#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or4 s HIS 56 N 0.00 3.47 0.06 2.13 3.76 -1.26 -4.76 115.29 118.70 2or4 s HIS 56 Ca 0.00 -3.09 0.00 0.00 -0.15 0.00 0.00 55.06 51.83 2or4 s HIS 56 Cb 0.00 -2.96 -0.00 0.00 1.11 0.00 0.00 32.58 30.73 2or4 s HIS 56 CO 0.00 -0.71 0.01 0.27 -0.85 0.00 0.00 174.74 173.46 2or4 n ASN 57 N 2.73 1.45 -0.25 1.40 0.23 -1.26 -5.01 115.26 114.55 2or4 n ASN 57 Ca 0.13 -1.32 -0.05 0.00 -0.53 0.00 0.00 54.58 52.81 2or4 n ASN 57 Cb 0.35 0.11 0.10 0.00 -2.08 0.00 0.00 39.78 38.26 2or4 n ASN 57 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 2or4 h MET 58 N 0.00 1.11 -0.68 -3.83 1.85 -1.99 -2.64 114.93 108.75 2or4 h MET 58 Ca -0.05 -0.21 0.04 0.00 -0.61 0.00 0.00 59.70 58.87 2or4 h MET 58 Cb 0.18 -0.18 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 2or4 h MET 58 CO 0.08 0.92 0.41 -0.22 -0.40 0.00 0.00 176.91 177.70 2or4 h LYS 59 N 1.08 0.76 -0.47 0.39 3.64 -1.97 0.16 116.57 120.15 2or4 h LYS 59 Ca 0.25 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2or4 h LYS 59 Cb 0.23 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2or4 h LYS 59 CO -0.02 0.50 0.25 0.00 -2.27 0.00 0.00 179.45 177.91 2or4 h ALA 60 N 1.32 0.60 0.16 5.00 0.00 -1.79 0.11 119.26 124.66 2or4 h ALA 60 Ca 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2or4 h ALA 60 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2or4 h ALA 60 CO -0.14 -0.10 -0.11 0.35 0.00 0.00 0.00 179.25 179.25 2or4 h PHE 61 N 0.49 -0.29 -0.78 0.00 3.57 -0.93 -2.89 116.94 116.10 2or4 h PHE 61 Ca 0.20 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2or4 h PHE 61 Cb 0.09 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2or4 h PHE 61 CO -0.09 -0.18 0.37 -0.07 -2.23 0.00 0.00 178.31 176.11 2or4 h LEU 62 N -0.28 1.03 -1.33 0.59 3.38 -0.42 -2.83 115.31 115.45 2or4 h LEU 62 Ca -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2or4 h LEU 62 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2or4 h LEU 62 CO 0.00 0.88 -0.26 0.44 0.09 0.00 0.00 178.44 179.59 2or4 h ASP 63 N 1.11 0.00 0.63 -0.43 3.32 -0.73 -2.13 116.42 118.19 2or4 h ASP 63 Ca 0.27 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 2or4 h ASP 63 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2or4 h ASP 63 CO -0.03 0.26 -0.32 -0.08 -1.72 0.00 0.00 179.24 177.34 2or4 h GLU 64 N 0.00 0.00 -6.67 3.56 4.57 -1.28 -3.44 114.58 111.31 2or4 h GLU 64 Ca -0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 2or4 h GLU 64 Cb 0.65 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.28 2or4 h GLU 64 CO 0.03 0.32 0.71 -0.51 -1.18 0.00 0.00 179.01 178.38 2or4 s LEU 65 N -7.38 4.40 -0.07 1.64 1.43 -0.80 -4.92 118.68 112.97 2or4 s LEU 65 Ca -0.01 2.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 2or4 s LEU 65 Cb 0.12 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.75 2or4 s LEU 65 CO 0.67 -0.61 -0.12 -0.54 0.23 0.00 0.00 176.35 175.98 2or4 s LYS 66 N 0.09 1.75 0.27 1.70 -0.14 -1.26 -5.02 119.74 117.12 2or4 s LYS 66 Ca 0.59 -0.42 -0.00 0.00 -1.36 0.00 0.00 55.97 54.78 2or4 s LYS 66 Cb -0.38 -1.47 0.57 0.00 -1.68 0.00 0.00 37.83 34.87 2or4 s LYS 66 CO 0.38 0.00 1.74 0.00 -0.76 0.00 0.00 175.35 176.71 2or4 h ALA 67 N 7.08 1.28 -0.86 5.17 0.00 -1.91 -1.96 119.26 128.05 2or4 h ALA 67 Ca -0.30 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2or4 h ALA 67 Cb 1.18 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2or4 h ALA 67 CO 0.47 -0.18 0.56 1.05 0.00 0.00 0.00 179.25 181.16 2or4 h GLU 68 N 0.53 0.96 -0.20 0.00 4.11 -1.91 -1.09 114.58 116.97 2or4 h GLU 68 Ca 0.48 -0.06 -0.19 0.00 0.07 0.00 0.00 59.36 59.67 2or4 h GLU 68 Cb 0.76 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2or4 h GLU 68 CO -0.41 0.63 -0.60 -0.91 0.07 0.00 0.00 179.01 177.79 2or4 h ASN 69 N 0.98 0.87 -0.57 3.06 2.35 -1.79 -1.90 115.58 118.58 2or4 h ASN 69 Ca 0.37 -0.59 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2or4 h ASN 69 Cb 0.18 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2or4 h ASN 69 CO -0.13 1.31 0.36 0.40 -1.65 0.00 0.00 177.43 177.72 2or4 h ILE 70 N 0.49 1.10 -0.39 2.81 2.04 -1.12 -0.89 117.51 121.55 2or4 h ILE 70 Ca -0.02 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2or4 h ILE 70 Cb 1.22 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2or4 h ILE 70 CO 0.13 0.13 0.25 0.50 0.00 0.00 0.00 178.15 179.16 2or4 h LYS 71 N 0.72 0.51 -0.61 2.37 3.64 -1.04 -0.71 116.57 121.45 2or4 h LYS 71 Ca 0.22 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2or4 h LYS 71 Cb -0.03 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2or4 h LYS 71 CO -0.07 0.34 0.26 0.87 -2.27 0.00 0.00 179.45 178.57 2or4 h LYS 72 N 0.52 0.91 -0.55 1.90 1.57 -1.06 -1.04 116.57 118.81 2or4 h LYS 72 Ca 0.14 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2or4 h LYS 72 Cb -0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2or4 h LYS 72 CO -0.03 0.76 -0.03 0.74 -0.57 0.00 0.00 179.45 180.33 2or4 h PHE 73 N 0.85 1.09 -0.08 -1.35 0.04 -0.92 -1.42 116.94 115.16 2or4 h PHE 73 Ca 0.21 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 60.79 2or4 h PHE 73 Cb 0.19 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2or4 h PHE 73 CO 0.01 0.99 -0.00 1.25 -0.60 0.00 0.00 178.31 179.96 2or4 h LEU 74 N 0.87 -0.04 -0.50 1.54 5.85 -0.90 0.12 115.31 122.25 2or4 h LEU 74 Ca 0.15 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2or4 h LEU 74 Cb 0.58 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 2or4 h LEU 74 CO 0.03 -0.01 0.10 0.22 -0.34 0.00 0.00 178.44 178.45 2or4 h TYR 75 N 0.02 0.16 -0.24 1.25 3.20 -1.08 -2.20 116.97 118.08 2or4 h TYR 75 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2or4 h TYR 75 Cb 0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2or4 h TYR 75 CO -0.12 -0.01 0.09 -0.97 -1.64 0.00 0.00 178.16 175.52 2or4 h ASN 76 N 0.24 0.29 0.05 -2.11 -0.73 -0.36 -2.83 115.58 110.13 2or4 h ASN 76 Ca 0.25 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2or4 h ASN 76 Cb 0.34 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.86 2or4 h ASN 76 CO -0.33 0.27 -0.07 0.49 -0.37 0.00 0.00 177.43 177.42 2or4 n PHE 77 N -4.44 0.00 -1.29 0.67 3.72 0.34 -4.35 117.46 112.11 2or4 n PHE 77 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2or4 n PHE 77 Cb 0.12 -0.03 0.07 0.00 -0.94 0.00 0.00 39.48 38.70 2or4 n PHE 77 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2or4 n THR 78 N 0.03 1.02 0.08 4.37 -2.24 -1.07 -4.74 114.28 111.74 2or4 n THR 78 Ca 0.17 -1.21 -0.02 0.00 -2.27 0.00 0.00 64.05 60.72 2or4 n THR 78 Cb 0.37 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 2or4 n THR 78 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2or4 h GLN 79 N 0.00 0.00 -4.57 -0.78 1.08 -1.76 -3.43 115.11 105.66 2or4 h GLN 79 Ca 0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 2or4 h GLN 79 Cb 1.09 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.36 2or4 h GLN 79 CO 0.00 0.62 -0.70 0.96 -0.95 0.00 0.00 178.83 178.77 2or4 s ILE 80 N -2.85 0.59 0.60 2.54 -4.36 -1.26 -5.10 121.20 111.37 2or4 s ILE 80 Ca 0.01 -1.81 -0.19 0.00 -0.26 0.00 0.00 60.65 58.40 2or4 s ILE 80 Cb 0.09 -1.52 -0.03 0.00 1.25 0.00 0.00 42.46 42.24 2or4 s ILE 80 CO 0.79 -0.84 1.20 -2.84 0.24 0.00 0.00 174.94 173.49 2or4 s PRO 81 N -3.58 2.96 -0.42 0.37 0.02 -1.26 -4.71 135.00 128.38 2or4 s PRO 81 Ca 0.08 1.79 0.09 0.00 0.02 0.00 0.00 61.00 62.99 2or4 s PRO 81 Cb 0.04 -1.93 0.41 0.00 0.02 0.00 0.00 34.50 33.04 2or4 s PRO 81 CO -0.05 -1.21 0.99 0.72 -0.33 0.00 0.00 177.00 177.13 2or4 n HIS 82 N -1.64 2.54 -1.82 6.54 8.25 -1.08 -4.63 115.22 123.37 2or4 n HIS 82 Ca 0.13 -3.27 -0.41 0.00 -0.26 0.00 0.00 57.72 53.91 2or4 n HIS 82 Cb 0.50 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2or4 n HIS 82 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2or4 s LEU 83 N -3.29 4.35 0.25 2.41 2.96 -1.21 -1.44 118.68 122.70 2or4 s LEU 83 Ca 0.41 2.93 -0.31 0.00 -0.22 0.00 0.00 54.13 56.95 2or4 s LEU 83 Cb 0.39 -3.64 -0.13 0.00 0.50 0.00 0.00 46.19 43.30 2or4 s LEU 83 CO -0.11 -0.87 1.36 0.00 -1.32 0.00 0.00 176.35 175.42 2or4 n ALA 84 N 1.74 0.93 -0.64 5.97 0.00 -1.26 -2.03 120.51 125.22 2or4 n ALA 84 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2or4 n ALA 84 Cb 0.38 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2or4 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2or4 n GLY 85 N 1.97 0.77 3.93 0.00 0.00 -1.26 -5.03 105.19 105.57 2or4 n GLY 85 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2or4 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2or4 s THR 86 N -2.83 4.78 0.31 2.61 -4.23 -0.86 -4.85 115.64 110.57 2or4 s THR 86 Ca 0.00 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2or4 s THR 86 Cb 0.00 -3.65 0.26 0.00 1.34 0.00 0.00 72.50 70.46 2or4 s THR 86 CO 0.00 -0.30 1.98 -0.08 -0.54 0.00 0.00 174.62 175.68 2or4 h GLU 87 N 1.20 1.01 -0.66 3.99 4.57 -1.97 -2.01 114.58 120.72 2or4 h GLU 87 Ca -0.50 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 2or4 h GLU 87 Cb 1.24 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2or4 h GLU 87 CO 0.59 0.67 0.38 1.96 -1.18 0.00 0.00 179.01 181.44 2or4 h GLN 88 N 1.04 0.89 0.00 1.92 4.20 -1.91 0.14 115.11 121.39 2or4 h GLN 88 Ca 0.29 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 2or4 h GLN 88 Cb -0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 2or4 h GLN 88 CO -0.07 0.63 -0.87 -0.97 -0.67 0.00 0.00 178.83 176.89 2or4 h ASN 89 N 0.90 0.19 -0.53 1.46 -1.24 -1.60 -1.87 115.58 112.89 2or4 h ASN 89 Ca 0.24 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 2or4 h ASN 89 Cb -0.02 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2or4 h ASN 89 CO -0.04 0.97 0.18 0.15 -1.29 0.00 0.00 177.43 177.39 2or4 h PHE 90 N 0.08 0.85 -0.73 0.67 3.57 -1.07 -0.69 116.94 119.62 2or4 h PHE 90 Ca -0.04 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 2or4 h PHE 90 Cb 1.50 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2or4 h PHE 90 CO 0.02 0.72 0.22 1.96 -2.23 0.00 0.00 178.31 179.00 2or4 h GLN 91 N 0.73 1.15 -0.65 1.11 1.08 -0.65 -0.97 115.11 116.91 2or4 h GLN 91 Ca 0.17 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 2or4 h GLN 91 Cb 0.26 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2or4 h GLN 91 CO -0.01 0.98 0.19 1.25 -0.95 0.00 0.00 178.83 180.29 2or4 h LEU 92 N 1.09 0.96 -0.59 1.46 5.85 -1.22 -1.29 115.31 121.58 2or4 h LEU 92 Ca 0.24 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2or4 h LEU 92 Cb 0.32 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2or4 h LEU 92 CO -0.01 0.93 0.13 0.00 -0.34 0.00 0.00 178.44 179.15 2or4 h ALA 93 N 1.07 0.70 -0.52 1.25 0.00 -0.31 -0.58 119.26 120.87 2or4 h ALA 93 Ca 0.21 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2or4 h ALA 93 Cb 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2or4 h ALA 93 CO -0.00 -0.30 0.03 0.87 0.00 0.00 0.00 179.25 179.85 2or4 h LYS 94 N 0.27 0.86 -0.20 0.00 1.57 -0.89 -0.16 116.57 118.02 2or4 h LYS 94 Ca 0.31 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2or4 h LYS 94 Cb 0.45 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2or4 h LYS 94 CO -0.39 0.84 0.11 0.37 -0.57 0.00 0.00 179.45 179.81 2or4 h GLN 95 N 0.81 0.28 -0.58 3.15 4.15 -0.60 -1.10 115.11 121.22 2or4 h GLN 95 Ca 0.16 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2or4 h GLN 95 Cb 0.43 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2or4 h GLN 95 CO 0.02 0.26 0.29 0.82 -1.93 0.00 0.00 178.83 178.28 2or4 h ILE 96 N 0.22 1.20 -0.36 2.39 2.04 -0.95 -0.09 117.51 121.96 2or4 h ILE 96 Ca 0.07 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.42 2or4 h ILE 96 Cb 0.06 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2or4 h ILE 96 CO -0.01 0.23 0.11 -0.61 0.00 0.00 0.00 178.15 177.87 2or4 h GLN 97 N 0.79 0.24 -0.51 2.37 4.15 -0.91 0.94 115.11 122.17 2or4 h GLN 97 Ca 0.20 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2or4 h GLN 97 Cb 0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2or4 h GLN 97 CO -0.03 0.16 0.28 0.77 -1.93 0.00 0.00 178.83 178.08 2or4 h SER 98 N 0.25 0.64 -0.35 -0.69 0.02 -0.81 -2.42 113.55 110.19 2or4 h SER 98 Ca 0.17 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2or4 h SER 98 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2or4 h SER 98 CO -0.19 0.55 -0.09 1.56 -1.14 0.00 0.00 176.83 177.53 2or4 h GLN 99 N 0.68 0.67 -0.52 3.45 4.20 -0.61 -1.08 115.11 121.90 2or4 h GLN 99 Ca 0.18 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2or4 h GLN 99 Cb 0.05 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2or4 h GLN 99 CO -0.03 0.84 0.34 -1.49 -0.67 0.00 0.00 178.83 177.82 2or4 h TRP 100 N 0.46 0.66 0.10 2.96 4.06 -0.73 0.26 115.95 123.72 2or4 h TRP 100 Ca 0.09 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 2or4 h TRP 100 Cb 0.59 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 2or4 h TRP 100 CO 0.05 0.42 -0.05 0.87 -3.56 0.00 0.00 178.44 176.18 2or4 h LYS 101 N 0.71 -0.12 -0.73 0.49 1.57 -1.24 -2.57 116.57 114.69 2or4 h LYS 101 Ca 0.19 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2or4 h LYS 101 Cb -0.07 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2or4 h LYS 101 CO -0.04 -0.03 0.48 1.49 -0.57 0.00 0.00 179.45 180.78 2or4 h GLU 102 N -0.19 0.92 0.00 3.15 4.81 -0.56 -1.63 114.58 121.08 2or4 h GLU 102 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2or4 h GLU 102 Cb 0.16 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2or4 h GLU 102 CO 0.02 0.61 0.00 0.74 -0.73 0.00 0.00 179.01 179.65 2or4 h PHE 103 N 0.95 0.00 0.00 0.92 0.04 -0.37 -3.46 116.94 115.02 2or4 h PHE 103 Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2or4 h PHE 103 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2or4 h PHE 103 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2or4 n GLY 104 N -0.13 0.78 3.75 -1.45 0.00 -0.61 -4.17 105.19 103.35 2or4 n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2or4 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2or4 s LEU 105 N 0.00 3.77 0.20 0.99 1.43 -0.98 -4.92 118.68 119.17 2or4 s LEU 105 Ca 0.00 2.68 -0.08 0.00 -1.03 0.00 0.00 54.13 55.70 2or4 s LEU 105 Cb 0.00 -4.39 0.13 0.00 0.03 0.00 0.00 46.19 41.96 2or4 s LEU 105 CO 0.00 -1.66 1.72 0.44 0.23 0.00 0.00 176.35 177.09 2or4 h ASP 106 N 1.20 1.08 -4.49 2.29 3.32 -1.57 -3.45 116.42 114.81 2or4 h ASP 106 Ca -0.51 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 56.16 2or4 h ASP 106 Cb 1.31 -0.28 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 2or4 h ASP 106 CO 0.56 1.03 -0.42 -0.55 -1.72 0.00 0.00 179.24 178.14 2or4 s SER 107 N -6.46 -0.14 -0.13 6.45 0.15 -1.19 -5.00 113.70 107.38 2or4 s SER 107 Ca -0.12 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 2or4 s SER 107 Cb 0.15 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.87 2or4 s SER 107 CO 0.85 -0.27 0.20 -0.69 1.20 0.00 0.00 173.24 174.53 2or4 s VAL 108 N -0.73 -0.30 0.16 4.45 1.01 -1.26 -0.99 120.40 122.73 2or4 s VAL 108 Ca -0.08 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2or4 s VAL 108 Cb -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2or4 s VAL 108 CO 0.02 0.03 -0.16 -1.61 0.00 0.00 0.00 175.10 173.37 2or4 s GLU 109 N 2.32 1.21 -0.11 2.72 0.41 -0.15 -4.95 118.70 120.14 2or4 s GLU 109 Ca 0.04 -1.38 -0.15 0.00 -0.41 0.00 0.00 54.97 53.06 2or4 s GLU 109 Cb -0.13 -1.17 -0.05 0.00 -1.78 0.00 0.00 34.13 31.00 2or4 s GLU 109 CO -0.08 0.23 0.37 -0.51 -0.49 0.00 0.00 175.26 174.78 2or4 s LEU 110 N -2.69 4.31 -0.26 1.80 1.43 -1.26 -0.68 118.68 121.33 2or4 s LEU 110 Ca 0.15 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2or4 s LEU 110 Cb -0.05 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2or4 s LEU 110 CO 0.05 0.12 0.02 0.00 0.23 0.00 0.00 176.35 176.77 2or4 s ALA 111 N 0.16 2.93 0.24 4.21 0.00 0.28 -4.95 121.76 124.62 2or4 s ALA 111 Ca 0.21 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 50.91 2or4 s ALA 111 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2or4 s ALA 111 CO 0.08 -0.73 0.01 -3.38 0.00 0.00 0.00 175.76 171.74 2or4 s HIS 112 N 1.47 2.77 0.05 0.00 -3.43 -1.26 -0.56 115.29 114.34 2or4 s HIS 112 Ca 0.03 -0.19 -0.09 0.00 -0.80 0.00 0.00 55.06 54.01 2or4 s HIS 112 Cb -0.16 -1.27 0.00 0.00 -1.43 0.00 0.00 32.58 29.72 2or4 s HIS 112 CO -0.00 0.58 0.19 0.71 -2.00 0.00 0.00 174.74 174.21 2or4 s TYR 113 N -2.11 0.09 -0.35 0.38 2.02 -0.78 -4.87 117.35 111.74 2or4 s TYR 113 Ca 0.30 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2or4 s TYR 113 Cb -0.07 -0.05 0.07 0.00 -0.40 0.00 0.00 41.96 41.51 2or4 s TYR 113 CO 0.20 -0.46 0.09 -0.51 -1.57 0.00 0.00 175.55 173.30 2or4 s ASP 114 N -2.31 5.12 0.21 2.29 1.01 -0.29 -0.56 116.67 122.14 2or4 s ASP 114 Ca -0.02 -1.48 0.08 0.00 0.71 0.00 0.00 52.55 51.84 2or4 s ASP 114 Cb 0.01 -1.79 -0.05 0.00 1.01 0.00 0.00 42.92 42.10 2or4 s ASP 114 CO -0.06 -0.37 -0.15 0.68 0.21 0.00 0.00 175.17 175.48 2or4 s VAL 115 N 1.26 1.84 -0.21 -1.27 -7.23 -0.39 -4.78 120.40 109.61 2or4 s VAL 115 Ca -0.00 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 57.67 2or4 s VAL 115 Cb -0.21 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2or4 s VAL 115 CO -0.01 -0.54 1.46 -0.22 -0.31 0.00 0.00 175.10 175.48 2or4 s LEU 116 N -3.27 4.00 0.54 1.32 2.96 -1.26 -0.51 118.68 122.45 2or4 s LEU 116 Ca 0.23 1.59 0.03 0.00 -0.22 0.00 0.00 54.13 55.76 2or4 s LEU 116 Cb -0.02 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2or4 s LEU 116 CO 0.08 -1.07 0.22 -0.76 -1.32 0.00 0.00 176.35 173.49 2or4 s LEU 117 N 4.50 2.45 -0.07 -0.68 1.43 -0.02 -4.82 118.68 121.47 2or4 s LEU 117 Ca 0.64 -1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2or4 s LEU 117 Cb -0.23 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.08 2or4 s LEU 117 CO 0.25 -1.03 0.16 -0.55 0.23 0.00 0.00 176.35 175.41 2or4 s SER 118 N -4.11 -0.14 -0.04 2.29 0.15 -1.26 -0.39 113.70 110.20 2or4 s SER 118 Ca 0.18 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 57.08 2or4 s SER 118 Cb -0.01 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2or4 s SER 118 CO 0.11 -0.11 0.18 -0.31 1.20 0.00 0.00 173.24 174.31 2or4 s TYR 119 N 0.71 -0.11 0.86 3.44 2.02 -0.69 -4.79 117.35 118.79 2or4 s TYR 119 Ca -0.05 0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.78 2or4 s TYR 119 Cb -0.07 0.02 0.12 0.00 -0.40 0.00 0.00 41.96 41.63 2or4 s TYR 119 CO -0.04 -0.19 1.15 -2.14 -1.57 0.00 0.00 175.55 172.76 2or4 s PRO 120 N -0.59 1.36 -0.35 -1.71 0.02 -1.26 -1.38 135.00 131.09 2or4 s PRO 120 Ca -0.07 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 62.22 2or4 s PRO 120 Cb -0.04 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.73 2or4 s PRO 120 CO 0.01 -2.38 1.01 1.21 -0.33 0.00 0.00 177.00 176.53 2or4 s ASN 121 N -2.65 6.80 0.57 2.53 3.84 -1.26 -4.79 114.94 119.98 2or4 s ASN 121 Ca 0.67 0.81 0.27 0.00 0.21 0.00 0.00 52.86 54.82 2or4 s ASN 121 Cb -0.23 -2.51 1.53 0.00 -0.55 0.00 0.00 41.25 39.49 2or4 s ASN 121 CO 0.56 -0.90 2.06 0.11 -2.79 0.00 0.00 177.10 176.14 2or4 h LYS 122 N 8.34 0.00 -0.43 0.43 1.57 -1.96 -2.49 116.57 122.03 2or4 h LYS 122 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2or4 h LYS 122 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2or4 h LYS 122 CO 1.02 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 180.15 2or4 n THR 123 N -4.02 1.02 -3.01 -0.16 -2.24 -1.26 -4.74 114.28 99.88 2or4 n THR 123 Ca 0.04 -1.01 -0.16 0.00 -2.27 0.00 0.00 64.05 60.65 2or4 n THR 123 Cb 0.41 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 2or4 n THR 123 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2or4 n HIS 124 N 0.75 -2.13 -2.20 4.78 -0.00 -0.94 -5.14 115.22 110.35 2or4 n HIS 124 Ca 0.15 -2.49 -0.36 0.00 -0.00 0.00 0.00 57.72 55.01 2or4 n HIS 124 Cb 0.48 0.74 0.01 0.00 -0.00 0.00 0.00 29.99 31.22 2or4 n HIS 124 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2or4 s PRO 125 N 0.08 3.34 0.26 1.57 0.02 -1.25 -4.46 135.00 134.57 2or4 s PRO 125 Ca 0.33 1.70 -0.26 0.00 0.02 0.00 0.00 61.00 62.78 2or4 s PRO 125 Cb 0.12 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 2or4 s PRO 125 CO -0.16 -0.88 0.90 -0.80 -0.33 0.00 0.00 177.00 175.73 2or4 s ASN 126 N -1.64 7.41 0.09 2.53 0.01 -1.26 -4.85 114.94 117.24 2or4 s ASN 126 Ca 0.72 1.80 -0.27 0.00 -0.71 0.00 0.00 52.86 54.41 2or4 s ASN 126 Cb -0.27 -2.56 0.08 0.00 0.41 0.00 0.00 41.25 38.91 2or4 s ASN 126 CO 0.30 0.05 0.93 -0.72 -1.51 0.00 0.00 177.10 176.16 2or4 s TYR 127 N -1.41 -0.22 0.06 2.20 -0.85 -0.77 -4.78 117.35 111.59 2or4 s TYR 127 Ca 0.45 -0.02 0.10 0.00 -0.52 0.00 0.00 57.07 57.07 2or4 s TYR 127 Cb -0.21 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 2or4 s TYR 127 CO 0.26 -0.71 -0.26 0.42 -1.52 0.00 0.00 175.55 173.74 2or4 s ILE 128 N -3.21 2.15 0.16 -3.49 1.01 -1.26 -0.70 121.20 115.85 2or4 s ILE 128 Ca 0.09 -1.45 0.10 0.00 0.00 0.00 0.00 60.65 59.39 2or4 s ILE 128 Cb -0.01 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2or4 s ILE 128 CO -0.02 0.32 -0.23 -0.44 0.00 0.00 0.00 174.94 174.56 2or4 s SER 129 N -1.38 3.07 -0.15 3.58 0.01 0.29 -0.12 113.70 118.99 2or4 s SER 129 Ca 0.12 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 56.43 2or4 s SER 129 Cb -0.10 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 2or4 s SER 129 CO 0.03 0.08 0.31 -0.63 0.41 0.00 0.00 173.24 173.44 2or4 s ILE 130 N -1.54 5.29 -0.10 1.44 1.01 -0.41 -0.77 121.20 126.12 2or4 s ILE 130 Ca 0.16 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.43 2or4 s ILE 130 Cb -0.08 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2or4 s ILE 130 CO 0.07 0.38 -0.20 -0.51 0.00 0.00 0.00 174.94 174.69 2or4 s ILE 131 N 0.46 2.42 0.81 2.92 2.07 -0.11 -0.46 121.20 129.30 2or4 s ILE 131 Ca 0.18 -0.90 -0.11 0.00 -1.41 0.00 0.00 60.65 58.41 2or4 s ILE 131 Cb -0.13 -1.95 0.10 0.00 0.13 0.00 0.00 42.46 40.61 2or4 s ILE 131 CO 0.05 0.55 1.16 0.54 -1.91 0.00 0.00 174.94 175.32 2or4 s ASN 132 N 0.26 4.28 0.59 4.50 2.20 0.55 -1.18 114.94 126.15 2or4 s ASN 132 Ca -0.14 0.53 0.29 0.00 -0.94 0.00 0.00 52.86 52.60 2or4 s ASN 132 Cb -0.17 -0.96 1.45 0.00 -2.00 0.00 0.00 41.25 39.57 2or4 s ASN 132 CO 0.07 -2.00 1.86 -0.08 -2.94 0.00 0.00 177.10 174.01 2or4 h GLU 133 N -1.04 0.00 -0.01 3.55 4.81 -1.90 0.43 114.58 120.43 2or4 h GLU 133 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2or4 h GLU 133 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2or4 h GLU 133 CO 0.57 0.00 -0.19 -0.25 -0.73 0.00 0.00 179.01 178.41 2or4 n ASP 134 N -3.67 1.01 0.00 1.04 8.00 -1.26 -4.92 116.55 116.76 2or4 n ASP 134 Ca 0.09 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2or4 n ASP 134 Cb 0.72 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 2or4 n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2or4 n GLY 135 N 1.30 0.69 3.74 0.44 0.00 0.14 -5.06 105.19 106.44 2or4 n GLY 135 Ca 0.14 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2or4 n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2or4 s ASN 136 N -2.26 7.23 -0.59 1.61 0.01 -1.25 -4.85 114.94 114.85 2or4 s ASN 136 Ca 0.00 1.48 -0.22 0.00 -0.71 0.00 0.00 52.86 53.40 2or4 s ASN 136 Cb 0.00 -2.48 0.06 0.00 0.41 0.00 0.00 41.25 39.24 2or4 s ASN 136 CO 0.00 -0.03 0.89 -1.61 -1.51 0.00 0.00 177.10 174.84 2or4 s GLU 137 N 0.13 3.19 0.13 -0.60 2.02 -1.26 -0.33 118.70 121.97 2or4 s GLU 137 Ca 0.40 -0.66 0.24 0.00 0.02 0.00 0.00 54.97 54.97 2or4 s GLU 137 Cb -0.21 -4.15 0.27 0.00 0.10 0.00 0.00 34.13 30.15 2or4 s GLU 137 CO 0.24 -1.58 1.26 -0.84 0.02 0.00 0.00 175.26 174.35 2or4 h ILE 138 N 5.97 0.00 -3.24 -1.63 3.07 -1.14 -3.45 117.51 117.09 2or4 h ILE 138 Ca -0.28 -0.56 -0.19 0.00 1.55 0.00 0.00 64.86 65.39 2or4 h ILE 138 Cb 1.08 1.10 -0.27 0.00 -0.27 0.00 0.00 36.82 38.45 2or4 h ILE 138 CO 1.11 0.00 -0.51 0.12 -1.05 0.00 0.00 178.15 177.82 2or4 s PHE 139 N -3.20 -0.22 -0.04 0.16 5.36 -1.12 -4.96 117.98 113.97 2or4 s PHE 139 Ca 0.05 0.54 0.05 0.00 -0.96 0.00 0.00 56.93 56.61 2or4 s PHE 139 Cb 0.13 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.85 2or4 s PHE 139 CO 0.74 -0.12 -0.18 -0.80 -1.46 0.00 0.00 175.22 173.39 2or4 s ASN 140 N 0.35 2.24 0.82 6.13 0.01 -1.26 -1.29 114.94 121.94 2or4 s ASN 140 Ca -0.02 -0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 51.66 2or4 s ASN 140 Cb -0.03 -0.51 0.08 0.00 0.41 0.00 0.00 41.25 41.20 2or4 s ASN 140 CO -0.01 0.18 1.09 0.42 -1.51 0.00 0.00 177.10 177.27 2or4 s THR 141 N -0.12 3.08 0.51 1.60 -4.23 0.82 -4.99 115.64 112.32 2or4 s THR 141 Ca -0.00 0.35 -0.23 0.00 -1.18 0.00 0.00 61.69 60.63 2or4 s THR 141 Cb -0.10 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.71 2or4 s THR 141 CO 0.01 -0.46 1.34 -0.24 -0.54 0.00 0.00 174.62 174.74 2or4 n SER 142 N -3.57 2.71 -0.02 3.99 2.88 -1.26 -4.66 113.62 113.69 2or4 n SER 142 Ca 0.07 1.01 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 2or4 n SER 142 Cb 0.55 -1.56 0.27 0.00 -0.75 0.00 0.00 64.21 62.72 2or4 n SER 142 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2or4 n LEU 143 N -0.67 0.53 -3.50 2.46 4.77 -1.26 -4.88 117.00 114.44 2or4 n LEU 143 Ca 0.09 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 2or4 n LEU 143 Cb 0.43 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2or4 n LEU 143 CO 0.55 0.13 0.67 0.72 -1.33 0.00 0.00 177.39 178.13 2or4 s PHE 144 N -2.96 -0.35 0.12 -1.77 -0.12 -1.26 -4.74 117.98 106.91 2or4 s PHE 144 Ca 0.12 0.21 -0.27 0.00 -0.05 0.00 0.00 56.93 56.94 2or4 s PHE 144 Cb 0.18 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 43.04 2or4 s PHE 144 CO 0.68 -0.56 0.84 -1.21 -0.05 0.00 0.00 175.22 174.92 2or4 s GLU 145 N -3.15 4.62 -0.16 1.99 2.02 -1.26 -4.99 118.70 117.77 2or4 s GLU 145 Ca 0.05 1.25 -0.35 0.00 0.02 0.00 0.00 54.97 55.93 2or4 s GLU 145 Cb -0.01 -3.33 -0.12 0.00 0.10 0.00 0.00 34.13 30.77 2or4 s GLU 145 CO -0.09 0.38 1.90 -2.30 0.02 0.00 0.00 175.26 175.17 2or4 n PRO 146 N 2.27 1.88 -2.01 0.39 -0.02 -1.26 -4.90 135.00 131.35 2or4 n PRO 146 Ca -0.02 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 2or4 n PRO 146 Cb 0.49 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2or4 n PRO 146 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2or4 s PRO 147 N 4.29 3.01 0.79 0.52 0.04 -1.26 -4.99 135.00 137.40 2or4 s PRO 147 Ca 0.96 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 2or4 s PRO 147 Cb -0.76 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 31.89 2or4 s PRO 147 CO 0.54 -1.14 1.09 -1.25 0.04 0.00 0.00 177.00 176.28 2or4 s PRO 148 N -3.48 2.11 -0.00 0.56 0.04 -1.26 -4.90 135.00 128.07 2or4 s PRO 148 Ca 0.74 1.02 -0.37 0.00 0.04 0.00 0.00 61.00 62.43 2or4 s PRO 148 Cb -0.26 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.23 2or4 s PRO 148 CO 0.33 -1.71 1.50 -2.30 0.04 0.00 0.00 177.00 174.87 2or4 n PRO 149 N -3.55 1.35 -0.30 0.56 -0.02 -1.26 -1.63 135.00 130.15 2or4 n PRO 149 Ca 0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2or4 n PRO 149 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2or4 n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2or4 n GLY 150 N 3.16 1.30 3.89 -1.23 0.00 -1.26 -5.18 105.19 105.87 2or4 n GLY 150 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2or4 n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2or4 s TYR 151 N -2.90 2.10 0.00 1.61 2.02 -0.65 -5.26 117.35 114.28 2or4 s TYR 151 Ca 0.00 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 2or4 s TYR 151 Cb 0.00 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2or4 s TYR 151 CO 0.00 -0.36 0.00 -0.25 -1.57 0.00 0.00 175.55 173.37 2or4 n ASP 156 N -1.69 -0.11 -4.62 2.29 8.00 -1.26 -5.00 116.55 114.16 2or4 n ASP 156 Ca 0.02 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 2or4 n ASP 156 Cb 0.63 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 2or4 n ASP 156 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2or4 s ILE 157 N -0.46 4.53 0.11 0.53 1.01 -1.26 -4.81 121.20 120.85 2or4 s ILE 157 Ca 0.00 1.47 -0.31 0.00 0.00 0.00 0.00 60.65 61.81 2or4 s ILE 157 Cb 0.00 -4.