1.43 -1.26 -5.03 118.68 120.12 3a73 s LEU 115 Ca 0.58 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.56 3a73 s LEU 115 Cb -0.83 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3a73 s LEU 115 CO 0.45 -0.93 0.58 0.68 0.23 0.00 0.00 176.35 177.36 3a73 s VAL 116 N 3.44 5.04 -0.07 -1.59 -7.23 -1.26 -5.03 120.40 113.70 3a73 s VAL 116 Ca 0.33 1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 61.39 3a73 s VAL 116 Cb -0.12 -3.92 -0.04 0.00 0.56 0.00 0.00 36.38 32.87 3a73 s VAL 116 CO 0.23 0.35 1.44 -0.60 -0.31 0.00 0.00 175.10 176.20 3a73 s ARG 117 N 0.33 4.24 1.47 4.82 3.52 -1.26 -5.00 118.95 127.06 3a73 s ARG 117 Ca 0.31 1.94 -0.24 0.00 -0.13 0.00 0.00 55.73 57.61 3a73 s ARG 117 Cb -0.17 -3.76 0.38 0.00 -1.56 0.00 0.00 34.95 29.84 3a73 s ARG 117 CO 0.15 -0.70 0.89 -2.30 -0.81 0.00 0.00 175.30 172.54 3a73 n PRO 118 N 6.30 -4.79 -2.17 5.12 -0.02 -1.26 -4.90 135.00 133.27 3a73 n PRO 118 Ca 0.15 -1.50 -0.35 0.00 -2.02 0.00 0.00 63.50 59.78 3a73 n PRO 118 Cb 0.44 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 32.03 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 -5.13 3.27 0.24 -0.52 0.41 -1.26 -4.83 118.70 110.88 3a73 s GLU 119 Ca 0.68 1.55 -0.06 0.00 -0.41 0.00 0.00 54.97 56.73 3a73 s GLU 119 Cb -0.11 -2.00 0.45 0.00 -1.78 0.00 0.00 34.13 30.68 3a73 s GLU 119 CO 0.56 -0.90 1.67 0.28 -0.49 0.00 0.00 175.26 176.39 3a73 h VAL 120 N 0.98 0.48 -0.89 2.63 2.07 -1.93 -0.09 116.25 119.51 3a73 h VAL 120 Ca -0.49 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.05 3a73 h VAL 120 Cb 1.26 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3a73 h VAL 120 CO 0.56 0.04 0.53 0.44 0.02 0.00 0.00 177.57 179.16 3a73 h ASP 121 N 0.23 0.77 -0.09 0.57 3.45 -1.93 -1.26 116.42 118.17 3a73 h ASP 121 Ca 0.41 0.04 -0.21 0.00 0.43 0.00 0.00 57.03 57.71 3a73 h ASP 121 Cb 0.70 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 3a73 h ASP 121 CO -0.54 0.44 -0.72 0.58 -1.57 0.00 0.00 179.24 177.44 3a73 h VAL 122 N 0.88 1.30 -0.28 -1.35 2.07 -1.44 -2.58 116.25 114.84 3a73 h VAL 122 Ca 0.43 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 3a73 h VAL 122 Cb 0.38 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3a73 h VAL 122 CO -0.24 0.61 0.06 0.24 0.02 0.00 0.00 177.57 178.26 3a73 h MET 123 N 0.51 0.46 0.19 1.57 2.86 -0.62 -1.27 114.93 118.61 3a73 h MET 123 Ca -0.03 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3a73 h MET 123 Cb 1.33 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3a73 h MET 123 CO 0.14 0.55 -0.09 0.00 1.06 0.00 0.00 176.91 178.58 3a73 h THR 125 N -0.33 0.04 -0.11 0.00 2.02 -1.49 0.19 112.91 113.23 3a73 h THR 125 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3a73 h THR 125 Cb 0.26 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3a73 h THR 125 CO 0.04 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.96 3a73 h ALA 126 N 0.82 0.15 -0.71 6.16 0.00 -0.66 -0.92 119.26 124.10 3a73 h ALA 126 Ca 0.23 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3a73 h ALA 126 Cb 0.54 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 3a73 h ALA 126 CO -0.85 -0.23 -0.01 0.35 0.00 0.00 0.00 179.25 178.52 3a73 h PHE 127 N -0.02 -0.08 -0.23 0.00 3.57 0.64 -2.10 116.94 118.73 3a73 h PHE 127 Ca 0.04 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3a73 h PHE 127 Cb 0.24 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3a73 h PHE 127 CO 0.00 -0.22 0.02 1.25 -2.23 0.00 0.00 178.31 177.13 3a73 h HIS 128 N 0.10 0.42 -0.09 0.41 2.76 -0.22 -2.44 115.15 116.09 3a73 h HIS 128 Ca 0.38 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 58.36 3a73 h HIS 128 Cb 0.65 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 3a73 h HIS 128 CO -0.42 0.54 -0.52 -0.44 -1.30 0.00 0.00 177.93 175.79 3a73 h ASP 129 N 0.18 0.26 -0.81 3.26 5.19 -0.78 -3.39 116.42 120.32 3a73 h ASP 129 Ca 0.07 -0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.23 3a73 h ASP 129 Cb 0.36 -0.07 -0.16 0.00 0.18 0.00 0.00 39.33 39.64 3a73 h ASP 129 CO 0.01 0.73 -0.42 -3.20 -3.12 0.00 0.00 179.24 173.25 3a73 n ASN 130 N -3.94 -3.06 -0.33 6.45 4.05 -0.82 -5.03 115.26 112.59 3a73 n ASN 130 Ca -0.02 -2.54 0.16 0.00 0.45 0.00 0.00 54.58 52.62 3a73 n ASN 130 Cb 0.56 1.56 0.38 0.00 1.23 0.00 0.00 39.78 43.51 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 4.81 0.62 0.12 1.20 4.81 -1.58 -2.17 114.58 122.39 3a73 h GLU 131 Ca 0.04 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3a73 h GLU 131 Cb 1.12 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 30.38 3a73 h GLU 131 CO -0.01 0.41 -0.73 0.93 -0.73 0.00 0.00 179.01 178.89 3a73 h GLU 132 N 0.64 0.25 -0.87 1.92 4.39 -1.92 0.02 114.58 119.02 3a73 h GLU 132 Ca 0.57 -0.44 0.10 0.00 0.34 0.00 0.00 59.36 59.93 3a73 h GLU 132 Cb 1.05 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 3a73 h GLU 132 CO -0.34 1.21 0.56 1.15 -1.16 0.00 0.00 179.01 180.43 3a73 h THR 133 N -0.46 0.96 -0.04 1.13 2.02 -1.90 0.73 112.91 115.35 3a73 h THR 133 Ca -0.13 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 3a73 h THR 133 Cb 1.56 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3a73 h THR 133 CO 0.13 0.15 -0.13 0.15 0.37 0.00 0.00 175.52 176.19 3a73 h PHE 134 N 0.85 0.21 -0.11 3.16 3.57 -1.29 -1.60 116.94 121.73 3a73 h PHE 134 Ca 0.40 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3a73 h PHE 134 Cb 0.42 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3a73 h PHE 134 CO -0.00 0.76 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.75 3a73 h LEU 135 N -0.40 0.21 -1.01 0.59 -0.00 -0.66 -3.12 115.31 110.92 3a73 h LEU 135 Ca -0.01 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.55 3a73 h LEU 135 Cb 0.76 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 3a73 h LEU 135 CO 0.03 0.50 0.67 0.11 -0.00 0.00 0.00 178.44 179.75 3a73 h LYS 136 N -0.09 1.31 -0.72 1.13 6.56 0.47 -0.90 116.57 124.34 3a73 h LYS 136 Ca 0.03 -0.08 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 3a73 h LYS 136 Cb 0.40 -0.30 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 3a73 h LYS 136 CO 0.01 0.87 0.25 -0.22 -2.06 0.00 0.00 179.45 178.30 3a73 h LYS 137 N 1.35 1.10 -0.24 3.15 1.63 -1.36 -1.20 116.57 121.01 3a73 h LYS 137 Ca 0.37 -0.22 -0.16 0.00 -0.85 0.00 0.00 60.65 59.79 3a73 h LYS 137 Cb -0.14 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.32 3a73 h LYS 137 CO -0.09 0.93 -0.50 1.88 -3.45 0.00 0.00 179.45 178.22 3a73 h TYR 138 N 1.05 0.81 -0.59 1.91 -1.99 -1.36 0.28 116.97 117.08 3a73 h TYR 138 Ca 0.24 -0.27 0.07 0.00 2.00 0.00 0.00 58.73 60.77 3a73 h TYR 138 Cb 0.27 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.78 3a73 h TYR 138 CO 0.02 1.02 0.27 1.25 -0.00 0.00 0.00 178.16 180.72 3a73 h LEU 139 N 0.51 0.33 -0.35 3.88 5.85 -0.92 0.66 115.31 125.28 3a73 h LEU 139 Ca 0.02 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3a73 h LEU 139 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3a73 h LEU 139 CO 0.10 0.21 0.20 0.22 -0.34 0.00 0.00 178.44 178.83 3a73 h TYR 140 N 0.49 0.38 -0.33 1.25 5.03 -0.78 0.20 116.97 123.21 3a73 h TYR 140 Ca 0.28 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 3a73 h TYR 140 Cb 0.28 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 3a73 h TYR 140 CO -0.13 0.22 0.18 0.93 -1.32 0.00 0.00 178.16 178.04 3a73 h GLU 141 N 0.41 0.46 -0.45 1.82 4.39 -0.04 -1.57 114.58 119.59 3a73 h GLU 141 Ca 0.14 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3a73 h GLU 141 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3a73 h GLU 141 CO -0.06 0.38 -0.24 0.82 -1.16 0.00 0.00 179.01 178.75 3a73 h ILE 142 N 0.41 1.27 -0.38 3.13 2.04 -0.65 -2.85 117.51 120.48 3a73 h ILE 142 Ca 0.12 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 3a73 h ILE 142 Cb 0.06 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3a73 h ILE 142 CO -0.02 0.48 -0.23 0.00 0.00 0.00 0.00 178.15 178.38 3a73 h ALA 143 N 0.90 0.89 0.00 1.87 0.00 -0.46 0.13 119.26 122.60 3a73 h ALA 143 Ca 0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3a73 h ALA 143 Cb 0.81 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3a73 h ALA 143 CO 0.07 0.63 -0.14 0.07 0.00 0.00 0.00 179.25 179.88 3a73 h ARG 144 N 0.65 0.00 0.00 0.00 0.11 -1.27 -2.46 114.38 111.41 3a73 h ARG 144 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 3a73 h ARG 144 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3a73 h ARG 144 CO 0.06 0.14 -0.57 0.00 0.10 0.00 0.00 179.97 179.69 3a73 h ARG 145 N 0.00 0.00 -2.14 0.08 3.08 -1.18 -3.40 114.38 110.82 3a73 h ARG 145 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.47 3a73 h ARG 145 Cb 1.01 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.65 3a73 h ARG 145 CO 0.02 0.00 -0.80 0.72 -1.07 0.00 0.00 179.97 178.84 3a73 n HIS 146 N -2.27 2.33 0.50 3.04 8.25 0.41 -4.91 115.22 122.56 3a73 n HIS 146 Ca 0.03 -3.94 0.10 0.00 -0.26 0.00 0.00 57.72 53.65 3a73 n HIS 146 Cb 0.46 -0.48 0.40 0.00 1.12 0.00 0.00 29.99 31.50 3a73 n HIS 146 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3a73 n PRO 147 N 0.69 0.09 0.00 -0.41 -0.04 -1.20 -1.48 135.00 132.65 3a73 n PRO 147 Ca 0.27 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 3a73 n PRO 147 Cb 0.47 -1.66 0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3a73 n PRO 147 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a73 n TYR 148 N -1.82 0.00 -2.03 0.54 4.01 -1.26 -4.90 117.16 111.71 3a73 n TYR 148 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3a73 n TYR 148 Cb 0.21 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.28 2.89 0.10 -0.72 2.19 -0.55 -4.86 117.98 114.75 3a73 s PHE 149 Ca 0.23 0.64 -0.31 0.00 0.33 0.00 0.00 56.93 57.82 3a73 s PHE 149 Cb 0.19 -3.84 -0.09 0.00 -1.31 0.00 0.00 43.02 37.97 3a73 s PHE 149 CO 0.46 -3.17 1.63 -0.47 1.83 0.00 0.00 175.22 175.49 3a73 s TYR 150 N 1.74 2.62 0.22 10.12 6.04 -1.26 -4.86 117.35 131.97 3a73 s TYR 150 Ca 0.69 0.41 -0.08 0.00 0.04 0.00 0.00 57.07 58.14 3a73 s TYR 150 Cb -0.39 -3.95 0.28 0.00 -1.04 0.00 0.00 41.96 36.86 3a73 s TYR 150 CO 0.31 -3.73 1.83 0.00 -1.54 0.00 0.00 175.55 172.42 3a73 h ALA 151 N 7.86 1.03 -0.18 3.97 0.00 -1.96 -2.04 119.26 127.93 3a73 h ALA 151 Ca -0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3a73 h ALA 151 Cb 1.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3a73 h ALA 151 CO 0.92 0.16 0.07 -1.35 0.00 0.00 0.00 179.25 179.06 3a73 h PRO 152 N 0.82 0.24 -0.28 0.00 0.11 -1.95 -1.42 132.00 129.52 3a73 h PRO 152 Ca 0.33 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.28 3a73 h PRO 152 Cb 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3a73 h PRO 152 CO -0.17 0.21 -0.41 0.93 -0.21 0.00 0.00 178.00 178.35 3a73 h GLU 153 N 0.25 0.68 -0.25 1.05 5.08 -1.74 -0.07 114.58 119.58 3a73 h GLU 153 Ca 0.06 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 3a73 h GLU 153 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3a73 h GLU 153 CO -0.01 0.96 -0.15 1.25 -1.00 0.00 0.00 179.01 180.07 3a73 h LEU 154 N 0.56 0.40 -0.16 1.33 6.46 -1.30 -1.79 115.31 120.81 3a73 h LEU 154 Ca 0.05 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 3a73 h LEU 154 Cb 0.94 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 3a73 h LEU 154 CO 0.09 0.58 -0.30 0.25 -0.62 0.00 0.00 178.44 178.43 3a73 h LEU 155 N 0.39 0.54 -1.10 2.25 5.85 -0.86 -1.99 115.31 120.40 3a73 h LEU 155 Ca 0.07 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.36 3a73 h LEU 155 Cb 0.49 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3a73 h LEU 155 CO 0.03 0.99 0.61 0.15 -0.34 0.00 0.00 178.44 179.88 3a73 h PHE 156 N 0.12 1.05 -0.21 1.25 3.04 -0.68 -1.85 116.94 119.67 3a73 h PHE 156 Ca 0.01 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 3a73 h PHE 156 Cb 0.89 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 3a73 h PHE 156 CO 0.10 0.43 -0.19 0.74 -2.02 0.00 0.00 178.31 177.36 3a73 h PHE 157 N 0.93 0.60 -0.89 0.41 0.04 -1.21 -2.90 116.94 113.92 3a73 h PHE 157 Ca 0.47 -0.17 0.19 0.00 2.80 0.00 0.00 57.97 61.25 3a73 h PHE 157 Cb 0.51 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.46 3a73 h PHE 157 CO -0.00 0.84 0.58 0.00 -0.60 0.00 0.00 178.31 179.13 3a73 h ALA 158 N 0.66 2.10 -0.01 2.45 0.00 -0.68 0.44 119.26 124.22 3a73 h ALA 158 Ca 0.04 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3a73 h ALA 158 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3a73 h ALA 158 CO 0.05 -0.38 -0.70 0.87 0.00 0.00 0.00 179.25 179.10 3a73 h LYS 159 N 0.47 0.04 -0.52 0.00 1.57 -1.22 -1.04 116.57 115.86 3a73 h LYS 159 Ca 0.46 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.10 3a73 h LYS 159 Cb 1.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3a73 h LYS 159 CO -0.19 0.72 -0.11 0.00 -0.57 0.00 0.00 179.45 179.30 3a73 h ARG 160 N 0.02 0.98 -0.32 3.15 3.08 0.04 -0.20 114.38 121.13 3a73 h ARG 160 Ca -0.01 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 3a73 h ARG 160 Cb 1.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3a73 h ARG 160 CO 0.09 1.03 0.10 1.88 -1.07 0.00 0.00 179.97 182.00 3a73 h TYR 161 N 0.88 0.52 -0.24 3.04 -1.99 -1.12 -2.12 116.97 115.93 3a73 h TYR 161 Ca 0.14 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.86 3a73 h TYR 161 Cb 0.66 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.20 3a73 h TYR 161 CO 0.04 0.53 -0.01 -0.22 -0.00 0.00 0.00 178.16 178.50 3a73 h LYS 162 N 0.36 0.06 -0.58 4.88 3.64 -1.05 -1.47 116.57 122.41 3a73 h LYS 162 Ca 0.10 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3a73 h LYS 162 Cb 0.25 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 3a73 h LYS 162 CO -0.00 0.04 0.03 0.00 -2.27 0.00 0.00 179.45 177.25 3a73 h ALA 163 N 1.21 0.60 -0.24 5.00 0.00 -0.90 -2.84 119.26 122.09 3a73 h ALA 163 Ca 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3a73 h ALA 163 Cb 0.15 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3a73 h ALA 163 CO -0.20 -0.37 -0.17 0.00 0.00 0.00 0.00 179.25 178.50 3a73 h ALA 164 N 1.51 1.26 -0.17 0.00 0.00 -0.60 -2.31 119.26 118.95 3a73 h ALA 164 Ca 0.30 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3a73 h ALA 164 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3a73 h ALA 164 CO -0.47 0.49 -0.61 0.74 0.00 0.00 0.00 179.25 179.40 3a73 h PHE 165 N 0.38 0.74 0.01 0.00 0.04 -1.11 -1.33 116.94 115.67 3a73 h PHE 165 Ca 0.07 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.56 3a73 h PHE 165 Cb 0.53 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3a73 h PHE 165 CO 0.01 1.04 -0.03 1.15 -0.60 0.00 0.00 178.31 179.88 3a73 h THR 166 N 0.43 0.00 -0.40 -1.55 2.02 -1.26 -0.50 112.91 111.65 3a73 h THR 166 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3a73 h THR 166 Cb 1.17 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3a73 h THR 166 CO 0.12 0.00 -0.24 1.21 0.37 0.00 0.00 175.52 176.98 3a73 n GLU 167 N -2.59 -0.18 0.06 6.66 4.07 -0.91 -3.42 120.64 124.33 3a73 n GLU 167 Ca -0.00 0.91 0.06 0.00 -0.06 0.00 0.00 57.16 58.06 3a73 n GLU 167 Cb 0.02 -1.34 -0.06 0.00 -0.06 0.00 0.00 31.44 30.00 3a73 n GLU 167 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3a73 n GLN 170 N 1.47 0.00 -0.14 0.00 6.02 -1.26 -5.03 117.38 118.45 3a73 n GLN 170 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3a73 n GLN 170 Cb 0.42 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3a73 n GLN 170 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a73 n ALA 171 N -0.94 0.00 -0.21 -1.58 0.00 -1.20 -4.98 120.51 111.60 3a73 n ALA 171 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3a73 n ALA 171 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 3a73 