#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cca s LYS 27 N 0.00 1.90 0.44 2.12 1.02 -1.26 -5.09 119.74 118.87 2cca s LYS 27 Ca 0.00 -1.54 -0.25 0.00 0.02 0.00 0.00 55.97 54.20 2cca s LYS 27 Cb 0.00 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.26 2cca s LYS 27 CO 0.00 0.37 1.38 0.71 -0.92 0.00 0.00 175.35 176.89 2cca s TYR 28 N -2.18 2.59 0.46 3.18 2.02 -1.26 -4.11 117.35 118.06 2cca s TYR 28 Ca 0.28 1.32 0.20 0.00 -0.37 0.00 0.00 57.07 58.50 2cca s TYR 28 Cb -0.07 -3.82 1.18 0.00 -0.40 0.00 0.00 41.96 38.86 2cca s TYR 28 CO 0.16 -2.60 1.94 -1.35 -1.57 0.00 0.00 175.55 172.13 2cca h PRO 29 N 2.43 0.26 0.00 -1.71 0.11 -1.91 0.74 132.00 131.91 2cca h PRO 29 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2cca h PRO 29 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2cca h PRO 29 CO 0.61 0.17 0.00 -0.24 -0.21 0.00 0.00 178.00 178.33 2cca h VAL 30 N 0.26 0.00 -0.39 3.15 3.04 -1.91 -1.27 116.25 119.13 2cca h VAL 30 Ca 0.34 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2cca h VAL 30 Cb 0.95 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2cca h VAL 30 CO -0.08 0.00 0.00 1.21 -1.01 0.00 0.00 177.57 177.69 2cca n GLU 31 N -2.70 3.15 -0.00 4.17 2.13 0.10 -4.96 120.64 122.51 2cca n GLU 31 Ca 0.01 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.25 2cca n GLU 31 Cb 0.24 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.29 2cca n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cca n GLY 32 N 0.28 0.46 3.76 8.31 0.00 -0.48 -4.86 105.19 112.66 2cca n GLY 32 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2cca n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cca s GLY 33 N -1.09 2.88 0.05 -0.02 0.00 -0.28 -4.91 107.32 103.96 2cca s GLY 33 Ca 0.00 1.24 -0.09 0.00 0.00 0.00 0.00 44.72 45.87 2cca s GLY 33 CO 0.00 1.77 0.42 0.61 0.00 0.00 0.00 173.10 175.90 2cca n GLY 34 N 0.63 0.89 0.26 0.20 0.00 -1.26 -4.03 105.19 101.88 2cca n GLY 34 Ca 0.07 -0.99 0.15 0.00 0.00 0.00 0.00 46.02 45.26 2cca n GLY 34 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2cca h ASN 35 N 0.76 0.00 0.31 1.61 2.35 -1.96 -2.50 115.58 116.15 2cca h ASN 35 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2cca h ASN 35 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2cca h ASN 35 CO 0.14 0.07 0.00 1.56 -1.65 0.00 0.00 177.43 177.55 2cca h GLN 36 N 0.00 0.00 -0.08 0.81 4.20 -1.93 -1.72 115.11 116.39 2cca h GLN 36 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2cca h GLN 36 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2cca h GLN 36 CO 0.01 0.00 -0.65 -0.44 -0.67 0.00 0.00 178.83 177.08 2cca h ASP 37 N 0.00 0.37 0.23 1.46 3.32 -1.82 -2.64 116.42 117.35 2cca h ASP 37 Ca 0.00 -0.23 -0.35 0.00 0.02 0.00 0.00 57.03 56.48 2cca h ASP 37 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2cca h ASP 37 CO 0.00 0.92 -1.76 -0.50 -1.72 0.00 0.00 179.24 176.18 2cca h TRP 38 N 0.23 0.63 -2.94 4.55 4.06 -1.62 -3.42 115.95 117.44 2cca h TRP 38 Ca -0.01 -0.46 -0.61 0.00 2.06 0.00 0.00 58.89 59.86 2cca h TRP 38 Cb 1.19 -0.03 -0.41 0.00 -1.00 0.00 0.00 29.16 28.92 2cca h TRP 38 CO 0.03 1.63 -0.69 -1.58 -3.56 0.00 0.00 178.44 174.27 2cca s TRP 39 N -2.58 2.74 0.46 0.49 0.51 -0.69 -5.01 118.94 114.86 2cca s TRP 39 Ca -0.16 -2.96 0.13 0.00 -2.12 0.00 0.00 56.10 51.00 2cca s TRP 39 Cb 0.06 -2.20 1.09 0.00 -0.81 0.00 0.00 33.47 31.61 2cca s TRP 39 CO 0.84 -0.66 2.07 -1.35 -0.51 0.00 0.00 176.95 177.34 2cca h PRO 40 N 5.78 0.27 -0.53 4.98 0.11 -1.72 -2.50 132.00 138.38 2cca h PRO 40 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2cca h PRO 40 Cb 0.83 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2cca h PRO 40 CO 0.60 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 2cca n ASN 41 N -4.49 4.31 -4.73 -2.05 3.02 -1.26 -4.95 115.26 105.10 2cca n ASN 41 Ca 0.03 -2.48 -0.36 0.00 -0.03 0.00 0.00 54.58 51.74 2cca n ASN 41 Cb 0.18 -0.51 0.07 0.00 -0.61 0.00 0.00 39.78 38.91 2cca n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cca s ARG 42 N -1.89 2.55 0.11 3.52 1.70 -0.94 -4.92 118.95 119.09 2cca s ARG 42 Ca 0.45 1.95 -0.32 0.00 -0.47 0.00 0.00 55.73 57.34 2cca s ARG 42 Cb 0.30 -1.86 -0.11 0.00 -0.57 0.00 0.00 34.95 32.71 2cca s ARG 42 CO 0.20 -1.57 1.83 -0.11 -1.08 0.00 0.00 175.30 174.58 2cca n LEU 43 N -2.01 3.96 -4.34 -1.89 7.94 -1.26 -4.94 117.00 114.46 2cca n LEU 43 Ca 0.15 0.99 -0.46 0.00 -1.11 0.00 0.00 56.01 55.58 2cca n LEU 43 Cb 0.49 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 2cca n LEU 43 CO 0.46 0.14 0.44 0.21 -1.11 0.00 0.00 177.39 177.54 2cca s ASN 44 N 2.76 6.60 0.00 1.96 2.47 -1.26 -4.89 114.94 122.57 2cca s ASN 44 Ca 0.83 -2.35 0.12 0.00 0.42 0.00 0.00 52.86 51.88 2cca s ASN 44 Cb -0.50 -2.24 0.49 0.00 -1.45 0.00 0.00 41.25 37.55 2cca s ASN 44 CO 0.38 -0.73 1.37 0.18 -3.72 0.00 0.00 177.10 174.58 2cca n LEU 45 N 4.72 0.00 0.14 3.21 4.77 -1.26 -2.69 117.00 125.89 2cca n LEU 45 Ca 0.08 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 2cca n LEU 45 Cb 0.46 -0.50 0.52 0.00 -2.33 0.00 0.00 43.42 41.56 2cca n LEU 45 CO 0.41 -0.30 0.86 0.29 -1.33 0.00 0.00 177.39 177.32 2cca n LYS 46 N -1.51 0.20 0.18 3.23 5.02 -1.26 -1.40 118.16 122.62 2cca n LYS 46 Ca 0.03 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 56.91 2cca n LYS 46 Cb 0.14 -1.90 0.61 0.00 -0.02 0.00 0.00 35.03 33.85 2cca n LYS 46 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2cca h VAL 47 N 0.00 0.00 -0.65 -0.18 -1.51 -1.93 -2.21 116.25 109.78 2cca h VAL 47 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2cca h VAL 47 Cb 0.32 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2cca h VAL 47 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52 2cca n LEU 48 N -2.41 3.85 -2.66 4.19 4.77 -0.49 -4.23 117.00 120.02 2cca n LEU 48 Ca 0.00 -1.86 -0.09 0.00 -0.03 0.00 0.00 56.01 54.03 2cca n LEU 48 Cb 0.15 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2cca n LEU 48 CO 0.17 0.93 -0.05 0.00 -1.33 0.00 0.00 177.39 177.11 2cca n HIS 49 N 1.63 1.47 -2.09 -1.77 1.44 -0.83 -4.29 115.22 110.77 2cca n HIS 49 Ca 0.23 -2.61 -0.37 0.00 -2.01 0.00 0.00 57.72 52.97 2cca n HIS 49 Cb 0.62 -0.31 0.02 0.00 0.12 0.00 0.00 29.99 30.44 2cca n HIS 49 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2cca s GLN 50 N -3.38 3.30 -1.07 -1.40 -0.21 -1.23 -3.70 119.66 111.97 2cca s GLN 50 Ca 0.30 1.85 -0.21 0.00 0.02 0.00 0.00 55.36 57.32 2cca s GLN 50 Cb 0.41 -2.14 0.02 0.00 1.00 0.00 0.00 33.01 32.30 2cca s GLN 50 CO -0.00 -0.94 0.69 0.09 -2.12 0.00 0.00 175.29 173.00 2cca n ASN 51 N -1.11 -4.82 -4.75 5.90 4.13 -1.26 -4.91 115.26 108.44 2cca n ASN 51 Ca 0.11 -1.08 -0.37 0.00 1.68 0.00 0.00 54.58 54.92 2cca n ASN 51 Cb 0.49 -2.28 0.03 0.00 -1.54 0.00 0.00 39.78 36.48 2cca n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2cca s PRO 52 N -6.21 3.14 0.39 3.52 0.04 -1.24 -4.90 135.00 129.75 2cca s PRO 52 Ca 0.34 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.46 2cca s PRO 52 Cb -0.16 -2.12 0.92 0.00 0.04 0.00 0.00 34.50 33.17 2cca s PRO 52 CO 0.91 -1.11 1.93 0.00 0.04 0.00 0.00 177.00 178.78 2cca h ALA 53 N 1.27 1.93 0.00 8.56 0.00 -1.94 -1.89 119.26 127.19 2cca h ALA 53 Ca -0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2cca h ALA 53 Cb 1.