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 2or4 s ILE 157 CO 0.00 -0.52 1.43 0.54 0.00 0.00 0.00 174.94 176.39 2or4 s VAL 158 N 3.60 3.24 0.85 2.92 0.11 -1.26 -4.97 120.40 124.88 2or4 s VAL 158 Ca 0.42 0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 60.23 2or4 s VAL 158 Cb -0.12 -3.55 0.11 0.00 -1.53 0.00 0.00 36.38 31.28 2or4 s VAL 158 CO 0.17 0.06 1.10 -2.16 -3.33 0.00 0.00 175.10 170.94 2or4 s PRO 159 N 1.30 1.57 0.14 1.54 0.04 -1.26 -4.91 135.00 133.42 2or4 s PRO 159 Ca 0.66 1.16 -0.35 0.00 0.04 0.00 0.00 61.00 62.51 2or4 s PRO 159 Cb -0.37 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 2or4 s PRO 159 CO 0.30 -2.12 1.47 -2.30 0.04 0.00 0.00 177.00 174.39 2or4 n PRO 160 N -3.84 1.76 -3.87 0.56 -0.02 -1.26 -4.97 135.00 123.36 2or4 n PRO 160 Ca 0.09 0.63 -0.07 0.00 -2.02 0.00 0.00 63.50 62.13 2or4 n PRO 160 Cb 0.53 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2or4 n PRO 160 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2or4 s PHE 161 N 0.64 -0.09 -0.36 6.00 -0.12 -1.26 -4.88 117.98 117.91 2or4 s PHE 161 Ca 0.80 -0.38 -0.08 0.00 -0.05 0.00 0.00 56.93 57.21 2or4 s PHE 161 Cb -0.78 0.67 0.04 0.00 -0.63 0.00 0.00 43.02 42.32 2or4 s PHE 161 CO 0.42 -1.25 0.15 -1.12 -0.05 0.00 0.00 175.22 173.37 2or4 s SER 162 N -2.95 5.49 0.25 1.98 0.01 -1.26 -3.61 113.70 113.62 2or4 s SER 162 Ca 0.13 -1.10 -0.30 0.00 1.31 0.00 0.00 55.95 55.98 2or4 s SER 162 Cb -0.05 -1.93 -0.11 0.00 0.21 0.00 0.00 66.02 64.13 2or4 s SER 162 CO 0.08 -0.36 1.58 0.00 0.41 0.00 0.00 173.24 174.95 2or4 s ALA 163 N 1.46 3.76 0.00 1.44 0.00 -1.06 -2.15 121.76 125.21 2or4 s ALA 163 Ca -0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2or4 s ALA 163 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2or4 s ALA 163 CO 0.04 -0.90 0.00 1.19 0.00 0.00 0.00 175.76 176.09 2or4 n PHE 164 N 2.71 0.00 -1.67 0.00 3.72 -1.26 -2.65 117.46 118.31 2or4 n PHE 164 Ca 0.10 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.06 2or4 n PHE 164 Cb 0.38 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 2or4 n PHE 164 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2or4 n SER 165 N 0.00 2.47 -4.78 4.37 2.88 -0.91 -4.41 113.62 113.24 2or4 n SER 165 Ca 0.00 1.18 -0.30 0.00 -1.33 0.00 0.00 58.87 58.43 2or4 n SER 165 Cb 0.00 -1.43 0.12 0.00 -0.75 0.00 0.00 64.21 62.15 2or4 n SER 165 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2or4 s PRO 166 N -1.32 1.59 0.46 -1.46 0.04 -1.26 -4.79 135.00 128.26 2or4 s PRO 166 Ca 0.60 0.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 2or4 s PRO 166 Cb -0.62 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 2or4 s PRO 166 CO 0.58 -1.95 0.97 -0.65 0.04 0.00 0.00 177.00 175.99 2or4 s GLN 167 N -5.13 4.10 0.00 4.56 -0.21 -1.26 -4.44 119.66 117.28 2or4 s GLN 167 Ca 0.62 1.10 0.00 0.00 0.02 0.00 0.00 55.36 57.10 2or4 s GLN 167 Cb -0.15 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.70 2or4 s GLN 167 CO 0.55 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2or4 n GLY 168 N -0.86 1.31 2.54 3.09 0.00 -0.17 -4.84 105.19 106.25 2or4 n GLY 168 Ca 0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2or4 n GLY 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2or4 n MET 169 N -0.41 1.90 -1.77 1.61 2.81 -1.26 -1.19 117.12 118.82 2or4 n MET 169 Ca 0.00 -3.79 -0.41 0.00 -1.81 0.00 0.00 57.70 51.68 2or4 n MET 169 Cb 0.00 -1.73 -0.00 0.00 -0.71 0.00 0.00 33.22 30.78 2or4 n MET 169 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2or4 n PRO 170 N -0.09 2.69 -4.74 0.03 -0.04 -1.25 -4.67 135.00 126.93 2or4 n PRO 170 Ca 0.23 0.95 -0.25 0.00 -0.04 0.00 0.00 63.50 64.39 2or4 n PRO 170 Cb 0.68 -2.70 -0.15 0.00 -0.04 0.00 0.00 33.50 31.30 2or4 n PRO 170 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2or4 s GLU 171 N -1.69 1.41 0.00 0.54 -1.05 -1.26 -1.49 118.70 115.16 2or4 s GLU 171 Ca 0.56 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2or4 s GLU 171 Cb -0.48 -1.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 2or4 s GLU 171 CO 0.60 0.38 0.00 0.41 0.95 0.00 0.00 175.26 177.60 2or4 n GLY 172 N 2.24 -1.15 3.83 -3.83 0.00 0.08 -4.95 105.19 101.41 2or4 n GLY 172 Ca -0.16 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 2or4 n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2or4 s ASP 173 N -4.00 6.95 0.23 1.61 1.01 -1.26 -0.83 116.67 120.38 2or4 s ASP 173 Ca 0.00 1.25 -0.20 0.00 0.71 0.00 0.00 52.55 54.31 2or4 s ASP 173 Cb 0.00 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 2or4 s ASP 173 CO 0.00 0.09 0.73 -0.76 0.21 0.00 0.00 175.17 175.44 2or4 s LEU 174 N -1.89 4.34 -0.07 1.23 1.43 -1.26 -1.16 118.68 121.30 2or4 s LEU 174 Ca 0.39 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2or4 s LEU 174 Cb -0.16 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.46 2or4 s LEU 174 CO 0.20 0.03 -0.16 -0.69 0.23 0.00 0.00 176.35 175.96 2or4 s VAL 175 N -1.53 1.39 -0.17 -1.59 1.01 -0.04 -0.09 120.40 119.38 2or4 s VAL 175 Ca 0.43 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2or4 s VAL 175 Cb -0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2or4 s VAL 175 CO 0.21 0.41 0.47 -0.47 0.00 0.00 0.00 175.10 175.72 2or4 s TYR 176 N 0.47 3.42 -0.16 5.22 5.04 -0.46 -0.62 117.35 130.26 2or4 s TYR 176 Ca -0.14 0.77 0.16 0.00 -2.44 0.00 0.00 57.07 55.43 2or4 s TYR 176 Cb -0.15 -2.59 0.34 0.00 0.35 0.00 0.00 41.96 39.91 2or4 s TYR 176 CO 0.05 0.02 1.19 1.33 -1.34 0.00 0.00 175.55 176.80 2or4 n VAL 177 N 4.16 2.01 0.00 3.14 0.24 -0.55 -4.71 118.33 122.62 2or4 n VAL 177 Ca -0.07 -2.56 0.00 0.00 -2.04 0.00 0.00 64.34 59.68 2or4 n VAL 177 Cb 0.51 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 2or4 n VAL 177 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2or4 n ASN 178 N -1.31 0.00 -0.59 -1.34 5.15 -1.26 -0.94 115.26 114.97 2or4 n ASN 178 Ca 0.17 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.25 2or4 n ASN 178 Cb 0.67 0.00 0.33 0.00 -0.53 0.00 0.00 39.78 40.25 2or4 n ASN 178 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2or4 n TYR 179 N 14.00 0.27 -2.11 1.20 4.01 -1.26 -0.93 117.16 132.34 2or4 n TYR 179 Ca 0.00 -0.13 -0.19 0.00 -0.16 0.00 0.00 57.90 57.42 2or4 n TYR 179 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2or4 n TYR 179 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2or4 n ALA 180 N 0.39 -0.47 -1.50 -0.72 0.00 -0.12 -4.81 120.51 113.28 2or4 n ALA 180 Ca 0.15 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 2or4 n ALA 180 Cb 0.33 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 17.85 2or4 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2or4 s ARG 181 N -4.53 2.50 0.22 0.00 0.52 -1.26 -4.39 118.95 112.01 2or4 s ARG 181 Ca 0.00 0.89 -0.09 0.00 -0.52 0.00 0.00 55.73 56.01 2or4 s ARG 181 Cb 0.00 -1.95 0.35 0.00 0.52 0.00 0.00 34.95 33.87 2or4 s ARG 181 CO 0.00 -1.39 1.68 1.15 0.02 0.00 0.00 175.30 176.76 2or4 h THR 182 N -0.93 0.54 -0.03 0.02 2.02 -1.93 -1.12 112.91 111.47 2or4 h THR 182 Ca -0.45 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 2or4 h THR 182 Cb 1.23 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2or4 h THR 182 CO 0.57 0.04 -0.46 1.05 0.37 0.00 0.00 175.52 177.08 2or4 h GLU 183 N 0.21 0.08 -0.53 6.66 9.09 -1.99 -0.40 114.58 127.70 2or4 h GLU 183 Ca 0.35 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.65 2or4 h GLU 183 Cb 0.57 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 2or4 h GLU 183 CO -0.49 0.53 0.06 -0.44 0.05 0.00 0.00 179.01 178.72 2or4 h ASP 184 N 0.06 0.86 0.25 3.06 3.32 -1.63 -0.65 116.42 121.71 2or4 h ASP 184 Ca 0.00 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.64 2or4 h ASP 184 Cb 0.84 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2or4 h ASP 184 CO 0.06 0.92 -0.51 -0.26 -1.72 0.00 0.00 179.24 177.74 2or4 h PHE 185 N 0.77 0.36 -0.08 4.55 -1.00 -0.86 -1.93 116.94 118.76 2or4 h PHE 185 Ca 0.16 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.83 2or4 h PHE 185 Cb 0.45 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2or4 h PHE 185 CO 0.03 0.75 0.00 0.74 -1.61 0.00 0.00 178.31 178.22 2or4 h PHE 186 N 0.23 0.00 -0.28 -0.55 0.04 -0.85 -1.56 116.94 113.97 2or4 h PHE 186 Ca 0.01 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.83 2or4 h PHE 186 Cb 0.98 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.10 2or4 h PHE 186 CO 0.02 -0.01 0.01 -0.22 -0.60 0.00 0.00 178.31 177.51 2or4 h LYS 187 N 0.03 0.09 0.24 1.51 1.63 -0.98 0.13 116.57 119.23 2or4 h LYS 187 Ca 0.04 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2or4 h LYS 187 Cb 0.04 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2or4 h LYS 187 CO -0.06 0.06 -0.22 -0.07 -3.45 0.00 0.00 179.45 175.71 2or4 h LEU 188 N 0.09 -0.59 0.21 5.20 3.38 -1.29 -0.56 115.31 121.76 2or4 h LEU 188 Ca 0.14 0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.81 2or4 h LEU 188 Cb 0.17 0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.14 2or4 h LEU 188 CO -0.22 -0.33 -1.67 -0.33 0.09 0.00 0.00 178.44 175.98 2or4 h GLU 189 N -0.49 0.45 0.12 1.13 5.08 -1.17 0.14 114.58 119.84 2or4 h GLU 189 Ca -0.01 -0.77 -0.35 0.00 -1.00 0.00 0.00 59.36 57.23 2or4 h GLU 189 Cb 0.45 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2or4 h GLU 189 CO -0.04 1.37 -1.91 0.00 -1.00 0.00 0.00 179.01 177.43 2or4 h ARG 190 N 0.12 0.26 0.01 2.33 3.08 -0.85 -3.23 114.38 116.10 2or4 h ARG 190 Ca -0.32 -0.45 -0.40 0.00 0.07 0.00 0.00 59.98 58.89 2or4 h ARG 190 Cb 2.13 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 32.28 2or4 h ARG 190 CO 0.21 1.16 -2.26 -0.25 -1.07 0.00 0.00 179.97 177.77 2or4 n ASP 191 N -3.46 1.96 0.00 7.04 8.00 -0.87 -4.51 116.55 124.72 2or4 n ASP 191 Ca -0.29 0.22 0.12 0.00 0.71 0.00 0.00 54.79 55.55 2or4 n ASP 191 Cb 1.05 -0.74 0.18 0.00 -0.02 0.00 0.00 41.12 41.59 2or4 n ASP 191 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2or4 n MET 192 N -3.95 0.01 -3.14 -1.24 2.81 -0.27 -4.95 117.12 106.40 2or4 n MET 192 Ca -0.46 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.20 2or4 n MET 192 Cb 0.90 -1.51 0.02 0.00 -0.71 0.00 0.00 33.22 31.92 2or4 n MET 192 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2or4 n LYS 193 N -1.52 -4.13 -3.44 0.03 4.01 -0.24 -4.95 118.16 107.91 2or4 n LYS 193 Ca 0.05 0.71 -0.37 0.00 -0.51 0.00 0.00 58.31 58.20 2or4 n LYS 193 Cb 0.34 -5.50 -0.07 0.00 -0.51 0.00 0.00 35.03 29.29 2or4 n LYS 193 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2or4 s ILE 194 N -3.05 5.26 -0.26 -0.18 1.01 0.33 -4.97 121.20 119.33 2or4 s ILE 194 Ca 0.33 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.59 2or4 s ILE 194 Cb -0.16 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2or4 s ILE 194 CO 0.41 0.36 0.16 0.21 0.00 0.00 0.00 174.94 176.08 2or4 s ASN 195 N 0.55 5.92 0.00 3.58 3.84 -1.26 -3.93 114.94 123.64 2or4 s ASN 195 Ca 0.20 0.00 0.28 0.00 0.21 0.00 0.00 52.86 53.55 2or4 s ASN 195 Cb -0.14 -2.09 1.01 0.00 -0.55 0.00 0.00 41.25 39.48 2or4 s ASN 195 CO 0.06 -0.01 1.73 0.00 -2.79 0.00 0.00 177.10 176.10 2or4 n SER 197 N -1.05 2.97 0.00 0.00 2.88 -1.19 -0.73 113.62 116.50 2or4 n SER 197 Ca 0.12 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2or4 n SER 197 Cb 0.31 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2or4 n SER 197 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2or4 n GLY 198 N 3.56 0.19 3.92 0.46 0.00 0.10 -4.92 105.19 108.50 2or4 n GLY 198 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2or4 n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2or4 s LYS 199 N -1.25 3.53 -0.20 1.61 -0.14 0.09 -4.65 119.74 118.72 2or4 s LYS 199 Ca 0.00 -0.08 -0.19 0.00 -1.36 0.00 0.00 55.97 54.34 2or4 s LYS 199 Cb 0.00 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2or4 s LYS 199 CO 0.00 0.03 0.54 0.42 -0.76 0.00 0.00 175.35 175.58 2or4 s ILE 200 N -2.44 5.09 0.02 2.17 1.01 -0.31 -0.21 121.20 126.52 2or4 s ILE 200 Ca 0.43 0.99 -0.11 0.00 0.00 0.00 0.00 60.65 61.97 2or4 s ILE 200 Cb -0.10 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2or4 s ILE 200 CO 0.38 0.16 0.35 -0.69 0.00 0.00 0.00 174.94 175.14 2or4 s VAL 201 N 1.74 5.15 -0.08 2.92 1.01 -0.65 -0.86 120.40 129.63 2or4 s VAL 201 Ca 0.25 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.80 2or4 s VAL 201 Cb -0.15 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2or4 s VAL 201 CO 0.10 0.44 -0.24 -0.51 0.00 0.00 0.00 175.10 174.89 2or4 s ILE 202 N -1.23 2.00 0.01 2.22 2.07 0.21 -0.85 121.20 125.62 2or4 s ILE 202 Ca 0.27 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 2or4 s ILE 202 Cb -0.15 -1.71 -0.01 0.00 0.13 0.00 0.00 42.46 40.72 2or4 s ILE 202 CO 0.14 0.55 -0.04 0.00 -1.91 0.00 0.00 174.94 173.69 2or4 s ALA 203 N 0.13 0.28 0.26 1.50 0.00 -0.49 -1.49 121.76 121.95 2or4 s ALA 203 Ca -0.12 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 2or4 s ALA 203 Cb -0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 2or4 s ALA 203 CO 0.06 0.01 0.83 -0.98 0.00 0.00 0.00 175.76 175.68 2or4 s ARG 204 N -0.52 4.43 0.77 0.00 1.70 -0.11 -1.75 118.95 123.46 2or4 s ARG 204 Ca -0.03 1.10 -0.13 0.00 -0.47 0.00 0.00 55.73 56.20 2or4 s ARG 204 Cb -0.04 -2.88 0.06 0.00 -0.57 0.00 0.00 34.95 31.53 2or4 s ARG 204 CO -0.00 0.36 1.15 0.71 -1.08 0.00 0.00 175.30 176.44 2or4 s TYR 205 N -1.53 2.16 0.00 5.89 4.12 0.11 -4.43 117.35 123.67 2or4 s TYR 205 Ca 0.46 1.63 0.00 0.00 0.02 0.00 0.00 57.07 59.18 2or4 s TYR 205 Cb -0.18 -3.29 0.00 0.00 -1.52 0.00 0.00 41.96 36.97 2or4 s TYR 205 CO 0.23 -2.31 0.00 0.41 0.02 0.00 0.00 175.55 173.89 2or4 n GLY 206 N -0.17 3.31 4.67 0.71 0.00 -1.26 -4.73 105.19 107.71 2or4 n GLY 206 Ca 0.11 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2or4 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2or4 n LYS 207 N -1.28 0.00 -4.16 1.61 4.76 -1.26 -4.82 118.16 113.01 2or4 n LYS 207 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2or4 n LYS 207 Cb 0.00 -0.16 -0.10 0.00 -1.84 0.00 0.00 35.03 32.93 2or4 n LYS 207 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2or4 s VAL 208 N 0.00 0.64 0.25 -0.18 -7.23 -1.26 -4.65 120.40 107.97 2or4 s VAL 208 Ca 0.00 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 57.96 2or4 s VAL 208 Cb 0.00 -1.64 -0.14 0.00 0.56 0.00 0.00 36.38 35.17 2or4 s VAL 208 CO 0.00 -0.87 1.33 0.33 -0.31 0.00 0.00 175.10 175.58 2or4 n PHE 209 N 0.01 2.01 0.14 2.82 7.35 -1.26 -4.88 117.46 123.65 2or4 n PHE 209 Ca -0.13 0.50 0.12 0.00 -0.76 0.00 0.00 57.45 57.18 2or4 n PHE 209 Cb 0.61 -2.42 0.63 0.00 0.35 0.00 0.00 39.48 38.65 2or4 n PHE 209 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2or4 h ARG 210 N 3.71 0.06 -0.18 -4.13 0.11 -1.94 -0.85 114.38 111.16 2or4 h ARG 210 Ca -0.45 -0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.54 2or4 h ARG 210 Cb 1.29 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 2or4 h ARG 210 CO 0.72 0.04 -0.30 0.78 0.10 0.00 0.00 179.97 181.31 2or4 h GLY 211 N 0.07 0.37 1.09 0.08 0.00 -1.77 -2.12 103.07 100.78 2or4 h GLY 211 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2or4 h GLY 211 CO -0.01 0.28 0.51 3.43 0.00 0.00 0.00 176.54 180.76 2or4 h ASN 212 N 0.30 1.07 -0.43 0.19 4.21 -1.48 -1.27 115.58 118.18 2or4 h ASN 212 Ca 0.04 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.48 2or4 h ASN 212 Cb 0.69 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 2or4 h ASN 212 CO 0.05 0.83 0.28 0.11 -1.29 0.00 0.00 177.43 177.42 2or4 h LYS 213 N 1.22 0.56 -0.31 0.81 1.57 -1.30 0.05 116.57 119.17 2or4 h LYS 213 Ca 0.31 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2or4 h LYS 213 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2or4 h LYS 213 CO -0.06 0.37 -0.08 0.28 -0.57 0.00 0.00 179.45 179.40 2or4 h VAL 214 N 0.58 1.28 -0.56 0.50 2.07 -1.26 0.54 116.25 119.40 2or4 h VAL 214 Ca 0.16 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.58 2or4 h VAL 214 Cb -0.07 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2or4 h VAL 214 CO -0.03 0.36 0.34 0.50 0.02 0.00 0.00 177.57 178.75 2or4 h LYS 215 N 0.37 0.64 -0.59 1.57 3.64 -1.09 0.99 116.57 122.11 2or4 h LYS 215 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2or4 h LYS 215 Cb 0.57 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2or4 h LYS 215 CO 0.03 0.42 0.34 -0.91 -2.27 0.00 0.00 179.45 177.06 2or4 h ASN 216 N 0.66 0.72 -0.58 4.20 2.35 -0.69 -1.62 115.58 120.62 2or4 h ASN 216 Ca 0.23 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2or4 h ASN 216 Cb 0.04 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2or4 h ASN 216 CO -0.11 0.59 0.28 0.00 -1.65 0.00 0.00 177.43 176.54 2or4 h ALA 217 N 1.16 0.75 -0.57 -0.83 0.00 -0.39 -2.01 119.26 117.37 2or4 h ALA 217 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2or4 h ALA 217 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2or4 h ALA 217 CO -0.04 0.31 0.34 0.37 0.00 0.00 0.00 179.25 180.24 2or4 h GLN 218 N 0.79 0.77 0.00 0.00 4.15 -0.44 -2.16 115.11 118.22 2or4 h GLN 218 Ca 0.20 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 2or4 h GLN 218 Cb 0.12 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2or4 h GLN 218 CO -0.02 0.55 -0.25 -0.07 -1.93 0.00 0.00 178.83 177.11 2or4 h LEU 219 N 0.76 0.00 0.00 -2.39 3.38 -1.15 -1.75 115.31 114.16 2or4 h LEU 219 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2or4 h LEU 219 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2or4 h LEU 219 CO -0.04 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.74 2or4 n ALA 220 N -2.21 2.35 -0.56 1.53 0.00 -0.77 -4.93 120.51 115.91 2or4 n ALA 220 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2or4 n ALA 220 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2or4 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2or4 n GLY 221 N 0.83 0.72 3.64 0.00 0.00 -0.66 -3.15 105.19 106.58 2or4 n GLY 221 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2or4 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2or4 n ALA 222 N -0.31 0.38 0.40 4.61 0.00 -0.84 -0.72 120.51 124.03 2or4 n ALA 222 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2or4 n ALA 222 Cb 0.00 -2.17 0.15 0.00 0.00 0.00 0.00 19.45 17.43 2or4 n ALA 222 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2or4 n LYS 223 N -1.38 2.07 -3.59 0.00 2.85 0.71 -4.75 118.16 114.08 2or4 n LYS 223 Ca 0.14 -1.94 -0.05 0.00 -1.05 0.00 0.00 58.31 55.42 2or4 n LYS 223 Cb 0.48 -1.40 -0.02 0.00 -0.65 0.00 0.00 35.03 33.43 2or4 n LYS 223 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2or4 s GLY 224 N -1.38 -0.27 -0.03 2.58 0.00 -1.25 -4.23 107.32 102.73 2or4 s GLY 224 Ca 0.29 1.70 0.01 0.00 0.00 0.00 0.00 44.72 46.72 2or4 s GLY 224 CO 0.25 0.61 -0.05 0.14 0.00 0.00 0.00 173.10 174.06 2or4 s VAL 225 N -2.25 0.48 -0.17 1.40 1.01 -0.47 -1.64 120.40 118.77 2or4 s VAL 225 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2or4 s VAL 225 Cb -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2or4 s VAL 225 CO -0.05 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.51 2or4 s ILE 226 N 0.60 3.05 -0.09 2.22 1.01 -0.03 -2.04 121.20 125.91 2or4 s ILE 226 Ca -0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2or4 s ILE 226 Cb -0.11 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2or4 s ILE 226 CO -0.00 0.49 0.01 -0.76 0.00 0.00 0.00 174.94 174.68 2or4 s LEU 227 N 0.92 3.65 0.08 2.97 1.43 -0.14 -1.39 118.68 126.20 2or4 s LEU 227 Ca -0.02 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2or4 s LEU 227 Cb -0.15 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2or4 s LEU 227 CO -0.00 0.37 0.09 -0.72 0.23 0.00 0.00 176.35 176.31 2or4 s TYR 228 N -0.82 0.42 -0.43 0.29 -0.85 -0.72 -0.69 117.35 114.54 2or4 s TYR 228 Ca 0.13 -0.89 -0.18 0.00 -0.52 0.00 0.00 57.07 55.61 2or4 s TYR 228 Cb -0.11 -0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.00 2or4 s TYR 228 CO 0.02 -0.49 0.49 -1.12 -1.52 0.00 0.00 175.55 172.94 2or4 s SER 229 N -2.92 6.22 0.16 -0.18 0.01 -1.14 0.08 113.70 115.93 2or4 s SER 229 Ca 0.09 -0.67 -0.29 0.00 1.31 0.00 0.00 55.95 56.40 2or4 s SER 229 Cb 0.06 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.98 2or4 s SER 229 CO -0.08 -0.65 0.92 -0.62 0.41 0.00 0.00 173.24 173.22 2or4 s ASP 230 N 1.96 7.52 0.65 2.44 2.15 -1.26 -3.95 116.67 126.17 2or4 s ASP 230 Ca 0.14 1.80 0.34 0.00 0.43 0.00 0.00 52.55 55.26 2or4 s ASP 230 Cb -0.17 -2.58 1.86 0.00 -0.30 0.00 0.00 42.92 41.74 2or4 s ASP 230 CO 0.14 0.05 2.08 -0.65 -0.17 0.00 0.00 175.17 176.63 2or4 h PRO 231 N 4.93 0.00 -0.74 4.34 0.11 -1.93 -0.04 132.00 138.67 2or4 h PRO 231 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 2or4 h PRO 231 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2or4 h PRO 231 CO 0.70 0.00 0.49 0.00 -0.21 0.00 0.00 178.00 178.98 2or4 h ALA 232 N 