n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a73 h ALA 172 N -1.57 0.81 -3.28 0.00 0.00 -2.00 -3.40 119.26 109.82 3a73 h ALA 172 Ca 0.00 0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.54 3a73 h ALA 172 Cb 0.00 0.15 -0.36 0.00 0.00 0.00 0.00 17.79 17.58 3a73 h ALA 172 CO 0.00 -0.27 -0.80 0.34 0.00 0.00 0.00 179.25 178.52 3a73 s ASP 173 N -5.32 1.84 -0.08 0.00 -1.08 -1.26 -5.01 116.67 105.77 3a73 s ASP 173 Ca -0.13 -0.25 0.07 0.00 -0.52 0.00 0.00 52.55 51.72 3a73 s ASP 173 Cb 0.18 -0.73 0.34 0.00 -1.46 0.00 0.00 42.92 41.26 3a73 s ASP 173 CO 0.75 -0.09 1.08 0.29 0.52 0.00 0.00 175.17 177.72 3a73 n LYS 174 N 4.62 2.48 0.00 4.34 5.02 -1.26 -3.57 118.16 129.79 3a73 n LYS 174 Ca -0.15 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 3a73 n LYS 174 Cb 0.50 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3a73 n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a73 n ALA 175 N 0.31 1.94 0.84 7.82 0.00 -1.26 -4.23 120.51 125.92 3a73 n ALA 175 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 3a73 n ALA 175 Cb 0.58 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.12 3a73 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a73 n ALA 176 N -1.30 2.46 -0.04 0.00 0.00 -1.23 -3.62 120.51 116.78 3a73 n ALA 176 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 3a73 n ALA 176 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3a73 n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a73 h LEU 178 N -0.33 0.00 -0.90 0.00 6.46 -1.76 -3.33 115.31 115.45 3a73 h LEU 178 Ca -0.21 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.78 3a73 h LEU 178 Cb 1.10 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.87 3a73 h LEU 178 CO -0.12 0.39 0.01 -0.07 -0.62 0.00 0.00 178.44 178.02 3a73 h LEU 179 N -0.74 -0.45 -0.36 2.25 -0.00 -1.78 0.38 115.31 114.61 3a73 h LEU 179 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 3a73 h LEU 179 Cb 0.04 0.44 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 3a73 h LEU 179 CO 0.00 -0.28 0.00 1.55 -0.00 0.00 0.00 178.44 179.71 3a73 h PRO 180 N 0.05 0.00 0.04 1.13 0.13 -1.80 -0.36 132.00 131.18 3a73 h PRO 180 Ca 0.52 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.65 3a73 h PRO 180 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3a73 h PRO 180 CO -0.83 0.00 -0.02 0.87 -0.23 0.00 0.00 178.00 177.79 3a73 h LYS 181 N 0.00 -0.05 -0.85 0.86 1.57 -0.40 -2.49 116.57 115.22 3a73 h LYS 181 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3a73 h LYS 181 Cb 0.62 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 3a73 h LYS 181 CO 0.00 0.61 0.52 -0.07 -0.57 0.00 0.00 179.45 179.94 3a73 h LEU 182 N -0.90 0.79 -0.40 2.94 3.38 -1.18 0.41 115.31 120.36 3a73 h LEU 182 Ca -0.01 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3a73 h LEU 182 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3a73 h LEU 182 CO 0.01 0.50 0.02 0.44 0.09 0.00 0.00 178.44 179.50 3a73 h ASP 183 N 0.92 0.67 -0.69 -0.43 3.45 -1.17 0.21 116.42 119.37 3a73 h ASP 183 Ca 0.38 -0.29 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 3a73 h ASP 183 Cb 0.22 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3a73 h ASP 183 CO -0.19 0.80 0.27 -0.08 -1.57 0.00 0.00 179.24 178.47 3a73 h GLU 184 N 0.53 1.04 -0.81 3.56 4.81 -0.89 -2.41 114.58 120.41 3a73 h GLU 184 Ca 0.12 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3a73 h GLU 184 Cb 0.44 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3a73 h GLU 184 CO 0.02 0.87 0.41 -0.07 -0.73 0.00 0.00 179.01 179.50 3a73 h LEU 185 N 0.99 1.04 0.51 1.64 4.07 0.00 -2.32 115.31 121.24 3a73 h LEU 185 Ca 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 3a73 h LEU 185 Cb 0.22 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.70 3a73 h LEU 185 CO -0.02 0.86 -0.24 -0.09 -1.08 0.00 0.00 178.44 177.87 3a73 h ARG 186 N 1.15 -0.66 -1.01 1.13 2.43 -0.69 0.23 114.38 116.95 3a73 h ARG 186 Ca 0.28 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.62 3a73 h ARG 186 Cb 0.09 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 3a73 h ARG 186 CO -0.04 -0.38 0.63 -0.44 -1.51 0.00 0.00 179.97 178.23 3a73 h ASP 187 N -0.82 0.93 -0.19 -3.80 3.32 -1.45 0.15 116.42 114.56 3a73 h ASP 187 Ca -0.07 0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 3a73 h ASP 187 Cb 0.58 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.00 3a73 h ASP 187 CO 0.11 0.49 -0.69 -0.08 -1.72 0.00 0.00 179.24 177.35 3a73 h GLU 188 N 1.00 0.81 -0.17 3.56 4.22 -1.31 -0.16 114.58 122.53 3a73 h GLU 188 Ca 0.50 -0.62 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 3a73 h GLU 188 Cb 0.49 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3a73 h GLU 188 CO -0.27 1.23 0.04 0.78 -2.18 0.00 0.00 179.01 178.61 3a73 h GLY 189 N 0.56 0.29 -0.98 1.92 0.00 0.06 -0.83 103.07 104.09 3a73 h GLY 189 Ca -0.03 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.22 3a73 h GLY 189 CO 0.15 0.17 -0.53 1.17 0.00 0.00 0.00 176.54 177.50 3a73 n LYS 190 N -4.80 -0.38 -0.08 4.80 4.81 0.45 -1.60 118.16 121.36 3a73 n LYS 190 Ca -0.05 1.48 -0.07 0.00 -0.87 0.00 0.00 58.31 58.81 3a73 n LYS 190 Cb 0.16 -2.19 -0.00 0.00 0.02 0.00 0.00 35.03 33.03 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 0.72 0.29 -0.66 3.14 0.00 -0.78 -0.53 119.26 121.43 3a73 h ALA 191 Ca 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3a73 h ALA 191 Cb 0.45 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3a73 h ALA 191 CO -0.93 -0.37 0.38 1.03 0.00 0.00 0.00 179.25 179.35 3a73 h SER 192 N 0.14 0.81 -0.12 0.00 0.87 -0.42 0.95 113.55 115.78 3a73 h SER 192 Ca 0.14 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3a73 h SER 192 Cb 0.16 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3a73 h SER 192 CO -0.20 0.65 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.39 3a73 h SER 193 N 0.90 0.28 -0.50 6.23 0.87 -1.14 -2.49 113.55 117.70 3a73 h SER 193 Ca 0.24 -0.44 0.03 0.00 -1.23 0.00 0.00 61.79 60.38 3a73 h SER 193 Cb 0.01 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3a73 h SER 193 CO -0.04 0.66 0.33 0.00 -0.53 0.00 0.00 176.83 177.25 3a73 h ALA 194 N 0.63 1.77 -0.61 6.23 0.00 -0.82 -2.60 119.26 123.85 3a73 h ALA 194 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3a73 h ALA 194 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3a73 h ALA 194 CO 0.02 0.18 0.12 -0.22 0.00 0.00 0.00 179.25 179.35 3a73 h LYS 195 N 0.56 0.97 -0.31 0.00 3.64 -0.75 -1.74 116.57 118.94 3a73 h LYS 195 Ca 0.20 -0.23 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3a73 h LYS 195 Cb 0.10 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3a73 h LYS 195 CO -0.05 0.88 -0.47 1.96 -2.27 0.00 0.00 179.45 179.50 3a73 h GLN 196 N 0.92 0.87 -0.10 1.90 4.20 -1.05 -2.05 115.11 119.80 3a73 h GLN 196 Ca 0.19 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 3a73 h GLN 196 Cb 0.37 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3a73 h GLN 196 CO 0.00 1.16 -0.08 0.00 -0.67 0.00 0.00 178.83 179.24 3a73 h ARG 197 N 0.66 0.15 -0.20 1.46 2.47 -1.47 -2.62 114.38 114.83 3a73 h ARG 197 Ca 0.03 -0.03 -0.18 0.00 -1.26 0.00 0.00 59.98 58.55 3a73 h ARG 197 Cb 1.07 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3a73 h ARG 197 CO 0.11 0.25 -0.59 1.25 0.56 0.00 0.00 179.97 181.54 3a73 h LEU 198 N 0.15 0.76 0.66 3.04 5.85 -0.87 -0.92 115.31 123.98 3a73 h LEU 198 Ca 0.03 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 3a73 h LEU 198 Cb 0.25 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.07 3a73 h LEU 198 CO 0.01 1.18 -0.32 0.11 -0.34 0.00 0.00 178.44 179.08 3a73 h LYS 199 N 0.50 -0.86 -0.69 1.25 1.79 -1.16 -1.31 116.57 116.10 3a73 h LYS 199 Ca -0.00 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.57 3a73 h LYS 199 Cb 1.17 0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 31.97 3a73 h LYS 199 CO 0.12 -0.55 0.41 0.00 -1.08 0.00 0.00 179.45 178.35 3a73 h ALA 201 N 1.33 0.99 -0.55 0.00 0.00 -1.16 -3.16 119.26 116.72 3a73 h ALA 201 Ca 0.29 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3a73 h ALA 201 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3a73 h ALA 201 CO -0.15 0.69 0.12 0.77 0.00 0.00 0.00 179.25 180.68 3a73 h SER 202 N 0.10 0.80 -0.50 0.00 0.02 -1.03 -1.79 113.55 111.15 3a73 h SER 202 Ca -0.00 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 3a73 h SER 202 Cb 1.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3a73 h SER 202 CO 0.08 0.80 -0.03 0.25 -1.14 0.00 0.00 176.83 176.78 3a73 h LEU 203 N 0.82 0.90 0.90 5.07 5.85 -1.43 -0.58 115.31 126.83 3a73 h LEU 203 Ca 0.18 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3a73 h LEU 203 Cb 0.32 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.12 3a73 h LEU 203 CO 0.00 1.01 -0.43 -0.61 -0.34 0.00 0.00 178.44 178.06 3a73 h GLN 204 N 0.77 -1.17 0.59 1.25 5.75 -1.49 -2.33 115.11 118.49 3a73 h GLN 204 Ca 0.14 0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3a73 h GLN 204 Cb 0.56 0.27 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 3a73 h GLN 204 CO 0.03 -0.78 -0.36 0.87 -2.65 0.00 0.00 178.83 175.94 3a73 h LYS 205 N -1.25 -0.87 0.00 1.69 1.57 -1.35 -3.35 116.57 113.02 3a73 h LYS 205 Ca -0.12 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3a73 h LYS 205 Cb 0.93 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3a73 h LYS 205 CO 0.20 -0.58 -1.20 1.19 -0.57 0.00 0.00 179.45 178.49 3a73 n PHE 206 N -5.50 0.63 0.00 -1.35 0.99 -0.23 -5.07 117.46 106.93 3a73 n PHE 206 Ca -0.13 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3a73 n PHE 206 Cb 0.39 -0.76 0.00 0.00 -1.00 0.00 0.00 39.48 38.11 3a73 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a73 n GLY 207 N 1.24 0.52 0.24 1.37 0.00 -0.87 -4.24 105.19 103.44 3a73 n GLY 207 Ca -0.00 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 0.00 0.35 1.61 4.81 -1.93 -2.05 114.58 117.37 3a73 h GLU 208 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3a73 h GLU 208 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3a73 h GLU 208 CO 0.00 0.12 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.14 3a73 h ARG 209 N 0.00 -0.46 -0.91 1.92 2.43 -1.96 -0.56 114.38 114.84 3a73 h ARG 209 Ca -0.00 0.03 0.25 0.00 -0.81 0.00 0.00 59.98 59.45 3a73 h ARG 209 Cb 0.22 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 29.71 3a73 h ARG 209 CO 0.02 -0.16 0.14 0.00 -1.51 0.00 0.00 179.97 178.46 3a73 h ALA 210 N -0.69 1.23 -0.86 2.80 0.00 -1.69 -0.33 119.26 119.72 3a73 h ALA 210 Ca -0.05 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3a73 h ALA 210 Cb 0.51 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3a73 h ALA 210 CO 0.08 -0.54 0.44 0.35 0.00 0.00 0.00 179.25 179.59 3a73 h PHE 211 N 0.10 1.21 -0.17 0.00 3.57 -1.16 -2.42 116.94 118.08 3a73 h PHE 211 Ca 0.57 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.85 3a73 h PHE 211 Cb 1.19 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.55 3a73 h PHE 211 CO -0.36 0.86 -0.60 0.87 -2.23 0.00 0.00 178.31 176.84 3a73 h LYS 212 N 1.22 0.71 -0.63 1.11 1.57 0.55 -1.80 116.57 119.30 3a73 h LYS 212 Ca 0.30 -0.54 0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3a73 h LYS 212 Cb 0.07 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 3a73 h LYS 212 CO -0.04 1.15 0.22 0.00 -0.57 0.00 0.00 179.45 180.22 3a73 h ALA 213 N 0.56 0.82 0.30 3.86 0.00 -1.17 0.21 119.26 123.83 3a73 h ALA 213 Ca -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a73 h ALA 213 Cb 1.23 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3a73 h ALA 213 CO 0.13 -0.21 -0.18 2.35 0.00 0.00 0.00 179.25 181.34 3a73 h TRP 214 N 0.39 -0.46 -0.91 0.00 7.01 -1.12 -1.29 115.95 119.58 3a73 h TRP 214 Ca 0.32 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.33 3a73 h TRP 214 Cb 0.43 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 3a73 h TRP 214 CO -0.18 -0.28 0.60 0.00 -2.79 0.00 0.00 178.44 175.79 3a73 h ALA 215 N 0.23 1.34 -0.54 2.65 0.00 -1.03 0.22 119.26 122.13 3a73 h ALA 215 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a73 h ALA 215 Cb 0.37 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3a73 h ALA 215 CO 0.04 0.61 0.33 0.28 0.00 0.00 0.00 179.25 180.51 3a73 h VAL 216 N 1.23 1.08 -0.16 0.00 2.07 -0.22 0.15 116.25 120.40 3a73 h VAL 216 Ca 0.33 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3a73 h VAL 216 Cb -0.13 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3a73 h VAL 216 CO -0.07 0.12 0.03 0.00 0.02 0.00 0.00 177.57 177.67 3a73 h ALA 217 N 1.23 0.21 -0.08 1.67 0.00 -0.33 -0.92 119.26 121.04 3a73 h ALA 217 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a73 h ALA 217 Cb -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a73 h ALA 217 CO -0.08 -0.13 0.03 -0.09 0.00 0.00 0.00 179.25 178.98 3a73 h ARG 218 N 0.05 0.11 -0.20 0.00 9.65 -0.23 -1.67 114.38 122.10 3a73 h ARG 218 Ca 0.05 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.81 3a73 h ARG 218 Cb 0.29 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 3a73 h ARG 218 CO 0.00 0.25 -0.31 -0.07 2.80 0.00 0.00 179.97 182.64 3a73 h LEU 219 N -0.04 0.41 -0.78 3.80 3.38 -0.96 -1.42 115.31 119.70 3a73 h LEU 219 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3a73 h LEU 219 Cb 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3a73 h LEU 219 CO -0.00 0.70 0.45 0.28 0.09 0.00 0.00 178.44 179.96 3a73 h SER 220 N 0.35 0.96 -0.60 -0.43 0.02 -0.99 0.24 113.55 113.10 3a73 h SER 220 Ca 0.05 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3a73 h SER 220 Cb 0.72 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3a73 h SER 220 CO 0.06 0.76 0.35 1.56 -1.14 0.00 0.00 176.83 178.42 3a73 h GLN 221 N 1.08 0.66 -0.43 3.45 4.20 -1.01 -2.68 115.11 120.38 3a73 h GLN 221 Ca 0.28 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.86 3a73 h GLN 221 Cb -0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3a73 h GLN 221 CO -0.05 0.44 -0.08 0.00 -0.67 0.00 0.00 178.83 178.47 3a73 h ARG 222 N 0.68 0.81 -1.88 1.46 2.47 -0.63 -3.38 114.38 113.91 3a73 h ARG 222 Ca 0.25 -0.30 -0.55 0.00 -1.26 0.00 0.00 59.98 58.13 3a73 h ARG 222 Cb 0.07 -0.05 -0.41 0.00 -1.65 0.00 0.00 29.97 27.93 3a73 h ARG 222 CO -0.13 0.91 -0.82 1.19 0.56 0.00 0.00 179.97 181.69 3a73 n PHE 223 N -4.33 2.95 0.23 3.04 0.99 0.78 -1.72 117.46 119.41 3a73 n PHE 223 Ca -0.01 -3.59 0.16 0.00 -0.00 0.00 0.00 57.45 54.01 3a73 n PHE 223 Cb 0.35 -0.35 0.83 0.00 -1.00 0.00 0.00 39.48 39.32 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 2.87 0.00 0.00 -1.08 0.13 -1.65 0.83 132.00 133.09 3a73 h PRO 224 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3a73 h PRO 224 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3a73 h PRO 224 CO 0.74 0.00 -0.56 0.87 -0.23 0.00 0.00 178.00 178.83 3a73 h LYS 225 N 0.00 0.00 -6.99 0.86 1.57 -1.82 -3.43 116.57 106.76 3a73 h LYS 225 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3a73 h LYS 225 Cb 0.01 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.43 3a73 h LYS 225 CO 0.00 0.00 0.63 0.00 -0.57 0.00 0.00 179.45 179.51 3a73 s ALA 226 N -3.26 3.13 0.51 3.86 0.00 0.28 -4.92 121.76 121.36 3a73 s ALA 226 Ca 0.04 1.30 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 3a73 s ALA 226 Cb 0.09 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 3a73 s ALA 226 CO 0.73 -1.05 1.21 -1.21 0.00 0.00 0.00 175.76 175.44 3a73 s GLU 227 N -2.50 3.43 0.33 0.00 2.02 -1.26 -4.84 118.70 115.88 3a73 s GLU 227 Ca 0.62 1.87 0.10 0.00 0.02 0.00 0.00 54.97 57.58 3a73 s GLU 227 Cb -0.39 -2.24 0.89 0.00 0.10 0.00 0.00 34.13 32.48 3a73 s GLU 227 CO 0.50 -0.84 1.75 0.35 0.02 0.00 0.00 175.26 177.03 3a73 h PHE 228 N 1.61 0.96 -0.66 1.61 3.04 -1.98 0.46 116.94 121.99 3a73 h PHE 228 Ca -0.50 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.40 3a73 h PHE 228 Cb 1.27 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 39.47 3a73 h PHE 228 CO 0.50 0.11 0.08 0.00 -2.02 0.00 0.00 178.31 176.98 3a73 h ALA 229 N 1.69 0.88 -0.43 2.41 0.00 -1.99 0.78 119.26 122.60 3a73 h ALA 229 Ca 0.61 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3a73 h ALA 229 Cb 1.