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2cca h ALA 53 CO 0.57 -0.11 -0.15 -0.24 0.00 0.00 0.00 179.25 179.32 2cca h VAL 54 N 0.56 0.75 0.00 0.00 3.04 -2.02 -1.65 116.25 116.94 2cca h VAL 54 Ca 0.36 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2cca h VAL 54 Cb 0.62 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2cca h VAL 54 CO -0.13 0.15 0.00 0.00 -1.01 0.00 0.00 177.57 176.58 2cca h ALA 55 N 1.85 1.00 -2.12 3.17 0.00 -1.71 -3.44 119.26 118.00 2cca h ALA 55 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2cca h ALA 55 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2cca h ALA 55 CO 0.02 0.00 0.51 0.34 0.00 0.00 0.00 179.25 180.12 2cca s ASP 56 N -5.33 6.67 0.05 0.00 -1.08 -0.62 -4.90 116.67 111.46 2cca s ASP 56 Ca 0.08 0.60 0.25 0.00 -0.52 0.00 0.00 52.55 52.96 2cca s ASP 56 Cb 0.09 -2.44 1.02 0.00 -1.46 0.00 0.00 42.92 40.13 2cca s ASP 56 CO 0.61 -0.76 1.79 -0.81 0.52 0.00 0.00 175.17 176.53 2cca n PRO 57 N 6.53 0.06 0.15 4.34 -0.04 -1.26 -4.04 135.00 140.74 2cca n PRO 57 Ca 0.06 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 2cca n PRO 57 Cb 0.48 -1.58 0.11 0.00 -0.04 0.00 0.00 33.50 32.48 2cca n PRO 57 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2cca h MET 58 N 0.00 0.00 0.00 0.54 2.86 -1.93 -3.50 114.93 112.90 2cca h MET 58 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2cca h MET 58 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2cca h MET 58 CO 0.00 0.48 0.00 0.41 1.06 0.00 0.00 176.91 178.86 2cca n GLY 59 N 0.96 0.22 0.37 8.32 0.00 -1.26 -4.43 105.19 109.37 2cca n GLY 59 Ca 0.01 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.33 2cca n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca h ALA 60 N 0.00 1.38 -0.01 4.61 0.00 -1.96 -2.57 119.26 120.72 2cca h ALA 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cca h ALA 60 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2cca h ALA 60 CO 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 179.25 179.56 2cca n ALA 61 N -2.37 2.93 -1.72 0.00 0.00 -1.26 -4.91 120.51 113.18 2cca n ALA 61 Ca 0.14 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2cca n ALA 61 Cb 0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2cca n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cca n PHE 62 N -0.82 2.70 -3.72 0.00 7.35 -0.97 -4.97 117.46 117.03 2cca n PHE 62 Ca 0.13 0.12 -0.30 0.00 -0.76 0.00 0.00 57.45 56.64 2cca n PHE 62 Cb 0.31 -2.64 -0.15 0.00 0.35 0.00 0.00 39.48 37.35 2cca n PHE 62 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2cca s ASP 63 N 0.99 3.95 0.25 -2.13 -1.08 -1.26 -5.01 116.67 112.38 2cca s ASP 63 Ca 0.73 -1.58 -0.06 0.00 -0.52 0.00 0.00 52.55 51.13 2cca s ASP 63 Cb -0.53 -0.81 0.27 0.00 -1.46 0.00 0.00 42.92 40.39 2cca s ASP 63 CO 0.36 -0.41 1.92 0.22 0.52 0.00 0.00 175.17 177.78 2cca h TYR 64 N 8.12 1.24 -0.89 -5.34 3.20 -1.93 -1.94 116.97 119.43 2cca h TYR 64 Ca -0.14 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.89 2cca h TYR 64 Cb 1.02 -0.42 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 2cca h TYR 64 CO 0.35 0.76 0.51 0.00 -1.64 0.00 0.00 178.16 178.14 2cca h ALA 65 N 1.37 1.34 -0.10 1.82 0.00 -1.95 -0.14 119.26 121.60 2cca h ALA 65 Ca 0.37 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 2cca h ALA 65 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2cca h ALA 65 CO -0.09 0.04 -0.45 0.00 0.00 0.00 0.00 179.25 178.75 2cca h ALA 66 N 1.53 1.06 0.13 0.00 0.00 -1.80 -2.40 119.26 117.78 2cca h ALA 66 Ca 0.46 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2cca h ALA 66 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2cca h ALA 66 CO -0.31 0.62 -0.06 0.93 0.00 0.00 0.00 179.25 180.43 2cca h GLU 67 N 0.19 -0.17 0.00 0.00 4.39 -0.81 -3.32 114.58 114.86 2cca h GLU 67 Ca 0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2cca h GLU 67 Cb 0.87 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2cca h GLU 67 CO 0.07 0.29 -0.06 -0.24 -1.16 0.00 0.00 179.01 177.91 2cca h VAL 68 N -0.81 0.14 0.00 3.13 3.04 -1.13 -2.35 116.25 118.27 2cca h VAL 68 Ca -0.02 -0.78 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2cca h VAL 68 Cb 0.54 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2cca h VAL 68 CO 0.03 0.06 0.00 0.00 -1.01 0.00 0.00 177.57 176.65 2cca n ALA 69 N -2.12 1.31 0.12 3.17 0.00 -0.91 -2.58 120.51 119.50 2cca n ALA 69 Ca 0.01 0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2cca n ALA 69 Cb 0.39 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.67 2cca n ALA 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cca n THR 70 N -1.95 0.51 -2.34 0.00 -2.24 -0.89 -4.98 114.28 102.39 2cca n THR 70 Ca 0.01 -0.76 -0.39 0.00 -2.27 0.00 0.00 64.05 60.64 2cca n THR 70 Cb 0.10 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 2cca n THR 70 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2cca s ILE 71 N -0.89 3.23 -0.77 2.28 2.07 -1.07 -4.97 121.20 121.08 2cca s ILE 71 Ca 0.15 1.11 -0.25 0.00 -1.41 0.00 0.00 60.65 60.25 2cca s ILE 71 Cb 0.09 -3.65 0.05 0.00 0.13 0.00 0.00 42.46 39.07 2cca s ILE 71 CO 0.13 0.16 1.22 -0.62 -1.91 0.00 0.00 174.94 173.92 2cca s ASP 72 N -1.02 6.24 0.24 4.50 -1.08 -1.26 -4.90 116.67 119.39 2cca s ASP 72 Ca 0.53 -0.81 -0.02 0.00 -0.52 0.00 0.00 52.55 51.73 2cca s ASP 72 Cb -0.31 -2.52 0.26 0.00 -1.46 0.00 0.00 42.92 38.89 2cca s ASP 72 CO 0.40 -1.66 1.65 0.58 0.52 0.00 0.00 175.17 176.66 2cca h VAL 73 N 6.12 1.28 -0.38 1.11 2.07 -1.97 -0.94 116.25 123.54 2cca h VAL 73 Ca -0.19 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 2cca h VAL 73 Cb 1.05 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2cca h VAL 73 CO 1.27 0.44 0.06 0.44 0.02 0.00 0.00 177.57 179.80 2cca h ASP 74 N 0.55 0.61 -0.64 0.57 3.32 -1.99 -0.47 116.42 118.36 2cca h ASP 74 Ca 0.07 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 2cca h ASP 74 Cb 0.75 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2cca h ASP 74 CO 0.06 0.72 0.18 0.00 -1.72 0.00 0.00 179.24 178.48 2cca h ALA 75 N 0.91 0.85 -0.26 3.45 0.00 -1.94 -1.73 119.26 120.54 2cca h ALA 75 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2cca h ALA 75 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2cca h ALA 75 CO 0.01 0.54 0.17 1.25 0.00 0.00 0.00 179.25 181.22 2cca h LEU 76 N 0.94 0.30 -0.43 0.00 5.85 -1.05 -0.54 115.31 120.38 2cca h LEU 76 Ca 0.20 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2cca h LEU 76 Cb 0.33 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2cca