1.61 1.51 0.00 -0.75 0.00 -1.92 -0.10 119.26 119.61 2or4 h ALA 232 Ca 0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2or4 h ALA 232 Cb 0.47 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2or4 h ALA 232 CO -0.00 0.44 -2.17 -0.25 0.00 0.00 0.00 179.25 177.27 2or4 n ASP 233 N -4.44 0.03 -0.04 0.00 8.00 -0.33 -4.63 116.55 115.14 2or4 n ASP 233 Ca 0.09 0.01 0.03 0.00 0.71 0.00 0.00 54.79 55.62 2or4 n ASP 233 Cb 0.07 1.44 0.04 0.00 -0.02 0.00 0.00 41.12 42.64 2or4 n ASP 233 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2or4 n TYR 234 N -2.52 0.00 -3.63 1.24 4.02 -0.18 -4.86 117.16 111.23 2or4 n TYR 234 Ca -0.19 -0.55 -0.28 0.00 -0.01 0.00 0.00 57.90 56.87 2or4 n TYR 234 Cb 0.87 -0.07 -0.16 0.00 -0.02 0.00 0.00 39.34 39.96 2or4 n TYR 234 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2or4 s PHE 235 N -1.33 0.61 0.02 -0.72 5.36 -0.06 -3.24 117.98 118.62 2or4 s PHE 235 Ca 0.08 -0.81 -0.30 0.00 -0.96 0.00 0.00 56.93 54.94 2or4 s PHE 235 Cb 0.07 -0.97 -0.05 0.00 -0.34 0.00 0.00 43.02 41.74 2or4 s PHE 235 CO 0.01 -0.69 1.18 0.00 -1.46 0.00 0.00 175.22 174.26 2or4 s ALA 236 N 2.00 3.40 0.09 11.12 0.00 -1.26 -4.73 121.76 132.37 2or4 s ALA 236 Ca 0.05 0.76 -0.36 0.00 0.00 0.00 0.00 51.96 52.40 2or4 s ALA 236 Cb -0.16 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.33 2or4 s ALA 236 CO -0.21 -0.51 1.24 -2.30 0.00 0.00 0.00 175.76 173.98 2or4 n PRO 237 N 4.29 0.89 -0.83 0.00 -0.02 -1.26 -2.93 135.00 135.14 2or4 n PRO 237 Ca 0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2or4 n PRO 237 Cb 0.47 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2or4 n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2or4 n GLY 238 N 2.21 0.77 3.44 -1.23 0.00 -1.26 -5.03 105.19 104.09 2or4 n GLY 238 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2or4 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2or4 s VAL 239 N -2.93 2.64 0.36 1.61 1.01 -1.15 -5.12 120.40 116.83 2or4 s VAL 239 Ca 0.00 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.46 2or4 s VAL 239 Cb 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 2or4 s VAL 239 CO 0.00 0.30 0.91 -0.54 0.00 0.00 0.00 175.10 175.77 2or4 s LYS 240 N -1.53 4.35 0.67 2.72 -0.14 -1.26 -4.79 119.74 119.76 2or4 s LYS 240 Ca 0.14 1.15 -0.17 0.00 -1.36 0.00 0.00 55.97 55.73 2or4 s LYS 240 Cb -0.10 -2.49 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 2or4 s LYS 240 CO 0.05 0.14 1.21 0.43 -0.76 0.00 0.00 175.35 176.42 2or4 n SER 241 N -0.05 1.62 -4.77 2.83 7.64 -1.26 -2.16 113.62 117.47 2or4 n SER 241 Ca 0.04 0.78 -0.40 0.00 1.01 0.00 0.00 58.87 60.30 2or4 n SER 241 Cb 0.52 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.22 2or4 n SER 241 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2or4 s TYR 242 N -1.53 2.53 -2.21 1.43 5.04 -0.44 -1.39 117.35 120.76 2or4 s TYR 242 Ca 0.80 1.23 0.21 0.00 -2.44 0.00 0.00 57.07 56.87 2or4 s TYR 242 Cb -0.37 -3.95 0.86 0.00 0.35 0.00 0.00 41.96 38.85 2or4 s TYR 242 CO 0.43 -2.93 1.60 -0.35 -1.34 0.00 0.00 175.55 172.97 2or4 n PRO 243 N 0.10 1.54 0.00 4.97 -0.04 -1.26 -4.77 135.00 135.53 2or4 n PRO 243 Ca 0.03 -0.80 0.10 0.00 -0.04 0.00 0.00 63.50 62.79 2or4 n PRO 243 Cb 0.41 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2or4 n PRO 243 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2or4 n ASP 244 N 0.02 1.41 -0.66 3.54 8.00 -0.49 -5.00 116.55 123.38 2or4 n ASP 244 Ca 0.16 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2or4 n ASP 244 Cb 0.26 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 2or4 n ASP 244 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2or4 n GLY 245 N 1.39 2.53 1.18 0.44 0.00 -0.78 -4.68 105.19 105.28 2or4 n GLY 245 Ca 0.06 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.21 2or4 n GLY 245 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2or4 n TRP 246 N 0.00 0.69 -1.99 1.61 4.27 -1.00 -2.95 117.44 118.07 2or4 n TRP 246 Ca 0.00 -0.34 -0.32 0.00 -3.89 0.00 0.00 57.50 52.95 2or4 n TRP 246 Cb 0.00 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 29.96 2or4 n TRP 246 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 2or4 s ASN 247 N -1.26 5.91 -0.19 -0.67 0.01 -0.92 -4.25 114.94 113.58 2or4 s ASN 247 Ca 0.42 1.68 -0.29 0.00 -0.71 0.00 0.00 52.86 53.96 2or4 s ASN 247 Cb 0.23 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2or4 s ASN 247 CO 0.31 -1.08 1.06 -0.22 -1.51 0.00 0.00 177.10 175.66 2or4 s LEU 248 N -4.71 4.15 0.76 0.60 2.96 -1.20 -1.33 118.68 119.90 2or4 s LEU 248 Ca 0.60 1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 55.86 2or4 s LEU 248 Cb -0.14 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.06 2or4 s LEU 248 CO 0.41 -0.62 1.08 -2.16 -1.32 0.00 0.00 176.35 173.75 2or4 s PRO 249 N 2.89 2.39 0.55 0.98 0.04 -1.26 -4.87 135.00 135.71 2or4 s PRO 249 Ca 0.46 0.80 0.36 0.00 0.04 0.00 0.00 61.00 62.67 2or4 s PRO 249 Cb -0.17 -1.94 1.87 0.00 0.04 0.00 0.00 34.50 34.30 2or4 s PRO 249 CO 0.10 -1.45 2.11 0.78 0.04 0.00 0.00 177.00 178.58 2or4 h GLY 250 N -0.97 0.00 0.21 0.56 0.00 -1.98 -0.64 103.07 100.25 2or4 h GLY 250 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2or4 h GLY 250 CO 0.58 0.00 -0.60 0.61 0.00 0.00 0.00 176.54 177.12 2or4 n GLY 251 N -0.80 -0.83 3.76 4.60 0.00 -1.26 -1.71 105.19 108.95 2or4 n GLY 251 Ca -0.02 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 2or4 n GLY 251 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2or4 s GLY 252 N -2.81 2.76 -0.03 -0.02 0.00 -0.25 -4.58 107.32 102.38 2or4 s GLY 252 Ca 0.14 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.79 2or4 s GLY 252 CO 0.70 1.44 0.18 0.14 0.00 0.00 0.00 173.10 175.56 2or4 s VAL 253 N -1.56 0.04 -0.35 1.40 1.01 -1.26 -3.63 120.40 116.06 2or4 s VAL 253 Ca 0.71 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 2or4 s VAL 253 Cb -0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2or4 s VAL 253 CO 0.35 -0.19 0.33 -1.58 0.00 0.00 0.00 175.10 174.01 2or4 s GLN 254 N -0.69 3.48 0.88 2.72 0.74 -1.26 -3.99 119.66 121.54 2or4 s GLN 254 Ca -0.08 -0.54 -0.12 0.00 0.05 0.00 0.00 55.36 54.68 2or4 s GLN 254 Cb -0.05 -3.83 0.12 0.00 1.10 0.00 0.00 33.01 30.36 2or4 s GLN 254 CO 0.01 -0.54 1.10 1.03 -0.55 0.00 0.00 175.29 176.35 2or4 s ARG 255 N 1.93 1.37 0.00 1.67 0.52 -0.87 -4.82 118.95 118.75 2or4 s ARG 255 Ca 0.10 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 2or4 s ARG 255 Cb -0.17 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.46 2or4 s ARG 255 CO 0.11 -2.10 0.00 0.41 0.02 0.00 0.00 175.30 173.74 2or4 n GLY 256 N -1.71 3.58 3.77 -3.53 0.00 -1.24 -4.82 105.19 101.24 2or4 n GLY 256 Ca 0.07 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2or4 n GLY 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2or4 s ASN 257 N 0.00 6.64 -0.02 1.61 2.47 -1.26 -2.56 114.94 121.82 2or4 s ASN 257 Ca 0.00 2.79 0.05 0.00 0.42 0.00 0.00 52.86 56.12 2or4 s ASN 257 Cb 0.00 -2.65 0.11 0.00 -1.45 0.00 0.00 41.25 37.26 2or4 s ASN 257 CO 0.00 -0.65 1.08 2.30 -3.72 0.00 0.00 177.10 176.11 2or4 n ILE 258 N 0.89 1.14 -1.96 -5.21 -6.64 -1.09 -4.37 119.36 102.13 2or4 n ILE 258 Ca 0.01 -1.17 -0.34 0.00 -1.77 0.00 0.00 62.75 59.48 2or4 n ILE 258 Cb 0.41 0.39 0.03 0.00 -1.44 0.00 0.00 39.64 39.03 2or4 n ILE 258 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 2or4 s LEU 259 N -1.27 3.55 -0.67 7.28 1.43 -1.26 -4.43 118.68 123.31 2or4 s LEU 259 Ca 0.09 2.12 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 2or4 s LEU 259 Cb 0.07 -4.57 0.18 0.00 0.03 0.00 0.00 46.19 41.89 2or4 s LEU 259 CO 0.04 -1.50 0.50 0.59 0.23 0.00 0.00 176.35 176.21 2or4 n ASN 260 N -1.92 2.66 0.15 2.29 3.02 -1.03 -4.70 115.26 115.73 2or4 n ASN 260 Ca 0.11 -3.13 0.13 0.00 -0.03 0.00 0.00 54.58 51.66 2or4 n ASN 260 Cb 0.51 -0.73 0.30 0.00 -0.61 0.00 0.00 39.78 39.25 2or4 n ASN 260 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2or4 h LEU 261 N 5.31 0.00 -1.43 3.41 3.38 -1.87 -3.39 115.31 120.72 2or4 h LEU 261 Ca 0.17 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.57 2or4 h LEU 261 Cb 0.76 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.32 2or4 h LEU 261 CO 0.69 0.01 -0.87 0.59 0.09 0.00 0.00 178.44 178.94 2or4 n ASN 262 N -2.57 -1.89 0.00 -0.43 3.02 -1.26 -1.85 115.26 110.27 2or4 n ASN 262 Ca 0.05 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 2or4 n ASN 262 Cb 0.47 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 2or4 n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2or4 n GLY 263 N -1.64 0.74 0.13 7.41 0.00 -1.26 -4.37 105.19 106.20 2or4 n GLY 263 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2or4 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2or4 h ALA 264 N 0.00 0.71 0.00 4.61 0.00 -1.74 -3.47 119.26 119.37 2or4 h ALA 264 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2or4 h ALA 264 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2or4 h ALA 264 CO 0.00 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2or4 n GLY 265 N 0.91 0.20 3.64 0.00 0.00 -1.26 -4.38 105.19 104.29 2or4 n GLY 265 Ca 0.01 -1.27 -0.54 0.00 0.00 0.00 0.00 46.02 44.21 2or4 n GLY 265 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2or4 n ASP 266 N 1.69 1.91 0.14 1.61 2.03 -1.26 -4.82 116.55 117.85 2or4 n ASP 266 Ca 0.00 1.10 0.17 0.00 0.52 0.00 0.00 54.79 56.58 2or4 n ASP 266 Cb 0.00 -1.17 0.75 0.00 -0.72 0.00 0.00 41.12 39.99 2or4 n ASP 266 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2or4 h PRO 267 N 5.58 0.00 0.00 -0.67 0.11 -1.88 -2.66 132.00 132.48 2or4 h PRO 267 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2or4 h PRO 267 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2or4 h PRO 267 CO 0.85 0.00 -0.48 1.28 -0.21 0.00 0.00 178.00 179.44 2or4 n LEU 268 N -4.08 0.54 -2.70 2.35 4.77 -1.26 -1.94 117.00 114.67 2or4 n LEU 268 Ca 0.04 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 2or4 n LEU 268 Cb 0.40 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2or4 n LEU 268 CO 0.31 0.02 -0.09 0.35 -1.33 0.00 0.00 177.39 176.66 2or4 n THR 269 N -1.78 1.08 -1.85 -5.08 -2.24 -1.00 -1.38 114.28 102.03 2or4 n THR 269 Ca 0.05 -3.52 -0.42 0.00 -2.27 0.00 0.00 64.05 57.89 2or4 n THR 269 Cb 0.38 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2or4 n THR 269 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2or4 s PRO 270 N -3.10 4.18 0.00 -0.78 0.04 -1.25 -2.05 135.00 132.03 2or4 s PRO 270 Ca 0.32 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2or4 s PRO 270 Cb 0.44 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2or4 s PRO 270 CO -0.01 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2or4 n GLY 271 N 3.85 2.19 2.95 0.56 0.00 -1.26 -5.04 105.19 108.44 2or4 n GLY 271 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2or4 n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2or4 s TYR 272 N -2.41 0.19 0.47 1.61 2.02 -0.87 -4.98 117.35 113.38 2or4 s TYR 272 Ca 0.00 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.08 2or4 s TYR 272 Cb 0.00 -0.14 -0.07 0.00 -0.40 0.00 0.00 41.96 41.35 2or4 s TYR 272 CO 0.00 -0.14 1.17 -1.25 -1.57 0.00 0.00 175.55 173.75 2or4 s PRO 273 N -1.10 3.70 -1.52 -1.71 0.04 -1.26 -4.81 135.00 128.34 2or4 s PRO 273 Ca -0.12 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 2or4 s PRO 273 Cb -0.08 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 2or4 s PRO 273 CO -0.01 -0.60 2.60 0.00 0.04 0.00 0.00 177.00 179.03 2or4 n ALA 274 N -0.57 6.75 -1.62 8.56 0.00 -1.26 -4.75 120.51 127.61 2or4 n ALA 274 Ca 0.08 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.76 2or4 n ALA 274 Cb 0.48 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.62 2or4 n ALA 274 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2or4 n ASN 275 N 4.07 0.00 0.06 0.00 0.23 -1.26 -1.14 115.26 117.22 2or4 n ASN 275 Ca 0.66 -0.63 -0.04 0.00 -0.53 0.00 0.00 54.58 54.04 2or4 n ASN 275 Cb 0.29 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.16 2or4 n ASN 275 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2or4 h GLU 276 N 0.00 0.34 -0.52 -3.83 4.57 -1.93 -3.00 114.58 110.21 2or4 h GLU 276 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2or4 h GLU 276 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2or4 h GLU 276 CO 0.00 0.71 0.00 2.48 -1.18 0.00 0.00 179.01 181.02 2or4 n TYR 277 N -4.01 0.76 -1.69 0.92 0.18 -1.26 -5.01 117.16 107.05 2or4 n TYR 277 Ca -0.02 -0.52 -0.43 0.00 1.88 0.00 0.00 57.90 58.81 2or4 n TYR 277 Cb 0.50 -0.04 -0.01 0.00 -0.38 0.00 0.00 39.34 39.41 2or4 n TYR 277 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2or4 n ALA 278 N 0.99 1.34 -2.43 -3.48 0.00 -1.13 -4.98 120.51 110.81 2or4 n ALA 278 Ca 0.18 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.62 2or4 n ALA 278 Cb 0.56 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 2or4 n ALA 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2or4 s TYR 279 N -0.61 3.72 -0.06 0.00 5.04 -1.26 -4.98 117.35 119.19 2or4 s TYR 279 Ca 0.61 1.21 0.03 0.00 -2.44 0.00 0.00 57.07 56.48 2or4 s TYR 279 Cb -0.59 -2.57 -0.02 0.00 0.35 0.00 0.00 41.96 39.12 2or4 s TYR 279 CO 0.56 0.42 -0.14 1.03 -1.34 0.00 0.00 175.55 176.08 2or4 s ARG 280 N -0.46 2.66 0.48 4.97 0.52 -1.26 -4.79 118.95 121.07 2or4 s ARG 280 Ca 0.30 -0.70 -0.23 0.00 -0.52 0.00 0.00 55.73 54.58 2or4 s ARG 280 Cb -0.19 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 32.79 2or4 s ARG 280 CO 0.18 0.54 1.16 0.54 0.02 0.00 0.00 175.30 177.74 2or4 n ARG 281 N 2.54 1.54 -2.10 3.54 1.74 -0.48 -4.97 116.66 118.47 2or4 n ARG 281 Ca -0.17 0.56 -0.38 0.00 -0.77 0.00 0.00 57.85 57.08 2or4 n ARG 281 Cb 0.52 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 2or4 n ARG 281 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2or4 s GLY 282 N -0.80 2.85 0.34 -0.13 0.00 -1.26 -4.87 107.32 103.45 2or4 s GLY 282 Ca 0.66 1.10 0.15 0.00 0.00 0.00 0.00 44.72 46.63 2or4 s GLY 282 CO 0.54 1.61 1.65 -2.22 0.00 0.00 0.00 173.10 174.68 2or4 h ILE 283 N 1.95 0.26 -0.05 0.90 1.08 -1.99 0.13 117.51 119.79 2or4 h ILE 283 Ca -0.50 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2or4 h ILE 283 Cb 1.26 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2or4 h ILE 283 CO 0.60 0.05 0.06 0.00 -0.69 0.00 0.00 178.15 178.17 2or4 h ALA 284 N 1.87 1.59 -0.57 1.87 0.00 -2.03 -0.64 119.26 121.34 2or4 h ALA 284 Ca 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.65 2or4 h ALA 284 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2or4 h ALA 284 CO -0.63 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 178.93 2or4 n GLU 285 N -3.82 3.04 -1.34 0.00 4.71 0.44 -5.03 120.64 118.65 2or4 n GLU 285 Ca -0.02 -2.56 -0.33 0.00 -0.01 0.00 0.00 57.16 54.24 2or4 n GLU 285 Cb 0.15 -1.58 0.10 0.00 -1.01 0.00 0.00 31.44 29.10 2or4 n GLU 285 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2or4 s ALA 286 N -1.33 2.06 -0.15 0.62 0.00 -0.25 -4.92 121.76 117.78 2or4 s ALA 286 Ca 0.42 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 2or4 s ALA 286 Cb 0.24 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2or4 s ALA 286 CO 0.25 -1.95 0.77 0.08 0.00 0.00 0.00 175.76 174.91 2or4 s VAL 287 N -2.18 4.94 -0.07 0.00 1.01 -0.82 -4.34 120.40 118.93 2or4 s VAL 287 Ca 0.72 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.22 2or4 s VAL 287 Cb -0.26 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2or4 s VAL 287 CO 0.48 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2or4 n GLY 288 N 3.46 0.48 3.71 4.51 0.00 -1.26 -4.66 105.19 111.42 2or4 n GLY 288 Ca 0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2or4 n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2or4 s LEU 289 N -0.15 4.35 0.52 0.99 1.02 -1.26 -2.48 118.68 121.67 2or4 s LEU 289 Ca 0.00 1.69 -0.20 0.00 0.02 0.00 0.00 54.13 55.64 2or4 s LEU 289 Cb 0.00 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.58 2or4 s LEU 289 CO 0.00 -0.31 1.13 -2.16 0.02 0.00 0.00 176.35 175.03 2or4 s PRO 290 N 1.15 3.49 0.00 1.29 0.04 -1.26 -4.96 135.00 134.76 2or4 s PRO 290 Ca 0.52 1.62 0.25 0.00 0.04 0.00 0.00 61.00 63.43 2or4 s PRO 290 Cb -0.22 -2.10 0.33 0.00 0.04 0.00 0.00 34.50 32.55 2or4 s PRO 290 CO 0.27 -0.74 1.33 -1.13 0.04 0.00 0.00 177.00 176.77 2or4 n SER 291 N -1.08 2.62 -4.11 6.66 3.41 -1.26 -4.41 113.62 115.44 2or4 n SER 291 Ca 0.10 -1.85 -0.20 0.00 -0.26 0.00 0.00 58.87 56.66 2or4 n SER 291 Cb 0.50 0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 2or4 n SER 291 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2or4 s ILE 292 N -2.05 1.03 0.58 -1.33 -4.36 -1.26 -4.97 121.20 108.84 2or4 s ILE 292 Ca 0.29 -0.81 -0.20 0.00 -0.26 0.00 0.00 60.65 59.67 2or4 s ILE 292 Cb 0.20 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 2or4 s ILE 292 CO 0.34 0.10 1.28 -2.84 0.24 0.00 0.00 174.94 174.06 2or4 s PRO 293 N -0.81 2.99 0.00 0.37 0.02 -1.26 -4.34 135.00 131.97 2or4 s PRO 293 Ca 0.02 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.07 2or4 s PRO 293 Cb -0.07 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 2or4 s PRO 293 CO 0.01 -1.24 0.02 0.08 -0.33 0.00 0.00 177.00 175.53 2or4 s VAL 294 N -1.43 0.05 -0.19 3.83 1.01 -1.26 -1.36 120.40 121.05 2or4 s VAL 294 Ca 0.75 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 2or4 s VAL 294 Cb -0.36 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 35.91 2or4 s VAL 294 CO 0.40 -0.21 0.51 -2.28 0.00 0.00 0.00 175.10 173.52 2or4 s HIS 295 N -0.64 -0.58 0.03 5.22 5.04 -0.87 -4.30 115.29 119.20 2or4 s HIS 295 Ca -0.07 1.39 -0.01 0.00 -1.54 0.00 0.00 55.06 54.83 2or4 s HIS 295 Cb -0.04 0.21 -0.04 0.00 0.04 0.00 0.00 32.58 32.74 2or4 s HIS 295 CO -0.00 -0.28 0.20 -1.25 -2.34 0.00 0.00 174.74 171.06 2or4 s PRO 296 N 0.35 3.43 0.08 2.88 0.04 -1.26 -0.97 135.00 139.55 2or4 s PRO 296 Ca -0.01 -0.39 -0.05 0.00 0.04 0.00 0.00 61.00 60.59 2or4 s PRO 296 Cb -0.04 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 2or4 s PRO 296 CO -0.00 0.64 0.09 0.96 0.04 0.00 0.00 177.00 178.72 2or4 s ILE 297 N -1.43 0.17 0.86 0.56 -4.36 0.13 -4.80 121.20 112.32 2or4 s ILE 297 Ca 0.32 -1.55 -0.10 0.00 -0.26 0.00 0.00 60.65 59.06 2or4 s ILE 297 Cb -0.13 -1.53 0.16 0.00 1.25 0.00 0.00 42.46 42.21 2or4 s ILE 297 CO 0.24 -0.75 1.19 -0.83 0.24 0.00 0.00 174.94 175.02 2or4 s GLY 298 N -2.91 1.76 0.36 6.27 0.00 -1.24 -2.90 107.32 108.66 2or4 s GLY 298 Ca 0.09 -1.32 0.21 0.00 0.00 0.00 0.00 44.72 43.70 2or4 s GLY 298 CO -0.08 -0.65 1.48 0.10 0.00 0.00 0.00 173.10 173.95 2or4 h TYR 299 N -1.18 0.00 0.13 1.90 -0.00 -1.62 0.21 116.97 116.41 2or4 h TYR 299 Ca -0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.31 2or4 h TYR 299 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.98 2or4 h TYR 299 CO -0.66 0.15 -0.09 1.88 -0.00 0.00 0.00 178.16 179.43 2or4 h TYR 300 N 0.00 -0.24 -0.71 0.10 0.05 -1.69 -0.31 116.97 114.17 2or4 h TYR 300 Ca -0.01 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 2or4 h TYR 300 Cb 1.12 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.92 2or4 h TYR 300 CO 0.00 -0.15 0.31 -0.44 -1.05 0.00 0.00 178.16 176.84 2or4 h ASP 301 N -0.23 0.96 -0.71 3.88 3.32 -1.76 -2.99 116.42 118.90 2or4 h ASP 301 Ca -0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2or4 h ASP 301 Cb 0.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2or4 h ASP 301 CO -0.00 0.84 0.43 0.00 -1.72 0.00 0.00 179.24 178.79 2or4 h ALA 302 N 1.15 0.90 -0.78 3.45 0.00 -0.80 -2.54 119.26 120.63 2or4 h ALA 302 Ca 0.24 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2or4 h ALA 302 Cb 0.16 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 2or4 h ALA 302 CO -0.03 0.37 0.32 0.37 0.00 0.00 0.00 179.25 180.29 2or4 h GLN 303 N 0.97 0.44 -0.25 0.00 5.75 -0.91 0.42 115.11 121.53 2or4 h GLN 303 Ca 0.25 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2or4 h GLN 303 Cb -0.03 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2or4 h GLN 303 CO -0.05 0.29 -0.08 0.87 -2.65 0.00 0.00 178.83 177.22 2or4 h LYS 304 N 0.45 0.39 0.04 1.69 1.79 -1.36 0.83 116.57 120.39 2or4 h LYS 304 Ca 0.44 -0.09 -0.24 0.00 -2.18 0.00 0.00 60.65 58.58 2or4 h LYS 304 Cb 0.69 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 2or4 h LYS 304 CO -0.42 0.48 -1.16 -0.07 -1.08 0.00 0.00 179.45 177.20 2or4 h LEU 305 N 0.37 0.14 0.00 2.94 3.38 -0.88 -3.37 115.31 117.90 2or4 h LEU 305 Ca 0.08 -0.16 -0.28 0.00 0.09 0.00 0.00 57.88 57.60 2or4 h LEU 305 Cb 0.37 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2or4 h LEU 305 CO 0.02 1.13 -1.60 -0.07 0.09 0.00 0.00 178.44 178.01 2or4 h LEU 306 N 0.03 0.00 -1.29 1.67 3.38 -0.77 -3.39 115.31 114.93 2or4 h LEU 306 Ca -0.08 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.01 2or4 h LEU 306 Cb 1.86 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 2or4 h LEU 306 CO 0.15 1.00 0.56 1.05 0.09 0.00 0.00 178.44 181.29 2or4 h GLU 307 N 0.00 0.71 -0.01 1.13 4.11 -0.99 -1.61 114.58 117.91 2or4 h GLU 307 Ca -0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2or4 h GLU 307 Cb 1.98 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2or4 h GLU 307 CO 0.09 0.47 -0.02 1.63 0.07 0.00 0.00 179.01 181.25 2or4 n LYS 308 N -4.54 1.41 -1.79 1.06 5.02 -1.26 -4.84 118.16 113.21 2or4 n LYS 308 Ca 0.16 -0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 55.38 2or4 n LYS 308 Cb 0.41 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 2or4 n LYS 308 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2or4 s MET 309 N -2.04 4.13 0.00 1.97 -1.94 -0.61 -0.59 119.30 120.22 2or4 s MET 309 Ca 0.40 2.56 0.00 0.00 -1.71 0.00 0.00 55.69 56.94 2or4 s MET 309 Cb 0.21 -3.03 0.00 0.00 2.01 0.00 0.00 34.83 34.03 2or4 s MET 309 CO 0.36 -0.62 0.00 0.41 -0.01 0.00 0.00 175.02 175.16 2or4 n GLY 310 N 2.09 4.21 7.00 -0.03 0.00 0.27 -4.44 105.19 114.29 2or4 n GLY 310 Ca 0.08 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2or4 n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2or4 n GLY 311 N 5.00 2.53 3.79 -0.02 0.00 -1.26 -1.50 105.19 113.73 2or4 n GLY 311 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2or4 n GLY 311 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2or4 s SER 312 N -4.00 6.42 0.77 1.61 0.01 -0.84 -4.75 113.70 112.93 2or4 s SER 312 Ca 0.00 2.01 -0.11 0.00 1.31 0.00 0.00 55.95 59.16 2or4 s SER 312 Cb 0.00 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.71 2or4 s SER 312 CO 0.00 -0.73 1.08 0.00 0.41 0.00 0.00 173.24 174.01 2or4 s ALA 313 N -1.82 2.27 0.41 1.44 0.00 -1.26 -0.64 121.76 122.15 2or4 s ALA 313 Ca 0.64 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 2or4 s ALA 313 Cb -0.20 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 2or4 s ALA 313 CO 0.24 -1.69 1.37 -0.35 0.00 0.00 0.00 175.76 175.33 2or4 n PRO 314 N -3.44 2.22 0.24 0.00 -0.04 -1.23 -4.50 135.00 128.25 2or4 n PRO 314 Ca 0.08 0.79 0.10 0.00 -0.04 0.00 0.00 63.50 64.43 2or4 n PRO 314 Cb 0.54 -2.51 0.61 0.00 -0.04 0.00 0.00 33.50 32.11 2or4 n PRO 314 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2or4 h PRO 315 N 2.41 0.00 -2.40 0.54 0.13 -1.93 -3.46 132.00 127.29 2or4 h PRO 315 Ca -0.49 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.86 2or4 h PRO 315 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2or4 h PRO 315 CO 0.62 0.18 0.68 0.16 -0.23 0.00 0.00 178.00 179.40 2or4 s ASP 316 N -6.32 0.00 0.51 1.44 1.47 -1.26 -5.05 116.67 107.46 2or4 s ASP 316 Ca -0.02 -0.53 0.28 0.00 1.18 0.00 0.00 52.55 53.46 2or4 s ASP 316 Cb 0.13 0.39 1.31 0.00 -0.34 0.00 0.00 42.92 44.41 2or4 s ASP 316 CO 0.62 -0.78 1.99 0.77 0.68 0.00 0.00 175.17 178.44 2or4 h SER 317 N 2.00 0.00 0.28 2.11 4.64 -1.96 -2.58 113.55 118.04 2or4 h SER 317 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2or4 h SER 317 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2or4 h SER 317 CO 0.34 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.90 2or4 n SER 318 N -3.42 0.00 -0.02 4.97 3.41 -1.26 -1.40 113.62 115.90 2or4 n SER 318 Ca -0.01 -0.17 0.10 0.00 -0.26 0.00 0.00 58.87 58.53 2or4 n SER 318 Cb 0.31 -0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 2or4 n SER 318 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2or4 n TRP 319 N -1.21 0.00 -3.39 7.33 7.02 -0.97 -4.92 117.44 121.30 2or4 n TRP 319 Ca 0.11 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.20 2or4 n TRP 319 Cb 0.14 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.94 