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3a73 h ALA 229 CO -0.41 0.67 -0.17 1.49 0.00 0.00 0.00 179.25 180.83 3a73 h GLU 230 N 1.03 0.82 -0.53 0.00 4.57 -1.44 -1.32 114.58 117.71 3a73 h GLU 230 Ca 0.20 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3a73 h GLU 230 Cb 0.48 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3a73 h GLU 230 CO 0.02 0.93 0.15 0.28 -1.18 0.00 0.00 179.01 179.22 3a73 h VAL 231 N 0.73 1.24 -0.67 0.32 2.07 -0.38 -1.94 116.25 117.61 3a73 h VAL 231 Ca 0.11 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 3a73 h VAL 231 Cb 0.69 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3a73 h VAL 231 CO 0.05 0.30 0.13 -1.28 0.02 0.00 0.00 177.57 176.79 3a73 h SER 232 N 0.74 1.05 -0.13 0.57 0.87 -0.81 -0.02 113.55 115.82 3a73 h SER 232 Ca 0.17 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3a73 h SER 232 Cb 0.30 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3a73 h SER 232 CO -0.00 1.03 0.07 0.50 -0.53 0.00 0.00 176.83 177.90 3a73 h LYS 233 N 1.02 0.18 -0.84 2.24 3.11 -1.13 -1.40 116.57 119.76 3a73 h LYS 233 Ca 0.21 -0.02 0.15 0.00 -2.81 0.00 0.00 60.65 58.18 3a73 h LYS 233 Cb 0.42 -0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 31.52 3a73 h LYS 233 CO 0.01 0.20 0.41 -0.07 -2.81 0.00 0.00 179.45 177.19 3a73 h LEU 234 N 0.12 0.47 -0.56 5.20 3.38 -1.13 -1.97 115.31 120.81 3a73 h LEU 234 Ca 0.05 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3a73 h LEU 234 Cb 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3a73 h LEU 234 CO -0.01 0.18 -0.72 -0.37 0.09 0.00 0.00 178.44 177.62 3a73 h VAL 235 N 0.57 1.51 -0.52 1.22 -1.51 -0.73 0.34 116.25 117.14 3a73 h VAL 235 Ca 0.47 -2.46 -0.05 0.00 -1.23 0.00 0.00 66.70 63.43 3a73 h VAL 235 Cb 0.69 2.32 -0.02 0.00 -2.13 0.00 0.00 31.29 32.15 3a73 h VAL 235 CO -0.39 0.70 0.11 0.74 -1.23 0.00 0.00 177.57 177.51 3a73 h THR 236 N 0.00 1.24 -0.18 7.19 2.02 -0.92 -0.44 112.91 121.82 3a73 h THR 236 Ca -0.01 -0.88 -0.20 0.00 0.77 0.00 0.00 66.41 66.09 3a73 h THR 236 Cb 1.27 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3a73 h THR 236 CO 0.09 0.32 -0.69 0.44 0.37 0.00 0.00 175.52 176.05 3a73 h ASP 237 N 0.72 0.86 -0.75 4.18 3.45 -1.18 -2.74 116.42 120.97 3a73 h ASP 237 Ca 0.16 -0.53 -0.04 0.00 0.43 0.00 0.00 57.03 57.05 3a73 h ASP 237 Cb 0.35 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 3a73 h ASP 237 CO 0.00 1.31 0.31 0.25 -1.57 0.00 0.00 179.24 179.55 3a73 h LEU 238 N 0.53 1.03 -0.29 1.55 6.46 -0.92 -0.52 115.31 123.15 3a73 h LEU 238 Ca -0.03 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3a73 h LEU 238 Cb 1.30 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 3a73 h LEU 238 CO 0.14 0.91 0.15 0.74 -0.62 0.00 0.00 178.44 179.76 3a73 h THR 239 N 1.08 1.00 -0.59 1.05 2.02 -1.04 0.05 112.91 116.49 3a73 h THR 239 Ca 0.25 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 3a73 h THR 239 Cb 0.19 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3a73 h THR 239 CO -0.02 0.06 0.07 0.50 0.37 0.00 0.00 175.52 176.50 3a73 h LYS 240 N 0.32 0.97 0.22 6.66 3.64 -1.28 -0.21 116.57 126.89 3a73 h LYS 240 Ca 0.12 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3a73 h LYS 240 Cb 0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3a73 h LYS 240 CO -0.07 0.91 -0.10 0.28 -2.27 0.00 0.00 179.45 178.20 3a73 h VAL 241 N 0.91 0.85 -0.74 2.00 2.07 -0.56 -0.89 116.25 119.88 3a73 h VAL 241 Ca 0.18 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.48 3a73 h VAL 241 Cb 0.43 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3a73 h VAL 241 CO 0.01 0.08 0.33 -0.74 0.02 0.00 0.00 177.57 177.27 3a73 h HIS 242 N -0.47 0.57 -0.47 1.57 -0.00 -0.95 0.64 115.15 116.05 3a73 h HIS 242 Ca -0.03 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.31 3a73 h HIS 242 Cb 0.35 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 3a73 h HIS 242 CO -0.01 0.13 0.02 1.15 -0.00 0.00 0.00 177.93 179.21 3a73 h THR 243 N 0.51 1.23 0.16 6.26 2.02 -0.71 0.52 112.91 122.90 3a73 h THR 243 Ca 0.39 -0.95 -0.27 0.00 0.77 0.00 0.00 66.41 66.35 3a73 h THR 243 Cb 0.54 0.85 0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3a73 h THR 243 CO -0.35 0.34 -1.17 -0.33 0.37 0.00 0.00 175.52 174.38 3a73 h GLU 244 N 0.72 0.51 -0.79 6.66 4.39 0.58 -2.82 114.58 123.83 3a73 h GLU 244 Ca 0.15 -0.76 -0.00 0.00 0.34 0.00 0.00 59.36 59.08 3a73 h GLU 244 Cb 0.41 0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 3a73 h GLU 244 CO 0.01 1.35 0.48 0.00 -1.16 0.00 0.00 179.01 179.69 3a73 h HIS 247 N 0.39 0.00 0.00 0.00 6.17 -1.08 -3.47 115.15 117.17 3a73 h HIS 247 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.16 3a73 h HIS 247 Cb 0.35 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.28 3a73 h HIS 247 CO 0.01 0.02 0.00 0.41 0.71 0.00 0.00 177.93 179.08 3a73 n GLY 248 N -1.12 0.42 3.59 5.26 0.00 0.11 -5.04 105.19 108.41 3a73 n GLY 248 Ca -0.03 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 -2.22 6.49 0.14 1.61 -1.08 -1.26 -4.93 116.67 115.42 3a73 s ASP 249 Ca 0.00 0.47 -0.29 0.00 -0.52 0.00 0.00 52.55 52.21 3a73 s ASP 249 Cb 0.00 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 3a73 s ASP 249 CO 0.00 -1.37 1.57 0.25 0.52 0.00 0.00 175.17 176.14 3a73 h LEU 250 N 11.73 -1.44 -0.61 -1.34 5.85 -1.95 -1.21 115.31 126.34 3a73 h LEU 250 Ca -0.25 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3a73 h LEU 250 Cb 1.07 0.60 -0.07 0.00 0.37 0.00 0.00 40.66 42.64 3a73 h LEU 250 CO 1.13 -0.41 0.26 -0.07 -0.34 0.00 0.00 178.44 179.02 3a73 h LEU 251 N -0.42 0.31 -0.55 2.25 3.38 -1.99 -0.03 115.31 118.26 3a73 h LEU 251 Ca 0.10 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3a73 h LEU 251 Cb 0.61 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3a73 h LEU 251 CO -0.49 0.19 0.24 -0.33 0.09 0.00 0.00 178.44 178.14 3a73 h GLU 252 N 0.47 0.82 -0.26 1.13 4.39 -1.88 0.14 114.58 119.38 3a73 h GLU 252 Ca 0.30 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3a73 h GLU 252 Cb 0.32 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3a73 h GLU 252 CO -0.26 0.69 0.15 0.00 -1.16 0.00 0.00 179.01 178.44 3a73 h ALA 254 N 1.04 0.84 -0.26 0.00 0.00 -0.76 -0.85 119.26 119.28 3a73 h ALA 254 Ca 0.09 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.59 3a73 h ALA 254 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3a73 h ALA 254 CO -0.02 0.64 0.10 -0.44 0.00 0.00 0.00 179.25 179.53 3a73 h ASP 255 N 0.50 0.12 -0.47 0.00 3.45 -0.65 -1.33 116.42 118.03 3a73 h ASP 255 Ca 0.05 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.43 3a73 h ASP 255 Cb 0.89 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.66 3a73 h ASP 255 CO 0.08 0.10 -0.07 0.44 -1.57 0.00 0.00 179.24 178.21 3a73 h ASP 256 N 0.22 0.88 -0.83 6.45 3.45 -0.77 -0.49 116.42 125.32 3a73 h ASP 256 Ca 0.11 -0.34 -0.01 0.00 0.43 0.00 0.00 57.03 57.22 3a73 h ASP 256 Cb 0.07 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 3a73 h ASP 256 CO -0.11 1.02 0.48 0.03 -1.57 0.00 0.00 179.24 179.09 3a73 h ARG 257 N 0.73 1.14 -0.32 3.56 3.08 -1.20 -0.95 114.38 120.42 3a73 h ARG 257 Ca 0.12 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3a73 h ARG 257 Cb 0.61 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3a73 h ARG 257 CO 0.04 0.82 -0.40 0.00 -1.07 0.00 0.00 179.97 179.36 3a73 h ALA 258 N 1.26 0.48 -0.95 0.04 0.00 -1.10 -2.01 119.26 116.98 3a73 h ALA 258 Ca 0.30 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3a73 h ALA 258 Cb -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 3a73 h ALA 258 CO -0.05 0.59 0.60 -0.44 0.00 0.00 0.00 179.25 179.95 3a73 h ASP 259 N 0.62 0.93 -0.29 0.00 3.45 -0.83 -1.23 116.42 119.07 3a73 h ASP 259 Ca 0.04 0.02 -0.18 0.00 0.43 0.00 0.00 57.03 57.34 3a73 h ASP 259 Cb 0.99 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 3a73 h ASP 259 CO 0.10 0.56 -0.54 0.25 -1.57 0.00 0.00 179.24 178.04 3a73 h LEU 260 N 1.04 0.97 -0.19 1.55 5.85 -0.98 -1.58 115.31 121.98 3a73 h LEU 260 Ca 0.43 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3a73 h LEU 260 Cb 0.26 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3a73 h LEU 260 CO -0.20 1.32 -0.21 0.00 -0.34 0.00 0.00 178.44 179.01 3a73 h ALA 261 N 0.68 -0.11 0.12 1.25 0.00 -1.19 0.23 119.26 120.25 3a73 h ALA 261 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a73 h ALA 261 Cb 1.15 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 3a73 h ALA 261 CO 0.12 -0.64 -0.22 0.87 0.00 0.00 0.00 179.25 179.38 3a73 h LYS 262 N -0.23 -0.40 -0.60 0.00 1.57 -1.10 0.20 116.57 116.01 3a73 h LYS 262 Ca 0.12 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 3a73 h LYS 262 Cb 0.41 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3a73 h LYS 262 CO -0.33 -0.27 0.13 -0.92 -0.57 0.00 0.00 179.45 177.49 3a73 h TYR 263 N -0.41 0.20 -0.74 -1.35 3.20 -1.15 -1.22 116.97 115.49 3a73 h TYR 263 Ca 0.02 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3a73 h TYR 263 Cb 0.43 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3a73 h TYR 263 CO -0.20 -0.03 0.43 0.82 -1.64 0.00 0.00 178.16 177.54 3a73 h ILE 264 N 0.26 1.22 0.00 1.81 2.04 0.32 -1.90 117.51 121.25 3a73 h ILE 264 Ca 0.31 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 3a73 h ILE 264 Cb 0.46 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3a73 h ILE 264 CO -0.40 0.23 -0.46 0.00 0.00 0.00 0.00 178.15 177.52 3a73 n GLU 266 N -3.66 0.01 -1.46 0.00 1.02 -0.49 -3.78 120.64 112.27 3a73 n GLU 266 Ca -0.01 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 3a73 n GLU 266 Cb 0.54 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.49 3.49 -0.34 1.62 3.02 -0.76 -4.83 115.26 115.97 3a73 n ASN 267 Ca 0.07 -3.74 -0.01 0.00 -0.03 0.00 0.00 54.58 50.87 3a73 n ASN 267 Cb 0.34 -0.42 0.15 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.70 1.23 0.00 3.52 4.20 -1.59 -2.65 115.11 121.52 3a73 h GLN 268 Ca 0.20 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3a73 h GLN 268 Cb 1.32 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 3a73 h GLN 268 CO 0.43 0.81 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.83 3a73 h ASP 269 N 1.27 0.00 -0.56 1.46 3.45 -1.88 0.88 116.42 121.04 3a73 h ASP 269 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3a73 h ASP 269 Cb -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 3a73 h ASP 269 CO -0.08 0.13 0.00 -1.54 -1.57 0.00 0.00 179.24 176.18 3a73 n SER 270 N -3.60 3.84 0.00 6.45 3.41 -1.01 -4.61 113.62 118.10 3a73 n SER 270 Ca -0.02 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3a73 n SER 270 Cb 0.26 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 1.00 0.00 -3.65 -1.33 5.41 -0.68 -4.44 119.36 115.67 3a73 n ILE 271 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.95 3a73 n ILE 271 Cb 0.65 -1.01 -0.06 0.00 -0.71 0.00 0.00 39.64 38.51 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 -4.79 -0.27 0.00 4.38 0.15 0.22 -4.09 113.70 109.29 3a73 s SER 272 Ca 0.00 0.44 0.17 0.00 0.70 0.00 0.00 55.95 57.26 3a73 s SER 272 Cb 0.00 1.06 1.01 0.00 -1.71 0.00 0.00 66.02 66.37 3a73 s SER 272 CO 0.00 -0.07 1.59 -1.54 1.20 0.00 0.00 173.24 174.42 3a73 n SER 273 N 3.26 0.00 -1.33 5.45 3.41 -1.26 -3.71 113.62 119.44 3a73 n SER 273 Ca -0.17 -1.31 0.11 0.00 -0.26 0.00 0.00 58.87 57.24 3a73 n SER 273 Cb 0.57 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.79 2.83 0.00 4.33 4.76 -1.26 -4.56 118.16 123.46 3a73 n LYS 274 Ca 0.13 -2.65 0.11 0.00 -2.87 0.00 0.00 58.31 53.03 3a73 n LYS 274 Cb 0.06 -1.58 0.04 0.00 -1.84 0.00 0.00 35.03 31.71 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 1.54 1.93 -0.16 -0.35 4.77 -1.24 -4.61 117.00 118.87 3a73 n LEU 275 Ca 0.24 -0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 55.47 3a73 n LEU 275 Cb 0.63 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3a73 n LEU 275 CO 0.17 0.36 0.67 0.50 -1.33 0.00 0.00 177.39 177.76 3a73 h LYS 276 N 2.34 -0.15 -0.10 3.23 3.64 -1.88 -0.84 116.57 122.81 3a73 h LYS 276 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3a73 h LYS 276 Cb 0.73 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3a73 h LYS 276 CO 0.00 -0.10 -0.03 0.93 -2.27 0.00 0.00 179.45 177.98 3a73 h GLU 277 N -0.15 0.20 -0.84 1.90 5.08 -1.97 -2.53 114.58 116.27 3a73 h GLU 277 Ca 0.22 -0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 3a73 h GLU 277 Cb 0.51 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 3a73 h GLU 277 CO -0.60 0.52 0.55 0.00 -1.00 0.00 0.00 179.01 178.48 3a73 n GLU 280 N -0.13 0.67 -1.17 0.00 1.02 -0.85 -5.00 120.64 115.18 3a73 n GLU 280 Ca 0.20 -0.13 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 3a73 n GLU 280 Cb 0.30 -1.53 0.11 0.00 -0.02 0.00 0.00 31.44 30.30 3a73 n GLU 280 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a73 n LYS 281 N -2.43 0.24 -1.13 3.49 5.02 -0.88 -4.95 118.16 117.52 3a73 n LYS 281 Ca -0.13 0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 3a73 n LYS 281 Cb 0.76 -2.23 0.12 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.64 1.75 0.36 1.97 0.05 -1.26 -4.70 135.00 129.53 3a73 s PRO 282 Ca 0.70 1.56 0.18 0.00 0.05 0.00 0.00 61.00 63.50 3a73 s PRO 282 Cb -0.31 -1.81 1.25 0.00 0.05 0.00 0.00 34.50 33.68 3a73 s PRO 282 CO 0.53 -2.08 1.61 1.25 0.05 0.00 0.00 177.00 178.36 3a73 h LEU 283 N -1.04 0.36 -1.15 -3.56 6.46 -1.92 -1.89 115.31 112.58 3a73 h LEU 283 Ca -0.45 0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.48 3a73 h LEU 283 Cb 1.27 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 3a73 h LEU 283 CO 0.47 -0.34 -0.17 0.25 -0.62 0.00 0.00 178.44 178.04 3a73 h LEU 284 N 0.11 0.38 -0.66 2.25 5.85 -1.93 -2.85 115.31 118.46 3a73 h LEU 284 Ca 0.80 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.42 3a73 h LEU 284 Cb 2.03 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.96 3a73 h LEU 284 CO -0.72 0.57 -0.28 -0.62 -0.34 0.00 0.00 178.44 177.05 3a73 n GLU 285 N -4.20 2.20 0.24 1.25 1.02 -0.80 -4.75 120.64 115.61 3a73 n GLU 285 Ca -0.00 -0.55 -0.16 0.00 -0.02 0.00 0.00 57.16 56.43 3a73 n GLU 285 Cb 0.33 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.08 -0.74 -0.23 3.49 3.64 -1.12 -0.92 116.57 121.77 3a73 h LYS 286 Ca 0.00 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3a73 h LYS 286 Cb 0.37 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3a73 h LYS 286 CO 0.00 -0.49 -0.37 0.66 -2.27 0.00 0.00 179.45 176.98 3a73 h SER 287 N -0.77 0.54 -0.32 4.20 4.64 -1.85 -1.49 113.55 118.50 3a73 h SER 287 Ca -0.03 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3a73 h SER 287 Cb 0.68 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3a73 h SER 287 CO -0.05 0.86 0.14 -0.74 -0.87 0.00 0.00 176.83 176.17 3a73 h HIS 288 N 0.43 0.47 -0.55 4.77 -0.00 -1.83 -1.15 115.15 117.29 3a73 h HIS 288 Ca 0.04 -0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.42 3a73 h HIS 288 Cb 0.84 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.06 3a73 h HIS 288 CO 0.03 0.44 0.30 0.00 -0.00 0.00 0.00 177.93 178.71 3a73 h ILE 290 N 0.59 1.18 0.00 0.00 2.04 -0.91 -1.35 117.51 119.06 3a73 h ILE 290 Ca 0.24 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3a73 