h LEU 76 CO -0.00 0.22 0.17 0.74 -0.34 0.00 0.00 178.44 179.23 2cca h THR 77 N 0.35 0.89 -0.64 1.05 2.02 -0.95 -0.51 112.91 115.12 2cca h THR 77 Ca 0.09 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2cca h THR 77 Cb -0.04 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2cca h THR 77 CO -0.02 0.06 0.21 0.03 0.37 0.00 0.00 175.52 176.17 2cca h ARG 78 N 0.35 0.97 -0.48 6.66 3.08 -1.06 -0.45 114.38 123.46 2cca h ARG 78 Ca 0.20 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2cca h ARG 78 Cb 0.17 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2cca h ARG 78 CO -0.19 0.82 -0.20 -0.44 -1.07 0.00 0.00 179.97 178.90 2cca h ASP 79 N 0.94 0.99 -0.38 7.04 3.32 -0.67 -0.69 116.42 126.96 2cca h ASP 79 Ca 0.21 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2cca h ASP 79 Cb 0.26 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2cca h ASP 79 CO -0.01 1.15 -0.03 0.40 -1.72 0.00 0.00 179.24 179.03 2cca h ILE 80 N 0.84 1.27 -0.87 0.35 2.04 -0.89 -1.77 117.51 118.47 2cca h ILE 80 Ca 0.11 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.95 2cca h ILE 80 Cb 0.77 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 2cca h ILE 80 CO 0.06 0.35 0.57 -0.33 0.00 0.00 0.00 178.15 178.81 2cca h GLU 81 N 0.51 1.02 -0.62 2.37 5.08 -0.99 0.30 114.58 122.25 2cca h GLU 81 Ca 0.10 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2cca h GLU 81 Cb 0.52 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2cca h GLU 81 CO 0.03 0.68 0.09 1.49 -1.00 0.00 0.00 179.01 180.29 2cca h GLU 82 N 1.05 1.04 -0.60 2.33 4.81 -0.93 -2.81 114.58 119.48 2cca h GLU 82 Ca 0.35 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2cca h GLU 82 Cb 0.08 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2cca h GLU 82 CO -0.11 0.98 0.24 0.28 -0.73 0.00 0.00 179.01 179.66 2cca h VAL 83 N 0.95 1.23 -0.07 0.32 2.07 -0.48 -2.44 116.25 117.83 2cca h VAL 83 Ca 0.19 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2cca h VAL 83 Cb 0.45 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2cca h VAL 83 CO 0.01 0.28 -0.12 0.24 0.02 0.00 0.00 177.57 178.01 2cca h MET 84 N 0.83 0.10 -0.40 1.57 2.86 -0.83 -2.98 114.93 116.08 2cca h MET 84 Ca 0.20 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2cca h MET 84 Cb 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2cca h MET 84 CO -0.02 0.22 0.00 0.25 1.06 0.00 0.00 176.91 178.42 2cca n THR 85 N -4.35 0.85 -3.69 2.22 -2.24 -1.07 0.07 114.28 106.08 2cca n THR 85 Ca -0.02 -0.93 -0.37 0.00 -2.27 0.00 0.00 64.05 60.46 2cca n THR 85 Cb 0.22 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 68.97 2cca n THR 85 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cca s THR 86 N -1.03 3.80 0.30 4.28 2.01 -0.93 -4.92 115.64 119.15 2cca s THR 86 Ca 0.29 -2.66 -0.30 0.00 0.31 0.00 0.00 61.69 59.33 2cca s THR 86 Cb 0.15 -3.49 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 2cca s THR 86 CO 0.21 -0.84 1.60 -0.24 -0.69 0.00 0.00 174.62 174.65 2cca n SER 87 N 3.85 3.91 -4.69 3.53 2.88 -1.26 -4.93 113.62 116.91 2cca n SER 87 Ca 0.05 1.15 -0.35 0.00 -1.33 0.00 0.00 58.87 58.39 2cca n SER 87 Cb 0.39 -1.60 -0.09 0.00 -0.75 0.00 0.00 64.21 62.16 2cca n SER 87 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2cca s GLN 88 N -0.65 3.06 0.56 -1.46 -1.52 -1.26 -4.95 119.66 113.44 2cca s GLN 88 Ca 0.63 -0.39 0.33 0.00 -1.95 0.00 0.00 55.36 53.99 2cca s GLN 88 Cb -0.49 -2.84 1.60 0.00 -0.22 0.00 0.00 33.01 31.06 2cca s GLN 88 CO 0.50 0.69 2.09 -1.00 -0.25 0.00 0.00 175.29 177.31 2cca h PRO 89 N 5.23 0.00 -0.00 2.91 0.13 -1.99 -2.17 132.00 136.11 2cca h PRO 89 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2cca h PRO 89 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2cca h PRO 89 CO 0.55 0.06 -0.20 -2.67 -0.23 0.00 0.00 178.00 175.51 2cca n TRP 90 N -3.28 0.00 -2.77 1.56 4.27 -1.26 -4.34 117.44 111.62 2cca n TRP 90 Ca -0.01 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.53 2cca n TRP 90 Cb 0.24 -0.36 0.03 0.00 -1.36 0.00 0.00 31.31 29.87 2cca n TRP 90 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 2cca n TRP 91 N -1.41 -3.47 -1.69 -2.67 -0.00 -0.87 -4.95 117.44 102.39 2cca n TRP 91 Ca 0.08 -1.65 -0.41 0.00 -0.00 0.00 0.00 57.50 55.52 2cca n TRP 91 Cb 0.33 1.49 0.02 0.00 -0.00 0.00 0.00 31.31 33.14 2cca n TRP 91 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 2cca n PRO 92 N 2.15 1.76 -2.67 5.87 -0.02 -0.90 -4.43 135.00 136.76 2cca n PRO 92 Ca 0.13 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 2cca n PRO 92 Cb 0.60 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2cca n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cca s ALA 93 N -1.24 3.62 0.21 3.55 0.00 -1.26 -4.56 121.76 122.08 2cca s ALA 93 Ca 0.63 0.23 -0.32 0.00 0.00 0.00 0.00 51.96 52.50 2cca s ALA 93 Cb -0.50 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 18.96 2cca s ALA 93 CO 0.56 -0.94 1.39 -0.25 0.00 0.00 0.00 175.76 176.52 2cca n ASP 94 N 6.00 2.52 -1.52 0.00 8.00 -1.26 -1.23 116.55 129.05 2cca n ASP 94 Ca 0.11 1.13 -0.14 0.00 0.71 0.00 0.00 54.79 56.60 2cca n ASP 94 Cb 0.47 -1.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.13 2cca n ASP 94 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cca n TYR 95 N 2.07 -0.44 -2.35 1.24 4.02 -0.10 -1.07 117.16 120.53 2cca n TYR 95 Ca 0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.83 2cca n TYR 95 Cb 0.29 -2.72 -0.01 0.00 -0.02 0.00 0.00 39.34 36.88 2cca n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2cca n GLY 96 N -0.33 -0.38 2.97 2.72 0.00 -0.37 -4.99 105.19 104.81 2cca n GLY 96 Ca -0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2cca n GLY 96 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2cca s HIS 97 N -2.98 -0.56 -1.23 1.61 5.04 -0.23 -4.50 115.29 112.44 2cca s HIS 97 Ca 0.00 0.87 0.28 0.00 -1.54 0.00 0.00 55.06 54.67 2cca s HIS 97 Cb 0.00 -0.03 1.31 0.00 0.04 0.00 0.00 32.58 33.89 2cca s HIS 97 CO 0.00 -0.53 1.93 0.66 -2.34 0.00 0.00 174.74 174.46 2cca n TYR 98 N 5.35 0.00 -0.26 3.88 4.01 0.11 -4.35 117.16 125.91 2cca n TYR 98 Ca -0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.61 2cca n TYR 98 Cb 0.50 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 2cca n TYR 98 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2cca h GLY 99 N 4.69 -1.55 0.94 2.72 0.00 -1.94 -1.11 103.07 106.82 2cca h GLY 99 Ca 0.00 0.94 0.07 0.00 0.00 0.00 0.00 47.33 48.33 2cca h GLY 99 CO 0.00 -0.36 0.53 -2.55 0.00 0.00 0.00 176.54 174.15 2cca h PRO 100 N -0.01 0.84 -0.71 4.80 0.11 -1.88 -0.38 132.00 134.78 2cca h PRO 100 Ca 0.10 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.19 2cca h PRO 100 Cb 0.26 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 2cca h PRO 100 CO -0.58 0.56 0.44 1.25 -0.21 0.00 0.00 178.00 179.46 2cca h LEU 101 N 0.87 0.72 -1.22 2.35 5.85 -1.60 -2.15 115.31 120.14 2cca h LEU 101 Ca 0.35 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 2cca h LEU 101 Cb 0.