2or4 n TRP 319 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2or4 s ARG 320 N -2.98 4.07 0.00 -0.99 0.52 -0.50 -4.86 118.95 114.21 2or4 s ARG 320 Ca 0.08 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2or4 s ARG 320 Cb 0.16 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 32.01 2or4 s ARG 320 CO 0.86 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.39 2or4 n GLY 321 N 4.44 -0.21 0.77 -3.53 0.00 -1.26 -5.03 105.19 100.37 2or4 n GLY 321 Ca -0.08 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.42 2or4 n GLY 321 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2or4 n SER 322 N 0.00 2.59 -4.82 1.61 7.64 -1.26 -4.96 113.62 114.42 2or4 n SER 322 Ca 0.00 -1.80 -0.32 0.00 1.01 0.00 0.00 58.87 57.76 2or4 n SER 322 Cb 0.00 0.08 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 2or4 n SER 322 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2or4 s LEU 323 N -1.85 3.42 -1.38 -3.43 1.43 -1.26 -4.92 118.68 110.70 2or4 s LEU 323 Ca 0.23 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 2or4 s LEU 323 Cb 0.17 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.98 2or4 s LEU 323 CO 0.30 -1.05 2.06 0.29 0.23 0.00 0.00 176.35 178.18 2or4 n LYS 324 N -2.23 3.19 -3.96 1.70 5.02 -1.26 -4.84 118.16 115.77 2or4 n LYS 324 Ca 0.08 -3.03 -0.08 0.00 -2.02 0.00 0.00 58.31 53.26 2or4 n LYS 324 Cb 0.53 -3.14 -0.09 0.00 -0.02 0.00 0.00 35.03 32.32 2or4 n LYS 324 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2or4 s VAL 325 N 2.02 0.17 0.23 -0.18 -7.23 -1.26 -4.98 120.40 109.17 2or4 s VAL 325 Ca 0.44 -1.43 0.17 0.00 -1.81 0.00 0.00 61.98 59.35 2or4 s VAL 325 Cb 0.12 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.82 2or4 s VAL 325 CO -0.04 -0.79 1.76 1.55 -0.31 0.00 0.00 175.10 177.26 2or4 h PRO 326 N 3.04 0.00 -3.35 4.82 0.13 -1.88 -3.47 132.00 131.29 2or4 h PRO 326 Ca -0.34 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.53 2or4 h PRO 326 Cb 1.17 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.36 2or4 h PRO 326 CO 0.59 0.39 -0.40 0.66 -0.23 0.00 0.00 178.00 179.01 2or4 n TYR 327 N -3.66 -1.43 -1.91 1.56 4.01 -1.26 -4.63 117.16 109.83 2or4 n TYR 327 Ca -0.01 0.43 -0.40 0.00 -0.16 0.00 0.00 57.90 57.76 2or4 n TYR 327 Cb 0.49 -3.36 0.01 0.00 -0.31 0.00 0.00 39.34 36.17 2or4 n TYR 327 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2or4 s ASN 328 N -2.93 6.04 0.40 7.72 0.01 -1.26 -3.51 114.94 121.41 2or4 s ASN 328 Ca 0.25 2.79 0.21 0.00 -0.71 0.00 0.00 52.86 55.40 2or4 s ASN 328 Cb -0.11 -2.65 0.31 0.00 0.41 0.00 0.00 41.25 39.22 2or4 s ASN 328 CO 0.31 -1.05 1.58 0.58 -1.51 0.00 0.00 177.10 177.01 2or4 h VAL 329 N 2.33 0.24 0.00 1.60 2.07 -1.03 -3.41 116.25 118.05 2or4 h VAL 329 Ca -0.50 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2or4 h VAL 329 Cb 1.26 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2or4 h VAL 329 CO 0.62 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.95 2or4 n GLY 330 N 1.08 -0.66 3.76 2.17 0.00 -0.56 -1.36 105.19 109.63 2or4 n GLY 330 Ca 0.03 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2or4 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2or4 s PRO 331 N 0.00 3.05 1.10 1.61 0.04 -1.26 -1.99 135.00 137.56 2or4 s PRO 331 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2or4 s PRO 331 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2or4 s PRO 331 CO 0.00 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2or4 n GLY 332 N 0.33 -1.71 3.93 0.56 0.00 0.86 -4.20 105.19 104.97 2or4 n GLY 332 Ca 0.13 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 2or4 n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2or4 s PHE 333 N -0.42 3.48 0.69 1.61 2.99 -1.26 -0.57 117.98 124.50 2or4 s PHE 333 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 56.93 57.09 2or4 s PHE 333 Cb 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 43.02 41.19 2or4 s PHE 333 CO 0.00 0.33 1.27 0.95 -0.00 0.00 0.00 175.22 177.77 2or4 s THR 334 N -1.97 2.06 0.07 0.64 -4.23 0.25 -4.16 115.64 108.30 2or4 s THR 334 Ca 0.39 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 2or4 s THR 334 Cb -0.11 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 70.95 2or4 s THR 334 CO 0.30 -0.01 0.46 0.61 -0.54 0.00 0.00 174.62 175.44 2or4 n GLY 335 N 0.76 -0.63 0.34 3.99 0.00 -1.26 -0.32 105.19 108.08 2or4 n GLY 335 Ca 0.15 0.34 0.10 0.00 0.00 0.00 0.00 46.02 46.61 2or4 n GLY 335 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2or4 h ASN 336 N 0.00 0.39 -0.39 1.61 4.21 -1.99 -2.42 115.58 116.99 2or4 h ASN 336 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2or4 h ASN 336 Cb 0.17 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2or4 h ASN 336 CO -0.29 0.25 0.00 0.49 -1.29 0.00 0.00 177.43 176.58 2or4 n PHE 337 N -4.47 0.67 0.29 1.19 3.01 0.57 -4.73 117.46 113.98 2or4 n PHE 337 Ca 0.08 -0.57 0.18 0.00 1.01 0.00 0.00 57.45 58.15 2or4 n PHE 337 Cb 0.30 -0.09 0.91 0.00 -0.01 0.00 0.00 39.48 40.59 2or4 n PHE 337 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2or4 h SER 338 N 2.35 0.00 0.23 4.37 4.64 -1.07 -0.27 113.55 123.79 2or4 h SER 338 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2or4 h SER 338 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2or4 h SER 338 CO 0.06 0.00 -0.70 0.35 -0.87 0.00 0.00 176.83 175.67 2or4 n THR 339 N -3.18 0.00 -2.52 2.95 -2.24 -1.26 -4.76 114.28 103.27 2or4 n THR 339 Ca -0.01 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 2or4 n THR 339 Cb 0.32 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 2or4 n THR 339 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2or4 s GLN 340 N -2.93 4.21 0.39 -0.78 -0.21 -0.11 -4.00 119.66 116.23 2or4 s GLN 340 Ca 0.11 1.57 0.04 0.00 0.02 0.00 0.00 55.36 57.11 2or4 s GLN 340 Cb 0.17 -2.63 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 2or4 s GLN 340 CO 0.75 -0.11 0.04 0.15 -2.12 0.00 0.00 175.29 174.00 2or4 s LYS 341 N -2.35 1.88 -0.09 2.91 -0.14 -0.33 -4.79 119.74 116.83 2or4 s LYS 341 Ca 0.56 -2.09 -0.01 0.00 -1.36 0.00 0.00 55.97 53.07 2or4 s LYS 341 Cb -0.24 -1.19 -0.03 0.00 -1.68 0.00 0.00 37.83 34.69 2or4 s LYS 341 CO 0.30 -0.21 -0.03 0.08 -0.76 0.00 0.00 175.35 174.73 2or4 s VAL 342 N -3.03 4.01 -0.11 3.17 1.01 -0.01 -0.94 120.40 124.51 2or4 s VAL 342 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2or4 s VAL 342 Cb 0.07 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2or4 s VAL 342 CO 0.14 0.58 -0.09 -0.75 0.00 0.00 0.00 175.10 174.98 2or4 s LYS 343 N -0.60 1.62 0.24 2.72 2.20 0.05 -0.74 119.74 125.23 2or4 s LYS 343 Ca 0.09 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.29 2or4 s LYS 343 Cb -0.12 -1.58 -0.07 0.00 -1.51 0.00 0.00 37.83 34.55 2or4 s LYS 343 CO 0.02 -0.20 0.56 -1.64 -0.36 0.00 0.00 175.35 173.74 2or4 s MET 344 N 1.46 3.82 -0.26 4.03 -1.94 -0.56 -0.55 119.30 125.31 2or4 s MET 344 Ca 0.01 0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 54.29 2or4 s MET 344 Cb -0.13 -2.64 0.08 0.00 2.01 0.00 0.00 34.83 34.15 2or4 s MET 344 CO -0.06 0.31 0.06 -1.01 -0.01 0.00 0.00 175.02 174.31 2or4 s HIS 345 N -1.82 1.50 -0.14 -0.03 0.09 0.13 -3.84 115.29 111.18 2or4 s HIS 345 Ca 0.48 -1.42 0.02 0.00 -0.00 0.00 0.00 55.06 54.13 2or4 s HIS 345 Cb -0.11 -1.45 0.02 0.00 -0.00 0.00 0.00 32.58 31.04 2or4 s HIS 345 CO 0.21 -0.78 -0.18 0.42 -0.00 0.00 0.00 174.74 174.41 2or4 s ILE 346 N 1.69 1.76 -0.03 0.60 -1.09 -0.33 -1.84 121.20 121.96 2or4 s ILE 346 Ca 0.05 -0.78 0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2or4 s ILE 346 Cb -0.17 -1.60 0.07 0.00 -1.58 0.00 0.00 42.46 39.18 2or4 s ILE 346 CO -0.18 0.49 0.90 1.41 -1.23 0.00 0.00 174.94 176.33 2or4 n HIS 347 N 4.34 0.00 -1.02 3.97 8.25 -1.26 -1.00 115.22 128.50 2or4 n HIS 347 Ca -0.19 -0.33 -0.32 0.00 -0.26 0.00 0.00 57.72 56.62 2or4 n HIS 347 Cb 0.51 -0.06 0.13 0.00 1.12 0.00 0.00 29.99 31.69 2or4 n HIS 347 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2or4 s SER 348 N -1.17 3.60 0.04 0.41 0.01 -1.26 -4.17 113.70 111.15 2or4 s SER 348 Ca 0.07 2.16 0.05 0.00 1.31 0.00 0.00 55.95 59.54 2or4 s SER 348 Cb 0.06 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 2or4 s SER 348 CO 0.01 -2.65 -0.14 0.42 0.41 0.00 0.00 173.24 171.28 2or4 s THR 349 N -2.52 1.14 -0.05 1.44 -4.23 -0.48 -4.53 115.64 106.41 2or4 s THR 349 Ca 0.68 -1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.05 2or4 s THR 349 Cb -0.23 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 2or4 s THR 349 CO 0.54 0.02 0.38 0.20 -0.54 0.00 0.00 174.62 175.22 2or4 s ASN 350 N -1.11 6.71 -0.14 3.99 0.01 -1.26 -1.70 114.94 121.44 2or4 s ASN 350 Ca 0.02 0.84 -0.10 0.00 -0.71 0.00 0.00 52.86 52.91 2or4 s ASN 350 Cb -0.08 -2.23 0.04 0.00 0.41 0.00 0.00 41.25 39.40 2or4 s ASN 350 CO 0.01 0.27 0.35 -1.61 -1.51 0.00 0.00 177.10 174.61 2or4 s GLU 351 N -0.68 0.38 0.04 -0.60 2.02 0.47 -4.95 118.70 115.39 2or4 s GLU 351 Ca 0.22 0.57 -0.31 0.00 0.02 0.00 0.00 54.97 55.48 2or4 s GLU 351 Cb -0.16 0.10 -0.07 0.00 0.10 0.00 0.00 34.13 34.11 2or4 s GLU 351 CO 0.11 -0.09 1.42 0.08 0.02 0.00 0.00 175.26 176.80 2or4 s VAL 352 N 0.64 3.51 -0.00 2.63 1.01 -1.26 -0.84 120.40 126.09 2or4 s VAL 352 Ca -0.04 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 2or4 s VAL 352 Cb -0.05 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 2or4 s VAL 352 CO -0.04 0.02 0.04 -0.89 0.00 0.00 0.00 175.10 174.23 2or4 s THR 353 N 2.01 0.05 0.16 3.92 2.01 0.33 -4.89 115.64 119.23 2or4 s THR 353 Ca 0.65 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2or4 s THR 353 Cb -0.34 -0.20 -0.07 0.00 0.01 0.00 0.00 72.50 71.89 2or4 s THR 353 CO 0.28 -0.23 0.86 -0.60 -0.69 0.00 0.00 174.62 174.24 2or4 s ARG 354 N -0.72 4.67 0.21 4.92 3.52 -1.26 -1.26 118.95 129.03 2or4 s ARG 354 Ca -0.08 1.30 0.07 0.00 -0.13 0.00 0.00 55.73 56.89 2or4 s ARG 354 Cb -0.05 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 2or4 s ARG 354 CO -0.00 0.44 -0.12 0.96 -0.81 0.00 0.00 175.30 175.77 2or4 s ILE 355 N -0.76 1.60 -0.05 4.11 -4.36 0.27 -4.34 121.20 117.67 2or4 s ILE 355 Ca 0.40 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.61 2or4 s ILE 355 Cb -0.24 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.40 2or4 s ILE 355 CO 0.28 -0.55 0.03 -0.31 0.24 0.00 0.00 174.94 174.63 2or4 s TYR 356 N -3.06 0.37 -0.05 1.37 2.02 -1.26 -1.86 117.35 114.88 2or4 s TYR 356 Ca 0.23 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.92 2or4 s TYR 356 Cb 0.01 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 2or4 s TYR 356 CO 0.07 -0.25 0.17 -0.80 -1.57 0.00 0.00 175.55 173.17 2or4 s ASN 357 N 2.00 6.39 -0.23 2.29 0.01 0.28 -4.03 114.94 121.65 2or4 s ASN 357 Ca 0.04 0.42 -0.10 0.00 -0.71 0.00 0.00 52.86 52.51 2or4 s ASN 357 Cb -0.12 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 2or4 s ASN 357 CO -0.04 0.32 0.14 -0.69 -1.51 0.00 0.00 177.10 175.33 2or4 s VAL 358 N -1.20 5.24 -0.23 1.60 1.01 -0.52 -0.56 120.40 125.74 2or4 s VAL 358 Ca 0.22 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2or4 s VAL 358 Cb -0.12 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.87 2or4 s VAL 358 CO 0.12 0.36 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 2or4 s ILE 359 N 0.99 1.95 -0.03 2.22 -1.09 0.14 -1.32 121.20 124.06 2or4 s ILE 359 Ca 0.07 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 2or4 s ILE 359 Cb -0.13 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 2or4 s ILE 359 CO 0.04 0.12 0.00 -0.83 -1.23 0.00 0.00 174.94 173.04 2or4 s GLY 360 N 1.24 1.86 -0.06 6.18 0.00 0.10 -0.98 107.32 115.66 2or4 s GLY 360 Ca -0.04 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 43.82 2or4 s GLY 360 CO -0.07 -0.73 -0.19 -1.59 0.00 0.00 0.00 173.10 170.51 2or4 s THR 361 N -1.02 1.63 -0.34 0.90 2.01 -0.16 -0.96 115.64 117.70 2or4 s THR 361 Ca 0.17 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2or4 s THR 361 Cb -0.11 -1.41 0.10 0.00 0.01 0.00 0.00 72.50 71.09 2or4 s THR 361 CO 0.08 0.46 0.06 -0.22 -0.69 0.00 0.00 174.62 174.31 2or4 s LEU 362 N 0.18 4.75 0.27 4.42 2.96 -0.08 -1.36 118.68 129.81 2or4 s LEU 362 Ca -0.09 -2.08 -0.31 0.00 -0.22 0.00 0.00 54.13 51.44 2or4 s LEU 362 Cb -0.14 -1.66 -0.12 0.00 0.50 0.00 0.00 46.19 44.77 2or4 s LEU 362 CO 0.04 -0.39 1.61 -1.14 -1.32 0.00 0.00 176.35 175.15 2or4 n ARG 363 N 4.32 2.66 -2.35 1.98 0.63 -1.26 -1.61 116.66 121.03 2or4 n ARG 363 Ca 0.02 0.95 -0.36 0.00 -0.92 0.00 0.00 57.85 57.54 2or4 n ARG 363 Cb 0.42 -2.74 -0.02 0.00 0.45 0.00 0.00 32.46 30.58 2or4 n ARG 363 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2or4 s GLY 364 N 0.64 2.69 0.19 5.14 0.00 -1.25 -4.56 107.32 110.16 2or4 s GLY 364 Ca 0.67 0.81 0.10 0.00 0.00 0.00 0.00 44.72 46.30 2or4 s GLY 364 CO 0.45 1.22 1.39 0.00 0.00 0.00 0.00 173.10 176.16 2or4 h ALA 365 N 1.83 0.54 0.00 3.20 0.00 -0.60 -3.36 119.26 120.87 2or4 h ALA 365 Ca -0.49 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2or4 h ALA 365 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2or4 h ALA 365 CO 0.59 1.01 -0.87 0.28 0.00 0.00 0.00 179.25 180.27 2or4 n VAL 366 N -3.41 0.00 -3.41 0.00 0.31 -0.67 -4.86 118.33 106.29 2or4 n VAL 366 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.07 2or4 n VAL 366 Cb 0.83 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2or4 n VAL 366 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2or4 n GLU 367 N -2.60 2.28 0.31 5.55 1.02 -0.05 -4.90 120.64 122.24 2or4 n GLU 367 Ca 0.00 -4.49 0.20 0.00 -0.02 0.00 0.00 57.16 52.86 2or4 n GLU 367 Cb 0.44 -2.13 1.00 0.00 -0.02 0.00 0.00 31.44 30.72 2or4 n GLU 367 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2or4 h PRO 368 N 4.21 0.00 -0.87 3.49 0.13 -1.76 -2.06 132.00 135.14 2or4 h PRO 368 Ca 0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.14 2or4 h PRO 368 Cb 0.69 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.72 2or4 h PRO 368 CO 0.79 0.00 0.22 -0.40 -0.23 0.00 0.00 178.00 178.37 2or4 n ASP 369 N -3.04 3.78 -3.99 1.44 5.75 -1.26 -4.46 116.55 114.77 2or4 n ASP 369 Ca -0.02 -2.83 -0.27 0.00 -0.01 0.00 0.00 54.79 51.67 2or4 n ASP 369 Cb 0.16 -0.67 -0.17 0.00 -1.03 0.00 0.00 41.12 39.41 2or4 n ASP 369 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2or4 s ARG 370 N -2.14 1.87 -0.20 0.11 1.81 -0.78 -4.67 118.95 114.96 2or4 s ARG 370 Ca 0.36 -0.42 -0.05 0.00 -1.72 0.00 0.00 55.73 53.91 2or4 s ARG 370 Cb 0.29 -1.71 -0.02 0.00 -0.45 0.00 0.00 34.95 33.06 2or4 s ARG 370 CO 0.09 -0.14 -0.01 0.71 -0.68 0.00 0.00 175.30 175.26 2or4 s TYR 371 N 1.24 3.02 -0.19 -0.53 2.02 -0.30 -1.10 117.35 121.51 2or4 s TYR 371 Ca -0.03 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2or4 s TYR 371 Cb -0.14 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2or4 s TYR 371 CO -0.04 -0.26 -0.05 0.08 -1.57 0.00 0.00 175.55 173.71 2or4 s VAL 372 N 0.98 3.58 -0.13 0.71 1.01 0.08 -0.52 120.40 126.11 2or4 s VAL 372 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2or4 s VAL 372 Cb -0.14 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2or4 s VAL 372 CO 0.01 0.46 -0.15 -0.63 0.00 0.00 0.00 175.10 174.79 2or4 s ILE 373 N 0.92 2.90 -0.24 2.22 1.01 -0.32 -0.98 121.20 126.71 2or4 s ILE 373 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 2or4 s ILE 373 Cb -0.15 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2or4 s ILE 373 CO 0.01 0.53 -0.06 -0.22 0.00 0.00 0.00 174.94 175.20 2or4 s LEU 374 N 0.36 3.04 0.02 2.97 2.96 0.41 -0.49 118.68 127.95 2or4 s LEU 374 Ca -0.12 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.09 2or4 s LEU 374 Cb -0.16 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2or4 s LEU 374 CO 0.06 -0.09 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.13 2or4 s GLY 375 N 1.37 0.28 0.14 7.98 0.00 -0.40 -1.28 107.32 115.41 2or4 s GLY 375 Ca 0.02 -0.57 -0.25 0.00 0.00 0.00 0.00 44.72 43.93 2or4 s GLY 375 CO -0.05 -0.62 0.78 -0.32 0.00 0.00 0.00 173.10 172.89 2or4 s GLY 376 N -1.32 -0.38 0.57 0.20 0.00 -0.86 -0.06 107.32 105.46 2or4 s GLY 376 Ca -0.13 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 2or4 s GLY 376 CO -0.01 0.12 0.85 -2.38 0.00 0.00 0.00 173.10 171.69 2or4 s HIS 377 N -3.51 3.13 -0.02 1.90 -3.43 -1.26 -0.82 115.29 111.28 2or4 s HIS 377 Ca 0.07 0.42 0.01 0.00 -0.80 0.00 0.00 55.06 54.76 2or4 s HIS 377 Cb -0.02 -2.73 -0.02 0.00 -1.43 0.00 0.00 32.58 28.38 2or4 s HIS 377 CO -0.04 -0.84 -0.00 -2.13 -2.00 0.00 0.00 174.74 169.73 2or4 n ARG 378 N -2.50 2.33 -2.15 -0.38 0.63 0.61 -4.61 116.66 110.59 2or4 n ARG 378 Ca 0.05 0.01 -0.38 0.00 -0.92 0.00 0.00 57.85 56.61 2or4 n ARG 378 Cb 0.58 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 32.44 2or4 n ARG 378 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2or4 s ASP 379 N -3.63 6.01 0.18 6.15 -4.77 -1.25 -4.83 116.67 114.53 2or4 s ASP 379 Ca -0.02 2.42 0.03 0.00 -3.30 0.00 0.00 52.55 51.68 2or4 s ASP 379 Cb 0.01 -2.61 -0.05 0.00 -1.09 0.00 0.00 42.92 39.18 2or4 s ASP 379 CO 0.08 -1.03 -0.02 -0.94 0.70 0.00 0.00 175.17 173.95 2or4 s SER 380 N -1.22 1.48 -0.04 2.11 1.04 -0.52 -4.46 113.70 112.07 2or4 s SER 380 Ca 0.64 -1.15 -0.25 0.00 0.48 0.00 0.00 55.95 55.67 2or4 s SER 380 Cb -0.32 0.06 -0.21 0.00 0.10 0.00 0.00 66.02 65.65 2or4 s SER 380 CO 0.38 -0.51 1.13 -0.50 0.98 0.00 0.00 173.24 174.73 2or4 h TRP 381 N 2.66 0.12 0.00 5.02 4.06 -1.87 -3.21 115.95 122.73 2or4 h TRP 381 Ca -0.37 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2or4 h TRP 381 Cb 1.20 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2or4 h TRP 381 CO 0.57 0.73 0.00 0.28 -3.56 0.00 0.00 178.44 176.45 2or4 n VAL 382 N -4.68 0.00 0.18 1.49 0.31 -1.26 -4.59 118.33 109.77 2or4 n VAL 382 Ca -0.09 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 2or4 n VAL 382 Cb 0.37 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.41 2or4 n VAL 382 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2or4 h PHE 383 N 0.00 0.00 -4.42 3.52 0.04 -1.84 -2.87 116.94 111.36 2or4 h PHE 383 Ca 0.00 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.39 2or4 h PHE 383 Cb 0.00 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.22 2or4 h PHE 383 CO 0.00 0.13 -0.58 0.41 -0.60 0.00 0.00 178.31 177.67 2or4 n GLY 384 N 1.15 -0.44 0.36 -1.45 0.00 -1.23 -4.50 105.19 99.08 2or4 n GLY 384 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2or4 n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2or4 h GLY 385 N -1.52 1.32 0.00 -0.02 0.00 -1.49 -1.59 103.07 99.77 2or4 h GLY 385 Ca -0.50 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.21 2or4 h GLY 385 CO 0.53 0.30 -1.66 1.39 0.00 0.00 0.00 176.54 177.10 2or4 n ILE 386 N -4.49 1.48 -3.52 2.60 5.41 -1.26 -3.71 119.36 115.88 2or4 n ILE 386 Ca 0.14 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.38 2or4 n ILE 386 Cb 0.20 -2.12 -0.10 0.00 -0.71 0.00 0.00 39.64 36.92 2or4 n ILE 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2or4 s ASP 387 N -6.59 5.88 0.00 4.38 2.15 -1.21 -1.77 116.67 119.51 2or4 s ASP 387 Ca -0.32 -1.24 0.15 0.00 0.43 0.00 0.00 52.55 51.57 2or4 s ASP 387 Cb 0.09 -2.08 0.19 0.00 -0.30 0.00 0.00 42.92 40.82 2or4 s ASP 387 CO 0.44 -0.52 1.06 -0.81 -0.17 0.00 0.00 175.17 175.17 2or4 n PRO 388 N 5.06 1.50 0.28 4.34 -0.04 -1.24 -4.27 135.00 140.62 2or4 n PRO 388 Ca -0.11 -1.60 0.16 0.00 -0.04 0.00 0.00 63.50 61.91 2or4 n PRO 388 Cb 0.44 -1.31 0.76 0.00 -0.04 0.00 0.00 33.50 33.36 2or4 n PRO 388 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2or4 h GLN 389 N 2.91 0.00 0.00 0.54 1.08 -1.02 0.16 115.11 118.78 2or4 h GLN 389 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2or4 h GLN 389 Cb 0.67 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2or4 h GLN 389 CO 0.00 0.07 -0.30 0.66 -0.95 0.00 0.00 178.83 178.31 2or4 h SER 390 N 0.00 0.00 0.12 1.46 4.64 -1.43 0.28 113.55 118.62 2or4 h SER 390 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2or4 h SER 390 Cb 0.40 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2or4 h SER 390 CO 0.01 0.30 -0.85 1.23 -0.87 0.00 0.00 176.83 176.65 2or4 h GLY 391 N 0.91 0.30 1.37 -0.77 0.00 -0.84 -3.27 103.07 100.77 2or4 h GLY 391 Ca -0.00 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.58 2or4 h GLY 391 CO 0.04 0.66 0.43 0.00 0.00 0.00 0.00 176.54 177.67 2or4 h ALA 392 N 0.04 1.55 -0.44 3.60 0.00 -1.03 -0.25 119.26 122.73 2or4 h ALA 392 Ca -0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2or4 h ALA 392 Cb 1.60 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2or4 h ALA 392 CO 0.12 0.42 -0.11 0.00 0.00 0.00 0.00 179.25 179.68 2or4 h ALA 393 N 1.60 1.00 -0.20 0.00 0.00 -1.09 -0.31 119.26 120.26 2or4 h ALA 393 Ca 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2or4 h ALA 393 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2or4 h ALA 393 CO -0.05 0.60 0.04 0.28 0.00 0.00 0.00 179.25 180.11 2or4 h VAL 394 N 0.71 1.22 -0.75 0.00 2.07 -1.36 -1.80 116.25 116.33 2or4 h VAL 394 Ca 0.12 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2or4 h VAL 394 Cb 0.58 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2or4 h VAL 394 CO 0.04 0.23 0.48 0.58 0.02 0.00 0.00 177.57 178.91 2or4 h VAL 395 N 0.14 1.11 -0.56 2.57 2.07 -0.79 -0.73 116.25 120.05 2or4 h VAL 395 Ca 0.06 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2or4 h VAL 395 Cb 0.31 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2or4 h VAL 395 CO 0.00 0.17 0.27 -0.74 0.02 0.00 0.00 177.57 177.29 2or4 h HIS 396 N 0.93 0.49 -0.08 1.57 6.17 -0.93 0.68 115.15 123.98 2or4 h HIS 396 Ca 0.30 0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.27 2or4 h HIS 396 Cb 0.02 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 2or4 h HIS 396 CO -0.04 0.21 -0.54 1.49 0.71 0.00 0.00 177.93 179.77 2or4 h GLU 397 N 0.51 0.23 -0.38 5.26 4.57 -0.90 -0.79 114.58 123.09 2or4 h GLU 397 Ca 0.26 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2or4 h GLU 397 Cb 0.20 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2or4 h GLU 397 CO -0.20 0.71 0.03 0.82 -1.18 0.00 0.00 179.01 179.20 2or4 h ILE 398 N 0.18 1.25 -0.46 2.32 2.04 -0.51 -1.08 117.51 121.26 2or4 h ILE 398 Ca 0.00 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 64.99 2or4 h ILE 398 Cb 1.00 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2or4 h ILE 398 CO 0.08 0.31 0.20 0.58 0.00 0.00 0.00 178.15 179.33 2or4 h VAL 399 N 0.49 0.92 -0.48 1.67 2.07 -0.68 -0.31 116.25 119.92 2or4 h VAL 399 Ca 0.11 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2or4 h VAL 399 Cb 0.41 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2or4 h VAL 399 CO 0.01 0.07 0.29 -0.09 0.02 0.00 0.00 177.57 177.87 2or4 h ARG 400 N 0.41 0.55 -0.07 1.57 2.43 -0.81 0.26 114.38 118.72 2or4 h ARG 400 Ca 0.21 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2or4 h ARG 400 Cb 0.15 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2or4 h ARG 400 CO -0.17 0.37 0.03 0.77 -1.51 0.00 0.00 179.97 179.45 2or4 h SER 401 N 0.57 0.10 -0.78 -3.80 0.02 -0.94 -0.57 113.55 108.16 2or4 h SER 401 Ca 0.19 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2or4 h SER 401 Cb 0.02 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2or4 h SER 401 CO -0.09 0.25 0.39 -0.26 -1.14 0.00 0.00 176.83 175.98 2or4 h PHE 402 N -0.05 1.13 -0.55 3.45 0.04 -0.78 -2.05 116.94 118.14 2or4 h PHE 402 Ca 0.02 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2or4 h PHE 402 Cb 0.18 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 2or4 h PHE 402 CO -0.01 0.81 0.21 0.78 -0.60 0.00 0.00 178.31 179.50 2or4 h GLY 403 N 1.16 0.85 1.00 -1.45 0.00 -0.77 -1.14 103.07 102.72 2or4 h GLY 403 Ca 0.27 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2or4 h GLY 403 CO -0.04 0.41 0.30 -0.91 0.00 0.00 0.00 176.54 176.30 2or4 h THR 404 N 0.78 1.22 -0.33 4.70 1.35 -0.39 0.04 112.91 120.28 2or4 h THR 404 Ca 0.19 -0.65 -0.04 0.00 -0.55 0.00 0.00 66.41 65.36 2or4 h THR 404 Cb 0.16 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 2or4 h THR 404 CO -0.02 0.26 0.06 -0.07 -0.25 0.00 0.00 175.52 175.51 2or4 h LEU 405 N 0.90 0.51 -0.96 3.87 4.07 -1.15 -2.89 115.31 119.67 2or4 h LEU 405 Ca 0.22 -0.25 0.05 0.00 0.08 0.00 0.00 57.88 57.98 2or4 h LEU 405 Cb 0.13 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 2or4 h LEU 405 CO -0.03 0.63 0.62 0.50 -1.08 0.00 0.00 178.44 179.08 2or4 h LYS 406 N 0.37 1.12 0.00 1.13 3.64 -0.87 -1.69 116.57 120.27 2or4 h LYS 406 