h ILE 290 Cb 0.10 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3a73 h ILE 290 CO -0.14 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.20 3a73 h ALA 291 N 1.09 1.00 -0.01 1.87 0.00 -1.06 -2.63 119.26 119.52 3a73 h ALA 291 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3a73 h ALA 291 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a73 h ALA 291 CO -0.02 0.00 -0.48 0.39 0.00 0.00 0.00 179.25 179.14 3a73 n GLU 292 N -2.55 1.34 -1.67 0.00 -0.58 -0.56 -5.03 120.64 111.60 3a73 n GLU 292 Ca -0.01 -0.80 -0.37 0.00 -0.42 0.00 0.00 57.16 55.56 3a73 n GLU 292 Cb 0.13 -1.39 0.07 0.00 -0.57 0.00 0.00 31.44 29.68 3a73 n GLU 292 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3a73 n VAL 293 N -0.24 4.59 -1.83 2.62 3.14 -0.89 -4.98 118.33 120.75 3a73 n VAL 293 Ca 0.08 -0.48 -0.32 0.00 -2.96 0.00 0.00 64.34 60.65 3a73 n VAL 293 Cb 0.40 -1.41 0.03 0.00 -1.06 0.00 0.00 33.84 31.79 3a73 n VAL 293 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3a73 s GLU 294 N -3.32 3.10 0.30 1.45 -1.05 -1.26 -4.98 118.70 112.94 3a73 s GLU 294 Ca 0.81 1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 56.47 3a73 s GLU 294 Cb -0.38 -2.01 -0.13 0.00 -0.44 0.00 0.00 34.13 31.18 3a73 s GLU 294 CO 0.42 -0.98 1.38 0.09 0.95 0.00 0.00 175.26 177.12 3a73 n ASN 295 N -2.50 2.93 -4.70 0.83 5.03 -1.26 -4.96 115.26 110.62 3a73 n ASN 295 Ca 0.08 1.18 -0.30 0.00 0.87 0.00 0.00 54.58 56.41 3a73 n ASN 295 Cb 0.53 -1.48 0.14 0.00 -1.02 0.00 0.00 39.78 37.95 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 0.03 3.36 0.44 6.41 2.15 -0.70 -5.00 116.67 123.36 3a73 s ASP 296 Ca 0.61 1.59 -0.23 0.00 0.43 0.00 0.00 52.55 54.95 3a73 s ASP 296 Cb -0.59 -2.25 -0.08 0.00 -0.30 0.00 0.00 42.92 39.70 3a73 s ASP 296 CO 0.56 -2.72 1.11 -1.61 -0.17 0.00 0.00 175.17 172.33 3a73 s GLU 297 N -4.87 3.93 0.57 4.34 0.41 -1.26 -4.79 118.70 117.02 3a73 s GLU 297 Ca 0.64 1.63 -0.09 0.00 -0.41 0.00 0.00 54.97 56.75 3a73 s GLU 297 Cb -0.19 -2.44 -0.04 0.00 -1.78 0.00 0.00 34.13 29.69 3a73 s GLU 297 CO 0.57 -0.37 0.93 0.00 -0.49 0.00 0.00 175.26 175.90 3a73 s MET 298 N -2.65 3.55 0.69 1.61 0.23 -1.26 -4.63 119.30 116.84 3a73 s MET 298 Ca 0.61 0.51 -0.13 0.00 -1.03 0.00 0.00 55.69 55.65 3a73 s MET 298 Cb -0.25 -2.20 0.01 0.00 -1.53 0.00 0.00 34.83 30.86 3a73 s MET 298 CO 0.31 -0.43 1.09 -2.14 -2.03 0.00 0.00 175.02 171.81 3a73 s PRO 299 N -5.01 2.73 0.12 3.16 0.02 -1.26 -4.95 135.00 129.81 3a73 s PRO 299 Ca 0.52 1.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 3a73 s PRO 299 Cb -0.11 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 3a73 s PRO 299 CO 0.50 -1.28 1.30 0.00 -0.33 0.00 0.00 177.00 177.19 3a73 s ALA 300 N -2.60 3.51 -1.26 -1.55 0.00 -1.26 -4.12 121.76 114.48 3a73 s ALA 300 Ca 0.64 1.02 -0.09 0.00 0.00 0.00 0.00 51.96 53.53 3a73 s ALA 300 Cb -0.18 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 3a73 s ALA 300 CO 0.46 -0.53 0.64 -3.47 0.00 0.00 0.00 175.76 172.87 3a73 n ASP 301 N 3.61 -2.75 -4.77 0.00 -0.08 -1.26 -4.94 116.55 106.37 3a73 n ASP 301 Ca 0.09 -0.98 -0.40 0.00 -1.51 0.00 0.00 54.79 52.00 3a73 n ASP 301 Cb 0.44 -3.40 0.02 0.00 2.34 0.00 0.00 41.12 40.51 3a73 n ASP 301 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3a73 s LEU 302 N -6.68 4.13 1.14 -2.67 1.43 -1.26 -4.95 118.68 109.83 3a73 s LEU 302 Ca 0.22 2.94 -0.16 0.00 -1.03 0.00 0.00 54.13 56.10 3a73 s LEU 302 Cb -0.08 -3.91 0.19 0.00 0.03 0.00 0.00 46.19 42.42 3a73 s LEU 302 CO 0.86 -1.16 0.50 -0.81 0.23 0.00 0.00 176.35 175.98 3a73 n PRO 303 N -0.14 -1.96 -1.21 1.29 -0.04 -1.26 -4.97 135.00 126.71 3a73 n PRO 303 Ca 0.05 -0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 62.66 3a73 n PRO 303 Cb 0.41 -1.93 0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3a73 n PRO 303 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3a73 s SER 304 N -2.12 3.98 0.00 3.54 1.04 -1.26 -4.97 113.70 113.91 3a73 s SER 304 Ca 0.62 1.68 0.30 0.00 0.48 0.00 0.00 55.95 59.03 3a73 s SER 304 Cb -0.19 -2.36 1.46 0.00 0.10 0.00 0.00 66.02 65.03 3a73 s SER 304 CO 0.66 -2.35 2.02 0.18 0.98 0.00 0.00 173.24 174.73 3a73 n LEU 305 N -3.71 0.00 -0.08 2.42 4.32 -1.26 -4.17 117.00 114.51 3a73 n LEU 305 Ca 0.08 0.31 -0.13 0.00 -0.02 0.00 0.00 56.01 56.25 3a73 n LEU 305 Cb 0.54 -0.31 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 3a73 n LEU 305 CO 0.54 -0.01 0.59 0.00 -1.22 0.00 0.00 177.39 177.30 3a73 h ALA 306 N 3.35 0.37 -0.14 -1.18 0.00 -1.94 -2.35 119.26 117.37 3a73 h ALA 306 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3a73 h ALA 306 Cb 0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3a73 h ALA 306 CO 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 179.25 179.18 3a73 h ALA 307 N 0.69 -0.76 0.00 0.00 0.00 -1.95 0.96 119.26 118.20 3a73 h ALA 307 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3a73 h ALA 307 Cb 0.79 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3a73 h ALA 307 CO 0.06 -0.91 -0.54 -0.44 0.00 0.00 0.00 179.25 177.42 3a73 h ASP 308 N -0.41 0.00 0.00 0.00 3.45 -1.84 0.33 116.42 117.95 3a73 h ASP 308 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3a73 h ASP 308 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3a73 h ASP 308 CO -0.35 0.54 -0.80 0.49 -1.57 0.00 0.00 179.24 177.55 3a73 n PHE 309 N -3.42 0.00 0.00 4.55 3.01 -0.89 -4.70 117.46 116.02 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 0.66 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 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 -1.44 0.00 -0.02 -4.37 0.31 0.14 -4.96 118.33 107.98 3a73 n VAL 310 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.15 3a73 n VAL 310 Cb 0.17 -0.57 -0.13 0.00 -0.91 0.00 0.00 33.84 32.39 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 0.15 -6.15 5.55 4.39 0.75 -3.47 114.58 115.80 3a73 h GLU 311 Ca 0.00 -0.25 -0.64 0.00 0.34 0.00 0.00 59.36 58.80 3a73 h GLU 311 Cb 0.49 0.09 0.12 0.00 -0.10 0.00 0.00 28.75 29.35 3a73 h GLU 311 CO 0.00 1.12 -0.40 0.45 -1.16 0.00 0.00 179.01 179.02 3a73 n SER 312 N -4.27 -0.75 0.23 1.42 2.88 0.12 -4.85 113.62 108.39 3a73 n SER 312 Ca -0.18 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.55 3a73 n SER 312 Cb 0.71 -1.05 0.47 0.00 -0.75 0.00 0.00 64.21 63.60 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 1.15 0.00 -0.88 -1.46 2.10 -1.90 -3.28 116.57 112.30 3a73 h LYS 313 Ca -0.33 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.30 3a73 h LYS 313 Cb 1.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.73 3a73 h LYS 313 CO 0.56 0.19 0.03 -0.25 -2.00 0.00 0.00 179.45 177.98 3a73 n ASP 314 N -3.33 2.63 0.18 7.07 10.43 -1.26 -4.58 116.55 127.69 3a73 n ASP 314 Ca 0.00 -2.33 -0.13 0.00 2.57 0.00 0.00 54.79 54.90 3a73 n ASP 314 Cb 0.42 -0.57 -0.08 0.00 1.84 0.00 0.00 41.12 42.74 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 1.18 0.59 -0.80 2.53 2.07 -1.87 -1.45 116.25 118.51 3a73 h VAL 315 Ca 0.03 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3a73 h VAL 315 Cb 1.06 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3a73 h VAL 315 CO 0.19 0.10 0.33 0.00 0.02 0.00 0.00 177.57 178.20 3a73 h LYS 317 N 1.17 -0.12 -0.90 0.00 3.64 -1.85 -0.47 116.57 118.03 3a73 h LYS 317 Ca 0.27 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3a73 h LYS 317 Cb 0.20 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3a73 h LYS 317 CO -0.02 -0.02 0.50 -0.91 -2.27 0.00 0.00 179.45 176.73 3a73 h ASN 318 N -0.18 1.12 0.55 4.20 2.35 -1.05 -2.51 115.58 120.06 3a73 h ASN 318 Ca -0.01 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3a73 h ASN 318 Cb 0.15 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3a73 h ASN 318 CO 0.02 0.89 -0.30 0.22 -1.65 0.00 0.00 177.43 176.61 3a73 h TYR 319 N 1.26 -0.78 0.00 1.19 5.03 -0.80 -3.28 116.97 119.59 3a73 h TYR 319 Ca 0.32 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 3a73 h TYR 319 Cb 0.01 0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 3a73 h TYR 319 CO 0.01 -0.47 -0.05 0.00 -1.32 0.00 0.00 178.16 176.33 3a73 h ALA 320 N -0.36 1.01 -0.46 1.82 0.00 -0.87 -1.18 119.26 119.22 3a73 h ALA 320 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3a73 h ALA 320 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3a73 h ALA 320 CO 0.10 0.06 0.18 0.93 0.00 0.00 0.00 179.25 180.53 3a73 h GLU 321 N 0.00 0.66 -0.57 0.00 5.08 -1.51 -3.41 114.58 114.83 3a73 h GLU 321 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3a73 h GLU 321 Cb 0.56 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.51 3a73 h GLU 321 CO 0.01 0.54 -0.28 0.00 -1.00 0.00 0.00 179.01 178.28 3a73 s ALA 322 N -5.31 -3.46 0.22 3.43 0.00 -0.71 -5.06 121.76 110.87 3a73 s ALA 322 Ca -0.09 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 3a73 s ALA 322 Cb 0.16 -2.88 0.16 0.00 0.00 0.00 0.00 23.12 20.57 3a73 s ALA 322 CO 0.76 -2.38 1.78 0.87 0.00 0.00 0.00 175.76 176.79 3a73 h LYS 323 N 5.53 1.19 -0.10 0.00 1.57 -1.49 -2.43 116.57 120.85 3a73 h LYS 323 Ca 0.01 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.37 3a73 h LYS 323 Cb 1.18 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3a73 h LYS 323 CO -0.02 0.97 -0.75 -0.44 -0.57 0.00 0.00 179.45 178.64 3a73 h ASP 324 N 1.16 0.61 -0.40 0.86 3.32 -1.97 -0.75 116.42 119.25 3a73 h ASP 324 Ca 0.26 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3a73 h ASP 324 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3a73 h ASP 324 CO -0.02 1.16 0.24 0.58 -1.72 0.00 0.00 179.24 179.49 3a73 h VAL 325 N 0.35 1.13 -0.37 -1.35 2.07 -1.91 0.34 116.25 116.51 3a73 h VAL 325 Ca -0.04 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3a73 h VAL 325 Cb 1.34 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3a73 h VAL 325 CO 0.14 0.13 0.02 0.15 0.02 0.00 0.00 177.57 178.02 3a73 h PHE 326 N 0.53 0.70 -0.16 1.57 3.57 -1.29 0.36 116.94 122.22 3a73 h PHE 326 Ca 0.14 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3a73 h PHE 326 Cb -0.00 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3a73 h PHE 326 CO -0.04 0.73 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.39 3a73 h LEU 327 N 0.47 0.31 -0.84 0.59 3.38 -1.07 -1.02 115.31 117.12 3a73 h LEU 327 Ca 0.11 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3a73 h LEU 327 Cb 0.44 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3a73 h LEU 327 CO 0.02 0.61 -0.41 1.23 0.09 0.00 0.00 178.44 179.98 3a73 h GLY 328 N 1.07 0.39 0.93 0.83 0.00 0.87 -1.17 103.07 106.00 3a73 h GLY 328 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3a73 h GLY 328 CO 0.05 0.35 0.00 -0.33 0.00 0.00 0.00 176.54 176.61 3a73 h MET 329 N 0.30 0.67 -0.37 4.80 2.86 0.32 0.77 114.93 124.27 3a73 h MET 329 Ca 0.03 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3a73 h MET 329 Cb 0.85 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3a73 h MET 329 CO 0.07 0.77 0.21 0.35 1.06 0.00 0.00 176.91 179.36 3a73 h PHE 330 N 0.49 0.39 -0.50 -0.22 3.57 -1.13 0.52 116.94 120.05 3a73 h PHE 330 Ca 0.11 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3a73 h PHE 330 Cb 0.46 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3a73 h PHE 330 CO 0.04 0.22 -0.02 1.25 -2.23 0.00 0.00 178.31 177.56 3a73 h LEU 331 N 0.42 0.89 -0.11 0.59 5.85 -1.02 0.16 115.31 122.11 3a73 h LEU 331 Ca 0.15 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.58 3a73 h LEU 331 Cb 0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3a73 h LEU 331 CO -0.08 1.00 -0.06 0.22 -0.34 0.00 0.00 178.44 179.17 3a73 h TYR 332 N 0.77 -0.14 -0.57 1.25 5.03 -0.68 0.67 116.97 123.29 3a73 h TYR 332 Ca 0.14 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.40 3a73 h TYR 332 Cb 0.55 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 3a73 h TYR 332 CO 0.04 -0.10 0.09 0.93 -1.32 0.00 0.00 178.16 177.80 3a73 h GLU 333 N -0.06 0.92 -0.16 1.82 4.39 -0.67 -1.64 114.58 119.19 3a73 h GLU 333 Ca 0.06 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 3a73 h GLU 333 Cb 0.15 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3a73 h GLU 333 CO -0.14 0.86 -0.39 -0.92 -1.16 0.00 0.00 179.01 177.26 3a73 h TYR 334 N 0.87 0.70 -0.25 4.33 5.03 -0.55 -3.30 116.97 123.80 3a73 h TYR 334 Ca 0.18 -0.26 -0.15 0.00 2.58 0.00 0.00 58.73 61.07 3a73 h TYR 334 Cb 0.39 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.54 3a73 h TYR 334 CO 0.02 1.01 -0.44 0.00 -1.32 0.00 0.00 178.16 177.43 3a73 h ALA 335 N 0.55 0.39 -0.71 1.82 0.00 -0.75 -2.60 119.26 117.96 3a73 h ALA 335 Ca -0.00 -0.47 0.16 0.00 0.00 0.00 0.00 54.91 54.60 3a73 h ALA 335 Cb 0.99 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3a73 h ALA 335 CO 0.08 0.53 0.49 0.07 0.00 0.00 0.00 179.25 180.42 3a73 h ARG 336 N 0.48 0.25 0.00 0.00 0.11 -1.41 -0.28 114.38 113.53 3a73 h ARG 336 Ca 0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a73 h ARG 336 Cb 1.04 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.06 3a73 h ARG 336 CO 0.10 0.17 0.00 0.00 0.10 0.00 0.00 179.97 180.34 3a73 h ARG 337 N 0.26 0.00 -2.17 0.08 3.08 -1.55 -3.39 114.38 110.69 3a73 h ARG 337 Ca 0.35 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.82 3a73 h ARG 337 Cb 0.99 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.63 3a73 h ARG 337 CO -0.08 0.00 -0.75 0.72 -1.07 0.00 0.00 179.97 178.79 3a73 n HIS 338 N -3.00 2.77 0.26 3.04 8.25 -0.12 -4.82 115.22 121.61 3a73 n HIS 338 Ca 0.04 -3.98 0.13 0.00 -0.26 0.00 0.00 57.72 53.65 3a73 n HIS 338 Cb 0.50 -0.49 0.72 0.00 1.12 0.00 0.00 29.99 31.83 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 3.67 0.00 -0.00 -0.41 0.13 -1.77 -1.05 132.00 132.57 3a73 h PRO 339 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3a73 h PRO 339 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3a73 h PRO 339 CO 0.74 0.00 -0.45 -0.40 -0.23 0.00 0.00 178.00 177.65 3a73 n ASP 340 N -2.58 0.51 -4.90 1.44 3.85 -1.26 -4.83 116.55 108.78 3a73 n ASP 340 Ca -0.02 -0.26 -0.28 0.00 -0.71 0.00 0.00 54.79 53.52 3a73 n ASP 340 Cb 0.25 0.20 -0.02 0.00 -1.35 0.00 0.00 41.12 40.20 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 -2.96 3.50 0.63 2.11 4.12 -0.40 -4.27 117.35 120.08 3a73 s TYR 341 Ca 0.12 0.77 -0.13 0.00 0.02 0.00 0.00 57.07 57.85 3a73 s TYR 341 Cb 0.18 -2.23 -0.03 0.00 -1.52 0.00 0.00 41.96 38.36 3a73 s TYR 341 CO 0.68 -0.04 1.04 -1.54 0.02 0.00 0.00 175.55 175.71 3a73 s SER 342 N -3.54 5.87 0.24 2.29 1.04 -1.26 -4.39 113.70 113.95 3a73 s SER 342 Ca 0.46 1.59 -0.06 0.00 0.48 0.00 0.00 55.95 58.43 3a73 s SER 342 Cb -0.10 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.77 3a73 s SER 342 CO 0.35 -1.11 1.89 0.58 0.98 0.00 0.00 173.24 175.94 3a73 h VAL 343 N -0.15 1.26 0.00 5.02 2.07 -1.94 -2.47 116.25 120.04 3a73 h VAL 343 Ca -0.45 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3a73 h VAL 343 Cb 1.20 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3a73 h VAL 343 CO 0.59 0.27 -0.38 -0.37 0.02 0.00 0.00 177.57 177.70 3a73 h VAL 344 N 1.30 1.01 -0.32 2.57 -1.51 -1.97 -1.97 116.25 115.35 3a73 h VAL 344 Ca 0.34 -1.44 -0.09 0.00 -1.23 0.00 0.00 66.70 64.28 3a73 h VAL 344 Cb -0.06 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 3a73 h VAL 344 CO -0.06 0.37 -0.14 0.25 -1.23 0.00 0.00 177.57 176.76 3a73 h LEU 345 N 0.00 0.68 -0.93 4.19 6.46 -1.84 -0.22 115.31 123.65 3a73 h LEU 345 Ca -0.00 -0.40 0.14 0.00 -0.12 0.00 0.00 57.88 57.50 3a73 h LEU 345 Cb 0.81 -0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.46 3a73 h LEU 345 CO 0.05 0.92 0.55 -0.07 -0.62 0.00 0.00 178.44 179.27 3a73 h LEU 346 N 0.43 0.75 -0.27 2.25 3.38 -1.11 -0.65 115.31 120.08 3a73 h LEU 346 Ca 0.07 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3a73 h LEU 346 Cb 0.66 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3a73 h LEU 346 CO 0.04 0.35 0.10 -0.07 0.09 0.00 0.00 178.44 178.96 3a73 h LEU 347 N 0.81 0.37 -2.01 1.67 3.38 -1.12 0.70 115.31 119.11 3a73 h LEU 347 Ca 0.49 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3a73 h LEU 347 Cb 0.61 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a73 h LEU 347 CO -0.32 0.45 0.06 0.03 0.09 0.00 0.00 178.44 178.75 3a73 h ARG 348 N 0.28 0.00 0.05 1.13 3.08 -0.22 0.81 114.38 119.51 3a73 h ARG 348 Ca 0.09 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3a73 h ARG 348 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.26 3a73 h ARG 348 CO -0.01 0.00 -0.76 -0.07 -1.07 0.00 0.00 179.97 178.07 3a73 h LEU 349 N 0.00 0.58 -0.56 3.04 3.38 -0.74 -2.26 115.31 118.76 3a73 h LEU 349 Ca 0.04 -0.81 -0.14 0.00 0.09 0.00 0.00 57.88 57.06 3a73 h LEU 349 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3a73 h LEU 349 CO -0.00 1.33 -0.31 0.00 0.09 0.00 0.00 178.44 179.55 3a73 h ALA 350 N 0.26 0.74 0.00 1.53 0.00 0.12 -1.48 119.26 120.44 3a73 h ALA 350 Ca -0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3a73 h ALA 350 Cb 1.