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2cca h LEU 101 CO -0.12 0.50 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.83 2cca h PHE 102 N 0.86 0.03 -0.25 1.25 0.04 0.06 -0.96 116.94 117.97 2cca h PHE 102 Ca 0.29 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 2cca h PHE 102 Cb 0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2cca h PHE 102 CO -0.04 0.40 -0.03 0.82 -0.60 0.00 0.00 178.31 178.85 2cca h ILE 103 N 0.02 1.27 -0.79 -0.55 2.04 -0.76 -1.33 117.51 117.41 2cca h ILE 103 Ca -0.00 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2cca h ILE 103 Cb 0.68 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2cca h ILE 103 CO 0.05 0.31 0.40 -0.09 0.00 0.00 0.00 178.15 178.83 2cca h ARG 104 N 0.23 1.13 -0.11 2.37 2.43 -1.24 -0.06 114.38 119.13 2cca h ARG 104 Ca 0.07 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2cca h ARG 104 Cb 0.48 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2cca h ARG 104 CO 0.02 0.86 -0.06 1.98 -1.51 0.00 0.00 179.97 181.26 2cca h MET 105 N 1.11 -0.04 -0.44 0.20 4.05 -1.06 0.16 114.93 118.91 2cca h MET 105 Ca 0.28 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.58 2cca h MET 105 Cb 0.09 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 2cca h MET 105 CO -0.04 -0.03 -0.17 0.00 0.23 0.00 0.00 176.91 176.90 2cca h ALA 106 N 1.06 0.61 -0.60 0.39 0.00 -1.13 -0.42 119.26 119.17 2cca h ALA 106 Ca 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2cca h ALA 106 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2cca h ALA 106 CO -0.14 0.56 0.17 2.35 0.00 0.00 0.00 179.25 182.19 2cca h TRP 107 N 0.72 0.98 -0.29 0.00 2.91 -0.88 -1.63 115.95 117.76 2cca h TRP 107 Ca 0.10 -0.11 -0.11 0.00 1.13 0.00 0.00 58.89 59.90 2cca h TRP 107 Cb 0.73 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 2cca h TRP 107 CO 0.05 0.82 -0.29 0.45 -1.03 0.00 0.00 178.44 178.44 2cca h HIS 108 N 0.86 0.69 -0.47 2.65 3.86 -0.54 0.10 115.15 122.30 2cca h HIS 108 Ca 0.19 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2cca h HIS 108 Cb 0.31 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2cca h HIS 108 CO 0.02 0.83 0.31 0.00 0.86 0.00 0.00 177.93 179.95 2cca h ALA 109 N 1.16 0.60 0.00 2.45 0.00 -0.83 -2.84 119.26 119.80 2cca h ALA 109 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2cca h ALA 109 Cb 0.77 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2cca h ALA 109 CO 0.06 0.06 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 2cca h ALA 110 N 1.16 0.85 0.00 0.00 0.00 -1.22 -2.83 119.26 117.22 2cca h ALA 110 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cca h ALA 110 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2cca h ALA 110 CO -0.04 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2cca n GLY 111 N 1.16 -0.97 0.21 0.00 0.00 0.34 -2.80 105.19 103.13 2cca n GLY 111 Ca 0.03 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.02 2cca n GLY 111 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cca n THR 112 N -0.92 0.00 -1.92 2.61 -2.24 -1.25 -4.74 114.28 105.82 2cca n THR 112 Ca 0.20 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2cca n THR 112 Cb 0.09 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 2cca n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2cca s TYR 113 N -2.50 2.75 0.00 4.78 5.04 -1.12 -4.18 117.35 122.12 2cca s TYR 113 Ca 0.25 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2cca s TYR 113 Cb 0.19 -3.90 -0.00 0.00 0.35 0.00 0.00 41.96 38.60 2cca s TYR 113 CO 0.51 -2.58 -0.02 -0.98 -1.34 0.00 0.00 175.55 171.15 2cca s ARG 114 N -2.00 0.14 0.36 4.97 3.03 -0.54 -4.52 118.95 120.39 2cca s ARG 114 Ca 0.52 -0.16 0.18 0.00 2.03 0.00 0.00 55.73 58.30 2cca s ARG 114 Cb -0.44 -0.06 0.63 0.00 -1.03 0.00 0.00 34.95 34.05 2cca s ARG 114 CO 0.59 0.01 1.71 -0.84 -1.13 0.00 0.00 175.30 175.65 2cca h ILE 115 N 5.02 0.94 -0.71 4.99 3.07 -1.36 -0.15 117.51 129.31 2cca h ILE 115 Ca -0.26 -1.60 0.01 0.00 1.55 0.00 0.00 64.86 64.56 2cca h ILE 115 Cb 1.21 1.96 -0.04 0.00 -0.27 0.00 0.00 36.82 39.68 2cca h ILE 115 CO 0.49 0.40 0.47 -0.74 -1.05 0.00 0.00 178.15 177.71 2cca h HIS 116 N 0.00 0.88 0.00 0.16 2.76 -1.82 -3.28 115.15 113.85 2cca h HIS 116 Ca -0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2cca h HIS 116 Cb 0.93 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2cca h HIS 116 CO 0.00 0.54 0.00 -0.40 -1.30 0.00 0.00 177.93 176.77 2cca n ASP 117 N -4.61 0.57 0.00 3.26 5.75 -1.25 -4.87 116.55 115.41 2cca n ASP 117 Ca 0.07 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 2cca n ASP 117 Cb 0.04 0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2cca n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cca n GLY 118 N 0.25 0.47 3.88 6.12 0.00 -0.07 -4.67 105.19 111.17 2cca n GLY 118 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2cca n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cca s ARG 119 N -0.57 2.45 0.38 1.61 0.52 -1.24 -3.03 118.95 119.08 2cca s ARG 119 Ca 0.00 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 2cca s ARG 119 Cb 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2cca s ARG 119 CO 0.00 -1.30 0.00 0.41 0.02 0.00 0.00 175.30 174.43 2cca n GLY 120 N -3.01 -2.28 0.00 -3.53 0.00 -1.26 -1.47 105.19 93.64 2cca n GLY 120 Ca 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2cca n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cca n GLY 121 N -0.55 0.72 0.01 -0.02 0.00 -1.26 -4.53 105.19 99.56 2cca n GLY 121 Ca 0.00 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.10 2cca n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca n ALA 122 N 1.31 3.20 -0.36 4.61 0.00 -1.07 -4.53 120.51 123.68 2cca n ALA 122 Ca 0.00 -0.28 0.30 0.00 0.00 0.00 0.00 53.44 53.46 2cca n ALA 122 Cb 0.00 -1.21 0.62 0.00 0.00 0.00 0.00 19.45 18.87 2cca n ALA 122 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2cca h GLY 123 N 4.94 0.80 -0.34 0.00 0.00 -1.88 -2.17 103.07 104.42 2cca h GLY 123 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2cca h GLY 123 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.02 2cca n GLY 124 N -1.59 3.15 3.17 4.60 0.00 -1.26 -3.87 105.19 109.38 2cca n GLY 124 Ca 0.28 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2cca n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cca n GLY 125 N -0.35 -0.47 0.13 -0.02 0.00 -0.82 -3.82 105.19 99.84 2cca n GLY 125 Ca 0.05 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2cca n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cca n MET 126 N -4.25 0.19 0.25 1.61 2.00 -1.26 -2.73 117.12 112.93 2cca n MET 126 Ca -0.06 0.43 0.17 0.00 0.00 0.00 0.00 57.70 58.24 2cca n MET 126 Cb 0.59 -1.87 0.80 0.00 0.00 0.00 0.00 33.22 32.75 2cca n MET 126 