Ca 0.10 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2or4 h LYS 406 Cb 0.33 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2or4 h LYS 406 CO 0.00 0.74 -0.12 0.87 -2.27 0.00 0.00 179.45 178.67 2or4 h LYS 407 N 1.16 0.00 -0.28 1.90 1.57 -0.79 -0.60 116.57 119.53 2or4 h LYS 407 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2or4 h LYS 407 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2or4 h LYS 407 CO -0.15 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 179.24 2or4 n GLU 408 N -3.78 1.71 0.00 3.15 1.02 -0.70 -4.92 120.64 117.12 2or4 n GLU 408 Ca -0.02 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.02 2or4 n GLU 408 Cb 0.23 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2or4 n GLU 408 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2or4 n GLY 409 N 1.02 0.68 3.88 0.62 0.00 -0.23 -5.08 105.19 106.08 2or4 n GLY 409 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2or4 n GLY 409 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2or4 s TRP 410 N -2.00 3.43 0.02 1.61 -0.00 -0.80 -4.99 118.94 116.21 2or4 s TRP 410 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 2or4 s TRP 410 Cb 0.00 -2.25 -0.02 0.00 -0.00 0.00 0.00 33.47 31.21 2or4 s TRP 410 CO 0.00 0.24 -0.03 1.03 -0.00 0.00 0.00 176.95 178.19 2or4 s ARG 411 N -2.96 0.27 0.87 5.86 0.52 -1.26 -3.72 118.95 118.52 2or4 s ARG 411 Ca 0.47 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 55.04 2or4 s ARG 411 Cb -0.11 0.09 0.11 0.00 0.52 0.00 0.00 34.95 35.56 2or4 s ARG 411 CO 0.23 -0.04 1.09 -1.25 0.02 0.00 0.00 175.30 175.35 2or4 s PRO 412 N -1.25 1.47 0.02 3.54 0.04 -1.26 -4.70 135.00 132.87 2or4 s PRO 412 Ca -0.14 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.54 2or4 s PRO 412 Cb -0.09 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 2or4 s PRO 412 CO -0.01 -2.11 1.38 -0.09 0.04 0.00 0.00 177.00 176.21 2or4 h ARG 413 N -1.46 -0.24 -6.30 4.56 2.43 -1.73 0.36 114.38 112.01 2or4 h ARG 413 Ca -0.48 0.02 -0.45 0.00 -0.81 0.00 0.00 59.98 58.26 2or4 h ARG 413 Cb 1.27 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2or4 h ARG 413 CO 0.54 0.05 -0.36 1.03 -1.51 0.00 0.00 179.97 179.72 2or4 s ARG 414 N -4.99 3.08 0.21 0.20 0.52 0.58 -0.87 118.95 117.68 2or4 s ARG 414 Ca -0.15 -1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 2or4 s ARG 414 Cb 0.03 -2.78 -0.08 0.00 0.52 0.00 0.00 34.95 32.64 2or4 s ARG 414 CO 0.61 0.09 1.17 0.99 0.02 0.00 0.00 175.30 178.18 2or4 s THR 415 N -2.18 3.53 -0.15 0.02 2.01 -0.26 -3.90 115.64 114.71 2or4 s THR 415 Ca 0.44 1.36 -0.02 0.00 0.31 0.00 0.00 61.69 63.77 2or4 s THR 415 Cb -0.09 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2or4 s THR 415 CO 0.30 0.25 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 2or4 s ILE 416 N -0.39 3.54 -0.09 1.82 1.01 -0.63 -0.74 121.20 125.72 2or4 s ILE 416 Ca 0.50 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2or4 s ILE 416 Cb -0.33 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2or4 s ILE 416 CO 0.38 0.51 -0.08 -0.76 0.00 0.00 0.00 174.94 174.99 2or4 s LEU 417 N 0.36 3.07 -0.08 2.97 1.43 -0.15 -0.90 118.68 125.38 2or4 s LEU 417 Ca -0.07 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2or4 s LEU 417 Cb -0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2or4 s LEU 417 CO 0.04 0.31 -0.20 -0.36 0.23 0.00 0.00 176.35 176.37 2or4 s PHE 418 N -0.47 2.60 -0.02 0.29 0.08 -0.13 -0.44 117.98 119.88 2or4 s PHE 418 Ca 0.07 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.47 2or4 s PHE 418 Cb -0.12 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2or4 s PHE 418 CO 0.02 -0.19 -0.10 0.00 -0.10 0.00 0.00 175.22 174.85 2or4 s ALA 419 N -0.03 0.88 -0.49 5.36 0.00 -0.41 -0.72 121.76 126.35 2or4 s ALA 419 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2or4 s ALA 419 Cb -0.15 -0.27 0.13 0.00 0.00 0.00 0.00 23.12 22.83 2or4 s ALA 419 CO 0.05 0.18 0.31 0.45 0.00 0.00 0.00 175.76 176.75 2or4 s SER 420 N -0.04 5.34 0.46 0.00 0.15 -0.44 -2.03 113.70 117.13 2or4 s SER 420 Ca 0.01 -2.29 -0.15 0.00 0.70 0.00 0.00 55.95 54.22 2or4 s SER 420 Cb -0.06 -1.87 -0.08 0.00 -1.71 0.00 0.00 66.02 62.30 2or4 s SER 420 CO 0.00 -0.51 0.90 0.26 1.20 0.00 0.00 173.24 175.09 2or4 s TRP 421 N 0.77 3.44 0.28 3.44 0.23 0.00 -1.44 118.94 125.67 2or4 s TRP 421 Ca 0.11 1.33 0.08 0.00 -2.03 0.00 0.00 56.10 55.59 2or4 s TRP 421 Cb -0.22 -2.67 -0.04 0.00 0.03 0.00 0.00 33.47 30.57 2or4 s TRP 421 CO -0.04 -0.23 0.18 0.34 0.96 0.00 0.00 176.95 178.16 2or4 s ASP 422 N -2.95 5.22 -1.27 2.95 -1.08 -1.26 -0.29 116.67 118.00 2or4 s ASP 422 Ca 0.56 -0.43 -0.03 0.00 -0.52 0.00 0.00 52.55 52.14 2or4 s ASP 422 Cb -0.10 -1.14 0.02 0.00 -1.46 0.00 0.00 42.92 40.23 2or4 s ASP 422 CO 0.28 -0.12 0.18 0.00 0.52 0.00 0.00 175.17 176.03 2or4 n ALA 423 N -1.17 -0.84 -0.25 3.66 0.00 -1.26 -1.37 120.51 119.28 2or4 n ALA 423 Ca -0.06 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2or4 n ALA 423 Cb 0.59 -2.17 0.16 0.00 0.00 0.00 0.00 19.45 18.03 2or4 n ALA 423 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2or4 h GLU 424 N -0.38 1.08 0.00 0.00 4.22 -1.89 -2.38 114.58 115.23 2or4 h GLU 424 Ca -0.38 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 58.93 2or4 h GLU 424 Cb 1.27 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2or4 h GLU 424 CO 0.45 0.80 0.00 0.93 -2.18 0.00 0.00 179.01 179.00 2or4 h GLU 425 N 1.08 0.00 -0.62 1.92 4.39 -1.88 -0.78 114.58 118.68 2or4 h GLU 425 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2or4 h GLU 425 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2or4 h GLU 425 CO -0.04 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.00 2or4 n PHE 426 N -2.38 1.42 0.00 4.33 3.72 -1.02 -4.04 117.46 119.49 2or4 n PHE 426 Ca 0.01 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 2or4 n PHE 426 Cb 0.21 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 2or4 n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2or4 n GLY 427 N 1.05 1.48 3.11 1.37 0.00 -0.76 -4.72 105.19 106.71 2or4 n GLY 427 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2or4 n GLY 427 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2or4 n LEU 428 N 0.00 -2.83 -0.04 0.99 4.77 -0.37 -4.61 117.00 114.91 2or4 n LEU 428 Ca 0.00 -0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 55.49 2or4 n LEU 428 Cb 0.00 -2.94 -0.08 0.00 -2.33 0.00 0.00 43.42 38.07 2or4 n LEU 428 CO 0.00 0.32 0.40 -0.07 -1.33 0.00 0.00 177.39 176.71 2or4 h LEU 429 N -1.65 0.63 -0.34 2.23 3.38 -1.64 -1.88 115.31 116.04 2or4 h LEU 429 Ca -0.53 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 56.77 2or4 h LEU 429 Cb 1.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2or4 h LEU 429 CO 0.55 1.14 -0.00 1.23 0.09 0.00 0.00 178.44 181.45 2or4 h GLY 430 N 0.16 0.64 0.95 0.83 0.00 -1.40 -0.95 103.07 103.30 2or4 h GLY 430 Ca -0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2or4 h GLY 430 CO 0.10 0.44 0.13 1.48 0.00 0.00 0.00 176.54 178.69 2or4 h SER 431 N 0.40 0.64 -0.26 0.19 4.64 -1.75 -1.79 113.55 115.62 2or4 h SER 431 Ca 0.10 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 2or4 h SER 431 Cb 0.45 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2or4 h SER 431 CO 0.02 0.68 -0.10 0.74 -0.87 0.00 0.00 176.83 177.30 2or4 h THR 432 N 0.57 1.29 -0.69 2.95 2.02 -1.23 0.48 112.91 118.29 2or4 h THR 432 Ca 0.14 -1.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 2or4 h THR 432 Cb 0.27 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2or4 h THR 432 CO -0.00 0.36 0.13 -0.33 0.37 0.00 0.00 175.52 176.05 2or4 h GLU 433 N 0.26 1.13 -0.69 6.66 4.39 -1.13 0.11 114.58 125.32 2or4 h GLU 433 Ca 0.06 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2or4 h GLU 433 Cb 0.59 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2or4 h GLU 433 CO 0.03 1.02 0.28 2.35 -1.16 0.00 0.00 179.01 181.53 2or4 h TRP 434 N 1.06 1.04 -0.34 4.33 7.01 -1.09 -0.32 115.95 127.65 2or4 h TRP 434 Ca 0.21 -0.08 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 2or4 h TRP 434 Cb 0.42 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2or4 h TRP 434 CO 0.03 0.81 -0.29 0.00 -2.79 0.00 0.00 178.44 176.20 2or4 h ALA 435 N 1.12 0.85 -0.76 2.65 0.00 -0.57 -0.36 119.26 122.19 2or4 h ALA 435 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2or4 h ALA 435 Cb 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2or4 h ALA 435 CO -0.02 0.63 0.49 0.93 0.00 0.00 0.00 179.25 181.29 2or4 h GLU 436 N 0.61 1.01 -0.62 0.00 5.08 -0.38 0.68 114.58 120.96 2or4 h GLU 436 Ca 0.07 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2or4 h GLU 436 Cb 0.80 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2or4 h GLU 436 CO 0.07 0.68 0.10 1.49 -1.00 0.00 0.00 179.01 180.35 2or4 h GLU 437 N 1.04 1.03 -0.48 2.33 4.81 -0.62 -3.26 114.58 119.43 2or4 h GLU 437 Ca 0.28 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2or4 h GLU 437 Cb -0.10 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.16 2or4 h GLU 437 CO -0.06 0.96 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 2or4 n ASN 438 N -4.27 4.48 -0.06 1.04 3.02 -0.19 -4.74 115.26 114.54 2or4 n ASN 438 Ca 0.03 -2.66 0.06 0.00 -0.03 0.00 0.00 54.58 51.98 2or4 n ASN 438 Cb 0.28 -0.55 0.42 0.00 -0.61 0.00 0.00 39.78 39.33 2or4 n ASN 438 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2or4 h SER 439 N 3.12 0.50 -0.47 6.41 4.64 -0.91 -0.82 113.55 126.02 2or4 h SER 439 Ca 0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2or4 h SER 439 Cb 1.47 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2or4 h SER 439 CO 0.25 0.34 -0.24 0.03 -0.87 0.00 0.00 176.83 176.35 2or4 h ARG 440 N 0.58 0.99 -0.60 4.77 3.08 -1.86 -0.09 114.38 121.25 2or4 h ARG 440 Ca 0.21 -0.44 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 2or4 h ARG 440 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2or4 h ARG 440 CO -0.06 1.12 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.88 2or4 h LEU 441 N 0.85 1.05 -0.27 3.04 3.38 -1.58 -2.84 115.31 118.95 2or4 h LEU 441 Ca 0.10 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 2or4 h LEU 441 Cb 0.83 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2or4 h LEU 441 CO 0.07 1.11 -0.37 -0.07 0.09 0.00 0.00 178.44 179.27 2or4 h LEU 442 N 0.97 0.78 -1.13 1.67 3.38 -0.98 -1.01 115.31 119.00 2or4 h LEU 442 Ca 0.17 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 2or4 h LEU 442 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2or4 h LEU 442 CO 0.03 1.14 -0.43 -0.61 0.09 0.00 0.00 178.44 178.66 2or4 h GLN 443 N 0.45 0.01 0.00 1.13 5.75 -1.05 0.30 115.11 121.70 2or4 h GLN 443 Ca 0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2or4 h GLN 443 Cb 0.96 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.51 2or4 h GLN 443 CO 0.09 0.44 -0.96 0.39 -2.65 0.00 0.00 178.83 176.14 2or4 n GLU 444 N -4.02 0.09 0.00 1.69 -0.58 -1.07 -4.52 120.64 112.22 2or4 n GLU 444 Ca -0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2or4 n GLU 444 Cb 0.46 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 2or4 n GLU 444 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2or4 n ARG 445 N -1.62 3.25 -2.55 3.49 1.74 -0.39 -5.04 116.66 115.54 2or4 n ARG 445 Ca 0.03 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.69 2or4 n ARG 445 Cb 0.36 -0.26 -0.02 0.00 -1.02 0.00 0.00 32.46 31.53 2or4 n ARG 445 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2or4 s GLY 446 N -0.49 1.38 -0.11 -0.13 0.00 0.10 -1.15 107.32 106.93 2or4 s GLY 446 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.30 2or4 s GLY 446 CO 0.00 2.44 0.78 -2.08 0.00 0.00 0.00 173.10 174.24 2or4 h VAL 447 N 6.03 1.41 -2.36 1.40 2.07 -1.11 -3.45 116.25 120.23 2or4 h VAL 447 Ca -0.23 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.48 2or4 h VAL 447 Cb 1.07 2.57 -0.16 0.00 -1.52 0.00 0.00 31.29 33.26 2or4 h VAL 447 CO 1.07 0.44 0.37 0.00 0.02 0.00 0.00 177.57 179.47 2or4 s ALA 448 N -2.77 -1.76 -0.09 1.67 0.00 -1.22 -4.06 121.76 113.53 2or4 s ALA 448 Ca -0.16 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.79 2or4 s ALA 448 Cb -0.01 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.47 2or4 s ALA 448 CO 0.58 -0.62 -0.09 -0.47 0.00 0.00 0.00 175.76 175.16 2or4 s TYR 449 N -2.76 1.42 -0.19 0.00 5.04 -0.08 -1.17 117.35 119.60 2or4 s TYR 449 Ca 0.01 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.01 2or4 s TYR 449 Cb -0.01 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.18 2or4 s TYR 449 CO -0.06 -0.39 -0.11 0.42 -1.34 0.00 0.00 175.55 174.08 2or4 s ILE 450 N 1.19 2.89 0.71 3.14 -1.09 0.36 -1.35 121.20 127.06 2or4 s ILE 450 Ca -0.05 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.59 2or4 s ILE 450 Cb -0.14 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.48 2or4 s ILE 450 CO -0.02 0.47 1.08 0.21 -1.23 0.00 0.00 174.94 175.45 2or4 s ASN 451 N 1.27 5.33 -0.43 3.58 2.47 -0.40 -1.27 114.94 125.49 2or4 s ASN 451 Ca 0.03 1.32 0.08 0.00 0.42 0.00 0.00 52.86 54.72 2or4 s ASN 451 Cb -0.14 -2.17 0.34 0.00 -1.45 0.00 0.00 41.25 37.84 2or4 s ASN 451 CO -0.05 -1.44 1.08 0.00 -3.72 0.00 0.00 177.10 172.97 2or4 n ALA 452 N -3.10 0.30 -1.00 1.71 0.00 0.91 -4.67 120.51 114.66 2or4 n ALA 452 Ca 0.07 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.62 2or4 n ALA 452 Cb 0.56 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2or4 n ALA 452 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2or4 n ASP 453 N 0.16 0.00 -4.56 0.00 -0.08 -1.26 -4.08 116.55 106.73 2or4 n ASP 453 Ca 0.08 0.00 -0.60 0.00 -1.51 0.00 0.00 54.79 52.77 2or4 n ASP 453 Cb 0.72 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.10 2or4 n ASP 453 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2or4 n SER 454 N 0.00 0.49 0.16 1.67 7.64 -1.26 -3.78 113.62 118.54 2or4 n SER 454 Ca 0.00 1.16 0.04 0.00 1.01 0.00 0.00 58.87 61.08 2or4 n SER 454 Cb 0.00 -0.96 0.13 0.00 -1.01 0.00 0.00 64.21 62.38 2or4 n SER 454 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2or4 h SER 455 N 3.68 0.00 -3.76 6.43 0.02 -1.81 -3.44 113.55 114.67 2or4 h SER 455 Ca -0.49 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.12 2or4 h SER 455 Cb 1.40 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.64 2or4 h SER 455 CO 0.73 0.45 -0.76 0.27 -1.14 0.00 0.00 176.83 176.39 2or4 s ILE 456 N -3.16 0.39 -0.01 3.27 -4.36 -1.26 -0.50 121.20 115.57 2or4 s ILE 456 Ca 0.03 -0.15 0.02 0.00 -0.26 0.00 0.00 60.65 60.29 2or4 s ILE 456 Cb 0.08 -0.37 0.03 0.00 1.25 0.00 0.00 42.46 43.46 2or4 s ILE 456 CO 0.72 0.14 0.83 -1.84 0.24 0.00 0.00 174.94 175.04 2or4 n GLU 457 N 3.34 1.41 -3.23 0.37 0.28 0.66 -4.93 120.64 118.55 2or4 n GLU 457 Ca -0.17 -1.21 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 2or4 n GLU 457 Cb 0.56 -0.83 0.00 0.00 1.43 0.00 0.00 31.44 32.60 2or4 n GLU 457 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2or4 n GLY 458 N -0.38 -1.48 0.99 -1.84 0.00 -1.24 -4.13 105.19 97.12 2or4 n GLY 458 Ca 0.02 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.02 2or4 n GLY 458 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2or4 n ASN 459 N 0.68 1.12 -0.07 1.61 0.23 -1.20 -4.02 115.26 113.60 2or4 n ASN 459 Ca 0.00 -2.56 -0.05 0.00 -0.53 0.00 0.00 54.58 51.44 2or4 n ASN 459 Cb 0.00 -0.35 -0.02 0.00 -2.08 0.00 0.00 39.78 37.33 2or4 n ASN 459 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2or4 n TYR 460 N -0.15 0.95 -3.77 -2.53 9.36 -0.10 -4.99 117.16 115.93 2or4 n TYR 460 Ca 0.09 0.41 -0.09 0.00 3.32 0.00 0.00 57.90 61.63 2or4 n TYR 460 Cb 0.92 -0.79 0.02 0.00 -0.63 0.00 0.00 39.34 38.85 2or4 n TYR 460 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2or4 n THR 461 N -4.61 0.00 -2.68 2.97 5.66 -0.99 -4.98 114.28 109.64 2or4 n THR 461 Ca -0.08 -1.03 -0.33 0.00 -3.05 0.00 0.00 64.05 59.56 2or4 n THR 461 Cb 0.28 0.91 -0.06 0.00 -1.55 0.00 0.00 70.33 69.92 2or4 n THR 461 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2or4 s LEU 462 N 0.00 3.82 -0.07 1.09 2.96 -1.26 -0.48 118.68 124.73 2or4 s LEU 462 Ca 0.17 1.61 -0.01 0.00 -0.22 0.00 0.00 54.13 55.68 2or4 s LEU 462 Cb -0.04 -4.49 0.03 0.00 0.50 0.00 0.00 46.19 42.18 2or4 s LEU 462 CO 0.12 -0.44 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.09 2or4 s ARG 463 N -3.52 0.86 -0.05 1.98 3.52 0.13 -4.81 118.95 117.06 2or4 s ARG 463 Ca 0.60 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2or4 s ARG 463 Cb -0.09 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 2or4 s ARG 463 CO 0.21 -0.24 -0.14 0.08 -0.81 0.00 0.00 175.30 174.40 2or4 s VAL 464 N 1.65 1.23 -0.08 7.11 1.01 -1.26 -1.61 120.40 128.45 2or4 s VAL 464 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2or4 s VAL 464 Cb -0.13 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.18 2or4 s VAL 464 CO -0.04 0.37 -0.14 -1.81 0.00 0.00 0.00 175.10 173.47 2or4 s ASP 465 N 0.30 2.07 0.09 3.32 1.01 -0.82 -1.72 116.67 120.93 2or4 s ASP 465 Ca -0.08 -0.35 -0.26 0.00 0.71 0.00 0.00 52.55 52.56 2or4 s ASP 465 Cb -0.13 -0.95 0.08 0.00 1.01 0.00 0.00 42.92 42.94 2or4 s ASP 465 CO 0.03 0.04 0.88 0.00 0.21 0.00 0.00 175.17 176.33 2or4 s THR 467 N -3.28 2.05 0.54 0.00 -1.32 -0.58 -4.65 115.64 108.40 2or4 s THR 467 Ca 0.08 0.04 0.34 0.00 -1.21 0.00 0.00 61.69 60.94 2or4 s THR 467 Cb -0.01 -3.02 0.52 0.00 -1.51 0.00 0.00 72.50 68.47 2or4 s THR 467 CO -0.04 0.00 1.84 -0.65 -2.21 0.00 0.00 174.62 173.56 2or4 h PRO 468 N 1.55 0.00 -0.01 7.08 0.11 -1.93 -0.64 132.00 138.16 2or4 h PRO 468 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2or4 h PRO 468 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2or4 h PRO 468 CO 0.58 0.00 0.02 -0.07 -0.21 0.00 0.00 178.00 178.32 2or4 h LEU 469 N 0.00 0.00 -1.77 2.35 3.38 -1.90 -2.18 115.31 115.18 2or4 h LEU 469 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2or4 h LEU 469 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2or4 h LEU 469 CO -0.01 0.00 -0.06 0.23 0.09 0.00 0.00 178.44 178.70 2or4 n MET 470 N -3.55 2.05 -0.07 1.13 2.81 -0.25 -2.64 117.12 116.60 2or4 n MET 470 Ca -0.03 -1.75 -0.07 0.00 -1.81 0.00 0.00 57.70 54.05 2or4 n MET 470 Cb 0.10 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.17 2or4 n MET 470 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 2or4 h TYR 471 N 4.20 -0.54 -0.53 2.03 0.05 -1.45 -0.68 116.97 120.05 2or4 h TYR 471 Ca 0.00 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 2or4 h TYR 471 Cb 0.92 0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 2or4 h TYR 471 CO 0.00 -0.29 0.16 1.03 -1.05 0.00 0.00 178.16 178.02 2or4 h SER 472 N -0.18 0.77 -0.36 3.88 0.87 -1.81 -0.22 113.55 116.49 2or4 h SER 472 Ca 0.16 -0.21 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 2or4 h SER 472 Cb 0.43 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 2or4 h SER 472 CO -0.41 0.78 -0.08 0.25 -0.53 0.00 0.00 176.83 176.84 2or4 h LEU 473 N 0.73 -0.32 -0.36 2.23 5.85 -1.69 0.85 115.31 122.60 2or4 h LEU 473 Ca 0.17 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2or4 h LEU 473 Cb 0.28 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2or4 h LEU 473 CO -0.00 -0.11 0.04 0.58 -0.34 0.00 0.00 178.44 178.60 2or4 h VAL 474 N 0.01 1.25 -0.03 1.05 2.07 -0.67 0.05 116.25 119.97 2or4 h VAL 474 Ca 0.17 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2or4 h VAL 474 Cb 0.26 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2or4 h VAL 474 CO -0.37 0.30 0.02 0.45 0.02 0.00 0.00 177.57 177.99 2or4 h HIS 475 N 0.43 0.04 -0.62 1.57 3.86 -0.82 -0.78 115.15 118.83 2or4 h HIS 475 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2or4 h HIS 475 Cb 0.40 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 2or4 h HIS 475 CO 0.03 0.03 0.34 -0.91 0.86 0.00 0.00 177.93 178.28 2or4 h ASN 476 N 0.04 0.78 -0.21 2.45 4.21 -0.65 -2.26 115.58 119.94 2or4 h ASN 476 Ca 0.01 -0.10 -0.10 0.00 1.21 0.00 0.00 56.30 57.32 2or4 h ASN 476 Cb 0.00 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.00 2or4 h ASN 476 CO -0.00 0.66 -0.27 0.25 -1.29 0.00 0.00 177.43 176.77 2or4 h LEU 477 N 0.85 0.61 -1.76 1.61 5.85 -0.75 -2.92 115.31 118.81 2or4 h LEU 477 Ca 0.22 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2or4 h LEU 477 Cb 0.05 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2or4 h LEU 477 CO -0.03 0.99 -0.17 0.71 -0.34 0.00 0.00 178.44 179.60 2or4 h THR 478 N 0.24 0.82 0.00 1.05 1.35 -1.06 -0.82 112.91 114.50 2or4 h THR 478 Ca 0.03 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2or4 h THR 478 Cb 0.84 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2or4 h THR 478 CO 0.06 0.16 -0.03 0.11 -0.25 0.00 0.00 175.52 175.58 2or4 h LYS 479 N 0.00 0.00 -0.01 4.72 1.57 -1.21 -0.93 116.57 120.72 2or4 h LYS 479 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2or4 h LYS 479 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2or4 h LYS 479 CO 0.02 0.03 -0.67 0.39 -0.57 0.00 0.00 179.45 178.65 2or4 n GLU 480 N -3.18 0.49 -4.11 3.15 1.02 -0.33 -4.83 120.64 112.84 2or4 n GLU 480 Ca -0.01 -0.38 -0.31 0.00 -0.02 0.00 0.00 57.16 56.44 2or4 n GLU 480 Cb 0.21 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 2or4 n GLU 480 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2or4 s LEU 481 N -2.77 3.74 0.29 -4.62 1.43 -1.12 -5.03 118.68 110.60 2or4 s LEU 481 Ca 0.14 0.01 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 2or4 s LEU 481 Cb 0.17 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 2or4 s LEU 481 CO 0.71 0.22 0.99 -0.54 0.23 0.00 0.00 176.35 177.95 2or4 s LYS 482 N -2.07 4.66 0.21 1.70 1.02 -1.26 -0.34 119.74 123.65 2or4 s LYS 482 Ca 0.26 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.47 2or4 s LYS 482 Cb -0.12 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 34.06 2or4 s LYS 482 CO 0.18 0.31 1.13 0.45 -0.92 0.00 0.00 175.35 176.49 2or4 s SER 483 N -1.27 7.22 0.00 2.83 0.15 -0.32 -4.30 113.70 118.00 2or4 s SER 483 Ca 0.46 2.18 0.28 0.00 0.70 0.00 0.00 55.95 59.57 2or4 s SER 483 Cb -0.25 -2.61 1.04 0.00 -1.71 0.00 0.00 66.02 62.49 2or4 s SER 483 CO 0.31 -0.24 1.74 -0.81 1.20 0.00 0.00 173.24 175.44 2or4 n PRO 484 N 2.06 1.24 -2.66 5.44 -0.04 -1.26 -4.73 135.00 135.05 2or4 n PRO 484 Ca 0.02 -0.66 -0.36 0.00 -0.04 0.00 0.00 63.50 62.46 2or4 n PRO 484 Cb 0.45 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2or4 n PRO 484 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2or4 s ASP 485 N -2.22 6.98 0.14 3.54 1.11 -1.26 -4.98 116.67 119.98 2or4 s ASP 485 Ca 0.33 1.93 -0.31 0.00 0.18 0.00 0.00 52.55 54.68 2or4 s ASP 485 Cb 0.20 -2.58 -0.10 0.00 1.07 0.00 0.00 42.92 41.52 2or4 s ASP 485 CO 0.41 -0.33 1.71 -1.61 1.18 0.00 0.00 175.17 176.53 2or4 s GLU 486 N -2.43 4.17 0.00 8.23 0.41 -1.26 -2.33 118.70 125.49 2or4 s GLU 486 Ca 0.56 2.48 0.00 0.00 -0.41 0.00 0.00 54.97 57.60 2or4 s GLU 486 Cb -0.19 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 2or4 s GLU 486 CO 0.25 -0.75 0.00 0.41 -0.49 0.00 0.00 175.26 174.68 2or4 n GLY 487 N 4.02 0.76 0.46 -1.39 0.00 -1.26 -4.87 105.19 102.91 2or4 n GLY 487 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2or4 n GLY 487 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2or4 n PHE 488 N -2.00 0.00 -2.02 1.61 3.72 -0.98 -5.02 117.46 112.77 2or4 n PHE 488 Ca 0.00 -1.31 -0.41 0.00 -0.05 0.00 0.00 57.45 55.68 2or4 n PHE 488 Cb 0.00 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 2or4 n PHE 488 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2or4 s GLU 489 N -3.02 4.28 0.00 -1.08 1.03 -1.25 -0.96 118.70 117.70 2or4 s GLU 489 Ca 0.36 2.32 0.00 0.00 0.03 0.00 0.00 54.97 57.68 2or4 s GLU 489 Cb 0.34 -3.05 0.00 0.00 -0.80 0.00 0.00 34.13 30.62 2or4 s GLU 489 CO -0.04 -0.31 0.00 0.41 -1.33 0.00 0.00 175.26 173.99 2or4 n GLY 490 N 0.93 0.65 3.94 -3.83 0.00 -1.26 -5.01 105.19 100.61 2or4 n GLY 490 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2or4 n GLY 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2or4 s LYS 491 N -0.38 3.50 0.65 1.61 -0.14 -0.13 -5.00 119.74 119.85 2or4 s LYS 491 Ca 0.00 -0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 54.13 2or4 s LYS 491 Cb 0.00 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 2or4 s LYS 491 CO 0.00 0.28 1.05 -1.54 -0.76 0.00 0.00 175.35 174.37 2or4 s SER 492 N -3.66 5.76 0.29 2.83 1.04 -1.26 -1.17 113.70 117.52 2or4 s SER 492 Ca 0.39 1.58 -0.02 0.00 0.48 0.00 0.00 55.95 58.38 