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3a73 h ALA 350 CO 0.15 0.66 -0.31 -0.22 0.00 0.00 0.00 179.25 179.53 3a73 h LYS 351 N 0.69 0.00 -0.25 0.00 3.64 0.55 -0.90 116.57 120.30 3a73 h LYS 351 Ca 0.08 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 3a73 h LYS 351 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3a73 h LYS 351 CO 0.08 0.31 -0.55 1.15 -2.27 0.00 0.00 179.45 178.17 3a73 h THR 352 N 0.00 1.29 -0.77 1.00 2.02 -1.16 -1.52 112.91 113.77 3a73 h THR 352 Ca -0.00 -1.74 -0.02 0.00 0.77 0.00 0.00 66.41 65.41 3a73 h THR 352 Cb 0.55 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 3a73 h THR 352 CO 0.04 0.56 0.38 0.22 0.37 0.00 0.00 175.52 177.09 3a73 h TYR 353 N 0.57 1.08 -0.34 3.16 -0.00 -0.89 -2.16 116.97 118.39 3a73 h TYR 353 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.73 58.58 3a73 h TYR 353 Cb 1.16 -0.34 -0.01 0.00 -0.00 0.00 0.00 36.73 37.54 3a73 h TYR 353 CO 0.08 0.77 -0.24 1.49 -0.00 0.00 0.00 178.16 180.26 3a73 h GLU 354 N 1.08 0.76 -0.52 1.82 4.81 -0.97 -0.88 114.58 120.69 3a73 h GLU 354 Ca 0.27 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3a73 h GLU 354 Cb 0.09 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3a73 h GLU 354 CO -0.04 0.99 -0.01 1.15 -0.73 0.00 0.00 179.01 180.37 3a73 h THR 355 N 0.54 1.25 -0.20 0.32 2.02 -1.17 -1.88 112.91 113.78 3a73 h THR 355 Ca 0.07 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 3a73 h THR 355 Cb 0.80 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3a73 h THR 355 CO 0.06 0.38 -0.01 0.74 0.37 0.00 0.00 175.52 177.07 3a73 h THR 356 N 0.82 1.26 -0.83 3.16 2.02 -1.21 -2.78 112.91 115.34 3a73 h THR 356 Ca 0.15 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3a73 h THR 356 Cb 0.51 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 3a73 h THR 356 CO 0.03 0.27 0.40 -0.07 0.37 0.00 0.00 175.52 176.52 3a73 h LEU 357 N 0.12 1.09 0.20 2.58 4.07 -1.00 -1.22 115.31 121.14 3a73 h LEU 357 Ca 0.06 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.89 3a73 h LEU 357 Cb 0.41 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 3a73 h LEU 357 CO 0.01 0.92 -0.42 -0.33 -1.08 0.00 0.00 178.44 177.54 3a73 h GLU 358 N 1.18 -0.68 -0.20 1.13 4.39 -1.37 -0.47 114.58 118.56 3a73 h GLU 358 Ca 0.29 0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.05 3a73 h GLU 358 Cb 0.12 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3a73 h GLU 358 CO -0.04 -0.46 0.09 -0.22 -1.16 0.00 0.00 179.01 177.23 3a73 h LYS 359 N -0.71 0.19 0.12 2.33 3.64 -1.43 -3.27 116.57 117.45 3a73 h LYS 359 Ca 0.00 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 3a73 h LYS 359 Cb 0.70 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3a73 h LYS 359 CO -0.20 0.13 -1.22 0.00 -2.27 0.00 0.00 179.45 175.88 3a73 h ALA 362 N 1.81 0.91 -2.46 0.00 0.00 -1.60 -3.46 119.26 114.48 3a73 h ALA 362 Ca -0.00 -0.54 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 3a73 h ALA 362 Cb 0.41 -0.09 0.15 0.00 0.00 0.00 0.00 17.79 18.25 3a73 h ALA 362 CO 0.02 0.73 0.34 0.00 0.00 0.00 0.00 179.25 180.34 3a73 s ALA 363 N -3.74 2.10 0.18 0.00 0.00 -0.36 -4.99 121.76 114.95 3a73 s ALA 363 Ca -0.03 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 3a73 s ALA 363 Cb 0.12 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.94 3a73 s ALA 363 CO 0.78 -1.88 1.84 0.00 0.00 0.00 0.00 175.76 176.50 3a73 h ALA 364 N -0.73 0.68 -2.84 0.00 0.00 -1.88 -3.27 119.26 111.22 3a73 h ALA 364 Ca -0.45 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 53.69 3a73 h ALA 364 Cb 1.26 -0.20 -0.33 0.00 0.00 0.00 0.00 17.79 18.52 3a73 h ALA 364 CO 0.49 0.10 0.01 0.34 0.00 0.00 0.00 179.25 180.19 3a73 s ASP 365 N -5.66 6.26 0.18 0.00 3.68 -1.26 -4.96 116.67 114.91 3a73 s ASP 365 Ca -0.13 -3.43 -0.13 0.00 2.13 0.00 0.00 52.55 51.00 3a73 s ASP 365 Cb 0.13 -2.00 0.11 0.00 -1.45 0.00 0.00 42.92 39.70 3a73 s ASP 365 CO 0.74 -0.28 1.83 -0.65 0.13 0.00 0.00 175.17 176.94 3a73 h PRO 366 N 6.54 0.70 -0.83 4.34 0.11 -1.69 -2.78 132.00 138.40 3a73 h PRO 366 Ca 0.13 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.28 3a73 h PRO 366 Cb 0.88 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.76 3a73 h PRO 366 CO 0.85 0.46 0.48 1.25 -0.21 0.00 0.00 178.00 180.84 3a73 h HIS 367 N 0.72 0.88 -0.74 0.65 -0.00 -1.93 -1.03 115.15 113.71 3a73 h HIS 367 Ca 0.22 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.57 3a73 h HIS 367 Cb -0.03 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.07 3a73 h HIS 367 CO -0.05 0.39 0.27 1.49 -0.00 0.00 0.00 177.93 180.03 3a73 h GLU 368 N 0.84 1.12 -0.68 5.26 4.81 -1.92 -2.18 114.58 121.84 3a73 h GLU 368 Ca 0.39 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3a73 h GLU 368 Cb 0.30 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3a73 h GLU 368 CO -0.22 0.93 0.33 0.00 -0.73 0.00 0.00 179.01 179.32 3a73 n TYR 370 N -4.46 0.81 0.23 0.00 0.18 -0.62 -4.43 117.16 108.87 3a73 n TYR 370 Ca 0.05 -0.41 0.07 0.00 1.88 0.00 0.00 57.90 59.49 3a73 n TYR 370 Cb 0.12 0.00 0.54 0.00 -0.38 0.00 0.00 39.34 39.63 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 4.18 1.59 -0.67 -3.48 0.00 -1.38 -2.34 119.26 117.17 3a73 h ALA 371 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a73 h ALA 371 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3a73 h ALA 371 CO 0.00 0.23 0.00 1.17 0.00 0.00 0.00 179.25 180.65 3a73 n LYS 372 N -4.16 2.72 -0.28 0.00 4.81 -1.26 -4.64 118.16 115.36 3a73 n LYS 372 Ca -0.02 -2.57 0.05 0.00 -0.87 0.00 0.00 58.31 54.90 3a73 n LYS 372 Cb 0.25 -1.53 0.28 0.00 0.02 0.00 0.00 35.03 34.05 3a73 n LYS 372 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 3a73 h VAL 373 N 4.08 1.03 -0.87 3.15 3.04 -1.72 0.78 116.25 125.73 3a73 h VAL 373 Ca 0.00 -0.32 0.08 0.00 -1.01 0.00 0.00 66.70 65.45 3a73 h VAL 373 Cb 0.96 0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 30.19 3a73 h VAL 373 CO 0.00 0.17 0.57 -0.26 -1.01 0.00 0.00 177.57 177.04 3a73 h PHE 374 N 0.94 0.97 -0.35 3.17 -1.00 -1.83 0.17 116.94 119.01 3a73 h PHE 374 Ca 0.38 0.03 0.07 0.00 2.81 0.00 0.00 57.97 61.26 3a73 h PHE 374 Cb 0.27 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 3a73 h PHE 374 CO -0.00 0.48 0.24 -0.44 -1.61 0.00 0.00 178.31 176.99 3a73 h ASP 375 N 0.93 0.13 0.53 2.17 3.32 -1.18 0.93 116.42 123.25 3a73 h ASP 375 Ca 0.39 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3a73 h ASP 375 Cb 0.29 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3a73 h ASP 375 CO -0.15 0.08 -0.16 -0.33 -1.72 0.00 0.00 179.24 176.97 3a73 h GLU 376 N 0.15 0.00 0.00 3.56 5.08 -0.89 -2.80 114.58 119.68 3a73 h GLU 376 Ca 0.16 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3a73 h GLU 376 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3a73 h GLU 376 CO -0.02 0.16 -0.34 0.74 -1.00 0.00 0.00 179.01 178.54 3a73 h PHE 377 N 0.00 0.00 0.00 4.33 0.05 -0.76 -3.35 116.94 117.21 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 0.46 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.41 3a73 h PHE 377 CO 0.00 0.34 0.00 1.63 -0.18 0.00 0.00 178.31 180.10 3a73 n LYS 378 N -3.82 0.00 0.05 1.51 4.76 -1.06 -1.97 118.16 117.64 3a73 n LYS 378 Ca -0.01 0.46 0.13 0.00 -2.87 0.00 0.00 58.31 56.01 3a73 n LYS 378 Cb 0.42 -0.78 0.49 0.00 -1.84 0.00 0.00 35.03 33.32 3a73 n LYS 378 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3a73 n PRO 379 N -1.58 0.12 -0.06 1.97 -0.02 -1.26 -2.08 135.00 132.09 3a73 n PRO 379 Ca 0.00 0.16 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 3a73 n PRO 379 Cb 0.00 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 3a73 n PRO 379 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a73 h LEU 380 N 0.00 0.50 -0.39 2.45 3.38 -1.58 -2.13 115.31 117.54 3a73 h LEU 380 Ca 0.00 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 3a73 h LEU 380 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3a73 h LEU 380 CO 0.00 0.89 0.01 0.58 0.09 0.00 0.00 178.44 180.01 3a73 h VAL 381 N 0.11 1.26 -0.40 1.22 2.07 -1.04 -3.32 116.25 116.15 3a73 h VAL 381 Ca 0.02 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 3a73 h VAL 381 Cb 0.77 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3a73 h VAL 381 CO 0.05 0.33 -0.25 -0.33 0.02 0.00 0.00 177.57 177.40 3a73 h GLU 382 N 0.51 0.88 -0.19 1.57 5.08 -1.35 -3.07 114.58 118.01 3a73 h GLU 382 Ca 0.11 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3a73 h GLU 382 Cb 0.46 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 3a73 h GLU 382 CO 0.02 1.05 -0.51 1.49 -1.00 0.00 0.00 179.01 180.07 3a73 h GLU 383 N 0.69 -0.50 -0.65 2.33 4.22 -1.47 0.33 114.58 119.53 3a73 h GLU 383 Ca 0.08 0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.51 3a73 h GLU 383 Cb 0.82 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3a73 h GLU 383 CO 0.07 -0.34 0.20 -1.00 -2.18 0.00 0.00 179.01 175.77 3a73 h PRO 384 N -0.52 0.98 -0.67 0.92 0.13 -1.71 -2.15 132.00 128.98 3a73 h PRO 384 Ca 0.06 -0.19 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3a73 h PRO 384 Cb 0.65 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 3a73 h PRO 384 CO -0.46 0.84 0.39 1.96 -0.23 0.00 0.00 178.00 180.50 3a73 h GLN 385 N 0.95 0.92 -0.02 0.86 4.20 -1.28 -0.84 115.11 119.90 3a73 h GLN 385 Ca 0.21 -0.09 -0.26 0.00 0.06 0.00 0.00 58.65 58.57 3a73 h GLN 385 Cb 0.27 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 27.88 3a73 h GLN 385 CO -0.01 0.66 -1.01 -0.91 -0.67 0.00 0.00 178.83 176.89 3a73 h ASN 386 N 0.93 0.92 -0.64 1.46 2.35 -0.14 -0.68 115.58 119.78 3a73 h ASN 386 Ca 0.24 -0.72 -0.05 0.00 -0.55 0.00 0.00 56.30 55.22 3a73 h ASN 386 Cb -0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 3a73 h ASN 386 CO -0.04 1.52 0.20 0.25 -1.65 0.00 0.00 177.43 177.71 3a73 h LEU 387 N 0.42 0.92 -0.06 1.61 5.85 -1.32 -1.09 115.31 121.64 3a73 h LEU 387 Ca -0.12 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3a73 h LEU 387 Cb 1.66 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3a73 h LEU 387 CO 0.20 0.89 0.03 0.40 -0.34 0.00 0.00 178.44 179.61 3a73 h ILE 388 N 0.91 1.14 -0.15 4.05 2.04 -1.08 -1.73 117.51 122.69 3a73 h ILE 388 Ca 0.21 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3a73 h ILE 388 Cb 0.29 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3a73 h ILE 388 CO -0.01 0.11 -0.17 0.11 0.00 0.00 0.00 178.15 178.20 3a73 h LYS 389 N -0.05 -0.20 -0.67 2.37 1.57 -0.89 -0.87 116.57 117.83 3a73 h LYS 389 Ca 0.02 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3a73 h LYS 389 Cb 0.16 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3a73 h LYS 389 CO -0.00 -0.13 0.16 -0.56 -0.57 0.00 0.00 179.45 178.35 3a73 h GLN 390 N -0.21 1.06 -0.15 3.15 3.07 -1.14 -2.01 115.11 118.88 3a73 h GLN 390 Ca 0.10 -0.25 -0.11 0.00 0.09 0.00 0.00 58.65 58.49 3a73 h GLN 390 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 3a73 h GLN 390 CO -0.27 0.94 -0.38 -0.91 0.09 0.00 0.00 178.83 178.30 3a73 h ASN 391 N 1.01 0.34 0.76 0.06 4.21 -1.17 -1.58 115.58 119.21 3a73 h ASN 391 Ca 0.21 -0.14 -0.11 0.00 1.21 0.00 0.00 56.30 57.47 3a73 h ASN 391 Cb 0.36 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 3a73 h ASN 391 CO 0.00 0.69 -0.54 0.00 -1.29 0.00 0.00 177.43 176.29 3a73 h GLU 393 N 0.00 0.87 -0.30 0.00 5.08 -1.11 0.12 114.58 119.25 3a73 h GLU 393 Ca -0.01 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 3a73 h GLU 393 Cb 1.07 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3a73 h GLU 393 CO 0.07 1.20 0.08 -0.07 -1.00 0.00 0.00 179.01 179.30 3a73 h LEU 394 N 0.66 0.45 -1.02 1.33 3.38 -1.22 -0.88 115.31 118.01 3a73 h LEU 394 Ca 0.01 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3a73 h LEU 394 Cb 1.19 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 3a73 h LEU 394 CO 0.13 0.55 0.65 0.15 0.09 0.00 0.00 178.44 180.01 3a73 h PHE 395 N 0.32 1.20 -0.24 1.13 3.57 -0.65 -1.48 116.94 120.79 3a73 h PHE 395 Ca 0.10 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3a73 h PHE 395 Cb 0.27 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3a73 h PHE 395 CO 0.01 0.62 -0.23 0.93 -2.23 0.00 0.00 178.31 177.41 3a73 h GLU 396 N 1.17 0.44 0.04 1.11 5.08 -0.37 0.09 114.58 122.13 3a73 h GLU 396 Ca 0.43 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.42 3a73 h GLU 396 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3a73 h GLU 396 CO -0.17 0.65 -1.02 0.37 -1.00 0.00 0.00 179.01 177.84 3a73 h GLN 397 N 0.39 0.13 0.00 2.33 4.15 -0.54 -3.36 115.11 118.22 3a73 h GLN 397 Ca 0.06 -0.19 -0.22 0.00 0.77 0.00 0.00 58.65 59.07 3a73 h GLN 397 Cb 0.63 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 3a73 h GLN 397 CO 0.04 1.03 -1.86 1.28 -1.93 0.00 0.00 178.83 177.40 3a73 n LEU 398 N -3.51 0.00 -0.08 -2.39 4.32 -0.62 -5.09 117.00 109.64 3a73 n LEU 398 Ca -0.03 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.97 3a73 n LEU 398 Cb 0.91 0.30 -0.00 0.00 -1.62 0.00 0.00 43.42 43.01 3a73 n LEU 398 CO 0.49 0.30 -0.03 0.61 -1.22 0.00 0.00 177.39 177.54 3a73 n GLY 399 N 2.20 -2.17 0.46 -0.72 0.00 0.01 -4.43 105.19 100.55 3a73 n GLY 399 Ca -0.20 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.08 -0.96 -0.21 1.61 4.81 -1.93 0.19 114.58 118.02 3a73 h GLU 400 Ca -0.01 0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3a73 h GLU 400 Cb 0.08 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3a73 h GLU 400 CO 0.00 -0.64 0.04 -0.92 -0.73 0.00 0.00 179.01 176.76 3a73 h TYR 401 N -1.00 0.07 0.00 0.92 5.03 -1.96 0.54 116.97 120.57 3a73 h TYR 401 Ca -0.08 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 3a73 h TYR 401 Cb 0.83 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 3a73 h TYR 401 CO -0.16 0.02 -0.36 0.87 -1.32 0.00 0.00 178.16 177.21 3a73 h LYS 402 N 0.12 0.00 -0.70 1.82 1.57 -1.76 -1.24 116.57 116.37 3a73 h LYS 402 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3a73 h LYS 402 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3a73 h LYS 402 CO -0.12 0.36 0.20 0.35 -0.57 0.00 0.00 179.45 179.67 3a73 h PHE 403 N 0.00 1.15 -0.80 -1.35 3.57 0.69 -1.22 116.94 118.98 3a73 h PHE 403 Ca -0.00 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.40 3a73 h PHE 403 Cb 0.83 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 3a73 h PHE 403 CO 0.00 0.92 0.51 1.96 -2.23 0.00 0.00 178.31 179.47 3a73 h GLN 404 N 1.04 0.97 -0.69 1.11 4.20 0.43 -0.37 115.11 121.79 3a73 h GLN 404 Ca 