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2cca h GLN 127 N 0.00 0.00 0.00 0.03 4.15 -1.90 -2.06 115.11 115.32 2cca h GLN 127 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2cca h GLN 127 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2cca h GLN 127 CO 0.00 0.00 -0.07 2.89 -1.93 0.00 0.00 178.83 179.72 2cca n ARG 128 N -2.78 0.16 -4.30 1.69 1.85 -1.10 -3.10 116.66 109.07 2cca n ARG 128 Ca -0.01 0.12 -0.25 0.00 -1.00 0.00 0.00 57.85 56.71 2cca n ARG 128 Cb 0.17 -1.67 -0.08 0.00 -1.05 0.00 0.00 32.46 29.83 2cca n ARG 128 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2cca s PHE 129 N -3.06 2.57 0.56 2.89 0.08 -0.78 -4.82 117.98 115.42 2cca s PHE 129 Ca 0.12 -0.47 -0.19 0.00 0.12 0.00 0.00 56.93 56.51 2cca s PHE 129 Cb 0.15 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 2cca s PHE 129 CO 0.59 0.42 1.15 0.00 -0.10 0.00 0.00 175.22 177.27 2cca s ALA 130 N -2.53 2.64 -0.98 5.36 0.00 -1.26 -0.96 121.76 124.03 2cca s ALA 130 Ca 0.36 0.85 0.26 0.00 0.00 0.00 0.00 51.96 53.43 2cca s ALA 130 Cb 0.01 -3.38 0.73 0.00 0.00 0.00 0.00 23.12 20.48 2cca s ALA 130 CO 0.20 -0.90 1.58 -0.35 0.00 0.00 0.00 175.76 176.29 2cca n PRO 131 N -1.45 0.02 -0.00 0.00 -0.04 -1.26 -4.70 135.00 127.56 2cca n PRO 131 Ca 0.12 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2cca n PRO 131 Cb 0.51 -1.51 0.39 0.00 -0.04 0.00 0.00 33.50 32.84 2cca n PRO 131 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2cca h LEU 132 N 0.00 0.48 0.00 1.53 3.38 -1.73 -1.34 115.31 117.62 2cca h LEU 132 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cca h LEU 132 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2cca h LEU 132 CO 0.00 0.40 0.00 -0.46 0.09 0.00 0.00 178.44 178.47 2cca n ASN 133 N -4.42 0.00 0.00 -0.43 2.04 -0.13 -2.92 115.26 109.40 2cca n ASN 133 Ca 0.03 0.37 0.00 0.00 -0.44 0.00 0.00 54.58 54.54 2cca n ASN 133 Cb 0.11 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 36.94 2cca n ASN 133 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2cca n SER 134 N -1.42 0.80 -4.71 0.53 7.64 -0.53 -4.62 113.62 111.30 2cca n SER 134 Ca 0.03 -1.18 -0.41 0.00 1.01 0.00 0.00 58.87 58.32 2cca n SER 134 Cb 0.10 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.31 2cca n SER 134 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2cca n TRP 135 N -0.09 2.28 -0.30 1.43 7.02 -1.06 -4.85 117.44 121.88 2cca n TRP 135 Ca 0.00 0.50 0.08 0.00 -1.02 0.00 0.00 57.50 57.06 2cca n TRP 135 Cb 0.17 -2.40 0.23 0.00 -2.42 0.00 0.00 31.31 26.89 2cca n TRP 135 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 2cca h PRO 136 N 2.26 0.59 0.00 -0.99 0.11 -1.92 -0.28 132.00 131.77 2cca h PRO 136 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2cca h PRO 136 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2cca h PRO 136 CO 0.61 0.39 0.00 -0.44 -0.21 0.00 0.00 178.00 178.34 2cca h ASP 137 N 0.60 0.00 -0.60 -2.05 5.19 -1.81 -2.57 116.42 115.19 2cca h ASP 137 Ca 0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 2cca h ASP 137 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2cca h ASP 137 CO -0.38 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.33 2cca n ASN 138 N -2.78 4.93 -4.61 6.45 3.02 -0.12 -4.97 115.26 117.19 2cca n ASN 138 Ca 0.00 -2.59 -0.43 0.00 -0.03 0.00 0.00 54.58 51.53 2cca n ASN 138 Cb 0.22 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2cca n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cca n ALA 139 N 0.91 0.14 0.00 5.41 0.00 -0.97 -2.00 120.51 124.00 2cca n ALA 139 Ca 0.25 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2cca n ALA 139 Cb 0.97 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2cca n ALA 139 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cca n SER 140 N 0.86 0.00 0.07 0.00 7.64 -1.26 -4.78 113.62 116.15 2cca n SER 140 Ca 0.09 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.08 2cca n SER 140 Cb 0.36 -0.55 0.45 0.00 -1.01 0.00 0.00 64.21 63.46 2cca n SER 140 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cca n LEU 141 N 0.00 0.42 -0.19 -3.43 4.77 -0.84 -2.26 117.00 115.48 2cca n LEU 141 Ca 0.00 0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 56.47 2cca n LEU 141 Cb 0.00 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 2cca n LEU 141 CO 0.00 -0.29 0.93 -2.24 -1.33 0.00 0.00 177.39 174.46 2cca h ASP 142 N 0.00 0.76 -0.20 -1.43 2.03 -1.87 -1.26 116.42 114.46 2cca h ASP 142 Ca 0.00 -0.20 -0.18 0.00 -0.73 0.00 0.00 57.03 55.92 2cca h ASP 142 Cb 0.46 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 2cca h ASP 142 CO 0.00 0.76 -0.56 0.11 -1.03 0.00 0.00 179.24 178.51 2cca h LYS 143 N 0.72 0.79 -0.22 4.15 1.57 -1.87 -2.48 116.57 119.24 2cca h LYS 143 Ca 0.17 -0.51 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2cca h LYS 143 Cb 0.26 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2cca h LYS 143 CO -0.01 1.14 -0.06 0.00 -0.57 0.00 0.00 179.45 179.96 2cca h ALA 144 N 0.75 0.14 -0.58 3.86 0.00 -1.33 -1.07 119.26 121.03 2cca h ALA 144 Ca 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2cca h ALA 144 Cb 1.16 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2cca h ALA 144 CO 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 179.25 178.92 2cca h ARG 145 N -0.00 0.98 -0.85 0.00 3.08 -1.29 -3.04 114.38 113.27 2cca h ARG 145 Ca 0.11 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2cca h ARG 145 Cb 0.16 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2cca h ARG 145 CO -0.23 0.95 0.53 -0.09 -1.07 0.00 0.00 179.97 180.07 2cca h ARG 146 N 0.91 1.14 -0.19 0.04 9.65 -0.98 -1.83 114.38 123.12 2cca h ARG 146 Ca 0.17 -0.09 0.06 0.00 -1.10 0.00 0.00 59.98 59.02 2cca h ARG 146 Cb 0.49 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2cca h ARG 146 CO 0.02 0.78 0.23 -0.07 2.80 0.00 0.00 179.97 183.73 2cca h LEU 147 N 1.16 0.00 -1.31 3.80 3.38 -1.08 -1.90 115.31 119.35 2cca h LEU 147 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2cca h LEU 147 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2cca h LEU 147 CO -0.06 0.00 -0.06 0.18 0.09 0.00 0.00 178.44 178.59 2cca n LEU 148 N -3.74 2.10 -0.20 1.67 4.77 -0.69 -4.34 117.00 116.56 2cca n LEU 148 Ca 0.02 -0.70 0.01 0.00 -0.03 0.00 0.00 56.01 55.31 2cca n LEU 148 Cb 0.35 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 41.55 2cca n LEU 148 CO 0.27 0.36 0.93 -0.25 -1.33 0.00 0.00 177.39 177.37 2cca h TRP 149 N 3.20 0.25 -1.03 -1.77 2.91 -1.36 -1.59 115.95 116.57 2cca h TRP 149 Ca 0.00 0.04 0.26 0.00 1.13 0.00 0.00 58.89 60.31 2cca h TRP 149 Cb 0.72 -0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 29.27 2cca h TRP 149 CO 0.00 -0.01 0.67 -1.35 -1.03 0.00 0.00 178.44 176.71 2cca h PRO 150 N 0.29 0.37 0.00 2.65 0.11 -1.81 0.50 132.00 134.11 2cca h PRO 150 Ca 0.32 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 2cca h PRO 150 Cb 0.48 