2or4 s SER 492 Cb -0.10 -2.49 0.41 0.00 0.10 0.00 0.00 66.02 63.93 2or4 s SER 492 CO 0.32 -1.19 1.89 0.25 0.98 0.00 0.00 173.24 175.50 2or4 h LEU 493 N -0.36 0.88 -0.73 2.42 5.85 -0.55 -1.72 115.31 121.10 2or4 h LEU 493 Ca -0.44 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.24 2or4 h LEU 493 Cb 1.20 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2or4 h LEU 493 CO 0.59 0.74 0.43 0.22 -0.34 0.00 0.00 178.44 180.08 2or4 h TYR 494 N 0.98 0.80 -0.29 1.25 3.20 -1.41 0.32 116.97 121.80 2or4 h TYR 494 Ca 0.24 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2or4 h TYR 494 Cb 0.09 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2or4 h TYR 494 CO 0.01 0.40 0.10 1.49 -1.64 0.00 0.00 178.16 178.51 2or4 h GLU 495 N 0.80 0.46 -0.33 1.82 4.81 -1.62 -1.11 114.58 119.40 2or4 h GLU 495 Ca 0.32 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 2or4 h GLU 495 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2or4 h GLU 495 CO -0.17 0.50 -0.22 0.66 -0.73 0.00 0.00 179.01 179.05 2or4 h SER 496 N 0.32 0.77 -0.31 1.04 4.64 -1.12 -2.37 113.55 116.52 2or4 h SER 496 Ca 0.10 -0.43 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2or4 h SER 496 Cb 0.23 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2or4 h SER 496 CO -0.00 1.03 0.17 -0.25 -0.87 0.00 0.00 176.83 176.91 2or4 h TRP 497 N 0.51 0.33 -0.42 4.77 7.01 -0.96 -1.26 115.95 125.93 2or4 h TRP 497 Ca 0.07 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.99 2or4 h TRP 497 Cb 0.77 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 2or4 h TRP 497 CO 0.06 0.19 -0.12 1.15 -2.79 0.00 0.00 178.44 176.94 2or4 h THR 498 N 0.36 1.26 -0.32 2.65 2.02 -1.17 0.72 112.91 118.43 2or4 h THR 498 Ca 0.12 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 2or4 h THR 498 Cb 0.01 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2or4 h THR 498 CO -0.07 0.40 0.06 0.50 0.37 0.00 0.00 175.52 176.78 2or4 h LYS 499 N 0.68 0.52 0.00 6.66 3.64 -1.28 -2.97 116.57 123.83 2or4 h LYS 499 Ca 0.12 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2or4 h LYS 499 Cb 0.59 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2or4 h LYS 499 CO 0.04 0.61 -0.49 0.87 -2.27 0.00 0.00 179.45 178.21 2or4 h LYS 500 N 0.35 0.00 -2.01 1.90 1.57 -0.95 -3.38 116.57 114.05 2or4 h LYS 500 Ca 0.10 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.35 2or4 h LYS 500 Cb 0.33 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.25 2or4 h LYS 500 CO 0.00 0.38 -1.12 0.45 -0.57 0.00 0.00 179.45 178.59 2or4 n SER 501 N -3.16 0.72 -4.77 0.86 2.88 0.22 -5.06 113.62 105.31 2or4 n SER 501 Ca 0.01 -2.90 -0.40 0.00 -1.33 0.00 0.00 58.87 54.26 2or4 n SER 501 Cb 0.70 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2or4 n SER 501 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2or4 s PRO 502 N -1.89 3.89 0.27 -1.46 0.04 -1.12 -0.23 135.00 134.50 2or4 s PRO 502 Ca 0.38 2.35 -0.31 0.00 0.04 0.00 0.00 61.00 63.47 2or4 s PRO 502 Cb 0.26 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.91 2or4 s PRO 502 CO -0.09 -0.63 1.56 0.45 0.04 0.00 0.00 177.00 178.33 2or4 n SER 503 N 0.08 3.59 0.20 6.66 2.88 0.19 -4.15 113.62 123.08 2or4 n SER 503 Ca 0.04 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.75 2or4 n SER 503 Cb 0.42 -1.55 0.45 0.00 -0.75 0.00 0.00 64.21 62.78 2or4 n SER 503 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2or4 h PRO 504 N 4.89 0.03 0.09 -1.46 0.13 -1.92 -3.31 132.00 130.44 2or4 h PRO 504 Ca -0.46 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2or4 h PRO 504 Cb 1.24 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2or4 h PRO 504 CO 0.80 0.25 -0.75 0.93 -0.23 0.00 0.00 178.00 179.01 2or4 h GLU 505 N 0.03 0.18 -5.09 0.86 3.07 -1.95 -3.48 114.58 108.20 2or4 h GLU 505 Ca 0.00 -0.31 -0.62 0.00 -0.50 0.00 0.00 59.36 57.93 2or4 h GLU 505 Cb 0.42 0.12 -0.33 0.00 -0.84 0.00 0.00 28.75 28.11 2or4 h GLU 505 CO 0.03 1.15 -0.86 -0.06 -1.40 0.00 0.00 179.01 177.87 2or4 s PHE 506 N -2.38 2.18 0.38 4.33 0.40 -1.25 -5.10 117.98 116.54 2or4 s PHE 506 Ca -0.18 -0.86 -0.28 0.00 -0.60 0.00 0.00 56.93 55.01 2or4 s PHE 506 Cb 0.01 -1.48 -0.11 0.00 0.51 0.00 0.00 43.02 41.95 2or4 s PHE 506 CO 0.76 -0.36 1.45 -1.12 0.70 0.00 0.00 175.22 176.65 2or4 s SER 507 N 0.43 6.36 0.00 1.36 0.01 -1.26 -2.58 113.70 118.01 2or4 s SER 507 Ca -0.17 2.99 0.00 0.00 1.31 0.00 0.00 55.95 60.08 2or4 s SER 507 Cb -0.17 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2or4 s SER 507 CO 0.07 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2or4 n GLY 508 N 0.51 0.51 3.54 3.44 0.00 -1.26 -5.01 105.19 106.92 2or4 n GLY 508 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2or4 n GLY 508 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2or4 s MET 509 N -0.42 2.42 0.55 1.61 1.00 -1.07 -5.03 119.30 118.37 2or4 s MET 509 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 55.69 54.80 2or4 s MET 509 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 34.83 32.38 2or4 s MET 509 CO 0.00 0.59 0.95 -1.25 0.00 0.00 0.00 175.02 175.31 2or4 s PRO 510 N -1.29 3.67 0.19 2.03 0.04 -1.26 0.53 135.00 138.92 2or4 s PRO 510 Ca 0.15 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2or4 s PRO 510 Cb -0.11 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 2or4 s PRO 510 CO 0.05 -0.39 1.23 0.50 0.04 0.00 0.00 177.00 178.43 2or4 s ARG 511 N -4.75 4.46 -0.07 4.56 3.52 0.68 -4.19 118.95 123.16 2or4 s ARG 511 Ca 0.54 1.93 0.01 0.00 -0.13 0.00 0.00 55.73 58.08 2or4 s ARG 511 Cb -0.11 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2or4 s ARG 511 CO 0.46 -0.13 -0.07 0.42 -0.81 0.00 0.00 175.30 175.16 2or4 s ILE 512 N -0.05 0.82 0.50 4.11 1.01 -1.26 -4.56 121.20 121.77 2or4 s ILE 512 Ca 0.54 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.95 2or4 s ILE 512 Cb -0.34 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.34 2or4 s ILE 512 CO 0.37 0.30 0.72 -0.44 0.00 0.00 0.00 174.94 175.89 2or4 s SER 513 N 1.05 5.50 0.52 3.58 0.01 -0.70 -4.92 113.70 118.74 2or4 s SER 513 Ca -0.08 0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.09 2or4 s SER 513 Cb -0.14 -1.06 -0.06 0.00 0.21 0.00 0.00 66.02 64.96 2or4 s SER 513 CO -0.00 -0.96 0.94 -0.54 0.41 0.00 0.00 173.24 173.09 2or4 s LYS 514 N -4.65 3.77 -0.20 12.44 1.02 -1.26 -2.13 119.74 128.74 2or4 s LYS 514 Ca 0.54 0.72 -0.15 0.00 0.02 0.00 0.00 55.97 57.10 2or4 s LYS 514 Cb -0.10 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 2or4 s LYS 514 CO 0.38 -0.31 0.37 -0.51 -0.92 0.00 0.00 175.35 174.36 2or4 s LEU 515 N -4.42 4.16 0.00 3.17 1.43 -1.26 -4.27 118.68 117.49 2or4 s LEU 515 Ca 0.55 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 2or4 s LEU 515 Cb -0.10 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2or4 s LEU 515 CO 0.39 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.54 2or4 n GLY 516 N 3.90 0.92 0.00 -3.19 0.00 -1.26 -4.47 105.19 101.09 2or4 n GLY 516 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2or4 n GLY 516 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2or4 n SER 517 N 0.00 0.05 0.00 1.61 2.88 0.08 -4.48 113.62 113.76 2or4 n SER 517 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2or4 n SER 517 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2or4 n SER 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2or4 n GLY 518 N 1.17 0.76 3.81 0.46 0.00 -1.26 -4.43 105.19 105.71 2or4 n GLY 518 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2or4 n GLY 518 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2or4 s ASN 519 N -2.44 -0.08 0.00 1.61 3.84 -1.26 -5.06 114.94 111.54 2or4 s ASN 519 Ca 0.00 -0.57 0.13 0.00 0.21 0.00 0.00 52.86 52.63 2or4 s ASN 519 Cb 0.00 0.51 0.56 0.00 -0.55 0.00 0.00 41.25 41.77 2or4 s ASN 519 CO 0.00 -0.98 1.39 0.47 -2.79 0.00 0.00 177.10 175.19 2or4 n ASP 520 N -0.86 0.00 0.14 -4.21 8.00 -1.26 -1.71 116.55 116.65 2or4 n ASP 520 Ca -0.05 0.43 0.13 0.00 0.71 0.00 0.00 54.79 56.01 2or4 n ASP 520 Cb 0.60 -0.46 0.50 0.00 -0.02 0.00 0.00 41.12 41.73 2or4 n ASP 520 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2or4 h PHE 521 N 0.00 0.00 -0.32 1.24 -5.15 -1.97 -3.36 116.94 107.38 2or4 h PHE 521 Ca 0.00 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.84 2or4 h PHE 521 Cb 0.20 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.31 2or4 h PHE 521 CO 0.00 0.00 -0.11 1.49 -2.00 0.00 0.00 178.31 177.69 2or4 h GLU 522 N 0.00 -0.05 -0.67 6.09 4.81 -1.64 -1.14 114.58 121.98 2or4 h GLU 522 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2or4 h GLU 522 Cb 0.43 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2or4 h GLU 522 CO 0.00 -0.03 0.12 -0.24 -0.73 0.00 0.00 179.01 178.13 2or4 h VAL 523 N -0.05 1.26 -0.74 0.32 3.04 -1.85 0.20 116.25 118.43 2or4 h VAL 523 Ca 0.16 -1.02 -0.04 0.00 -1.01 0.00 0.00 66.70 64.79 2or4 h VAL 523 Cb 0.29 0.62 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 2or4 h VAL 523 CO -0.35 0.39 0.32 -0.26 -1.01 0.00 0.00 177.57 176.65 2or4 h PHE 524 N 1.03 1.11 0.00 3.17 0.04 -1.66 -1.46 116.94 119.17 2or4 h PHE 524 Ca 0.21 -0.07 -0.17 0.00 2.80 0.00 0.00 57.97 60.73 2or4 h PHE 524 Cb 0.43 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 2or4 h PHE 524 CO 0.03 0.84 -1.03 0.35 -0.60 0.00 0.00 178.31 177.90 2or4 h PHE 525 N 1.06 0.00 0.02 -0.55 3.57 -0.95 0.12 116.94 120.21 2or4 h PHE 525 Ca 0.25 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.52 2or4 h PHE 525 Cb 0.18 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2or4 h PHE 525 CO 0.01 1.16 -1.13 1.96 -2.23 0.00 0.00 178.31 178.09 2or4 h GLN 526 N -1.00 0.05 0.00 1.11 1.08 -0.75 -2.22 115.11 113.38 2or4 h GLN 526 Ca -0.26 -0.08 -0.27 0.00 -1.45 0.00 0.00 58.65 56.59 2or4 h GLN 526 Cb 1.12 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.54 2or4 h GLN 526 CO -0.16 0.98 -1.48 -2.13 -0.95 0.00 0.00 178.83 175.09 2or4 n ARG 527 N -3.35 0.57 0.03 1.46 0.63 -0.93 -0.18 116.66 114.89 2or4 n ARG 527 Ca -0.04 0.52 0.11 0.00 -0.92 0.00 0.00 57.85 57.53 2or4 n ARG 527 Cb 0.97 -1.71 -0.08 0.00 0.45 0.00 0.00 32.46 32.09 2or4 n ARG 527 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2or4 n LEU 528 N -4.39 0.41 -1.19 6.15 4.77 -0.59 -4.66 117.00 117.49 2or4 n LEU 528 Ca -0.36 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.60 2or4 n LEU 528 Cb 0.72 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.79 2or4 n LEU 528 CO 0.17 -0.02 0.05 0.61 -1.33 0.00 0.00 177.39 176.86 2or4 n GLY 529 N 1.28 0.52 3.69 -0.72 0.00 -0.72 -4.81 105.19 104.42 2or4 n GLY 529 Ca -0.01 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2or4 n GLY 529 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2or4 s ILE 530 N -2.97 5.33 -0.03 -0.61 1.01 0.33 -2.04 121.20 122.22 2or4 s ILE 530 Ca 0.13 0.34 -0.37 0.00 0.00 0.00 0.00 60.65 60.74 2or4 s ILE 530 Cb -0.06 -3.56 -0.16 0.00 0.01 0.00 0.00 42.46 38.70 2or4 s ILE 530 CO 0.16 0.35 1.54 0.00 0.00 0.00 0.00 174.94 176.99 2or4 n ALA 531 N 4.07 -0.31 -2.38 9.38 0.00 -1.26 -4.14 120.51 125.87 2or4 n ALA 531 Ca -0.13 0.45 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 2or4 n ALA 531 Cb 0.52 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 2or4 n ALA 531 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2or4 s SER 532 N 1.77 1.74 0.21 0.00 0.01 -1.26 -0.90 113.70 115.28 2or4 s SER 532 Ca 0.89 -0.90 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 2or4 s SER 532 Cb -0.94 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 65.29 2or4 s SER 532 CO 0.52 -0.26 0.53 -0.83 0.41 0.00 0.00 173.24 173.60 2or4 s GLY 533 N -2.77 0.06 0.03 3.44 0.00 -0.45 -1.53 107.32 106.10 2or4 s GLY 533 Ca 0.11 -0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 2or4 s GLY 533 CO 0.01 -0.34 0.37 1.09 0.00 0.00 0.00 173.10 174.23 2or4 s ARG 534 N -3.91 0.85 -0.09 2.90 1.70 -0.12 -1.28 118.95 119.00 2or4 s ARG 534 Ca 0.12 -0.36 -0.17 0.00 -0.47 0.00 0.00 55.73 54.86 2or4 s ARG 534 Cb -0.01 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2or4 s ARG 534 CO 0.01 -0.28 0.41 0.00 -1.08 0.00 0.00 175.30 174.36 2or4 s ALA 535 N -2.26 -1.04 0.24 7.88 0.00 -1.26 -1.94 121.76 123.39 2or4 s ALA 535 Ca -0.07 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 2or4 s ALA 535 Cb -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2or4 s ALA 535 CO -0.01 -0.24 0.68 -0.98 0.00 0.00 0.00 175.76 175.20 2or4 s ARG 536 N -0.50 1.63 0.13 0.00 1.70 -0.63 -4.92 118.95 116.36 2or4 s ARG 536 Ca -0.06 -0.85 -0.15 0.00 -0.47 0.00 0.00 55.73 54.20 2or4 s ARG 536 Cb -0.03 0.60 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 2or4 s ARG 536 CO 0.03 -0.74 0.55 0.71 -1.08 0.00 0.00 175.30 174.77 2or4 s TYR 537 N -3.87 3.64 0.24 5.89 1.51 0.34 0.20 117.35 125.31 2or4 s TYR 537 Ca 0.08 1.10 0.01 0.00 -1.01 0.00 0.00 57.07 57.25 2or4 s TYR 537 Cb -0.04 -2.39 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 2or4 s TYR 537 CO 0.01 0.46 0.12 -0.08 -1.11 0.00 0.00 175.55 174.95 2or4 s THR 538 N -1.40 0.32 0.70 -0.71 -1.32 0.36 -0.24 115.64 113.35 2or4 s THR 538 Ca 0.36 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.77 2or4 s THR 538 Cb -0.16 -2.57 0.06 0.00 -1.51 0.00 0.00 72.50 68.32 2or4 s THR 538 CO 0.19 0.00 1.01 -1.59 -2.21 0.00 0.00 174.62 172.02 2or4 s LYS 539 N -4.04 2.23 -1.46 7.08 0.00 -1.26 -0.93 119.74 121.36 2or4 s LYS 539 Ca 0.38 -0.25 -0.11 0.00 0.00 0.00 0.00 55.97 55.99 2or4 s LYS 539 Cb 0.07 -2.18 0.03 0.00 0.00 0.00 0.00 37.83 35.76 2or4 s LYS 539 CO 0.14 -1.21 2.41 -1.71 0.00 0.00 0.00 175.35 174.97 2or4 n ASN 540 N -2.90 6.05 -0.09 0.03 2.85 -1.26 -4.78 115.26 115.16 2or4 n ASN 540 Ca 0.08 -2.84 -0.01 0.00 -0.11 0.00 0.00 54.58 51.69 2or4 n ASN 540 Cb 0.60 -1.56 -0.01 0.00 1.24 0.00 0.00 39.78 40.06 2or4 n ASN 540 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2or4 n ASN 544 N 4.42 -3.28 -0.26 1.20 4.13 -1.26 -5.17 115.26 115.04 2or4 n ASN 544 Ca 0.59 0.03 0.02 0.00 1.68 0.00 0.00 54.58 56.90 2or4 n ASN 544 Cb 0.32 -0.89 0.10 0.00 -1.54 0.00 0.00 39.78 37.77 2or4 n ASN 544 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2or4 h LYS 545 N 0.40 0.01 -0.34 3.52 3.64 -1.96 -0.39 116.57 121.44 2or4 h LYS 545 Ca -0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2or4 h LYS 545 Cb 0.12 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2or4 h LYS 545 CO 0.04 0.01 0.00 1.19 -2.27 0.00 0.00 179.45 178.41 2or4 n PHE 546 N -5.48 0.44 0.02 1.91 3.01 -1.26 -4.46 117.46 111.64 2or4 n PHE 546 Ca 0.11 -0.22 -0.02 0.00 1.01 0.00 0.00 57.45 58.33 2or4 n PHE 546 Cb 0.40 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.77 2or4 n PHE 546 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2or4 h SER 547 N 3.79 0.00 -4.58 4.37 4.64 -1.37 -3.39 113.55 117.02 2or4 h SER 547 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2or4 h SER 547 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2or4 h SER 547 CO 0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2or4 n GLY 548 N 1.43 0.16 3.73 -0.77 0.00 -1.23 -4.72 105.19 103.79 2or4 n GLY 548 Ca -0.11 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 2or4 n GLY 548 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2or4 s TYR 549 N -2.95 2.20 0.31 1.61 -0.85 -1.26 -4.95 117.35 111.46 2or4 s TYR 549 Ca 0.00 1.63 0.03 0.00 -0.52 0.00 0.00 57.07 58.21 2or4 s TYR 549 Cb 0.00 -3.25 0.61 0.00 0.38 0.00 0.00 41.96 39.70 2or4 s TYR 549 CO 0.00 -2.25 1.87 -1.35 -1.52 0.00 0.00 175.55 172.30 2or4 h PRO 550 N -0.91 0.90 -0.45 -3.49 0.11 -1.82 -2.36 132.00 123.98 2or4 h PRO 550 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2or4 h PRO 550 Cb 1.26 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2or4 h PRO 550 CO 0.49 0.60 0.00 1.28 -0.21 0.00 0.00 178.00 180.15 2or4 n LEU 551 N -4.56 2.38 -4.68 2.35 4.77 -1.26 -4.55 117.00 111.45 2or4 n LEU 551 Ca 0.17 -1.19 -0.57 0.00 -0.03 0.00 0.00 56.01 54.39 2or4 n LEU 551 Cb 0.33 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2or4 n LEU 551 CO 0.30 0.59 1.21 0.00 -1.33 0.00 0.00 177.39 178.15 2or4 n TYR 552 N 0.78 1.88 -1.68 -1.77 9.36 -0.89 -1.93 117.16 122.91 2or4 n TYR 552 Ca 0.15 0.62 -0.16 0.00 3.32 0.00 0.00 57.90 61.83 2or4 n TYR 552 Cb 0.38 -2.41 -0.05 0.00 -0.63 0.00 0.00 39.34 36.63 2or4 n TYR 552 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2or4 n HIS 553 N 4.59 -0.20 -4.14 2.98 8.25 -1.26 -4.52 115.22 120.91 2or4 n HIS 553 Ca 0.25 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.48 2or4 n HIS 553 Cb 0.13 -2.87 -0.05 0.00 1.12 0.00 0.00 29.99 28.32 2or4 n HIS 553 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2or4 s SER 554 N -2.69 5.30 0.66 0.41 0.15 -0.81 -2.05 113.70 114.67 2or4 s SER 554 Ca 0.00 -0.30 0.33 0.00 0.70 0.00 0.00 55.95 56.68 2or4 s SER 554 Cb 0.00 -1.29 1.79 0.00 -1.71 0.00 0.00 66.02 64.81 2or4 s SER 554 CO 0.00 0.00 2.01 1.62 1.20 0.00 0.00 173.24 178.08 2or4 h VAL 555 N 1.76 0.02 -0.00 4.45 3.04 -1.87 -2.56 116.25 121.10 2or4 h VAL 555 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2or4 h VAL 555 Cb 1.23 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2or4 h VAL 555 CO 0.61 0.00 -0.08 -1.22 -1.01 0.00 0.00 177.57 175.87 2or4 n TYR 556 N -2.97 0.00 -2.56 3.17 4.01 -1.26 -4.57 117.16 112.98 2or4 n TYR 556 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2or4 n TYR 556 Cb 0.33 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 2or4 n TYR 556 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2or4 s GLU 557 N -2.57 3.65 0.41 -0.72 2.12 -0.97 -4.67 118.70 115.97 2or4 s GLU 557 Ca 0.27 -1.28 0.05 0.00 0.36 0.00 0.00 54.97 54.37 2or4 s GLU 557 Cb 0.20 -5.39 -0.06 0.00 0.26 0.00 0.00 34.13 29.14 2or4 s GLU 557 CO 0.48 -2.24 0.02 0.95 -0.54 0.00 0.00 175.26 173.94 2or4 s THR 558 N 4.91 1.61 0.25 -1.70 -4.23 -1.26 -1.44 115.64 113.78 2or4 s THR 558 Ca 0.48 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 2or4 s THR 558 Cb 0.01 -2.76 0.23 0.00 1.34 0.00 0.00 72.50 71.32 2or4 s THR 558 CO -0.06 0.00 1.82 0.22 -0.54 0.00 0.00 174.62 176.06 2or4 h TYR 559 N 1.75 0.94 -0.40 3.99 3.20 -1.86 -2.36 116.97 122.23 2or4 h TYR 559 Ca -0.43 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.40 2or4 h TYR 559 Cb 1.26 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2or4 h TYR 559 CO 0.90 0.39 -0.04 0.93 -1.64 0.00 0.00 178.16 178.70 2or4 h GLU 560 N 0.86 0.65 -0.50 1.82 3.07 -1.95 -0.74 114.58 117.79 2or4 h GLU 560 Ca 0.42 -0.17 0.08 0.00 -0.50 0.00 0.00 59.36 59.19 2or4 h GLU 560 Cb 0.37 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.14 2or4 h GLU 560 CO -0.25 0.70 0.13 1.25 -1.40 0.00 0.00 179.01 179.45 2or4 h LEU 561 N 0.61 0.07 0.11 1.33 5.85 -1.70 -0.24 115.31 121.35 2or4 h LEU 561 Ca 0.12 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2or4 h LEU 561 Cb 0.45 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2or4 h LEU 561 CO 0.02 0.07 -0.05 0.58 -0.34 0.00 0.00 178.44 178.72 2or4 h VAL 562 N 0.28 1.10 -0.47 1.05 2.07 -1.11 -1.79 116.25 117.39 2or4 h VAL 562 Ca 0.25 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 2or4 h VAL 562 Cb 0.31 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2or4 h VAL 562 CO -0.30 0.21 0.09 -0.08 0.02 0.00 0.00 177.57 177.52 2or4 h GLU 563 N -0.57 0.72 0.13 1.57 4.22 -1.13 0.29 114.58 119.80 2or4 h GLU 563 Ca -0.01 -0.14 -0.29 0.00 0.08 0.00 0.00 59.36 58.99 2or4 h GLU 563 Cb 0.46 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2or4 h GLU 563 CO 0.02 0.67 -1.45 0.87 -2.18 0.00 0.00 179.01 176.94 2or4 h LYS 564 N 0.69 0.28 0.00 1.92 1.57 -1.12 -3.26 116.57 116.65 2or4 h LYS 564 Ca 0.15 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2or4 h LYS 564 Cb 0.29 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2or4 h LYS 564 CO 0.00 1.23 -1.01 1.19 -0.57 0.00 0.00 179.45 180.29 2or4 n PHE 565 N -3.86 0.00 -0.13 -1.35 3.72 -0.69 -4.79 117.46 110.36 2or4 n PHE 565 Ca -0.24 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.88 2or4 n PHE 565 Cb 0.93 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 39.34 2or4 n PHE 565 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2or4 n TYR 566 N -1.53 0.00 -2.86 1.38 4.02 -0.52 -4.96 117.16 112.69 2or4 n TYR 566 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2or4 n TYR 566 Cb 0.06 -0.91 0.04 0.00 -0.02 0.00 0.00 39.34 38.51 2or4 n TYR 566 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2or4 n ASP 567 N -4.14 -1.81 0.14 7.72 2.03 -0.02 -4.78 116.55 115.69 2or4 n ASP 567 Ca -0.50 -3.34 0.10 0.00 0.52 0.00 0.00 54.79 51.56 2or4 n ASP 567 Cb 0.85 1.24 0.60 0.00 -0.72 0.00 0.00 41.12 43.08 2or4 n ASP 567 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2or4 h PRO 568 N 3.49 0.14 -0.01 -0.67 0.13 -1.71 0.09 132.00 133.46 2or4 h PRO 568 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2or4 h PRO 568 Cb 1.03 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2or4 h PRO 568 CO 0.29 0.09 -0.29 -1.33 -0.23 0.00 0.00 178.00 176.53 2or4 n MET 569 N -4.50 0.75 -2.30 0.86 2.81 -1.26 -4.94 117.12 108.54 2or4 n MET 569 Ca 0.01 -0.44 -0.19 0.00 -1.81 0.00 0.00 57.70 55.27 2or4 n MET 569 Cb 0.19 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 2or4 n MET 569 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2or4 n PHE 570 N -0.74 -0.97 0.07 2.03 3.72 0.02 -4.83 117.46 116.75 2or4 n PHE 570 Ca 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.44 2or4 n PHE 570 Cb 0.35 -3.63 -0.10 0.00 -0.94 0.00 0.00 39.48 35.15 2or4 n PHE 570 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2or4 h LYS 571 N 0.00 0.04 -0.07 -1.08 2.10 -1.92 -1.46 116.57 114.18 2or4 h LYS 571 Ca -0.44 -0.06 -0.19 0.00 -2.00 0.00 0.00 60.65 57.96 2or4 h LYS 571 Cb 1.32 0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.68 2or4 h LYS 571 CO 0.53 1.00 -0.69 1.88 -2.00 0.00 0.00 179.45 180.18 2or4 h TYR 572 N 0.01 0.83 -0.46 0.07 0.05 -1.92 -1.51 116.97 114.04 2or4 h TYR 572 Ca -0.03 -0.40 0.08 0.00 0.05 0.00 0.00 58.73 58.43 2or4 h TYR 572 Cb 1.75 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 39.31 2or4 h TYR 572 CO 0.01 1.21 0.09 0.45 -1.05 0.00 0.00 178.16 178.88 2or4 h HIS 573 N 0.22 0.15 -0.73 4.88 3.86 -1.90 0.16 115.15 121.80 2or4 h HIS 573 Ca -0.07 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2or4 h HIS 573 Cb 1.35 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.79 2or4 h HIS 573 CO 0.11 0.00 0.43 1.25 0.86 0.00 0.00 177.93 180.59 2or4 h LEU 574 N 0.23 0.88 -0.39 2.43 5.85 -1.14 0.07 115.31 123.23 2or4 h LEU 574 Ca 0.23 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2or4 h LEU 574 Cb 0.