0.22 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 3a73 h GLN 404 Cb 0.33 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3a73 h GLN 404 CO -0.00 0.64 0.20 -0.91 -0.67 0.00 0.00 178.83 178.09 3a73 h ASN 405 N 1.00 0.99 -0.44 1.46 -0.26 -0.94 -0.31 115.58 117.09 3a73 h ASN 405 Ca 0.32 -0.18 -0.11 0.00 -0.56 0.00 0.00 56.30 55.76 3a73 h ASN 405 Cb 0.01 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 3a73 h ASN 405 CO -0.11 0.93 -0.15 0.00 -1.06 0.00 0.00 177.43 177.04 3a73 h ALA 406 N 1.20 0.82 -0.57 -0.83 0.00 -0.80 -2.58 119.26 116.50 3a73 h ALA 406 Ca 0.22 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3a73 h ALA 406 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3a73 h ALA 406 CO -0.01 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.89 3a73 h LEU 407 N 0.82 0.90 0.27 0.00 4.07 -0.68 -2.06 115.31 118.62 3a73 h LEU 407 Ca 0.12 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3a73 h LEU 407 Cb 0.69 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 3a73 h LEU 407 CO 0.05 0.92 -0.30 -0.07 -1.08 0.00 0.00 178.44 177.96 3a73 h LEU 408 N 0.88 -0.82 -0.55 1.67 4.07 -0.84 -0.25 115.31 119.48 3a73 h LEU 408 Ca 0.18 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 58.17 3a73 h LEU 408 Cb 0.43 0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 3a73 h LEU 408 CO 0.01 -0.42 0.16 -0.37 -1.08 0.00 0.00 178.44 176.75 3a73 h VAL 409 N -0.61 1.24 -0.11 1.22 -1.51 -1.36 0.59 116.25 115.71 3a73 h VAL 409 Ca -0.01 -0.81 0.03 0.00 -1.23 0.00 0.00 66.70 64.68 3a73 h VAL 409 Cb 0.57 0.73 -0.06 0.00 -2.13 0.00 0.00 31.29 30.40 3a73 h VAL 409 CO -0.08 0.30 -0.54 -0.09 -1.23 0.00 0.00 177.57 175.93 3a73 h ARG 410 N 0.76 -0.58 -0.01 5.19 2.43 -1.34 -2.06 114.38 118.77 3a73 h ARG 410 Ca 0.18 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3a73 h ARG 410 Cb 0.29 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3a73 h ARG 410 CO -0.00 -0.39 -0.56 1.88 -1.51 0.00 0.00 179.97 179.39 3a73 h TYR 411 N -0.60 0.06 -0.57 2.20 0.05 -0.83 -2.49 116.97 114.78 3a73 h TYR 411 Ca 0.03 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3a73 h TYR 411 Cb 0.69 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 3a73 h TYR 411 CO -0.57 0.59 0.22 1.15 -1.05 0.00 0.00 178.16 178.50 3a73 h THR 412 N 0.03 1.23 -0.60 -2.88 2.02 -0.82 -1.82 112.91 110.08 3a73 h THR 412 Ca -0.00 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3a73 h THR 412 Cb 1.00 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3a73 h THR 412 CO 0.08 0.27 0.26 0.11 0.37 0.00 0.00 175.52 176.61 3a73 h LYS 413 N 0.79 0.88 -0.54 6.66 1.57 -1.18 -0.45 116.57 124.29 3a73 h LYS 413 Ca 0.19 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3a73 h LYS 413 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3a73 h LYS 413 CO -0.01 0.73 0.07 0.87 -0.57 0.00 0.00 179.45 180.54 3a73 h LYS 414 N 0.82 0.91 -1.98 3.15 1.57 -1.23 -2.59 116.57 117.23 3a73 h LYS 414 Ca 0.20 -0.25 -0.54 0.00 -1.87 0.00 0.00 60.65 58.19 3a73 h LYS 414 Cb 0.17 -0.10 -0.39 0.00 0.08 0.00 0.00 32.23 31.99 3a73 h LYS 414 CO -0.02 0.89 -1.12 1.33 -0.57 0.00 0.00 179.45 179.95 3a73 n VAL 415 N -4.35 -0.56 0.30 0.50 0.24 -0.70 -3.78 118.33 109.97 3a73 n VAL 415 Ca 0.02 -4.12 0.18 0.00 -2.04 0.00 0.00 64.34 58.38 3a73 n VAL 415 Cb 0.27 -1.51 0.88 0.00 -1.47 0.00 0.00 33.84 32.02 3a73 n VAL 415 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3a73 h PRO 416 N 3.76 0.00 -0.47 7.34 0.13 -1.28 -2.04 132.00 139.44 3a73 h PRO 416 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3a73 h PRO 416 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3a73 h PRO 416 CO 0.47 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.24 3a73 n GLN 417 N -2.82 2.12 -2.36 0.86 0.00 -1.26 -4.83 117.38 109.09 3a73 n GLN 417 Ca -0.01 -1.74 -0.36 0.00 0.00 0.00 0.00 57.00 54.89 3a73 n GLN 417 Cb 0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 30.24 28.98 3a73 n GLN 417 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3a73 s VAL 418 N -1.37 3.35 0.81 -0.39 1.01 -0.77 -4.87 120.40 118.17 3a73 s VAL 418 Ca 0.33 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 3a73 s VAL 418 Cb 0.17 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 33.16 3a73 s VAL 418 CO 0.23 -0.06 1.09 -0.94 0.00 0.00 0.00 175.10 175.42 3a73 s SER 419 N -1.55 4.25 0.11 3.32 1.04 -1.26 -4.83 113.70 114.79 3a73 s SER 419 Ca 0.64 1.61 -0.18 0.00 0.48 0.00 0.00 55.95 58.51 3a73 s SER 419 Cb -0.25 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 3a73 s SER 419 CO 0.30 -2.16 1.62 0.74 0.98 0.00 0.00 173.24 174.71 3a73 h THR 420 N -1.22 1.21 -0.84 2.02 2.02 -1.95 -2.08 112.91 112.07 3a73 h THR 420 Ca -0.46 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.11 3a73 h THR 420 Cb 1.25 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 3a73 h THR 420 CO 0.54 0.22 0.52 -0.65 0.37 0.00 0.00 175.52 176.53 3a73 h PRO 421 N 0.32 0.94 -0.12 6.66 0.11 -1.98 -1.23 132.00 136.70 3a73 h PRO 421 Ca 0.10 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3a73 h PRO 421 Cb 0.26 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3a73 h PRO 421 CO -0.00 0.62 0.02 1.15 -0.21 0.00 0.00 178.00 179.59 3a73 h THR 422 N 0.97 1.21 -0.61 -1.15 2.02 -1.89 0.39 112.91 113.86 3a73 h THR 422 Ca 0.36 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.97 3a73 h THR 422 Cb 0.13 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 3a73 h THR 422 CO -0.16 0.19 0.26 -0.07 0.37 0.00 0.00 175.52 176.11 3a73 h LEU 423 N -0.02 0.30 0.06 2.58 3.38 -1.25 0.82 115.31 121.18 3a73 h LEU 423 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3a73 h LEU 423 Cb 0.27 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3a73 h LEU 423 CO 0.00 0.19 -0.06 0.58 0.09 0.00 0.00 178.44 179.24 3a73 h VAL 424 N 0.47 0.87 0.01 1.22 2.07 -1.05 -1.79 116.25 118.05 3a73 h VAL 424 Ca 0.30 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.82 3a73 h VAL 424 Cb 0.32 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3a73 h VAL 424 CO -0.27 0.00 -0.00 -0.33 0.02 0.00 0.00 177.57 176.99 3a73 h GLU 425 N -0.13 -0.01 -0.42 1.57 3.07 0.11 -0.79 114.58 117.98 3a73 h GLU 425 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3a73 h GLU 425 Cb 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3a73 h GLU 425 CO -0.01 0.05 0.14 -0.39 -1.40 0.00 0.00 179.01 177.40 3a73 h VAL 426 N -0.07 1.17 -0.13 3.13 -1.51 0.66 -1.67 116.25 117.83 3a73 h VAL 426 Ca -0.00 -0.57 -0.22 0.00 -1.23 0.00 0.00 66.70 64.67 3a73 h VAL 426 Cb 0.07 0.70 0.01 0.00 -2.13 0.00 0.00 31.29 29.93 3a73 h VAL 426 CO 0.00 0.22 -0.80 0.28 -1.23 0.00 0.00 177.57 176.03 3a73 h SER 427 N 0.60 0.88 -0.65 4.19 0.02 -1.07 0.20 113.55 117.72 3a73 h SER 427 Ca 0.15 -0.59 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 3a73 h SER 427 Cb 0.17 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3a73 h SER 427 CO -0.01 1.38 0.27 0.03 -1.14 0.00 0.00 176.83 177.36 3a73 h ARG 428 N 0.49 1.00 -0.09 3.45 3.08 -0.81 -0.58 114.38 120.93 3a73 h ARG 428 Ca -0.06 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 3a73 h ARG 428 Cb 1.43 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3a73 h ARG 428 CO 0.16 0.82 -0.37 -0.91 -1.07 0.00 0.00 179.97 178.60 3a73 h ASN 429 N 0.98 0.48 -0.95 7.04 -0.26 -1.16 -1.84 115.58 119.86 3a73 h ASN 429 Ca 0.23 -0.63 0.13 0.00 -0.56 0.00 0.00 56.30 55.46 3a73 h ASN 429 Cb 0.20 -0.14 -0.09 0.00 -1.06 0.00 0.00 38.32 37.23 3a73 h ASN 429 CO -0.02 1.03 0.57 -0.07 -1.06 0.00 0.00 177.43 177.88 3a73 h LEU 430 N -0.05 0.80 -1.67 1.61 3.38 -0.95 0.14 115.31 118.57 3a73 h LEU 430 Ca -0.02 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a73 h LEU 430 Cb 1.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3a73 h LEU 430 CO 0.08 0.40 0.29 1.23 0.09 0.00 0.00 178.44 180.53 3a73 h GLY 431 N 0.87 0.49 1.81 0.83 0.00 -0.56 -0.67 103.07 105.84 3a73 h GLY 431 Ca 0.48 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 3a73 h GLY 431 CO -0.29 0.14 -0.66 0.50 0.00 0.00 0.00 176.54 176.23 3a73 h LYS 432 N 0.42 0.19 -0.25 4.80 1.57 0.01 -2.49 116.57 120.82 3a73 h LYS 432 Ca 0.18 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3a73 h LYS 432 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3a73 h LYS 432 CO -0.04 0.78 -0.29 -0.24 -0.57 0.00 0.00 179.45 179.09 3a73 h VAL 433 N 0.14 1.28 -0.30 0.50 3.04 0.34 -1.61 116.25 119.63 3a73 h VAL 433 Ca -0.01 -1.35 0.01 0.00 -1.01 0.00 0.00 66.70 64.34 3a73 h VAL 433 Cb 1.18 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.84 3a73 h VAL 433 CO 0.10 0.43 0.19 1.23 -1.01 0.00 0.00 177.57 178.51 3a73 h GLY 434 N 1.03 0.41 2.00 3.17 0.00 -1.04 0.24 103.07 108.89 3a73 h GLY 434 Ca 0.06 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3a73 h GLY 434 CO 0.06 0.14 -0.70 0.23 0.00 0.00 0.00 176.54 176.26 3a73 h SER 435 N 0.39 0.00 0.28 0.19 0.87 -1.14 0.04 113.55 114.18 3a73 h SER 435 Ca 0.11 -0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.33 3a73 h SER 435 Cb -0.03 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3a73 h SER 435 CO -0.03 0.71 -1.70 0.07 -0.53 0.00 0.00 176.83 175.34 3a73 h LYS 436 N 0.00 0.33 0.06 2.24 2.10 -1.28 -3.40 116.57 116.63 3a73 h LYS 436 Ca -0.01 -0.56 -0.27 0.00 -2.00 0.00 0.00 60.65 57.81 3a73 h LYS 436 Cb 1.25 0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.76 3a73 h LYS 436 CO 0.09 1.22 -1.39 0.00 -2.00 0.00 0.00 179.45 177.37 3a73 h LYS 439 N 0.00 0.00 -6.97 0.00 1.79 -1.77 -3.45 116.57 106.17 3a73 h LYS 439 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3a73 h LYS 439 Cb 0.19 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.90 3a73 h LYS 439 CO 0.00 0.00 0.49 -1.01 -1.08 0.00 0.00 179.45 177.85 3a73 s HIS 440 N -3.19 2.99 1.21 -1.35 3.76 -0.81 -5.04 115.29 112.86 3a73 s HIS 440 Ca 0.08 1.55 -0.15 0.00 -0.15 0.00 0.00 55.06 56.39 3a73 s HIS 440 Cb 0.10 -3.37 0.30 0.00 1.11 0.00 0.00 32.58 30.71 3a73 s HIS 440 CO 0.60 -1.37 1.01 -1.25 -0.85 0.00 0.00 174.74 172.88 3a73 s PRO 441 N -2.51 -1.31 0.27 8.40 0.04 -1.26 -4.78 135.00 133.85 3a73 s PRO 441 Ca 0.60 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.25 3a73 s PRO 441 Cb -0.29 -1.53 0.59 0.00 0.04 0.00 0.00 34.50 33.31 3a73 s PRO 441 CO 0.36 -3.93 1.73 0.93 0.04 0.00 0.00 177.00 176.14 3a73 h GLU 442 N -2.76 0.49 0.00 4.56 4.39 -1.96 -2.52 114.58 116.79 3a73 h GLU 442 Ca -0.58 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3a73 h GLU 442 Cb 1.34 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3a73 h GLU 442 CO 0.47 0.33 0.00 0.00 -1.16 0.00 0.00 179.01 178.65 3a73 n ALA 443 N -2.47 2.48 0.00 3.43 0.00 -1.26 -2.27 120.51 120.42 3a73 n ALA 443 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3a73 n ALA 443 Cb 0.51 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3a73 n ALA 443 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a73 n LYS 444 N -0.75 -0.12 0.09 0.00 4.01 -0.95 -4.20 118.16 116.23 3a73 n LYS 444 Ca 0.11 -0.45 -0.22 0.00 -0.51 0.00 0.00 58.31 57.24 3a73 n LYS 444 Cb 0.05 -0.95 -0.14 0.00 -0.51 0.00 0.00 35.03 33.48 3a73 n LYS 444 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3a73 h ARG 445 N 0.01 0.53 -0.04 1.97 3.08 -1.39 -2.92 114.38 115.62 3a73 h ARG 445 Ca 0.00 -0.77 -0.00 0.00 0.07 0.00 0.00 59.98 59.28 3a73 h ARG 445 Cb 0.00 0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3a73 h ARG 445 CO 0.00 1.35 0.01 1.98 -1.07 0.00 0.00 179.97 182.24 3a73 h MET 446 N 0.09 0.07 -0.90 0.04 4.05 -1.77 0.48 114.93 117.00 3a73 h MET 446 Ca -0.19 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.31 3a73 h MET 446 Cb 1.87 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.59 3a73 h MET 446 CO 0.22 0.26 0.54 -1.35 0.23 0.00 0.00 176.91 176.82 3a73 h PRO 447 N -0.13 0.89 0.36 0.39 0.11 -1.74 -0.53 132.00 131.34 3a73 h PRO 447 Ca 0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3a73 h PRO 447 Cb 0.22 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3a73 h PRO 447 CO -0.00 0.59 -0.34 0.00 -0.21 0.00 0.00 178.00 178.04 3a73 h ALA 449 N -0.23 0.19 -0.26 0.00 0.00 -0.53 -1.82 119.26 116.61 3a73 h ALA 449 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3a73 h ALA 449 Cb 0.64 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3a73 h ALA 449 CO -0.05 -0.44 -0.07 1.49 0.00 0.00 0.00 179.25 180.18 3a73 h GLU 450 N 0.06 -0.01 -0.36 0.00 4.81 -1.06 -0.22 114.58 117.79 3a73 h GLU 450 Ca 0.11 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3a73 h GLU 450 Cb 0.14 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 3a73 h GLU 450 CO -0.19 -0.00 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.21 3a73 h ASP 451 N -0.01 -1.47 -0.23 1.04 5.19 -0.40 -1.97 116.42 118.58 3a73 h ASP 451 Ca 0.12 0.20 -0.15 0.00 -0.62 0.00 0.00 57.03 56.58 3a73 h ASP 451 Cb 0.19 0.61 0.00 0.00 0.18 0.00 0.00 39.33 40.31 3a73 h ASP 451 CO -0.27 -0.30 -0.43 1.88 -3.12 0.00 0.00 179.24 177.00 3a73 h TYR 452 N -0.28 0.88 -0.46 4.55 0.05 -1.25 -3.10 116.97 117.36 3a73 h TYR 452 Ca 0.06 -0.31 -0.07 0.00 0.05 0.00 0.00 58.73 58.46 3a73 h TYR 452 Cb 0.45 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3a73 h TYR 452 CO -0.73 1.09 0.01 -0.07 -1.05 0.00 0.00 178.16 177.42 3a73 h LEU 453 N 0.42 0.70 -1.06 3.88 -0.00 -1.05 0.10 115.31 118.30 3a73 h LEU 453 Ca 0.01 -0.16 -0.07 0.00 -0.00 0.00 0.00 57.88 57.66 3a73 h LEU 453 Cb 1.03 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.49 3a73 h LEU 453 CO 0.10 0.77 -0.13 0.77 -0.00 0.00 0.00 178.44 179.94 3a73 h SER 454 N 0.70 0.50 0.10 -0.43 4.64 -1.34 0.16 113.55 117.87 3a73 h SER 454 Ca 0.14 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a73 h SER 454 Cb 0.41 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3a73 h SER 454 CO 0.02 0.66 -0.05 0.58 -0.87 0.00 0.00 176.83 177.17 3a73 h VAL 455 N 0.47 0.98 -0.33 0.95 2.07 -1.38 -1.09 116.25 117.91 3a73 h VAL 455 Ca 0.09 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 3a73 h VAL 455 Cb 0.51 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3a73 h VAL 455 CO 0.03 0.06 -0.27 0.58 0.02 0.00 0.00 177.57 178.00 3a73 h VAL 456 N -0.25 1.28 -0.03 2.57 2.07 -0.40 -2.40 116.25 119.08 3a73 h VAL 456 Ca -0.01 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 3a73 h VAL 456 Cb 0.21 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3a73 h VAL 456 CO 0.02 0.45 -0.20 -0.07 0.02 0.00 0.00 177.57 177.79 3a73 h LEU 457 N 0.59 0.23 -1.02 2.57 3.38 -0.77 -2.28 115.31 118.01 3a73 h LEU 457 Ca 0.08 -0.68 0.10 0.00 0.09 0.00 0.00 57.88 57.46 3a73 h LEU 457 Cb 0.76 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 3a73 h LEU 457 CO 0.06 0.88 0.64 -1.13 0.09 0.00 0.00 178.44 178.98 3a73 h ASN 458 N -0.40 0.97 -0.06 -0.43 -1.24 -1.05 0.28 115.58 113.64 3a73 h ASN 458 Ca -0.02 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 56.89 3a73 h ASN 458 Cb 0.88 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 3a73 h ASN 458 CO 0.04 0.55 -0.44 1.56 -1.29 0.00 0.00 177.43 177.86 3a73 h GLN 459 N 1.06 0.60 -0.44 6.67 1.08 -1.50 0.43 115.11 123.01 3a73 h GLN 459 Ca 0.47 -0.32 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 3a73 h GLN 459 Cb 0.37 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.74 3a73 h GLN 459 CO -0.23 0.92 -0.08 1.25 -0.95 0.00 0.00 178.83 179.74 3a73 h LEU 460 N 0.48 -0.35 -0.70 1.46 5.85 -0.72 0.08 115.31 121.41 3a73 h LEU 460 Ca 0.03 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 3a73 h LEU 460 Cb 0.96 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3a73 h LEU 460 CO 0.09 -0.12 -0.64 