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2cca h PRO 150 CO -0.40 0.25 -0.00 0.28 -0.21 0.00 0.00 178.00 177.92 2cca h VAL 151 N 0.38 1.50 -0.63 3.15 2.07 -1.61 -2.53 116.25 118.58 2cca h VAL 151 Ca 0.57 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2cca h VAL 151 Cb 1.48 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 33.71 2cca h VAL 151 CO -0.27 0.39 0.35 0.50 0.02 0.00 0.00 177.57 178.55 2cca h LYS 152 N -0.64 0.63 -0.79 1.57 1.63 -0.81 -1.74 116.57 116.41 2cca h LYS 152 Ca -0.00 -0.04 0.13 0.00 -0.85 0.00 0.00 60.65 59.89 2cca h LYS 152 Cb 0.63 -0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 32.04 2cca h LYS 152 CO 0.00 0.42 0.39 -0.22 -3.45 0.00 0.00 179.45 176.59 2cca h LYS 153 N 0.65 0.58 -0.12 1.90 3.64 -0.08 0.26 116.57 123.42 2cca h LYS 153 Ca 0.28 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.39 2cca h LYS 153 Cb 0.16 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2cca h LYS 153 CO -0.17 0.39 -0.82 -0.22 -2.27 0.00 0.00 179.45 176.35 2cca h LYS 154 N 0.60 0.73 0.00 1.90 3.64 -0.93 -3.34 116.57 119.17 2cca h LYS 154 Ca 0.42 -0.63 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 2cca h LYS 154 Cb 0.55 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2cca h LYS 154 CO -0.33 1.24 -1.87 0.66 -2.27 0.00 0.00 179.45 176.87 2cca n TYR 155 N -3.91 0.27 0.00 1.91 4.02 -0.72 -5.01 117.16 113.72 2cca n TYR 155 Ca -0.08 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2cca n TYR 155 Cb 0.77 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2cca n TYR 155 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2cca n GLY 156 N 1.38 3.78 0.28 2.72 0.00 0.91 -1.93 105.19 112.34 2cca n GLY 156 Ca -0.11 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.10 2cca n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cca h LYS 157 N 0.00 0.00 0.00 1.61 1.57 -1.95 -2.07 116.57 115.73 2cca h LYS 157 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cca h LYS 157 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2cca h LYS 157 CO 0.00 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 2cca n LYS 158 N -3.83 0.26 -3.62 3.15 5.02 -0.81 -4.68 118.16 113.65 2cca n LYS 158 Ca -0.03 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 2cca n LYS 158 Cb 0.13 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 2cca n LYS 158 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2cca s LEU 159 N -2.70 -0.07 0.50 -0.35 2.96 -0.78 -3.84 118.68 114.40 2cca s LEU 159 Ca 0.21 0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 2cca s LEU 159 Cb 0.17 0.29 -0.08 0.00 0.50 0.00 0.00 46.19 47.07 2cca s LEU 159 CO 0.42 -0.27 0.99 -0.94 -1.32 0.00 0.00 176.35 175.23 2cca s SER 160 N 2.30 6.59 0.31 3.68 1.04 -1.26 -4.64 113.70 121.71 2cca s SER 160 Ca 0.04 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.12 2cca s SER 160 Cb -0.13 -2.52 0.54 0.00 0.10 0.00 0.00 66.02 64.00 2cca s SER 160 CO -0.08 -0.61 1.93 -0.50 0.98 0.00 0.00 173.24 174.97 2cca h TRP 161 N 1.14 1.00 -0.01 5.02 4.06 -1.94 -0.59 115.95 124.63 2cca h TRP 161 Ca -0.47 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.53 2cca h TRP 161 Cb 1.19 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.98 2cca h TRP 161 CO 0.62 0.56 -0.15 0.00 -3.56 0.00 0.00 178.44 175.91 2cca h ALA 162 N 1.52 -0.17 -0.49 1.49 0.00 -1.87 0.31 119.26 120.05 2cca h ALA 162 Ca 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2cca h ALA 162 Cb 0.11 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2cca h ALA 162 CO -0.12 -0.64 0.16 -0.44 0.00 0.00 0.00 179.25 178.21 2cca h ASP 163 N -0.25 0.70 -0.51 0.00 3.32 -1.69 -3.28 116.42 114.71 2cca h ASP 163 Ca 0.05 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 2cca h ASP 163 Cb 0.32 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2cca h ASP 163 CO -0.15 0.72 0.21 0.25 -1.72 0.00 0.00 179.24 178.54 2cca h LEU 164 N 0.65 0.70 -0.41 1.55 5.85 -0.73 -0.18 115.31 122.74 2cca h LEU 164 Ca 0.16 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2cca h LEU 164 Cb 0.27 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2cca h LEU 164 CO -0.01 0.67 0.18 0.40 -0.34 0.00 0.00 178.44 179.34 2cca h ILE 165 N 0.68 0.92 0.00 4.05 2.04 -1.01 -0.19 117.51 124.01 2cca h ILE 165 Ca 0.17 -0.12 -0.21 0.00 1.00 0.00 0.00 64.86 65.70 2cca h ILE 165 Cb 0.19 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2cca h ILE 165 CO -0.01 0.07 -1.02 -0.37 0.00 0.00 0.00 178.15 176.81 2cca h VAL 166 N 0.36 1.54 -0.33 1.67 -1.51 -1.61 -3.22 116.25 113.16 2cca h VAL 166 Ca 0.18 -3.23 -0.10 0.00 -1.23 0.00 0.00 66.70 62.32 2cca h VAL 166 Cb 0.13 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2cca h VAL 166 CO -0.16 0.88 -0.23 0.15 -1.23 0.00 0.00 177.57 176.98 2cca h PHE 167 N 0.00 0.71 -0.59 5.19 3.57 -0.82 -1.79 116.94 123.21 2cca h PHE 167 Ca -0.04 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.35 2cca h PHE 167 Cb 1.75 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.27 2cca h PHE 167 CO 0.00 0.81 0.34 0.00 -2.23 0.00 0.00 178.31 177.23 2cca h ALA 168 N 1.19 0.77 -0.41 2.41 0.00 -1.10 0.30 119.26 122.43 2cca h ALA 168 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2cca h ALA 168 Cb 0.69 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2cca h ALA 168 CO 0.05 0.04 0.17 0.78 0.00 0.00 0.00 179.25 180.30 2cca h GLY 169 N 0.66 0.54 0.98 0.00 0.00 -1.52 -0.16 103.07 103.57 2cca h GLY 169 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2cca h GLY 169 CO -0.13 0.06 0.26 -0.57 0.00 0.00 0.00 176.54 176.16 2cca h ASN 170 N 0.36 0.72 -0.52 0.19 -1.24 -0.59 -2.31 115.58 112.18 2cca h ASN 170 Ca 0.18 -0.14 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 2cca h ASN 170 Cb 0.13 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 2cca h ASN 170 CO -0.16 0.66 0.14 0.00 -1.29 0.00 0.00 177.43 176.78 2cca h ALA 172 N 1.31 0.20 -0.38 0.00 0.00 -0.69 0.15 119.26 119.84 2cca h ALA 172 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2cca h ALA 172 Cb 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2cca h ALA 172 CO -0.00 -0.35 0.11 -0.07 0.00 0.00 0.00 179.25 178.94 2cca h LEU 173 N 0.18 0.09 -0.59 0.00 3.38 -1.27 -2.22 115.31 114.89 2cca h LEU 173 Ca 0.07 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2cca h LEU 173 Cb 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2cca h LEU 173 CO -0.04 0.09 0.14 -0.33 0.09 0.00 0.00 178.44 178.39 2cca h GLU 174 N 0.25 0.94 0.00 1.13 4.39 -1.03 -0.46 114.58 119.81 2cca h GLU 174 Ca 0.18 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2cca h GLU 174 Cb 0.18 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2cca h GLU 174 CO -0.20 0.87 -0.01 1.03 -1.16 0.00 0.00 179.01 179.53 2cca h SER 175 N 0.85 0.00 -0.46 1.42 0.87 -0.43 -2.74 113.55 113.06 2cca h SER 175 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2cca