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2or4 h LEU 574 CO -0.30 0.69 0.25 0.74 -0.34 0.00 0.00 178.44 179.48 2or4 h THR 575 N 0.99 1.11 -0.54 1.05 2.02 -0.77 -0.25 112.91 116.52 2or4 h THR 575 Ca 0.26 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 2or4 h THR 575 Cb -0.03 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2or4 h THR 575 CO -0.05 0.11 0.11 0.58 0.37 0.00 0.00 175.52 176.65 2or4 h VAL 576 N 0.53 1.23 -0.89 3.16 2.07 -0.55 -1.01 116.25 120.80 2or4 h VAL 576 Ca 0.14 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2or4 h VAL 576 Cb -0.03 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2or4 h VAL 576 CO -0.03 0.32 0.52 0.00 0.02 0.00 0.00 177.57 178.39 2or4 h ALA 577 N 1.32 1.24 -0.48 1.67 0.00 -0.21 0.17 119.26 122.96 2or4 h ALA 577 Ca 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2or4 h ALA 577 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2or4 h ALA 577 CO 0.00 0.64 0.08 1.96 0.00 0.00 0.00 179.25 181.93 2or4 h GLN 578 N 1.23 0.79 0.48 0.00 4.20 -0.38 0.90 115.11 122.32 2or4 h GLN 578 Ca 0.32 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2or4 h GLN 578 Cb -0.02 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2or4 h GLN 578 CO -0.06 0.80 -0.23 0.28 -0.67 0.00 0.00 178.83 178.95 2or4 h VAL 579 N 0.66 0.35 -0.10 -0.54 2.07 -0.81 0.97 116.25 118.86 2or4 h VAL 579 Ca 0.15 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2or4 h VAL 579 Cb 0.39 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2or4 h VAL 579 CO 0.01 0.06 0.06 0.03 0.02 0.00 0.00 177.57 177.75 2or4 h ARG 580 N -0.99 0.13 -0.59 1.57 3.08 -1.02 -0.12 114.38 116.44 2or4 h ARG 580 Ca -0.07 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2or4 h ARG 580 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2or4 h ARG 580 CO 0.11 0.08 0.09 0.78 -1.07 0.00 0.00 179.97 179.96 2or4 h GLY 581 N 0.13 1.05 0.94 0.04 0.00 -0.91 -2.11 103.07 102.21 2or4 h GLY 581 Ca 0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 2or4 h GLY 581 CO -0.01 0.65 0.16 -1.33 0.00 0.00 0.00 176.54 176.01 2or4 h GLY 582 N 0.87 0.54 0.77 4.60 0.00 -0.67 0.32 103.07 109.50 2or4 h GLY 582 Ca 0.18 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2or4 h GLY 582 CO 0.01 0.26 0.10 -0.33 0.00 0.00 0.00 176.54 176.59 2or4 h MET 583 N 0.42 0.22 -0.31 4.80 2.07 -0.85 -0.62 114.93 120.66 2or4 h MET 583 Ca 0.12 -0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.74 2or4 h MET 583 Cb 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2or4 h MET 583 CO -0.01 0.15 0.19 0.28 1.07 0.00 0.00 176.91 178.58 2or4 h VAL 584 N 0.23 1.05 -0.15 -2.22 2.07 -1.05 0.18 116.25 116.36 2or4 h VAL 584 Ca 0.13 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2or4 h VAL 584 Cb 0.09 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2or4 h VAL 584 CO -0.13 0.07 -0.26 0.15 0.02 0.00 0.00 177.57 177.42 2or4 h PHE 585 N 0.39 -0.71 -0.25 1.57 3.57 -0.00 0.04 116.94 121.54 2or4 h PHE 585 Ca 0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2or4 h PHE 585 Cb -0.02 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2or4 h PHE 585 CO -0.07 -0.35 0.06 0.93 -2.23 0.00 0.00 178.31 176.66 2or4 h GLU 586 N -0.32 0.40 -0.93 1.11 4.39 -0.87 -0.54 114.58 117.81 2or4 h GLU 586 Ca 0.11 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.78 2or4 h GLU 586 Cb 0.48 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 2or4 h GLU 586 CO -0.33 0.50 0.61 -0.07 -1.16 0.00 0.00 179.01 178.55 2or4 h LEU 587 N 0.24 0.93 0.00 1.33 3.38 -0.75 -0.09 115.31 120.34 2or4 h LEU 587 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2or4 h LEU 587 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2or4 h LEU 587 CO 0.00 0.58 -0.51 0.00 0.09 0.00 0.00 178.44 178.60 2or4 n ALA 588 N -2.39 2.82 0.00 1.53 0.00 -0.02 -4.51 120.51 117.95 2or4 n ALA 588 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2or4 n ALA 588 Cb 0.22 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2or4 n ALA 588 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2or4 n ASN 589 N -2.13 4.22 -4.75 0.00 3.02 -0.24 -0.30 115.26 115.08 2or4 n ASN 589 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2or4 n ASN 589 Cb 0.44 0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 40.23 2or4 n ASN 589 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2or4 n SER 590 N -1.52 3.68 0.02 6.41 2.88 -0.08 -4.72 113.62 120.29 2or4 n SER 590 Ca 0.00 1.19 -0.13 0.00 -1.33 0.00 0.00 58.87 58.61 2or4 n SER 590 Cb 0.22 -1.59 -0.09 0.00 -0.75 0.00 0.00 64.21 62.00 2or4 n SER 590 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2or4 h ILE 591 N 3.06 1.18 -3.23 2.46 1.08 -1.96 -3.39 117.51 116.70 2or4 h ILE 591 Ca -0.49 -0.64 -0.59 0.00 -0.39 0.00 0.00 64.86 62.75 2or4 h ILE 591 Cb 1.24 1.61 -0.08 0.00 -3.07 0.00 0.00 36.82 36.52 2or4 h ILE 591 CO 0.70 0.16 -0.19 -0.69 -0.69 0.00 0.00 178.15 177.44 2or4 s VAL 592 N -5.07 5.16 0.33 1.67 1.01 -1.26 -5.01 120.40 117.21 2or4 s VAL 592 Ca -0.15 0.84 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 2or4 s VAL 592 Cb 0.03 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 2or4 s VAL 592 CO 0.66 0.42 1.31 0.18 0.00 0.00 0.00 175.10 177.66 2or4 n LEU 593 N 3.09 3.48 -3.12 3.92 4.77 -1.26 -4.82 117.00 123.06 2or4 n LEU 593 Ca -0.10 1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 56.73 2or4 n LEU 593 Cb 0.52 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.09 2or4 n LEU 593 CO 0.41 -0.49 2.68 -0.81 -1.33 0.00 0.00 177.39 177.85 2or4 n PRO 594 N 0.79 3.66 -5.05 3.23 -0.04 -1.26 -4.86 135.00 131.47 2or4 n PRO 594 Ca 0.06 -2.48 -0.32 0.00 -0.04 0.00 0.00 63.50 60.72 2or4 n PRO 594 Cb 0.35 -2.58 -0.15 0.00 -0.04 0.00 0.00 33.50 31.09 2or4 n PRO 594 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2or4 s PHE 595 N 0.55 2.58 -0.37 0.54 0.08 -1.26 -4.36 117.98 115.74 2or4 s PHE 595 Ca 0.63 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.31 2or4 s PHE 595 Cb 0.22 -1.61 0.10 0.00 -0.57 0.00 0.00 43.02 41.15 2or4 s PHE 595 CO -0.08 0.02 0.11 0.34 -0.10 0.00 0.00 175.22 175.52 2or4 s ASP 596 N -0.49 5.01 0.60 1.36 -1.08 -1.08 -4.98 116.67 116.00 2or4 s ASP 596 Ca 0.06 -1.97 0.30 0.00 -0.52 0.00 0.00 52.55 50.41 2or4 s ASP 596 Cb -0.12 -1.73 1.67 0.00 -1.46 0.00 0.00 42.92 41.29 2or4 s ASP 596 CO 0.01 -0.44 2.08 0.00 0.52 0.00 0.00 175.17 177.34 2or4 h ARG 598 N 0.00 0.00 -0.23 0.00 3.08 -1.94 -1.53 114.38 113.77 2or4 h ARG 598 Ca 0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2or4 h ARG 598 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2or4 h ARG 598 CO -0.00 0.18 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.37 2or4 h ASP 599 N 0.00 0.45 -0.58 7.04 3.32 -1.64 -2.03 116.42 122.97 2or4 h ASP 599 Ca -0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 2or4 h ASP 599 Cb 0.34 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2or4 h ASP 599 CO 0.02 0.71 0.12 0.22 -1.72 0.00 0.00 179.24 178.59 2or4 h TYR 600 N 0.39 1.00 -0.95 4.55 5.03 -1.38 -2.69 116.97 122.92 2or4 h TYR 600 Ca 0.06 -0.13 0.06 0.00 2.58 0.00 0.00 58.73 61.29 2or4 h TYR 600 Cb 0.68 -0.28 -0.06 0.00 1.55 0.00 0.00 36.73 38.62 2or4 h TYR 600 CO 0.02 0.86 0.61 0.00 -1.32 0.00 0.00 178.16 178.33 2or4 h ALA 601 N 1.02 1.30 -0.01 1.82 0.00 -0.98 -0.44 119.26 121.97 2or4 h ALA 601 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2or4 h ALA 601 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2or4 h ALA 601 CO 0.01 0.42 -0.03 0.28 0.00 0.00 0.00 179.25 179.93 2or4 h VAL 602 N 1.13 0.93 -0.01 0.00 2.07 -1.35 -2.52 116.25 116.50 2or4 h VAL 602 Ca 0.40 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.78 2or4 h VAL 602 Cb 0.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2or4 h VAL 602 CO -0.16 0.00 -0.67 -0.37 0.02 0.00 0.00 177.57 176.39 2or4 h VAL 603 N -0.04 1.47 -0.91 2.57 -1.51 -1.11 -2.71 116.25 114.01 2or4 h VAL 603 Ca 0.02 -2.27 0.02 0.00 -1.23 0.00 0.00 66.70 63.23 2or4 h VAL 603 Cb 0.06 2.22 -0.05 0.00 -2.13 0.00 0.00 31.29 31.40 2or4 h VAL 603 CO -0.04 0.65 0.60 -0.07 -1.23 0.00 0.00 177.57 177.49 2or4 h LEU 604 N 0.03 1.03 -0.56 4.19 3.38 -0.89 0.75 115.31 123.24 2or4 h LEU 604 Ca -0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2or4 h LEU 604 Cb 1.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2or4 h LEU 604 CO 0.09 0.73 0.12 -0.09 0.09 0.00 0.00 178.44 179.38 2or4 h ARG 605 N 1.20 0.90 -0.49 1.13 9.65 -1.15 -0.28 114.38 125.35 2or4 h ARG 605 Ca 0.34 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 2or4 h ARG 605 Cb -0.09 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 2or4 h ARG 605 CO -0.08 0.85 0.29 -0.22 2.80 0.00 0.00 179.97 183.61 2or4 h LYS 606 N 0.80 0.56 -0.62 0.20 3.64 -1.07 -0.78 116.57 119.30 2or4 h LYS 606 Ca 0.17 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2or4 h LYS 606 Cb 0.37 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2or4 h LYS 606 CO 0.01 0.37 0.10 1.88 -2.27 0.00 0.00 179.45 179.54 2or4 h TYR 607 N 0.58 1.05 -0.29 1.91 0.05 -0.69 -1.15 116.97 118.43 2or4 h TYR 607 Ca 0.19 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 2or4 h TYR 607 Cb 0.02 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 2or4 h TYR 607 CO -0.07 0.89 0.04 0.00 -1.05 0.00 0.00 178.16 177.97 2or4 h ALA 608 N 1.16 0.39 -0.88 3.88 0.00 -0.76 -0.18 119.26 122.86 2or4 h ALA 608 Ca 0.19 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2or4 h ALA 608 Cb 0.41 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2or4 h ALA 608 CO 0.01 0.08 0.52 -0.44 0.00 0.00 0.00 179.25 179.43 2or4 h ASP 609 N 0.30 0.75 -0.16 0.00 3.32 -0.95 -0.66 116.42 119.02 2or4 h ASP 609 Ca 0.09 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2or4 h ASP 609 Cb 0.35 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2or4 h ASP 609 CO 0.01 0.41 -0.07 0.50 -1.72 0.00 0.00 179.24 178.37 2or4 h LYS 610 N 0.85 0.33 -0.31 3.56 3.64 -0.87 -0.91 116.57 122.85 2or4 h LYS 610 Ca 0.43 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 2or4 h LYS 610 Cb 0.42 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2or4 h LYS 610 CO -0.26 0.64 -0.35 0.97 -2.27 0.00 0.00 179.45 178.18 2or4 h ILE 611 N 0.00 1.28 -0.69 2.00 6.09 -0.84 -1.57 117.51 123.79 2or4 h ILE 611 Ca 0.04 -1.50 0.05 0.00 -1.37 0.00 0.00 64.86 62.08 2or4 h ILE 611 Cb 0.54 1.42 -0.05 0.00 0.47 0.00 0.00 36.82 39.19 2or4 h ILE 611 CO 0.02 0.49 0.40 0.22 -3.07 0.00 0.00 178.15 176.21 2or4 h TYR 612 N 0.59 0.75 -0.59 2.19 3.20 -1.05 -1.69 116.97 120.37 2or4 h TYR 612 Ca 0.06 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2or4 h TYR 612 Cb 0.87 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2or4 h TYR 612 CO 0.04 0.38 0.09 0.66 -1.64 0.00 0.00 178.16 177.70 2or4 h SER 613 N 0.76 0.90 -0.69 -2.11 4.64 -0.75 -0.04 113.55 116.26 2or4 h SER 613 Ca 0.30 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2or4 h SER 613 Cb 0.13 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 2or4 h SER 613 CO -0.16 0.91 0.45 0.40 -0.87 0.00 0.00 176.83 177.56 2or4 h ILE 614 N 0.89 1.14 -0.67 0.95 2.04 -0.94 -2.99 117.51 117.93 2or4 h ILE 614 Ca 0.18 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2or4 h ILE 614 Cb 0.40 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2or4 h ILE 614 CO 0.01 0.16 0.10 -1.28 0.00 0.00 0.00 178.15 177.14 2or4 h SER 615 N 0.89 1.08 0.04 1.72 0.87 -0.47 -2.84 113.55 114.84 2or4 h SER 615 Ca 0.26 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2or4 h SER 615 Cb -0.05 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.62 2or4 h SER 615 CO -0.08 1.07 0.00 0.23 -0.53 0.00 0.00 176.83 177.52 2or4 n MET 616 N -4.21 0.42 0.07 2.24 2.81 -0.11 -0.92 117.12 117.43 2or4 n MET 616 Ca 0.04 0.02 0.08 0.00 -1.81 0.00 0.00 57.70 56.04 2or4 n MET 616 Cb 0.30 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.68 2or4 n MET 616 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2or4 n LYS 617 N -1.05 0.09 -2.96 0.03 5.02 -1.07 -3.91 118.16 114.32 2or4 n LYS 617 Ca 0.10 0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 56.58 2or4 n LYS 617 Cb 0.06 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 2or4 n LYS 617 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2or4 n HIS 618 N -1.90 2.57 -0.35 2.13 8.25 -0.10 -4.95 115.22 120.89 2or4 n HIS 618 Ca 0.02 -3.78 0.01 0.00 -0.26 0.00 0.00 57.72 53.70 2or4 n HIS 618 Cb 0.14 -0.42 0.14 0.00 1.12 0.00 0.00 29.99 30.98 2or4 n HIS 618 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2or4 h PRO 619 N 2.95 1.12 -0.58 -0.41 0.13 -1.77 -1.88 132.00 131.56 2or4 h PRO 619 Ca 0.12 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2or4 h PRO 619 Cb 0.74 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 2or4 h PRO 619 CO 0.70 0.74 0.33 0.37 -0.23 0.00 0.00 178.00 179.91 2or4 h GLN 620 N 1.15 0.63 -0.41 0.86 5.75 -1.95 -1.03 115.11 120.12 2or4 h GLN 620 Ca 0.39 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.73 2or4 h GLN 620 Cb 0.07 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2or4 h GLN 620 CO -0.14 0.42 -0.24 0.93 -2.65 0.00 0.00 178.83 177.15 2or4 h GLU 621 N 0.65 0.83 -0.40 1.69 3.07 -1.87 -0.69 114.58 117.87 2or4 h GLU 621 Ca 0.24 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 2or4 h GLU 621 Cb 0.07 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2or4 h GLU 621 CO -0.12 0.98 0.14 0.52 -1.40 0.00 0.00 179.01 179.13 2or4 h MET 622 N 0.72 0.57 -0.01 2.33 2.86 -0.80 -0.09 114.93 120.51 2or4 h MET 622 Ca 0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2or4 h MET 622 Cb 0.77 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 2or4 h MET 622 CO 0.06 0.49 -0.01 0.87 1.06 0.00 0.00 176.91 179.39 2or4 h LYS 623 N 0.56 0.02 -0.48 1.72 1.57 -0.79 -0.95 116.57 118.23 2or4 h LYS 623 Ca 0.14 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2or4 h LYS 623 Cb 0.15 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2or4 h LYS 623 CO -0.01 0.44 0.26 1.15 -0.57 0.00 0.00 179.45 180.72 2or4 h THR 624 N -0.40 1.00 -0.64 -0.16 2.02 -0.90 -2.93 112.91 110.91 2or4 h THR 624 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2or4 h THR 624 Cb 0.43 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2or4 h THR 624 CO 0.00 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.77 2or4 n TYR 625 N -4.86 0.85 -3.65 3.16 4.01 -0.07 -4.96 117.16 111.64 2or4 n TYR 625 Ca 0.03 -0.48 -0.21 0.00 -0.16 0.00 0.00 57.90 57.08 2or4 n TYR 625 Cb 0.10 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.16 2or4 n TYR 625 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2or4 n SER 626 N 1.44 -1.85 -4.49 7.72 7.64 -0.60 -4.91 113.62 118.57 2or4 n SER 626 Ca 0.22 -0.81 -0.43 0.00 1.01 0.00 0.00 58.87 58.85 2or4 n SER 626 Cb 0.59 -4.15 -0.05 0.00 -1.01 0.00 0.00 64.21 59.59 2or4 n SER 626 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2or4 s VAL 627 N -3.62 4.51 -0.10 0.44 1.01 -0.46 -5.03 120.40 117.16 2or4 s VAL 627 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2or4 s VAL 627 Cb -0.02 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2or4 s VAL 627 CO 0.81 -1.07 -0.10 -0.55 0.00 0.00 0.00 175.10 174.18 2or4 s SER 628 N 2.89 4.29 0.00 3.32 0.15 -1.26 -4.89 113.70 118.19 2or4 s SER 628 Ca 0.25 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.88 2or4 s SER 628 Cb -0.15 -1.34 0.49 0.00 -1.71 0.00 0.00 66.02 63.31 2or4 s SER 628 CO 0.16 0.26 1.40 0.49 1.20 0.00 0.00 173.24 176.75 2or4 n PHE 629 N 2.92 0.57 -0.34 3.44 3.72 -1.26 -4.57 117.46 121.95 2or4 n PHE 629 Ca -0.18 -0.29 0.09 0.00 -0.05 0.00 0.00 57.45 57.03 2or4 n PHE 629 Cb 0.53 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.35 2or4 n PHE 629 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2or4 h ASP 630 N 2.99 0.84 -0.68 4.37 3.32 -2.00 -1.28 116.42 123.98 2or4 h ASP 630 Ca 0.00 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2or4 h ASP 630 Cb 0.68 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2or4 h ASP 630 CO 0.00 0.43 0.20 0.77 -1.72 0.00 0.00 179.24 178.92 2or4 h SER 631 N 0.90 1.00 -0.23 6.45 4.64 -1.96 -0.01 113.55 124.34 2or4 h SER 631 Ca 0.49 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 2or4 h SER 631 Cb 0.58 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2or4 h SER 631 CO -0.26 0.95 -0.03 0.25 -0.87 0.00 0.00 176.83 176.87 2or4 h LEU 632 N 1.00 0.42 -1.09 5.97 5.85 -1.55 -1.22 115.31 124.68 2or4 h LEU 632 Ca 0.22 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2or4 h LEU 632 Cb 0.32 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2or4 h LEU 632 CO -0.00 0.66 0.15 -0.26 -0.34 0.00 0.00 178.44 178.65 2or4 h PHE 633 N 0.17 0.81 -0.41 1.25 0.04 -1.25 -0.98 116.94 116.57 2or4 h PHE 633 Ca 0.06 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.82 2or4 h PHE 633 Cb 0.46 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 2or4 h PHE 633 CO 0.04 0.67 0.13 1.03 -0.60 0.00 0.00 178.31 179.58 2or4 h SER 634 N 0.78 0.11 -0.80 2.17 0.87 -0.87 0.35 113.55 116.16 2or4 h SER 634 Ca 0.18 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 2or4 h SER 634 Cb 0.25 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 2or4 h SER 634 CO -0.01 0.10 0.35 0.00 -0.53 0.00 0.00 176.83 176.74 2or4 h ALA 635 N 1.28 1.10 -0.31 6.23 0.00 -0.88 -0.13 119.26 126.55 2or4 h ALA 635 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2or4 h ALA 635 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2or4 h ALA 635 CO -0.21 0.66 0.07 0.28 0.00 0.00 0.00 179.25 180.04 2or4 h VAL 636 N 1.16 1.22 -0.48 0.00 2.07 -0.81 0.32 116.25 119.73 2or4 h VAL 636 Ca 0.27 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2or4 h VAL 636 Cb 0.17 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2or4 h VAL 636 CO -0.03 0.25 0.23 0.50 0.02 0.00 0.00 177.57 178.54 2or4 h LYS 637 N 0.34 0.45 -0.47 1.57 3.64 -0.68 -1.05 116.57 120.36 2or4 h LYS 637 Ca 0.10 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2or4 h LYS 637 Cb 0.30 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2or4 h LYS 637 CO 0.00 0.30 0.31 -0.91 -2.27 0.00 0.00 179.45 176.87 2or4 h ASN 638 N 0.46 0.52 -0.75 4.20 2.35 -0.78 -0.90 115.58 120.69 2or4 h ASN 638 Ca 0.21 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 2or4 h ASN 638 Cb 0.13 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2or4 h ASN 638 CO -0.16 0.37 0.45 0.15 -1.65 0.00 0.00 177.43 176.60 2or4 h PHE 639 N 0.62 0.83 -0.16 1.19 3.57 -0.58 0.13 116.94 122.54 2or4 h PHE 639 Ca 0.18 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2or4 h PHE 639 Cb -0.05 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2or4 h PHE 639 CO -0.05 0.43 -0.00 1.15 -2.23 0.00 0.00 178.31 177.61 2or4 h THR 640 N 0.84 1.26 -0.15 4.41 2.02 -0.69 0.97 112.91 121.58 2or4 h THR 640 Ca 0.32 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2or4 h THR 640 Cb 0.13 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2or4 h THR 640 CO -0.16 0.26 0.10 -0.33 0.37 0.00 0.00 175.52 175.75 2or4 h GLU 641 N 0.03 0.19 -0.48 6.66 5.08 -0.88 -1.20 114.58 123.97 2or4 h GLU 641 Ca 0.05 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2or4 h GLU 641 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2or4 h GLU 641 CO 0.01 0.13 -0.17 0.82 -1.00 0.00 0.00 179.01 178.79 2or4 h ILE 642 N 0.19 1.27 -0.53 3.13 2.04 -0.63 -2.00 117.51 120.99 2or4 h ILE 642 Ca 0.05 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.51 2or4 h ILE 642 Cb -0.02 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2or4 h ILE 642 CO -0.01 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 178.58 2or4 h ALA 643 N 0.97 0.99 -0.28 1.87 0.00 -0.75 0.31 119.26 122.38 2or4 h ALA 643 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2or4 h ALA 643 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2or4 h ALA 643 CO 0.06 0.62 0.17 1.03 0.00 0.00 0.00 179.25 181.12 2or4 h SER 644 N 0.83 0.33 -0.60 0.00 0.87 -0.88 -0.96 113.55 113.14 2or4 h SER 644 Ca 0.15 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2or4 h SER 644 Cb 0.51 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2or4 h SER 644 CO 0.03 0.28 0.10 0.11 -0.53 0.00 0.00 176.83 176.82 2or4 h LYS 645 N 0.35 1.02 -0.85 2.24 1.57 -1.17 -1.98 116.57 117.75 2or4 h LYS 645 Ca 0.10 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2or4 h LYS 645 Cb 0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2or4 h LYS 645 CO -0.02 0.94 0.48 0.35 -0.57 0.00 0.00 179.45 180.63 2or4 h PHE 646 N 0.96 1.15 -0.68 -1.35 3.57 -0.67 -1.40 116.94 118.52 2or4 h PHE 646 Ca 0.19 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2or4 h PHE 646 Cb 0.41 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2or4 h PHE 646 CO 0.03 0.79 0.22 1.03 -2.23 0.00 0.00 178.31 178.15 2or4 h SER 647 N 1.18 0.98 -0.04 0.41 0.87 -0.93 0.46 113.55 116.48 2or4 h SER 647 Ca 0.30 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2or4 h SER 647 Cb 0.00 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 2or4 h SER 647 CO -0.05 0.93 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.68 2or4 h GLU 648 N 0.99 -0.24 -0.65 2.24 5.08 -1.00 -1.13 114.58 119.87 2or4 h GLU 648 Ca 0.22 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2or4 h GLU 648 Cb 0.29 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2or4 h GLU 648 CO -0.01 -0.16 0.43 0.00 -1.00 0.00 0.00 179.01 178.27 2or4 h ARG 649 N -0.25 0.69 -0.26 2.33 3.08 -0.72 0.32 114.38 119.57 2or4 h ARG 649 Ca 0.06 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2or4 h ARG 649 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2or4 h ARG 649 CO -0.18 0.46 -0.24 1.25 -1.07 0.00 0.00 179.97 180.18 2or4 h LEU 650 N 0.71 0.49 0.14 3.04 5.85 -0.36 0.46 115.31 125.64 2or4 h LEU 650 Ca 0.27 -0.16 -0.30 0.00 0.84 0.00 0.00 57.88 58.53 2or4 h LEU 650 Cb 0.17 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.09 2or4 h LEU 650 CO -0.08 0.73 -1.29 1.56 -0.34 0.00 0.00 178.44 179.02 2or4 h GLN 651 N 0.43 0.45 -0.01 1.25 4.20 -0.28 -3.38 115.11 117.78 2or4 h GLN 651 Ca 0.06 -0.70 0.00 0.00 0.06 0.00 0.00 58.65 58.08 2or4 h GLN 651 Cb 0.66 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2or4 h GLN 651 CO 0.05 1.32 -0.63 -0.25 -0.67 0.00 0.00 178.83 178.64 2or4 n ASP 652 N -3.67 1.25 -3.18 1.46 10.43 0.10 -4.95 116.55 117.99 2or4 n ASP 652 Ca -0.12 -1.02 -0.20 0.00 2.57 0.00 0.00 54.79 56.02 2or4 n ASP 652 Cb 1.02 0.57 0.17 0.00 1.84 0.00 0.00 41.12 44.73 2or4 n ASP 652 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 2or4 n PHE 653 N -0.89 -3.51 0.00 1.24 1.16 0.16 -5.00 117.46 110.61 2or4 n PHE 653 Ca 0.07 -0.63 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 2or4 n PHE 653 Cb 0.38 -0.76 0.00 0.00 -1.61 0.00 0.00 39.48 37.49 2or4 n PHE 653 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2or4 n ASP 654 N -4.33 0.00 0.00 5.98 4.64 -1.26 -5.03 116.55 116.54 2or4 n ASP 654 Ca 0.10 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.51 2or4 n ASP 654 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.47 2or4 n ASP 654 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2or4 n LYS 655 N 0.00 0.00 -0.96 -0.67 5.02 -1.26 -5.03 118.16 115.25 2or4 n LYS 655 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2or4 n LYS 655 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.31 2or4 n LYS 655 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2or4 n SER 656 N -1.88 4.76 -4.40 4.39 7.64 -1.26 -4.82 113.62 118.05 2or4 n SER 656 Ca 0.00 -3.12 -0.44 0.00 1.01 0.00 0.00 58.87 56.32 2or4 n SER 656 Cb 0.00 -0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 62.42 2or4 n SER 656 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2or4 s ASN 657 N -0.89 6.19 0.26 6.43 3.84 -1.26 -4.97 114.94 124.53 2or4 s ASN 657 Ca 0.52 -1.29 -0.02 0.00 0.21 0.00 0.00 52.86 52.28 2or4 s ASN 657 Cb 0.41 -2.33 0.52 0.00 -0.55 0.00 0.00 41.25 39.31 2or4 s ASN 657 CO 0.13 -1.17 1.71 -0.65 -2.79 0.00 0.00 177.10 174.33 2or4 h PRO 658 N 9.25 0.39 -0.26 0.43 0.11 -1.99 -1.08 132.00 138.84 2or4 h PRO 658 Ca -0.29 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.61 2or4 h PRO 658 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2or4 h PRO 658 CO 1.11 0.26 -0.58 0.82 -0.21 0.00 0.00 178.00 179.40 2or4 h ILE 659 N 0.40 1.28 -0.72 4.15 1.08 -1.98 0.15 117.51 121.86 2or4 h ILE 659 Ca 0.45 -1.77 -0.06 0.00 -0.39 0.00 0.00 64.86 63.09 2or4 h ILE 659 Cb 0.75 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 2or4 h ILE 659 CO -0.46 0.57 0.21 0.58 -0.69 0.00 0.00 178.15 178.37 2or4 h VAL 660 N 0.63 1.26 -0.28 1.67 2.07 -1.86 -0.59 116.25 119.15 2or4 h VAL 660 Ca 0.01 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2or4 h VAL 660 Cb 1.18 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2or4 h VAL 660 CO 0.12 0.36 0.12 0.25 0.02 0.00 0.00 177.57 178.44 2or4 h LEU 661 N 1.07 0.38 -1.15 2.57 5.85 -1.06 -2.63 115.31 120.33 2or4 h LEU 661 Ca 0.23 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2or4 h LEU 661 Cb 0.32 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2or4 h LEU 661 CO -0.01 0.42 0.59 -0.09 -0.34 0.00 0.00 178.44 179.02 2or4 h ARG 662 N 0.31 0.92 -0.04 1.25 9.65 -0.21 -2.89 114.38 123.38 2or4 h ARG 662 Ca 0.09 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2or4 h ARG 662 Cb 0.15 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 2or4 h ARG 662 CO -0.01 0.61 -0.48 0.52 2.80 0.00 0.00 179.97 183.42 2or4 h MET 663 N 0.95 -0.55 -0.64 0.20 2.86 -0.73 -2.56 114.93 114.46 2or4 h MET 663 Ca 0.42 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 58.01 2or4 h MET 663 Cb 0.36 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2or4 h MET 663 CO -0.18 -0.36 0.07 0.52 1.06 0.00 0.00 176.91 178.01 2or4 h MET 664 N -0.57 1.07 -0.69 1.72 2.86 -1.53 -2.32 114.93 115.48 2or4 h MET 664 Ca 0.02 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2or4 h MET 664 Cb 0.62 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2or4 h MET 664 CO -0.34 1.00 0.41 -0.91 1.06 0.00 0.00 176.91 178.14 2or4 h ASN 665 N 1.00 0.83 -0.66 1.22 2.35 -1.61 -0.59 115.58 118.12 