0.00 -0.34 0.00 0.00 178.44 177.43 3a73 h VAL 462 N 0.04 1.31 0.14 0.00 2.07 -0.36 -2.01 116.25 117.44 3a73 h VAL 462 Ca -0.01 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3a73 h VAL 462 Cb 1.13 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3a73 h VAL 462 CO 0.09 0.35 -0.21 -0.07 0.02 0.00 0.00 177.57 177.75 3a73 h LEU 463 N 0.13 -0.61 -0.76 2.57 3.38 -0.85 -3.18 115.31 115.99 3a73 h LEU 463 Ca 0.05 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.24 3a73 h LEU 463 Cb 0.59 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 3a73 h LEU 463 CO 0.03 -0.26 -0.09 -0.74 0.09 0.00 0.00 178.44 177.47 3a73 h HIS 464 N -0.37 -0.22 -3.77 1.13 2.76 -1.24 -3.23 115.15 110.20 3a73 h HIS 464 Ca -0.02 0.06 -0.55 0.00 -2.20 0.00 0.00 60.37 57.67 3a73 h HIS 464 Cb 0.34 0.22 0.11 0.00 1.55 0.00 0.00 27.41 29.63 3a73 h HIS 464 CO -0.23 -0.29 0.70 -0.85 -1.30 0.00 0.00 177.93 175.96 3a73 n GLU 465 N -5.43 2.52 -0.53 5.26 -0.00 -0.76 0.14 120.64 121.85 3a73 n GLU 465 Ca 0.12 0.88 0.00 0.00 -0.00 0.00 0.00 57.16 58.17 3a73 n GLU 465 Cb 0.44 -2.58 0.00 0.00 -0.00 0.00 0.00 31.44 29.30 3a73 n GLU 465 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3a73 n LYS 466 N 0.43 0.00 -2.70 3.44 4.76 -1.26 -4.65 118.16 118.17 3a73 n LYS 466 Ca 0.02 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 3a73 n LYS 466 Cb 0.38 -3.10 0.09 0.00 -1.84 0.00 0.00 35.03 30.56 3a73 n LYS 466 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3a73 n THR 467 N -2.00 0.26 -1.77 -0.18 -1.04 0.12 -5.13 114.28 104.55 3a73 n THR 467 Ca 0.00 -1.98 -0.42 0.00 -2.04 0.00 0.00 64.05 59.61 3a73 n THR 467 Cb 0.00 0.91 -0.03 0.00 -1.82 0.00 0.00 70.33 69.39 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 -0.74 4.14 0.00 -2.82 0.02 0.33 -4.64 135.00 131.28 3a73 s PRO 468 Ca 0.24 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3a73 s PRO 468 Cb 0.41 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.86 3a73 s PRO 468 CO -0.05 -0.70 0.00 1.33 -0.33 0.00 0.00 177.00 177.25 3a73 n VAL 469 N 3.48 0.00 -3.67 3.83 0.24 -1.26 -5.07 118.33 115.89 3a73 n VAL 469 Ca 0.13 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 3a73 n VAL 469 Cb 0.36 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.28 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 -1.34 0.23 0.36 -1.34 0.15 -1.26 -4.88 113.70 105.62 3a73 s SER 470 Ca 0.00 0.66 0.10 0.00 0.70 0.00 0.00 55.95 57.40 3a73 s SER 470 Cb 0.00 0.79 0.84 0.00 -1.71 0.00 0.00 66.02 65.94 3a73 s SER 470 CO 0.00 -0.24 1.86 -2.24 1.20 0.00 0.00 173.24 173.83 3a73 h ASP 471 N 8.22 0.63 -0.54 5.45 2.03 -1.99 -1.03 116.42 129.20 3a73 h ASP 471 Ca -0.16 0.04 -0.11 0.00 -0.73 0.00 0.00 57.03 56.08 3a73 h ASP 471 Cb 1.11 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.52 3a73 h ASP 471 CO 0.14 0.31 -0.08 0.03 -1.03 0.00 0.00 179.24 178.61 3a73 h ARG 472 N 0.66 1.02 -0.68 4.15 3.08 -1.99 0.47 114.38 121.09 3a73 h ARG 472 Ca 0.45 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 3a73 h ARG 472 Cb 0.77 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 3a73 h ARG 472 CO -0.21 1.04 0.24 0.28 -1.07 0.00 0.00 179.97 180.26 3a73 h VAL 473 N 0.91 1.24 -0.36 2.04 2.07 -1.83 -2.00 116.25 118.32 3a73 h VAL 473 Ca 0.15 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3a73 h VAL 473 Cb 0.64 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3a73 h VAL 473 CO 0.04 0.31 -0.20 0.74 0.02 0.00 0.00 177.57 178.49 3a73 h THR 474 N 0.99 1.27 0.38 2.57 2.02 -0.92 -0.64 112.91 118.58 3a73 h THR 474 Ca 0.23 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 3a73 h THR 474 Cb 0.23 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3a73 h THR 474 CO -0.01 0.42 -0.42 0.50 0.37 0.00 0.00 175.52 176.38 3a73 h LYS 475 N 0.62 -0.80 -0.35 6.66 3.64 -0.72 -2.42 116.57 123.20 3a73 h LYS 475 Ca 0.09 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3a73 h LYS 475 Cb 0.68 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 3a73 h LYS 475 CO 0.05 -0.53 0.20 0.00 -2.27 0.00 0.00 179.45 176.90 3a73 n THR 478 N -1.54 0.00 -0.99 0.00 -2.24 -0.94 -5.02 114.28 103.56 3a73 n THR 478 Ca 0.06 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 3a73 n THR 478 Cb 0.31 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.31 -0.05 -0.72 -0.78 -0.58 -0.60 -4.98 120.64 112.62 3a73 n GLU 479 Ca 0.00 -0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 3a73 n GLU 479 Cb 0.04 -1.23 0.15 0.00 -0.57 0.00 0.00 31.44 29.84 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 2.19 -2.36 -0.10 1.62 3.41 -1.26 -4.78 113.62 112.34 3a73 n SER 480 Ca 0.01 0.01 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3a73 n SER 480 Cb 0.54 -1.01 0.08 0.00 -0.26 0.00 0.00 64.21 63.56 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 -1.90 0.81 -0.72 1.04 5.85 -1.99 -2.37 115.31 116.04 3a73 h LEU 481 Ca -0.51 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 57.92 3a73 h LEU 481 Cb 1.34 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3a73 h LEU 481 CO 0.37 1.00 -0.26 1.33 -0.34 0.00 0.00 178.44 180.54 3a73 n VAL 482 N -4.12 0.00 0.43 1.05 0.24 -1.26 -3.99 118.33 110.68 3a73 n VAL 482 Ca 0.00 -0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.22 3a73 n VAL 482 Cb 0.43 0.64 -0.12 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.33 0.46 0.16 -1.34 3.02 -0.91 -4.63 115.26 111.69 3a73 n ASN 483 Ca 0.12 -0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.17 3a73 n ASN 483 Cb 0.39 1.42 -0.07 0.00 -0.61 0.00 0.00 39.78 40.91 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 0.00 -0.59 -0.18 3.52 2.43 -1.64 0.10 114.38 118.03 3a73 h ARG 484 Ca 0.00 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3a73 h ARG 484 Cb 0.79 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3a73 h ARG 484 CO 0.00 -0.40 -0.11 -0.09 -1.51 0.00 0.00 179.97 177.86 3a73 h ARG 485 N -0.62 0.39 -0.96 0.20 1.12 -1.86 -2.25 114.38 110.41 3a73 h ARG 485 Ca 0.01 -0.18 0.18 0.00 -1.11 0.00 0.00 59.98 58.88 3a73 h ARG 485 Cb 0.61 -0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 30.47 3a73 h ARG 485 CO -0.14 0.72 0.61 -1.35 -3.11 0.00 0.00 179.97 176.70 3a73 h PRO 486 N 0.06 0.63 -0.21 0.20 0.11 -1.80 -1.32 132.00 129.68 3a73 h PRO 486 Ca 0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3a73 h PRO 486 Cb 0.62 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3a73 h PRO 486 CO 0.03 0.42 0.01 0.00 -0.21 0.00 0.00 178.00 178.25 3a73 h PHE 488 N 0.13 1.11 0.00 0.00 -1.00 -1.10 -2.53 116.94 113.55 3a73 h PHE 488 Ca 0.06 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 3a73 h PHE 488 Cb 0.37 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 3a73 h PHE 488 CO 0.03 0.68 -0.25 0.77 -1.61 0.00 0.00 178.31 177.93 3a73 h SER 489 N 1.19 0.00 -0.02 2.17 0.02 -0.63 -2.26 113.55 114.02 3a73 h SER 489 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3a73 h SER 489 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3a73 h SER 489 CO -0.08 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 3a73 n ALA 490 N -2.48 2.62 -1.83 3.77 0.00 -0.51 -4.88 120.51 117.21 3a73 n ALA 490 Ca -0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 3a73 n ALA 490 Cb 0.31 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3a73 n ALA 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a73 s LEU 491 N -1.90 4.37 0.54 0.00 1.02 -0.85 -5.01 118.68 116.84 3a73 s LEU 491 Ca 0.40 2.79 0.04 0.00 0.02 0.00 0.00 54.13 57.38 3a73 s LEU 491 Cb 0.20 -3.63 0.02 0.00 0.02 0.00 0.00 46.19 42.81 3a73 s LEU 491 CO 0.33 -0.78 0.29 -1.61 0.02 0.00 0.00 176.35 174.59 3a73 s GLU 492 N -0.50 2.24 0.18 1.70 2.02 -1.26 -5.02 118.70 118.06 3a73 s GLU 492 Ca 0.60 -2.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.15 3a73 s GLU 492 Cb -0.44 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.77 3a73 s GLU 492 CO 0.46 -0.55 1.37 0.08 0.02 0.00 0.00 175.26 176.64 3a73 s VAL 493 N -2.81 3.10 -0.32 2.63 1.01 -1.26 -4.40 120.40 118.35 3a73 s VAL 493 Ca 0.25 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 3a73 s VAL 493 Cb -0.01 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3a73 s VAL 493 CO 0.16 0.11 1.54 -0.62 0.00 0.00 0.00 175.10 176.29 3a73 s ASP 494 N 0.62 6.31 0.00 3.32 -1.08 -0.97 -4.85 116.67 120.01 3a73 s ASP 494 Ca 0.60 1.24 0.27 0.00 -0.52 0.00 0.00 52.55 54.15 3a73 s ASP 494 Cb -0.38 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.45 3a73 s ASP 494 CO 0.36 -1.38 1.66 1.21 0.52 0.00 0.00 175.17 177.54 3a73 n GLU 495 N 7.90 0.73 0.10 4.34 4.07 -1.26 -3.68 120.64 132.84 3a73 n GLU 495 Ca 0.18 -0.38 -0.01 0.00 -0.06 0.00 0.00 57.16 56.90 3a73 n GLU 495 Cb 0.47 -1.49 -0.03 0.00 -0.06 0.00 0.00 31.44 30.32 3a73 n GLU 495 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3a73 h THR 496 N 0.92 1.05 -3.16 6.31 1.35 -2.00 -3.48 112.91 113.90 3a73 h THR 496 Ca 0.00 -2.53 -0.54 0.00 -0.55 0.00 0.00 66.41 62.79 3a73 h THR 496 Cb 0.46 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 3a73 h THR 496 CO 0.00 0.60 0.60 -0.47 -0.25 0.00 0.00 175.52 176.00 3a73 s TYR 497 N -2.88 3.35 -0.06 4.73 6.14 -1.24 -5.01 117.35 122.39 3a73 s TYR 497 Ca 0.02 1.28 -0.26 0.00 0.64 0.00 0.00 57.07 58.76 3a73 s TYR 497 Cb 0.08 -3.41 -0.03 0.00 0.42 0.00 0.00 41.96 39.02 3a73 s TYR 497 CO 0.78 -1.24 0.79 0.08 0.64 0.00 0.00 175.55 176.60 3a73 s VAL 498 N 1.48 4.98 0.26 3.14 1.01 -1.26 -4.99 120.40 125.02 3a73 s VAL 498 Ca 0.58 1.64 -0.28 0.00 0.00 0.00 0.00 61.98 63.92 3a73 s VAL 498 Cb -0.27 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 31.83 3a73 s VAL 498 CO 0.27 0.20 0.87 -2.65 0.00 0.00 0.00 175.10 173.79 3a73 n PRO 499 N 3.96 0.97 -2.06 2.72 -0.02 -1.26 -4.92 135.00 134.39 3a73 n PRO 499 Ca 0.01 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.44 3a73 n PRO 499 Cb 0.51 -1.61 -0.01 0.00 -0.02 0.00 0.00 33.50 32.37 3a73 n PRO 499 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3a73 s LYS 500 N -1.39 4.10 0.55 -0.52 2.20 -0.26 -4.99 119.74 119.43 3a73 s LYS 500 Ca 0.60 2.20 -0.19 0.00 -0.36 0.00 0.00 55.97 58.22 3a73 s LYS 500 Cb -0.77 -2.87 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3a73 s LYS 500 CO 0.59 -0.40 1.13 -2.00 -0.36 0.00 0.00 175.35 174.31 3a73 s GLU 501 N -2.09 3.32 0.22 4.03 2.12 -1.26 -4.46 118.70 120.58 3a73 s GLU 501 Ca 0.54 1.61 -0.32 0.00 0.36 0.00 0.00 54.97 57.16 3a73 s GLU 501 Cb -0.39 -2.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.87 3a73 s GLU 501 CO 0.51 -0.87 1.62 0.34 -0.54 0.00 0.00 175.26 176.32 3a73 n PHE 502 N -1.35 2.57 -4.10 5.30 -0.00 -1.26 -4.97 117.46 113.65 3a73 n PHE 502 Ca 0.12 0.19 -0.33 0.00 -0.00 0.00 0.00 57.45 57.43 3a73 n PHE 502 Cb 0.51 -2.60 -0.16 0.00 -0.00 0.00 0.00 39.48 37.24 3a73 n PHE 502 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3a73 s ASN 503 N 0.85 3.50 0.19 -2.13 3.84 -1.26 -5.02 114.94 114.91 3a73 s ASN 503 Ca 0.73 -0.82 -0.17 0.00 0.21 0.00 0.00 52.86 52.82 3a73 s ASN 503 Cb -0.57 -1.51 0.16 0.00 -0.55 0.00 0.00 41.25 38.78 3a73 s ASN 503 CO 0.39 -0.05 1.62 0.00 -2.79 0.00 0.00 177.10 176.28 3a73 h ALA 504 N 7.91 0.23 -0.12 1.71 0.00 -1.97 -2.72 119.26 124.30 3a73 h ALA 504 Ca -0.39 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3a73 h ALA 504 Cb 1.12 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3a73 h ALA 504 CO 0.60 -0.51 -0.04 0.93 0.00 0.00 0.00 179.25 180.22 3a73 h GLU 505 N -0.07 0.17 -0.28 0.00 3.07 -1.95 -3.08 114.58 112.44 3a73 h GLU 505 Ca 0.25 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 3a73 h GLU 505 Cb 0.46 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3a73 h GLU 505 CO -0.58 0.23 0.02 1.15 -1.40 0.00 0.00 179.01 178.43 3a73 h THR 506 N 0.17 1.16 -1.49 1.13 2.02 -1.92 -2.60 112.91 111.38 3a73 h THR 506 Ca 0.04 -0.61 -0.63 0.00 0.77 0.00 0.00 66.41 65.98 3a73 h THR 506 Cb 0.19 0.92 -0.38 0.00 -1.74 0.00 0.00 68.15 67.15 3a73 h THR 506 CO 0.01 0.21 -0.25 0.49 0.37 0.00 0.00 175.52 176.35 3a73 n PHE 507 N -4.34 3.22 -4.53 3.16 3.01 -1.16 -4.84 117.46 111.97 3a73 n PHE 507 Ca 0.01 -2.81 -0.26 0.00 1.01 0.00 0.00 57.45 55.40 3a73 n PHE 507 Cb 0.20 -0.44 -0.17 0.00 -0.01 0.00 0.00 39.48 39.06 3a73 n PHE 507 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3a73 s THR 508 N -5.27 1.25 0.15 4.37 2.01 -0.98 -4.91 115.64 112.27 3a73 s THR 508 Ca 0.50 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.04 3a73 s THR 508 Cb 0.42 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 3a73 s THR 508 CO -0.20 0.39 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.61 3a73 s PHE 509 N 0.81 1.55 0.00 4.92 0.40 -1.26 -5.00 117.98 119.39 3a73 s PHE 509 Ca -0.11 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 3a73 s PHE 509 Cb -0.15 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.60 3a73 s PHE 509 CO 0.02 0.22 0.00 0.72 0.70 0.00 0.00 175.22 176.88 3a73 n HIS 510 N 0.20 0.00 0.10 0.36 8.25 -1.26 -4.72 115.22 118.15 3a73 n HIS 510 Ca -0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 3a73 n HIS 510 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 3a73 n HIS 510 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a73 h ALA 511 N 0.21 0.54 -0.50 -1.41 0.00 -2.00 -3.35 119.26 112.75 3a73 h ALA 511 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 54.29 3a73 h ALA 511 Cb 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 3a73 h ALA 511 CO 0.00 0.96 -0.46 0.38 0.00 0.00 0.00 179.25 180.13 3a73 h ASP 512 N 0.00 -1.54 -1.71 0.00 -0.00 -2.00 -1.18 116.42 109.99 3a73 h ASP 512 Ca -0.01 0.24 0.52 0.00 -0.00 0.00 0.00 57.03 57.78 3a73 h ASP 512 Cb 1.55 0.68 -0.10 0.00 -0.00 0.00 0.00 39.33 41.46 3a73 h ASP 512 CO 0.10 -0.36 1.19 0.00 -0.00 0.00 0.00 179.24 180.17 3a73 n ILE 513 N -5.40 -0.10 -0.32 4.15 3.06 -1.26 0.37 119.36 119.87 3a73 n ILE 513 Ca 0.00 1.57 -0.04 0.00 -2.50 0.00 0.00 62.75 61.79 3a73 n ILE 513 Cb 0.35 -2.60 0.08 0.00 0.54 0.00 0.00 39.64 38.01 3a73 n ILE 513 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3a73 n THR 515 N -4.47 0.93 -0.61 0.00 -2.24 1.16 -4.96 114.28 104.10 3a73 n THR 515 Ca 0.09 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 3a73 n THR 515 Cb 0.02 -0.42 0.20 0.00 -2.10 0.00 0.00 70.33 68.03 3a73 n THR 515 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3a73 n LEU 516 N -2.65 0.96 -4.29 3.22 4.77 -0.64 -4.98 117.00 113.38 3a73 n LEU 516 Ca -0.18 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3a73 n LEU 516 Cb 0.89 -1.35 0.26 0.00 -2.33 0.00 0.00 43.42 40.90 3a73 n LEU 516 CO 0.44 -2.76 0.30 -1.54 -1.33 0.00 0.00 177.39 172.49 3a73 n SER 517 N -4.09 -3.10 0.24 -1.43 3.41 -1.26 -4.72 113.62 102.66 3a73 n SER 517 Ca 0.08 -0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 58.04 3a73 n SER 517 Cb 0.53 -1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 3a73 n SER 517 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3a73 h GLU 518 N -3.12 -0.69 -0.48 4.33 4.39 -1.98 -1.81 114.58 115.22 3a73 h GLU 518 Ca -0.49 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.32 3a73 h GLU 518 Cb 1.29 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 30.01 3a73 h GLU 518 CO 0.34 -0.46 -0.55 -0.22 -1.16 0.00 0.00 179.01 176.96 3a73 h LYS 519 N -0.71 -0.33 -0.47 2.33 3.64 -1.99 -0.63 116.57 118.40 3a73 h LYS 519 Ca -0.06 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3a73 h LYS 519 Cb 0.59 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3a73 h LYS 519 CO 0.02 -0.22 0.18 0.93 -2.27 0.00 0.00 179.45 178.10 3a73 h GLU 520 N -0.34 0.71 -0.93 1.90 5.08 -1.93 0.45 114.58 119.52 3a73 h GLU 520 Ca 0.09 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3a73 h GLU 520 Cb 0.58 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 3a73 h GLU 520 CO -0.64 0.64 0.59 -0.09 -1.00 0.00 0.00 179.01 178.52 3a73 h ARG 521 N 0.62 0.85 -0.20 2.33 2.43 -1.17 0.18 114.38 119.41 3a73 h ARG 521 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3a73 h ARG 521 Cb 0.