h SER 175 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2cca h SER 175 CO 0.00 0.01 0.00 0.23 -0.53 0.00 0.00 176.83 176.55 2cca n MET 176 N -4.33 3.31 0.00 2.24 2.81 -0.86 -4.94 117.12 115.34 2cca n MET 176 Ca -0.03 -2.65 0.00 0.00 -1.81 0.00 0.00 57.70 53.21 2cca n MET 176 Cb 0.10 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 2cca n MET 176 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cca n GLY 177 N 0.49 1.00 3.43 3.03 0.00 -1.03 -0.80 105.19 111.31 2cca n GLY 177 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2cca n GLY 177 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cca s PHE 178 N -2.00 3.09 -0.31 1.61 5.36 -0.22 -4.80 117.98 120.71 2cca s PHE 178 Ca 0.00 -0.52 -0.28 0.00 -0.96 0.00 0.00 56.93 55.17 2cca s PHE 178 Cb 0.00 -2.24 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 2cca s PHE 178 CO 0.00 -0.40 1.01 0.21 -1.46 0.00 0.00 175.22 174.58 2cca s LYS 179 N 1.59 4.07 0.67 10.12 2.47 -1.26 -2.98 119.74 134.42 2cca s LYS 179 Ca 0.06 1.01 -0.08 0.00 -1.56 0.00 0.00 55.97 55.39 2cca s LYS 179 Cb -0.15 -3.72 0.03 0.00 -1.46 0.00 0.00 37.83 32.52 2cca s LYS 179 CO 0.03 -0.82 1.01 0.95 0.16 0.00 0.00 175.35 176.68 2cca s THR 180 N 3.45 3.17 0.15 3.43 -4.23 -1.26 -4.89 115.64 115.47 2cca s THR 180 Ca 0.43 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 61.18 2cca s THR 180 Cb -0.13 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.44 2cca s THR 180 CO 0.14 -0.38 1.64 0.15 -0.54 0.00 0.00 174.62 175.62 2cca h PHE 181 N -0.49 0.00 0.00 3.99 3.57 -1.96 -3.49 116.94 118.55 2cca h PHE 181 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2cca h PHE 181 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2cca h PHE 181 CO 0.44 0.50 0.00 0.41 -2.23 0.00 0.00 178.31 177.42 2cca n GLY 182 N 0.43 -0.44 3.64 2.40 0.00 -1.26 -4.63 105.19 105.33 2cca n GLY 182 Ca -0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2cca n GLY 182 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cca s PHE 183 N -1.78 -0.86 -0.14 1.61 5.36 -0.53 -4.93 117.98 116.70 2cca s PHE 183 Ca 0.00 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 2cca s PHE 183 Cb 0.00 0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 43.11 2cca s PHE 183 CO 0.00 -0.42 -0.14 0.20 -1.46 0.00 0.00 175.22 173.40 2cca s GLY 184 N 0.98 1.51 0.77 13.12 0.00 -1.26 -2.66 107.32 119.77 2cca s GLY 184 Ca -0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 2cca s GLY 184 CO -0.10 -0.10 1.08 -1.36 0.00 0.00 0.00 173.10 172.62 2cca s PHE 185 N 0.54 2.36 0.00 1.90 0.08 0.21 -4.72 117.98 118.35 2cca s PHE 185 Ca -0.09 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.24 2cca s PHE 185 Cb -0.16 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2cca s PHE 185 CO 0.04 -1.75 0.00 0.41 -0.10 0.00 0.00 175.22 173.82 2cca n GLY 186 N -3.10 0.53 3.66 4.36 0.00 -1.26 -0.87 105.19 108.51 2cca n GLY 186 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2cca n GLY 186 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cca s ARG 187 N 0.00 4.16 0.04 1.61 0.52 -1.26 -4.94 118.95 119.08 2cca s ARG 187 Ca 0.00 1.81 -0.24 0.00 -0.52 0.00 0.00 55.73 56.78 2cca s ARG 187 Cb 0.00 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2cca s ARG 187 CO 0.00 -0.82 0.75 0.08 0.02 0.00 0.00 175.30 175.32 2cca s VAL 188 N 3.87 4.76 0.37 3.52 1.01 -1.25 -4.21 120.40 128.46 2cca s VAL 188 Ca 0.62 1.59 -0.26 0.00 0.00 0.00 0.00 61.98 63.93 2cca s VAL 188 Cb -0.25 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 2cca s VAL 188 CO 0.21 0.37 1.12 -1.81 0.00 0.00 0.00 175.10 174.99 2cca s ASP 189 N -0.04 6.80 0.42 3.32 1.01 -1.26 -4.49 116.67 122.41 2cca s ASP 189 Ca 0.38 2.25 0.07 0.00 0.71 0.00 0.00 52.55 55.96 2cca s ASP 189 Cb -0.20 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.07 2cca s ASP 189 CO 0.22 -0.48 0.18 -1.10 0.21 0.00 0.00 175.17 174.21 2cca s GLN 190 N -2.11 2.22 0.00 8.23 -0.21 -1.25 -5.07 119.66 121.47 2cca s GLN 190 Ca 0.54 -1.85 0.00 0.00 0.02 0.00 0.00 55.36 54.06 2cca s GLN 190 Cb -0.29 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.74 2cca s GLN 190 CO 0.36 -0.12 0.05 0.91 -2.12 0.00 0.00 175.29 174.37 2cca n TRP 191 N -1.24 0.00 -4.01 0.91 7.02 -1.26 -4.98 117.44 113.87 2cca n TRP 191 Ca -0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.38 2cca n TRP 191 Cb 0.65 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.43 2cca n TRP 191 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2cca s GLU 192 N -0.88 0.39 0.31 -0.99 -1.05 -1.26 -5.05 118.70 110.18 2cca s GLU 192 Ca 0.00 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 2cca s GLU 192 Cb 0.00 0.10 -0.11 0.00 -0.44 0.00 0.00 34.13 33.69 2cca s GLU 192 CO 0.00 -0.06 1.43 -1.25 0.95 0.00 0.00 175.26 176.34 2cca s PRO 193 N -1.99 4.23 0.05 -4.83 0.04 -1.26 -4.88 135.00 126.35 2cca s PRO 193 Ca -0.11 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2cca s PRO 193 Cb -0.06 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 2cca s PRO 193 CO -0.03 -0.41 1.71 0.34 0.04 0.00 0.00 177.00 178.65 2cca s ASP 194 N -0.01 6.58 -0.43 6.66 3.68 -1.26 -4.97 116.67 126.92 2cca s ASP 194 Ca 0.55 2.49 -0.27 0.00 2.13 0.00 0.00 52.55 57.46 2cca s ASP 194 Cb -0.43 -2.55 0.02 0.00 -1.45 0.00 0.00 42.92 38.51 2cca s ASP 194 CO 0.52 -0.92 0.99 -1.61 0.13 0.00 0.00 175.17 174.28 2cca s GLU 195 N 3.09 3.70 0.02 4.34 2.02 -1.26 -4.94 118.70 125.67 2cca s GLU 195 Ca 0.76 0.44 0.07 0.00 0.02 0.00 0.00 54.97 56.26 2cca s GLU 195 Cb -0.40 -3.88 -0.02 0.00 0.10 0.00 0.00 34.13 29.94 2cca s GLU 195 CO 0.33 -1.17 -0.21 0.08 0.02 0.00 0.00 175.26 174.32 2cca s VAL 196 N 3.85 1.66 -0.42 2.63 1.01 -1.26 -5.10 120.40 122.76 2cca s VAL 196 Ca 0.41 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2cca s VAL 196 Cb -0.10 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2cca s VAL 196 CO 0.25 0.31 1.31 -0.47 0.00 0.00 0.00 175.10 176.49 2cca s TYR 197 N -0.68 2.57 -2.60 5.22 5.04 -1.26 -4.86 117.35 120.77 2cca s TYR 197 Ca 0.08 0.71 0.21 0.00 -2.44 0.00 0.00 57.07 55.63 2cca s TYR 197 Cb -0.08 -4.31 0.15 0.00 0.35 0.00 0.00 41.96 38.07 2cca s TYR 197 CO 0.01 -1.71 1.16 0.91 -1.34 0.00 0.00 175.55 174.58 2cca n TRP 198 N 8.39 0.00 0.00 4.97 7.02 -1.26 -4.92 117.44 131.64 2cca n TRP 198 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2cca n TRP 198 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 2cca n TRP 198 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2cca n GLY 199 N 1.21 3.33 0.02 6.99 0.00 -1.26 -4.84 105.19 110.64 2cca n GLY 199 Ca 0.12 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2cca n GLY 199 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cca n LYS 200 N -1.73 0.09 -2.18 1.61 2.85 -1.26 -4.93 118.16 112.61 2cca n LYS 200 Ca 0.00 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 