2or4 h ASN 665 Ca 0.19 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2or4 h ASN 665 Cb 0.48 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2or4 h ASN 665 CO 0.02 0.65 0.43 0.44 -1.65 0.00 0.00 177.43 177.32 2or4 h ASP 666 N 0.94 0.75 -0.74 5.81 3.32 -1.11 0.18 116.42 125.55 2or4 h ASP 666 Ca 0.25 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.33 2or4 h ASP 666 Cb -0.03 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 2or4 h ASP 666 CO -0.05 0.54 0.45 1.56 -1.72 0.00 0.00 179.24 180.02 2or4 h GLN 667 N 0.88 0.82 -0.53 3.56 4.20 -1.00 0.24 115.11 123.27 2or4 h GLN 667 Ca 0.24 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 2or4 h GLN 667 Cb -0.09 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 2or4 h GLN 667 CO -0.06 0.54 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.51 2or4 h LEU 668 N 0.84 0.97 -0.18 1.46 3.38 -0.40 -2.55 115.31 118.82 2or4 h LEU 668 Ca 0.32 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2or4 h LEU 668 Cb 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2or4 h LEU 668 CO -0.15 1.07 -0.42 -0.03 0.09 0.00 0.00 178.44 179.00 2or4 h MET 669 N 0.85 0.61 0.00 1.13 4.05 -0.28 -2.93 114.93 118.36 2or4 h MET 669 Ca 0.14 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2or4 h MET 669 Cb 0.61 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2or4 h MET 669 CO 0.04 1.03 0.00 1.19 0.23 0.00 0.00 176.91 179.40 2or4 n PHE 670 N -4.24 0.00 -0.05 1.39 3.72 0.81 -3.98 117.46 115.12 2or4 n PHE 670 Ca -0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.21 2or4 n PHE 670 Cb 0.55 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.02 2or4 n PHE 670 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2or4 h LEU 671 N 0.00 0.33 -1.19 4.37 5.85 -1.25 0.41 115.31 123.83 2or4 h LEU 671 Ca 0.00 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2or4 h LEU 671 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2or4 h LEU 671 CO 0.00 0.68 0.55 -0.08 -0.34 0.00 0.00 178.44 179.25 2or4 h GLU 672 N -0.02 1.07 -0.39 1.25 4.57 -1.75 -1.67 114.58 117.65 2or4 h GLU 672 Ca 0.03 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2or4 h GLU 672 Cb 0.56 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2or4 h GLU 672 CO 0.02 0.71 0.20 -0.09 -1.18 0.00 0.00 179.01 178.68 2or4 h ARG 673 N 1.11 0.53 0.00 1.92 9.65 -0.93 -2.08 114.38 124.57 2or4 h ARG 673 Ca 0.31 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2or4 h ARG 673 Cb -0.11 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2or4 h ARG 673 CO -0.07 0.40 0.00 0.00 2.80 0.00 0.00 179.97 183.10 2or4 h ALA 674 N 1.69 1.00 -0.00 2.80 0.00 0.07 -2.19 119.26 122.64 2or4 h ALA 674 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2or4 h ALA 674 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2or4 h ALA 674 CO -0.02 0.00 -0.02 1.19 0.00 0.00 0.00 179.25 180.40 2or4 n PHE 675 N -2.52 0.00 -2.66 0.00 3.72 -0.78 -4.53 117.46 110.69 2or4 n PHE 675 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2or4 n PHE 675 Cb 0.23 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 2or4 n PHE 675 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2or4 s ILE 676 N -2.18 4.61 -0.26 4.37 -1.09 -0.82 -0.87 121.20 124.96 2or4 s ILE 676 Ca 0.40 1.95 -0.09 0.00 -2.23 0.00 0.00 60.65 60.69 2or4 s ILE 676 Cb 0.21 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2or4 s ILE 676 CO 0.40 0.20 0.11 -0.62 -1.23 0.00 0.00 174.94 173.80 2or4 s ASP 677 N 0.71 5.45 0.31 3.58 -1.08 0.14 -4.95 116.67 120.83 2or4 s ASP 677 Ca 0.52 -0.13 0.23 0.00 -0.52 0.00 0.00 52.55 52.64 2or4 s ASP 677 Cb -0.23 -1.99 1.14 0.00 -1.46 0.00 0.00 42.92 40.38 2or4 s ASP 677 CO 0.29 -0.03 1.69 -0.81 0.52 0.00 0.00 175.17 176.83 2or4 n PRO 678 N 4.90 0.16 0.00 4.34 -0.04 -1.26 -0.99 135.00 142.11 2or4 n PRO 678 Ca -0.15 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 2or4 n PRO 678 Cb 0.52 -1.95 0.36 0.00 -0.04 0.00 0.00 33.50 32.39 2or4 n PRO 678 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2or4 n LEU 679 N -2.28 0.68 -0.68 1.53 4.77 -1.26 -5.07 117.00 114.70 2or4 n LEU 679 Ca -0.00 -0.08 0.09 0.00 -0.03 0.00 0.00 56.01 55.99 2or4 n LEU 679 Cb 0.09 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2or4 n LEU 679 CO 0.13 0.14 -0.15 0.61 -1.33 0.00 0.00 177.39 176.79 2or4 n GLY 680 N 1.41 -1.74 3.89 -0.72 0.00 -0.17 -4.81 105.19 103.07 2or4 n GLY 680 Ca 0.09 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 2or4 n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2or4 s LEU 681 N -4.81 3.33 -0.11 0.99 1.43 -0.06 -4.95 118.68 114.51 2or4 s LEU 681 Ca 0.00 1.06 -0.36 0.00 -1.03 0.00 0.00 54.13 53.81 2or4 s LEU 681 Cb 0.00 -4.00 -0.13 0.00 0.03 0.00 0.00 46.19 42.09 2or4 s LEU 681 CO 0.00 -0.87 1.81 -2.65 0.23 0.00 0.00 176.35 174.87 2or4 n PRO 682 N -2.57 1.91 -1.19 1.29 -0.02 -1.26 -0.82 135.00 132.33 2or4 n PRO 682 Ca 0.04 0.70 -0.07 0.00 -2.02 0.00 0.00 63.50 62.14 2or4 n PRO 682 Cb 0.56 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2or4 n PRO 682 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2or4 n ASP 683 N 5.94 -5.60 -3.36 2.55 8.00 -1.26 -4.87 116.55 117.95 2or4 n ASP 683 Ca 0.23 0.19 -0.26 0.00 0.71 0.00 0.00 54.79 55.66 2or4 n ASP 683 Cb 0.25 -3.88 -0.09 0.00 -0.02 0.00 0.00 41.12 37.39 2or4 n ASP 683 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2or4 n ARG 684 N -0.26 0.91 0.30 -1.24 1.74 0.00 -4.98 116.66 113.13 2or4 n ARG 684 Ca -0.07 -3.53 0.17 0.00 -0.77 0.00 0.00 57.85 53.64 2or4 n ARG 684 Cb 0.55 -1.61 0.96 0.00 -1.02 0.00 0.00 32.46 31.34 2or4 n ARG 684 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2or4 h PRO 685 N 4.68 0.00 -0.02 5.56 0.13 -1.88 -1.22 132.00 139.25 2or4 h PRO 685 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2or4 h PRO 685 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2or4 h PRO 685 CO 0.51 0.03 -0.01 1.19 -0.23 0.00 0.00 178.00 179.49 2or4 n PHE 686 N -3.53 0.00 -3.66 1.56 3.72 -1.26 -4.48 117.46 109.80 2or4 n PHE 686 Ca -0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 2or4 n PHE 686 Cb 0.12 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.55 2or4 n PHE 686 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2or4 s TYR 687 N -2.01 3.28 -0.33 1.38 2.02 -0.47 -3.88 117.35 117.33 2or4 s TYR 687 Ca 0.35 -1.31 0.03 0.00 -0.37 0.00 0.00 57.07 55.77 2or4 s TYR 687 Cb 0.21 -2.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.26 2or4 s TYR 687 CO 0.33 -0.74 0.44 0.54 -1.57 0.00 0.00 175.55 174.55 2or4 n ARG 688 N 4.90 1.87 -2.70 -0.62 1.74 0.74 -0.88 116.66 121.70 2or4 n ARG 688 Ca -0.11 -0.45 -0.41 0.00 -0.77 0.00 0.00 57.85 56.10 2or4 n ARG 688 Cb 0.45 -0.91 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 2or4 n ARG 688 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2or4 s HIS 689 N -0.66 3.73 -0.29 -1.55 2.46 -1.05 0.23 115.29 118.17 2or4 s HIS 689 Ca 0.03 1.74 0.23 0.00 0.47 0.00 0.00 55.06 57.53 2or4 s HIS 689 Cb 0.03 -3.10 0.09 0.00 -0.13 0.00 0.00 32.58 29.47 2or4 s HIS 689 CO 0.08 0.05 1.18 0.28 -2.47 0.00 0.00 174.74 173.86 2or4 h VAL 690 N 4.34 0.00 0.10 0.89 2.07 -1.37 -3.36 116.25 118.91 2or4 h VAL 690 Ca -0.42 -0.99 -0.33 0.00 0.82 0.00 0.00 66.70 65.77 2or4 h VAL 690 Cb 1.21 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2or4 h VAL 690 CO 0.73 0.00 -1.82 0.40 0.02 0.00 0.00 177.57 176.91 2or4 h ILE 691 N 0.00 0.80 -4.01 4.57 1.08 -1.92 -3.37 117.51 114.66 2or4 h ILE 691 Ca 0.00 -2.53 -0.47 0.00 -0.39 0.00 0.00 64.86 61.47 2or4 h ILE 691 Cb 1.00 2.55 -0.23 0.00 -3.07 0.00 0.00 36.82 37.06 2or4 h ILE 691 CO 0.00 0.78 -0.80 -0.31 -0.69 0.00 0.00 178.15 177.13 2or4 s TYR 692 N -2.58 1.38 0.16 1.37 2.02 -1.26 -0.66 117.35 117.78 2or4 s TYR 692 Ca -0.15 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 2or4 s TYR 692 Cb 0.07 -0.80 0.01 0.00 -0.40 0.00 0.00 41.96 40.84 2or4 s TYR 692 CO 0.81 0.07 0.37 0.00 -1.57 0.00 0.00 175.55 175.23 2or4 s ALA 693 N -1.02 -0.43 0.36 3.71 0.00 -0.68 -4.42 121.76 119.28 2or4 s ALA 693 Ca 0.02 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 2or4 s ALA 693 Cb -0.09 0.80 -0.11 0.00 0.00 0.00 0.00 23.12 23.72 2or4 s ALA 693 CO 0.02 -0.68 1.43 -2.14 0.00 0.00 0.00 175.76 174.38 2or4 s PRO 694 N -3.91 4.20 0.32 0.00 0.02 -1.26 -0.17 135.00 134.20 2or4 s PRO 694 Ca 0.12 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 2or4 s PRO 694 Cb 0.02 -3.01 -0.11 0.00 0.02 0.00 0.00 34.50 31.42 2or4 s PRO 694 CO -0.03 -0.41 1.58 0.45 -0.33 0.00 0.00 177.00 178.25 2or4 s SER 695 N -0.24 6.34 0.19 2.53 0.15 0.74 -4.77 113.70 118.64 2or4 s SER 695 Ca 0.52 3.01 0.17 0.00 0.70 0.00 0.00 55.95 60.34 2or4 s SER 695 Cb -0.44 -2.65 0.80 0.00 -1.71 0.00 0.00 66.02 62.02 2or4 s SER 695 CO 0.59 -0.92 1.52 -1.20 1.20 0.00 0.00 173.24 174.43 2or4 n SER 696 N 1.66 0.40 -0.00 5.45 7.64 -1.26 -1.96 113.62 125.55 2or4 n SER 696 Ca 0.06 0.64 0.08 0.00 1.01 0.00 0.00 58.87 60.66 2or4 n SER 696 Cb 0.38 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 2or4 n SER 696 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2or4 n HIS 697 N -1.98 0.00 -3.10 1.43 8.25 -1.26 -4.90 115.22 113.66 2or4 n HIS 697 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.51 2or4 n HIS 697 Cb 0.12 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 2or4 n HIS 697 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2or4 s ASN 698 N -2.68 -0.98 0.59 0.41 2.47 -0.83 -4.81 114.94 109.11 2or4 s ASN 698 Ca 0.06 -0.08 0.29 0.00 0.42 0.00 0.00 52.86 53.55 2or4 s ASN 698 Cb 0.13 1.49 1.50 0.00 -1.45 0.00 0.00 41.25 42.91 2or4 s ASN 698 CO 0.71 -0.16 1.93 0.50 -3.72 0.00 0.00 177.10 176.36 2or4 h LYS 699 N 7.15 0.00 0.00 0.43 3.64 -1.89 -0.84 116.57 125.05 2or4 h LYS 699 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2or4 h LYS 699 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2or4 h LYS 699 CO 0.02 0.00 0.00 1.88 -2.27 0.00 0.00 179.45 179.08 2or4 h TYR 700 N 0.00 0.00 -2.81 1.91 0.05 -1.89 0.26 116.97 114.50 2or4 h TYR 700 Ca 0.20 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.33 2or4 h TYR 700 Cb 1.10 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.76 2or4 h TYR 700 CO 0.00 0.00 -0.47 0.00 -1.05 0.00 0.00 178.16 176.64 2or4 s ALA 701 N -3.23 3.82 0.25 3.88 0.00 -0.32 -4.45 121.76 121.70 2or4 s ALA 701 Ca 0.07 -0.63 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 2or4 s ALA 701 Cb 0.10 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 2or4 s ALA 701 CO 0.57 0.50 0.76 0.20 0.00 0.00 0.00 175.76 177.78 2or4 s GLY 702 N -0.70 2.61 -0.02 0.00 0.00 -1.26 -0.18 107.32 107.76 2or4 s GLY 702 Ca 0.14 0.20 0.08 0.00 0.00 0.00 0.00 44.72 45.13 2or4 s GLY 702 CO 0.03 0.55 -0.25 1.85 0.00 0.00 0.00 173.10 175.29 2or4 s GLU 703 N -2.10 2.02 0.18 2.90 2.56 0.76 -4.75 118.70 120.29 2or4 s GLU 703 Ca 0.45 -0.88 -0.00 0.00 0.00 0.00 0.00 54.97 54.54 2or4 s GLU 703 Cb -0.16 -1.94 -0.04 0.00 2.00 0.00 0.00 34.13 33.98 2or4 s GLU 703 CO 0.21 0.52 0.36 -1.54 -0.56 0.00 0.00 175.26 174.26 2or4 s SER 704 N -0.56 6.38 -1.37 -1.70 1.04 -1.26 -1.68 113.70 114.55 2or4 s SER 704 Ca 0.09 0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 2or4 s SER 704 Cb -0.10 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 64.05 2or4 s SER 704 CO -0.01 -0.01 0.26 0.49 0.98 0.00 0.00 173.24 174.95 2or4 n PHE 705 N -0.57 -1.26 -0.12 5.02 3.72 0.17 -4.63 117.46 119.80 2or4 n PHE 705 Ca -0.05 0.37 0.10 0.00 -0.05 0.00 0.00 57.45 57.82 2or4 n PHE 705 Cb 0.54 -2.69 0.45 0.00 -0.94 0.00 0.00 39.48 36.84 2or4 n PHE 705 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2or4 h PRO 706 N -2.01 0.51 -0.36 -1.08 0.13 -1.75 0.90 132.00 128.33 2or4 h PRO 706 Ca -0.66 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.32 2or4 h PRO 706 Cb 1.36 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2or4 h PRO 706 CO 0.61 0.34 -0.26 0.78 -0.23 0.00 0.00 178.00 179.25 2or4 h GLY 707 N 0.53 0.89 0.87 1.56 0.00 -1.87 -0.18 103.07 104.86 2or4 h GLY 707 Ca 0.29 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 2or4 h GLY 707 CO -0.09 0.77 -0.20 -2.22 0.00 0.00 0.00 176.54 174.80 2or4 h ILE 708 N 0.61 1.32 -0.20 2.60 2.04 -1.62 -2.51 117.51 119.75 2or4 h ILE 708 Ca 0.07 -1.35 0.06 0.00 1.00 0.00 0.00 64.86 64.64 2or4 h ILE 708 Cb 0.82 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 2or4 h ILE 708 CO 0.07 0.42 -0.27 0.22 0.00 0.00 0.00 178.15 178.59 2or4 h TYR 709 N 0.24 -0.72 -0.76 1.37 3.20 -0.71 -1.33 116.97 118.26 2or4 h TYR 709 Ca 0.04 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2or4 h TYR 709 Cb 0.74 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 2or4 h TYR 709 CO 0.07 -0.34 0.40 -0.44 -1.64 0.00 0.00 178.16 176.21 2or4 h ASP 710 N -0.30 0.95 -0.69 -2.11 3.32 -1.09 -0.35 116.42 116.15 2or4 h ASP 710 Ca 0.12 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2or4 h ASP 710 Cb 0.49 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2or4 h ASP 710 CO -0.37 0.78 0.46 0.00 -1.72 0.00 0.00 179.24 178.39 2or4 h ALA 711 N 1.38 1.54 0.00 3.45 0.00 -1.00 -2.91 119.26 121.71 2or4 h ALA 711 Ca 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2or4 h ALA 711 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2or4 h ALA 711 CO -0.04 0.42 -0.57 -0.07 0.00 0.00 0.00 179.25 178.99 2or4 h LEU 712 N 0.91 0.00 -9.54 0.00 3.38 -0.59 -3.44 115.31 106.02 2or4 h LEU 712 Ca 0.26 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.70 2or4 h LEU 712 Cb -0.06 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.73 2or4 h LEU 712 CO -0.06 0.40 1.04 0.12 0.09 0.00 0.00 178.44 180.03 2or4 s PHE 713 N -3.02 2.48 -1.58 1.13 5.36 -0.20 -2.07 117.98 120.08 2or4 s PHE 713 Ca 0.03 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2or4 s PHE 713 Cb 0.07 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2or4 s PHE 713 CO 0.74 -4.38 0.00 -3.47 -1.46 0.00 0.00 175.22 166.66 2or4 n ASP 714 N 5.07 -5.14 0.19 6.13 2.03 -1.26 -4.85 116.55 118.72 2or4 n ASP 714 Ca 0.16 0.11 0.04 0.00 0.52 0.00 0.00 54.79 55.63 2or4 n ASP 714 Cb 0.38 -4.35 0.44 0.00 -0.72 0.00 0.00 41.12 36.87 2or4 n ASP 714 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2or4 h ILE 715 N 0.00 1.18 0.00 5.18 2.10 -1.71 -2.11 117.51 122.15 2or4 h ILE 715 Ca -0.42 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 64.68 2or4 h ILE 715 Cb 1.29 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 2or4 h ILE 715 CO 0.51 0.24 0.00 -1.84 -1.08 0.00 0.00 178.15 175.98 2or4 n GLU 716 N -4.25 0.15 0.00 2.19 0.00 -1.26 -1.26 120.64 116.21 2or4 n GLU 716 Ca -0.02 0.60 0.13 0.00 0.00 0.00 0.00 57.16 57.86 2or4 n GLU 716 Cb 0.30 -1.94 0.27 0.00 0.00 0.00 0.00 31.44 30.07 2or4 n GLU 716 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2or4 n SER 717 N -2.24 1.76 -4.75 -1.84 7.64 -0.79 -4.96 113.62 108.44 2or4 n SER 717 Ca -0.01 -1.40 -0.40 0.00 1.01 0.00 0.00 58.87 58.07 2or4 n SER 717 Cb 0.07 0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 2or4 n SER 717 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2or4 s LYS 718 N -2.28 4.72 0.28 1.43 -0.14 -0.39 -4.95 119.74 118.42 2or4 s LYS 718 Ca 0.27 1.68 0.11 0.00 -1.36 0.00 0.00 55.97 56.67 2or4 s LYS 718 Cb 0.20 -3.23 0.37 0.00 -1.68 0.00 0.00 37.83 33.49 2or4 s LYS 718 CO 0.45 0.33 1.62 0.28 -0.76 0.00 0.00 175.35 177.26 2or4 h VAL 719 N 3.13 1.41 -3.45 3.17 2.07 -1.93 -3.37 116.25 117.28 2or4 h VAL 719 Ca -0.46 -2.09 -0.66 0.00 0.82 0.00 0.00 66.70 64.32 2or4 h VAL 719 Cb 1.21 2.13 -0.39 0.00 -1.52 0.00 0.00 31.29 32.72 2or4 h VAL 719 CO 0.67 0.59 -0.57 -0.62 0.02 0.00 0.00 177.57 177.66 2or4 s ASP 720 N -6.82 4.60 0.35 0.57 -1.08 -1.26 -4.96 116.67 108.07 2or4 s ASP 720 Ca -0.01 -2.87 0.08 0.00 -0.52 0.00 0.00 52.55 49.23 2or4 s ASP 720 Cb 0.13 -1.70 0.64 0.00 -1.46 0.00 0.00 42.92 40.53 2or4 s ASP 720 CO 0.76 -0.29 1.83 -0.65 0.52 0.00 0.00 175.17 177.34 2or4 h PRO 721 N 6.77 0.26 -0.46 4.34 0.11 -1.94 -1.59 132.00 139.49 2or4 h PRO 721 Ca -0.06 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 2or4 h PRO 721 Cb 0.92 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 2or4 h PRO 721 CO 0.68 0.48 0.28 1.03 -0.21 0.00 0.00 178.00 180.26 2or4 h SER 722 N 0.24 0.56 -0.26 -2.05 0.87 -1.96 0.11 113.55 111.05 2or4 h SER 722 Ca 0.04 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2or4 h SER 722 Cb 0.54 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2or4 h SER 722 CO 0.04 0.45 0.08 0.50 -0.53 0.00 0.00 176.83 177.37 2or4 h LYS 723 N 0.61 0.41 -0.51 2.24 3.64 -1.91 -1.45 116.57 119.59 2or4 h LYS 723 Ca 0.17 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2or4 h LYS 723 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2or4 h LYS 723 CO -0.03 0.48 0.24 0.00 -2.27 0.00 0.00 179.45 177.87 2or4 h ALA 724 N 0.91 0.66 0.00 5.00 0.00 -0.98 -1.12 119.26 123.73 2or4 h ALA 724 Ca 0.08 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2or4 h ALA 724 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2or4 h ALA 724 CO -0.00 0.23 -0.67 -1.49 0.00 0.00 0.00 179.25 177.32 2or4 h TRP 725 N 0.68 0.00 -0.73 0.00 4.06 -0.82 -2.10 115.95 117.04 2or4 h TRP 725 Ca 0.18 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.15 2or4 h TRP 725 Cb 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.24 2or4 h TRP 725 CO -0.00 0.67 0.46 0.78 -3.56 0.00 0.00 178.44 176.79 2or4 h GLY 726 N 2.34 1.05 1.53 1.49 0.00 -0.86 -1.01 103.07 107.59 2or4 h GLY 726 Ca -0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 2or4 h GLY 726 CO 0.09 0.31 -0.40 -2.09 0.00 0.00 0.00 176.54 174.44 2or4 h GLU 727 N 0.91 0.52 -0.31 4.80 4.57 -0.82 -0.13 114.58 124.13 2or4 h GLU 727 Ca 0.29 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 2or4 h GLU 727 Cb -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 2or4 h GLU 727 CO -0.10 0.84 0.02 0.28 -1.18 0.00 0.00 179.01 178.86 2or4 h VAL 728 N 0.43 0.79 -0.82 0.32 2.07 -0.98 -0.51 116.25 117.55 2or4 h VAL 728 Ca 0.04 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2or4 h VAL 728 Cb 0.89 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2or4 h VAL 728 CO 0.08 0.02 0.36 0.11 0.02 0.00 0.00 177.57 178.16 2or4 h LYS 729 N 0.11 1.21 -0.53 1.57 1.57 -0.77 -0.07 116.57 119.66 2or4 h LYS 729 Ca 0.15 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2or4 h LYS 729 Cb 0.19 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2or4 h LYS 729 CO -0.24 0.95 0.30 -0.09 -0.57 0.00 0.00 179.45 179.80 2or4 h ARG 730 N 1.19 0.56 -0.21 3.15 2.43 -0.67 -1.53 114.38 119.30 2or4 h ARG 730 Ca 0.28 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 2or4 h ARG 730 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2or4 h ARG 730 CO -0.03 0.37 -0.33 1.96 -1.51 0.00 0.00 179.97 180.43 2or4 h GLN 731 N 0.58 0.44 -0.46 0.20 1.08 -0.48 -0.88 115.11 115.58 2or4 h GLN 731 Ca 0.23 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2or4 h GLN 731 Cb 0.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2or4 h GLN 731 CO -0.13 0.72 0.25 0.82 -0.95 0.00 0.00 178.83 179.54 2or4 h ILE 732 N 0.38 1.16 -0.23 2.54 2.04 -0.69 -0.77 117.51 121.94 2or4 h ILE 732 Ca 0.05 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.52 2or4 h ILE 732 Cb 0.77 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2or4 h ILE 732 CO 0.06 0.17 0.04 0.22 0.00 0.00 0.00 178.15 178.64 2or4 h TYR 733 N 0.61 0.06 -0.69 1.37 3.20 -0.88 0.47 116.97 121.11 2or4 h TYR 733 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2or4 h TYR 733 Cb 0.05 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2or4 h TYR 733 CO -0.02 0.01 0.39 0.28 -1.64 0.00 0.00 178.16 177.18 2or4 h VAL 734 N 0.12 1.21 -0.14 1.81 2.07 -1.02 -0.73 116.25 119.57 2or4 h VAL 734 Ca 0.10 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2or4 h VAL 734 Cb 0.10 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2or4 h VAL 734 CO -0.14 0.23 0.03 0.00 0.02 0.00 0.00 177.57 177.71 2or4 h ALA 735 N 1.19 0.19 -0.60 1.67 0.00 -0.86 -0.02 119.26 120.83 2or4 h ALA 735 Ca 0.24 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2or4 h ALA 735 Cb 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2or4 h ALA 735 CO -0.04 -0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.41 2or4 h ALA 736 N 0.82 0.77 -0.21 0.00 0.00 -0.78 -0.07 119.26 119.79 2or4 h ALA 736 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2or4 h ALA 736 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2or4 h ALA 736 CO 0.00 0.10 0.11 0.35 0.00 0.00 0.00 179.25 179.82 2or4 h PHE 737 N 0.72 0.29 -0.67 0.00 3.57 -1.02 -0.46 116.94 119.36 2or4 h PHE 737 Ca 0.24 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 2or4 h PHE 737 Cb 0.02 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2or4 h PHE 737 CO -0.06 0.26 0.10 1.15 -2.23 0.00 0.00 178.31 177.54 2or4 h THR 738 N 0.23 1.27 -0.16 4.41 2.02 -0.63 0.52 112.91 120.56 2or4 h THR 738 Ca 0.07 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 2or4 h THR 738 Cb 0.07 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2or4 h THR 738 CO -0.01 0.40 0.10 0.58 0.37 0.00 0.00 175.52 176.95 2or4 h VAL 739 N 1.05 1.07 -0.82 3.16 2.07 -0.80 -0.16 116.25 121.82 2or4 h VAL 739 Ca 0.20 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2or4 h VAL 739 Cb 0.46 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2or4 h VAL 739 CO 0.01 0.07 0.48 -0.61 0.02 0.00 0.00 177.57 177.55 2or4 h GLN 740 N 0.19 1.12 -0.49 1.57 5.75 -0.87 -0.45 115.11 121.93 2or4 h GLN 740 Ca 0.06 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 2or4 h GLN 740 Cb 0.03 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 2or4 h GLN 740 CO -0.01 0.80 -0.14 0.00 -2.65 0.00 0.00 178.83 176.83 2or4 h ALA 741 N 1.26 0.84 -0.32 3.38 0.00 -0.63 0.25 119.26 124.03 2or4 h ALA 741 Ca 0.29 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2or4 h ALA 741 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2or4 h ALA 741 CO -0.05 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.95 2or4 h ALA 742 N 1.02 0.42 -0.50 0.00 0.00 -0.76 -2.72 119.26 116.72 2or4 h ALA 742 Ca 0.13 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2or4 h ALA 742 Cb 0.68 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2or4 h ALA 742 CO 0.05 0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 2or4 h ALA 743 N 0.94 0.40 0.00 0.00 0.00 -0.60 -1.35 119.26 118.66 2or4 h ALA 743 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2or4 h ALA 743 Cb 0.24 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2or4 h ALA 743 CO -0.00 -0.42 0.00 0.93 0.00 0.00 0.00 179.25 179.76 2or4 h GLU 744 N 0.05 0.00 0.00 0.00 5.08 -0.66 0.30 114.58 119.35 2or4 h GLU 744 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2or4 h GLU 744 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2or4 h GLU 744 CO -0.47 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.33 2or4 h THR 745 N 0.00 0.00 0.00 1.13 1.35 -1.02 -2.78 112.91 111.58 2or4 h THR 745 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2or4 h THR 745 Cb 0.08 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2or4 h THR 745 CO 0.00 0.00 -1.12 0.18 -0.25 0.00 0.00 175.52 174.33 2or4 n LEU 746 N -2.81 0.62 -4.61 3.87 4.77 0.08 -4.87 117.00 114.05 2or4 n LEU 746 Ca 0.02 -0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 2or4 n LEU 746 Cb 0.32 -0.07 0.18 0.00 -2.33 0.00 0.00 43.42 41.53 2or4 n LEU 746 CO 0.26 0.10 0.59 -1.20 -1.33 0.00 0.00 177.39 175.80 2or4 n SER 747 N -1.86 -0.21 -4.71 -1.43 7.64 -1.05 -4.65 113.62 107.34 2or4 n SER 747 Ca 0.02 0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 2or4 n SER 747 Cb 0.42 -1.42 0.01 0.00 -1.01 0.00 0.00 64.21 62.22 2or4 n SER 747 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2or4 n GLU 748 N -4.21 1.98 0.21 1.43 1.02 -1.26 -4.83 120.64 114.98 2or4 n GLU 748 Ca 0.10 0.71 0.10 0.00 -0.02 0.00 0.00 57.16 58.04 2or4 n GLU 748 Cb 0.53 -2.43 0.26 0.00 -0.02 0.00 0.00 31.44 29.78 2or4 n GLU 748 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2or4 h VAL 749 N 2.11 0.32 0.00 2.62 -1.51 -1.94 -3.51 116.25 114.34 2or4 h VAL 749 Ca -0.48 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 63.72 2or4 h VAL 749 Cb 1.29 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.45 2or4 h VAL 749 CO 0.60 0.17 0.00 0.00 -1.23 0.00 0.00 177.57 177.11