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3a73 h ARG 521 CO -0.01 0.56 0.11 1.96 -1.51 0.00 0.00 179.97 181.07 3a73 h GLN 522 N 0.87 0.29 0.25 0.20 4.20 0.14 -1.04 115.11 120.01 3a73 h GLN 522 Ca 0.45 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 3a73 h GLN 522 Cb 0.52 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3a73 h GLN 522 CO -0.21 0.28 -0.12 0.82 -0.67 0.00 0.00 178.83 178.93 3a73 h ILE 523 N 0.21 0.77 0.02 2.54 2.04 -0.60 0.30 117.51 122.80 3a73 h ILE 523 Ca 0.07 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3a73 h ILE 523 Cb 0.09 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3a73 h ILE 523 CO -0.01 0.01 -0.46 0.50 0.00 0.00 0.00 178.15 178.19 3a73 h LYS 524 N -0.35 -0.60 -0.87 2.37 3.64 -0.63 0.44 116.57 120.56 3a73 h LYS 524 Ca -0.03 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3a73 h LYS 524 Cb 0.27 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 3a73 h LYS 524 CO 0.06 -0.40 0.51 0.87 -2.27 0.00 0.00 179.45 178.22 3a73 h LYS 525 N -0.62 0.84 -0.22 1.90 1.57 -1.15 -1.87 116.57 117.02 3a73 h LYS 525 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3a73 h LYS 525 Cb 0.68 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3a73 h LYS 525 CO -0.32 0.55 -0.27 1.96 -0.57 0.00 0.00 179.45 180.80 3a73 h GLN 526 N 0.86 0.43 0.50 3.15 4.20 0.01 -0.42 115.11 123.84 3a73 h GLN 526 Ca 0.41 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 3a73 h GLN 526 Cb 0.36 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3a73 h GLN 526 CO -0.24 0.67 -0.24 1.15 -0.67 0.00 0.00 178.83 179.50 3a73 h THR 527 N 0.38 0.49 -0.74 -0.54 2.02 0.38 -1.60 112.91 113.31 3a73 h THR 527 Ca 0.05 -0.17 0.17 0.00 0.77 0.00 0.00 66.41 67.23 3a73 h THR 527 Cb 0.68 0.57 -0.12 0.00 -1.74 0.00 0.00 68.15 67.53 3a73 h THR 527 CO 0.05 0.03 0.08 0.00 0.37 0.00 0.00 175.52 176.05 3a73 h ALA 528 N -0.32 0.85 -0.11 6.16 0.00 -1.13 -0.47 119.26 124.24 3a73 h ALA 528 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a73 h ALA 528 Cb 0.56 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3a73 h ALA 528 CO 0.11 -0.40 0.07 1.25 0.00 0.00 0.00 179.25 180.29 3a73 h LEU 529 N 0.17 0.12 -0.04 0.00 5.85 -0.69 0.49 115.31 121.22 3a73 h LEU 529 Ca 0.41 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.14 3a73 h LEU 529 Cb 0.72 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3a73 h LEU 529 CO -0.59 0.10 -0.11 0.58 -0.34 0.00 0.00 178.44 178.09 3a73 h VAL 530 N 0.13 0.71 -0.91 1.05 2.07 -0.95 0.28 116.25 118.64 3a73 h VAL 530 Ca 0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.80 3a73 h VAL 530 Cb 0.00 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3a73 h VAL 530 CO -0.01 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.88 3a73 h GLU 531 N -0.17 0.18 -0.05 1.57 4.39 -0.58 0.48 114.58 120.40 3a73 h GLU 531 Ca 0.05 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3a73 h GLU 531 Cb 0.24 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3a73 h GLU 531 CO -0.14 0.12 -0.07 1.25 -1.16 0.00 0.00 179.01 179.01 3a73 h LEU 532 N 0.18 0.15 -0.77 1.33 5.85 0.34 -2.34 115.31 120.04 3a73 h LEU 532 Ca 0.46 -0.52 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3a73 h LEU 532 Cb 1.49 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3a73 h LEU 532 CO -0.09 0.64 0.21 0.58 -0.34 0.00 0.00 178.44 179.44 3a73 h VAL 533 N -0.34 1.26 -0.04 1.05 2.07 0.46 -1.95 116.25 118.77 3a73 h VAL 533 Ca 0.01 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3a73 h VAL 533 Cb 0.60 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3a73 h VAL 533 CO 0.02 0.36 0.03 0.11 0.02 0.00 0.00 177.57 178.11 3a73 h LYS 534 N 1.09 0.00 0.18 1.57 1.57 -0.01 0.01 116.57 120.97 3a73 h LYS 534 Ca 0.23 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.72 3a73 h LYS 534 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.65 3a73 h LYS 534 CO -0.01 0.00 -1.39 1.25 -0.57 0.00 0.00 179.45 178.74 3a73 h HIS 535 N 0.00 0.70 -2.20 -1.35 2.76 -1.03 -0.69 115.15 113.34 3a73 h HIS 535 Ca 0.02 -0.51 -0.59 0.00 -2.20 0.00 0.00 60.37 57.09 3a73 h HIS 535 Cb 0.08 -0.03 -0.42 0.00 1.55 0.00 0.00 27.41 28.59 3a73 h HIS 535 CO 0.00 1.54 -0.64 1.63 -1.30 0.00 0.00 177.93 179.16 3a73 n LYS 536 N -3.83 2.60 -0.34 5.26 4.76 -0.77 -4.38 118.16 121.46 3a73 n LYS 536 Ca -0.20 -4.63 0.36 0.00 -2.87 0.00 0.00 58.31 50.97 3a73 n LYS 536 Cb 0.99 -2.19 0.74 0.00 -1.84 0.00 0.00 35.03 32.73 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 3.84 0.00 -0.01 1.97 0.13 -1.19 -0.30 132.00 136.44 3a73 h PRO 537 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3a73 h PRO 537 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3a73 h PRO 537 CO 0.81 0.00 -0.08 1.63 -0.23 0.00 0.00 178.00 180.13 3a73 n LYS 538 N -4.06 1.03 -1.60 0.86 5.02 -1.26 -4.92 118.16 113.23 3a73 n LYS 538 Ca 0.27 -0.42 -0.54 0.00 -2.02 0.00 0.00 58.31 55.60 3a73 n LYS 538 Cb 1.32 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.78 3a73 n LYS 538 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a73 n ALA 539 N -0.62 -1.16 -1.49 7.82 0.00 -0.12 -4.97 120.51 119.96 3a73 n ALA 539 Ca 0.17 0.51 -0.29 0.00 0.00 0.00 0.00 53.44 53.83 3a73 n ALA 539 Cb 0.28 -2.06 0.14 0.00 0.00 0.00 0.00 19.45 17.81 3a73 n ALA 539 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3a73 s THR 540 N 0.80 2.00 0.18 0.00 -4.23 -1.26 -4.87 115.64 108.26 3a73 s THR 540 Ca 0.87 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 3a73 s THR 540 Cb -1.00 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 3a73 s THR 540 CO 0.50 0.00 1.49 0.07 -0.54 0.00 0.00 174.62 176.14 3a73 h LYS 541 N -1.55 0.61 -0.32 3.99 2.10 -1.99 -0.95 116.57 118.45 3a73 h LYS 541 Ca -0.51 -0.38 -0.00 0.00 -2.00 0.00 0.00 60.65 57.75 3a73 h LYS 541 Cb 1.33 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.69 3a73 h LYS 541 CO 0.61 1.00 0.19 0.93 -2.00 0.00 0.00 179.45 180.18 3a73 h GLU 542 N 0.47 0.44 -0.92 0.07 4.39 -1.99 -1.45 114.58 115.58 3a73 h GLU 542 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3a73 h GLU 542 Cb 1.10 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 3a73 h GLU 542 CO 0.11 0.35 0.52 1.96 -1.16 0.00 0.00 179.01 180.80 3a73 h GLN 543 N 0.41 1.28 0.12 2.33 4.20 -1.87 0.11 115.11 121.68 3a73 h GLN 543 Ca 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3a73 h GLN 543 Cb 0.03 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.56 3a73 h GLN 543 CO -0.02 0.92 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.93 3a73 h LEU 544 N 1.29 -0.14 -0.08 1.46 3.38 -1.01 -1.49 115.31 118.73 3a73 h LEU 544 Ca 0.33 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3a73 h LEU 544 Cb -0.00 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3a73 h LEU 544 CO -0.06 0.19 -0.38 0.50 0.09 0.00 0.00 178.44 178.79 3a73 h LYS 545 N -0.48 -0.47 -0.83 1.13 3.64 -1.09 0.55 116.57 119.02 3a73 h LYS 545 Ca -0.02 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.58 3a73 h LYS 545 Cb 0.39 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 3a73 h LYS 545 CO 0.03 -0.31 0.33 0.00 -2.27 0.00 0.00 179.45 177.22 3a73 h ALA 546 N 0.19 1.24 -0.07 5.00 0.00 -0.76 0.46 119.26 125.32 3a73 h ALA 546 Ca 0.07 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3a73 h ALA 546 Cb 0.60 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a73 h ALA 546 CO -0.34 -0.30 -0.66 0.28 0.00 0.00 0.00 179.25 178.23 3a73 h VAL 547 N 0.40 1.40 -0.41 0.00 2.07 0.15 -2.98 116.25 116.87 3a73 h VAL 547 Ca 0.49 -2.09 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 3a73 h VAL 547 Cb 0.87 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3a73 h VAL 547 CO -0.49 0.62 -0.30 0.24 0.02 0.00 0.00 177.57 177.66 3a73 h MET 548 N 0.20 0.90 -0.51 1.57 2.07 0.20 -2.30 114.93 117.06 3a73 h MET 548 Ca -0.01 -0.42 -0.03 0.00 -2.07 0.00 0.00 59.70 57.17 3a73 h MET 548 Cb 1.20 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.89 3a73 h MET 548 CO 0.11 1.08 0.20 -0.44 1.07 0.00 0.00 176.91 178.93 3a73 h ASP 549 N 0.76 0.66 1.74 1.22 3.32 -0.18 -2.35 116.42 121.58 3a73 h ASP 549 Ca 0.08 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3a73 h ASP 549 Cb 0.87 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3a73 h ASP 549 CO 0.08 0.59 -0.27 0.44 -1.72 0.00 0.00 179.24 178.36 3a73 h ASP 550 N 0.72 0.00 0.12 6.45 5.19 -1.44 -2.06 116.42 125.40 3a73 h ASP 550 Ca 0.17 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.35 3a73 h ASP 550 Cb 0.14 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.66 3a73 h ASP 550 CO -0.02 0.25 -0.91 0.15 -3.12 0.00 0.00 179.24 175.59 3a73 h PHE 551 N 0.00 0.84 0.00 4.55 3.57 -1.15 -0.40 116.94 124.35 3a73 h PHE 551 Ca -0.00 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3a73 h PHE 551 Cb 1.19 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3a73 h PHE 551 CO 0.00 1.24 -0.01 0.00 -2.23 0.00 0.00 178.31 177.32 3a73 h ALA 552 N 0.62 1.00 0.00 2.41 0.00 -1.33 0.16 119.26 122.11 3a73 h ALA 552 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3a73 h ALA 552 Cb 1.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3a73 h ALA 552 CO 0.17 0.01 -1.04 0.00 0.00 0.00 0.00 179.25 178.39 3a73 n ALA 553 N -2.10 2.58 0.10 0.00 0.00 -0.78 -0.69 120.51 119.62 3a73 n ALA 553 Ca 0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 3a73 n ALA 553 Cb 0.39 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 3a73 n ALA 553 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3a73 h PHE 554 N 0.00 1.02 -0.26 0.00 3.57 -0.66 -3.05 116.94 117.55 3a73 h PHE 554 Ca 0.00 -0.66 -0.16 0.00 3.53 0.00 0.00 57.97 60.69 3a73 h PHE 554 Cb 0.98 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 3a73 h PHE 554 CO 0.00 1.50 -0.44 -0.39 -2.23 0.00 0.00 178.31 176.75 3a73 h VAL 555 N 0.25 1.30 0.50 1.41 -1.51 -1.05 -2.46 116.25 114.69 3a73 h VAL 555 Ca -0.20 -1.64 -0.02 0.00 -1.23 0.00 0.00 66.70 63.61 3a73 h VAL 555 Cb 1.97 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 3a73 h VAL 555 CO 0.25 0.53 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.77 3a73 h GLU 556 N 0.51 -0.68 0.00 5.19 4.22 -0.99 -2.86 114.58 119.96 3a73 h GLU 556 Ca 0.02 0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.38 3a73 h GLU 556 Cb 1.04 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3a73 h GLU 556 CO 0.10 -0.46 -1.02 0.87 -2.18 0.00 0.00 179.01 176.33 3a73 h LYS 557 N -0.71 0.00 -0.24 1.92 6.56 -1.66 -3.34 116.57 119.10 3a73 h LYS 557 Ca -0.06 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.43 3a73 h LYS 557 Cb 0.56 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.22 3a73 h LYS 557 CO 0.09 0.32 -0.22 0.00 -2.06 0.00 0.00 179.45 177.58 3a73 h PHE 568 N 0.00 0.24 0.06 0.00 0.04 -1.92 -3.26 116.94 112.10 3a73 h PHE 568 Ca -0.11 -0.12 -0.37 0.00 2.80 0.00 0.00 57.97 60.16 3a73 h PHE 568 Cb 0.54 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 3a73 h PHE 568 CO 0.15 0.89 -2.19 0.00 -0.60 0.00 0.00 178.31 176.56 3a73 n ALA 569 N -2.45 1.17 -0.02 2.45 0.00 -1.26 -3.17 120.51 117.22 3a73 n ALA 569 Ca -0.03 -0.84 -0.18 0.00 0.00 0.00 0.00 53.44 52.39 3a73 n ALA 569 Cb 0.75 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.62 3a73 n ALA 569 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3a73 h GLU 570 N 0.04 0.14 -0.10 0.00 4.11 -1.99 -2.39 114.58 114.38 3a73 h GLU 570 Ca -0.48 -0.24 0.03 0.00 0.07 0.00 0.00 59.36 58.73 3a73 h GLU 570 Cb 1.99 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.30 3a73 h GLU 570 CO 0.02 1.11 -0.06 0.93 0.07 0.00 0.00 179.01 181.09 3a73 h GLU 571 N -0.67 -0.05 -0.59 1.06 4.39 -1.81 -2.54 114.58 114.37 3a73 h GLU 571 Ca -0.15 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.64 3a73 h GLU 571 Cb 1.39 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 3a73 h GLU 571 CO 0.03 -0.03 0.40 0.78 -1.16 0.00 0.00 179.01 179.02 3a73 h GLY 572 N -0.05 0.57 1.34 -3.84 0.00 -1.67 2.58 103.07 102.01 3a73 h GLY 572 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3a73 h GLY 572 CO -0.14 0.10 0.44 1.70 0.00 0.00 0.00 176.54 178.65 3a73 h LYS 573 N 0.41 0.89 -0.00 4.80 3.64 -1.16 0.13 116.57 125.28 3a73 h LYS 573 Ca 0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3a73 h LYS 573 Cb 0.52 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3a73 h LYS 573 CO -0.07 0.59 -0.88 0.36 -2.27 0.00 0.00 179.45 177.18 3a73 n LYS 574 N -4.43 0.05 0.04 1.90 2.85 0.66 -1.56 118.16 117.67 3a73 n LYS 574 Ca 0.07 -0.04 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 3a73 n LYS 574 Cb 0.04 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 32.83 3a73 n LYS 574 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3a73 h LEU 575 N 0.10 -0.09 0.68 -5.58 5.85 0.38 -2.46 115.31 114.18 3a73 h LEU 575 Ca 0.00 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3a73 h LEU 575 Cb 0.51 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.57 3a73 h LEU 575 CO 0.00 0.27 -0.33 0.58 -0.34 0.00 0.00 178.44 178.63 3a73 h VAL 576 N -0.46 0.24 -0.43 1.05 2.07 -0.81 -1.45 116.25 116.46 3a73 h VAL 576 Ca -0.01 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3a73 h VAL 576 Cb 0.39 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 3a73 h VAL 576 CO 0.02 0.02 -0.46 0.00 0.02 0.00 0.00 177.57 177.17 3a73 h ALA 577 N -0.86 -0.50 -0.86 1.67 0.00 -1.41 0.22 119.26 117.52 3a73 h ALA 577 Ca -0.09 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3a73 h ALA 577 Cb 0.73 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 3a73 h ALA 577 CO 0.15 -0.90 0.51 0.00 0.00 0.00 0.00 179.25 179.01 3a73 h ALA 578 N 0.34 1.24 -0.12 0.00 0.00 -1.47 -2.80 119.26 116.45 3a73 h ALA 578 Ca 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a73 h ALA 578 Cb 0.59 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a73 h ALA 578 CO -0.60 0.14 0.02 0.77 0.00 0.00 0.00 179.25 179.58 3a73 h SER 579 N 0.85 0.19 0.00 0.00 0.02 0.12 -2.74 113.55 111.99 3a73 h SER 579 Ca 0.41 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3a73 h SER 579 Cb 0.36 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3a73 h SER 579 CO -0.24 0.42 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 3a73 n GLN 580 N -4.82 0.00 0.00 3.45 6.02 0.60 -1.43 117.38 121.19 3a73 n GLN 580 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3a73 n GLN 580 Cb 0.18 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3a73 n GLN 580 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a73 n ALA 581 N -0.89 1.10 0.89 -1.58 0.00 -1.12 -3.23 120.51 115.68 3a73 n ALA 581 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3a73 n ALA 581 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 3a73 n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a73 n ALA 582 N -0.44 2.47 -0.84 0.00 0.00 -0.51 -3.33 120.51 117.86 3a73 n ALA 582 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3a73 n ALA 582 Cb 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.19 0.29 0.00 0.00 4.77 -0.96 -4.91 117.00 117.37 3a73 n LEU 583 Ca 0.16 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3a73 n LEU 583 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3a73 n LEU 583 CO 0.15 0.07 0.15 0.61 -1.33 0.00 0.00 177.39 177.04