2cca n LYS 200 Cb 0.00 -1.55 -0.03 0.00 -0.65 0.00 0.00 35.03 32.80 2cca n LYS 200 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2cca s GLU 201 N -3.05 4.33 -0.09 -1.58 8.01 -1.26 -4.91 118.70 120.14 2cca s GLU 201 Ca 0.10 2.07 0.18 0.00 0.01 0.00 0.00 54.97 57.33 2cca s GLU 201 Cb 0.16 -3.24 0.66 0.00 -4.31 0.00 0.00 34.13 27.40 2cca s GLU 201 CO 0.69 -0.41 1.57 0.00 0.01 0.00 0.00 175.26 177.11 2cca n ALA 202 N 3.78 2.90 -2.95 5.21 0.00 -1.26 -4.86 120.51 123.34 2cca n ALA 202 Ca 0.11 -1.58 -0.29 0.00 0.00 0.00 0.00 53.44 51.68 2cca n ALA 202 Cb 0.42 -0.92 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 2cca n ALA 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2cca s THR 203 N -1.74 1.80 0.29 0.00 2.01 -1.26 -5.09 115.64 111.65 2cca s THR 203 Ca 0.47 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2cca s THR 203 Cb 0.30 -1.54 -0.12 0.00 0.01 0.00 0.00 72.50 71.15 2cca s THR 203 CO 0.24 0.50 1.54 0.79 -0.69 0.00 0.00 174.62 177.00 2cca n TRP 204 N 3.20 2.72 -0.88 4.92 7.02 -1.26 -1.15 117.44 132.01 2cca n TRP 204 Ca -0.18 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 2cca n TRP 204 Cb 0.52 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.85 2cca n TRP 204 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2cca n LEU 205 N 1.97 0.43 -4.72 -0.99 4.77 0.19 -4.98 117.00 113.67 2cca n LEU 205 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 2cca n LEU 205 Cb 0.36 -0.95 0.10 0.00 -2.33 0.00 0.00 43.42 40.60 2cca n LEU 205 CO 0.64 -0.31 0.77 -0.83 -1.33 0.00 0.00 177.39 176.33 2cca s GLY 206 N -2.00 2.18 -0.21 -0.72 0.00 -0.30 -4.44 107.32 101.83 2cca s GLY 206 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 44.72 45.45 2cca s GLY 206 CO 0.00 1.18 0.12 -0.35 0.00 0.00 0.00 173.10 174.05 2cca s ASP 207 N -2.25 2.53 -0.20 1.64 3.68 -1.26 -1.09 116.67 119.71 2cca s ASP 207 Ca 0.72 -0.75 0.21 0.00 2.13 0.00 0.00 52.55 54.86 2cca s ASP 207 Cb -0.27 -0.18 0.48 0.00 -1.45 0.00 0.00 42.92 41.49 2cca s ASP 207 CO 0.48 -0.37 1.14 -0.62 0.13 0.00 0.00 175.17 175.93 2cca n GLU 208 N 5.28 1.58 -0.08 4.34 1.02 -1.26 -4.90 120.64 126.62 2cca n GLU 208 Ca -0.06 -3.23 0.07 0.00 -0.02 0.00 0.00 57.16 53.92 2cca n GLU 208 Cb 0.47 -1.32 0.11 0.00 -0.02 0.00 0.00 31.44 30.68 2cca n GLU 208 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2cca n ARG 209 N -0.38 1.88 -4.97 3.49 1.85 -1.26 -4.92 116.66 112.34 2cca n ARG 209 Ca 0.13 -2.30 -0.28 0.00 -1.00 0.00 0.00 57.85 54.40 2cca n ARG 209 Cb 0.90 -1.38 -0.15 0.00 -1.05 0.00 0.00 32.46 30.77 2cca n ARG 209 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2cca s TYR 210 N -2.33 1.95 0.26 2.89 1.51 -1.26 -0.21 117.35 120.16 2cca s TYR 210 Ca 0.24 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 2cca s TYR 210 Cb 0.21 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 2cca s TYR 210 CO 0.03 0.01 0.16 -1.54 -1.11 0.00 0.00 175.55 173.10 2cca s SER 211 N -0.71 0.99 0.80 2.29 1.04 -0.77 -4.98 113.70 112.35 2cca s SER 211 Ca 0.08 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.00 2cca s SER 211 Cb -0.09 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2cca s SER 211 CO -0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2cca n GLY 212 N -0.46 2.07 0.15 7.32 0.00 -1.26 -1.12 105.19 111.89 2cca n GLY 212 Ca 0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 2cca n GLY 212 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cca h LYS 213 N 0.00 -0.34 -0.38 1.61 3.64 -2.06 -3.42 116.57 115.61 2cca h LYS 213 Ca 0.00 0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.13 2cca h LYS 213 Cb 0.00 0.08 -0.23 0.00 -0.41 0.00 0.00 32.23 31.67 2cca h LYS 213 CO 0.00 -0.23 -0.63 -2.13 -2.27 0.00 0.00 179.45 174.20 2cca n ARG 214 N -3.27 1.14 -2.76 1.90 0.63 -1.25 -5.11 116.66 107.94 2cca n ARG 214 Ca -0.04 -2.29 -0.43 0.00 -0.92 0.00 0.00 57.85 54.17 2cca n ARG 214 Cb 0.14 -0.62 -0.03 0.00 0.45 0.00 0.00 32.46 32.40 2cca n ARG 214 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2cca s ASP 215 N -1.75 6.78 0.09 6.15 1.01 -0.27 -4.95 116.67 123.73 2cca s ASP 215 Ca 0.25 0.78 -0.30 0.00 0.71 0.00 0.00 52.55 53.99 2cca s ASP 215 Cb 0.39 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 2cca s ASP 215 CO -0.05 -0.82 0.96 -0.22 0.21 0.00 0.00 175.17 175.24 2cca s LEU 216 N 3.46 4.47 0.01 1.23 2.96 -1.26 -1.85 118.68 127.70 2cca s LEU 216 Ca 0.40 1.76 -0.34 0.00 -0.22 0.00 0.00 54.13 55.73 2cca s LEU 216 Cb -0.12 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 2cca s LEU 216 CO 0.16 -0.10 1.79 1.21 -1.32 0.00 0.00 176.35 178.09 2cca n GLU 217 N 2.99 2.23 -2.33 1.98 2.13 0.71 -4.90 120.64 123.45 2cca n GLU 217 Ca 0.03 0.81 -0.39 0.00 0.66 0.00 0.00 57.16 58.27 2cca n GLU 217 Cb 0.50 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.53 2cca n GLU 217 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2cca s ASN 218 N 3.01 6.81 -0.13 4.31 0.02 -1.26 -0.80 114.94 126.89 2cca s ASN 218 Ca 0.88 2.36 0.11 0.00 -1.02 0.00 0.00 52.86 55.19 2cca s ASN 218 Cb -0.67 -2.62 0.56 0.00 0.02 0.00 0.00 41.25 38.54 2cca s ASN 218 CO 0.46 -0.48 1.38 -0.81 0.02 0.00 0.00 177.10 177.68 2cca n PRO 219 N 0.52 3.46 -2.04 -0.60 -0.04 -1.26 -5.05 135.00 130.00 2cca n PRO 219 Ca 0.02 -2.16 -0.33 0.00 -0.04 0.00 0.00 63.50 60.99 2cca n PRO 219 Cb 0.45 -1.92 0.01 0.00 -0.04 0.00 0.00 33.50 32.01 2cca n PRO 219 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cca s LEU 220 N -1.76 3.52 -0.03 1.53 1.43 0.02 -4.60 118.68 118.80 2cca s LEU 220 Ca 0.38 1.88 0.04 0.00 -1.03 0.00 0.00 54.13 55.40 2cca s LEU 220 Cb 0.27 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 42.01 2cca s LEU 220 CO 0.14 -1.24 1.02 0.00 0.23 0.00 0.00 176.35 176.50 2cca n ALA 221 N -1.99 2.02 -2.65 4.21 0.00 -1.26 -4.83 120.51 116.01 2cca n ALA 221 Ca 0.09 -1.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.06 2cca n ALA 221 Cb 0.52 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.41 2cca n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cca s ALA 222 N -0.60 0.99 -0.33 0.00 0.00 -1.26 -4.62 121.76 115.94 2cca s ALA 222 Ca 0.07 -1.02 0.21 0.00 0.00 0.00 0.00 51.96 51.22 2cca s ALA 222 Cb 0.06 -0.01 0.19 0.00 0.00 0.00 0.00 23.12 23.36 2cca s ALA 222 CO 0.01 0.04 1.41 -0.39 0.00 0.00 0.00 175.76 176.82 2cca h VAL 223 N 4.05 0.15 -3.91 0.00 -1.51 -1.27 -3.46 116.25 110.30 2cca h VAL 223 Ca -0.38 -1.22 -0.11 0.00 -1.23 0.00 0.00 66.70 63.75 2cca h VAL 223 Cb 1.19 1.94 -0.16 0.00 -2.13 0.00 0.00 31.29 32.13 2cca h VAL 223 CO 0.45 0.08 -0.52 -1.10 -1.23 0.00 0.00 177.57 175.26 2cca s GLN 224 N -3.20 0.67 -0.09 5.19 -0.21 -1.26 -4.83 119.66 115.93 2cca s GLN 224 Ca 0.04 -0.93 -0.29 0.00 0.02 0.00 0.00 55.36 54.20 2cca s GLN 224 Cb 0.07 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 34.28 2cca s GLN 224 CO 0.72 -0.17 1.69 1.41 -2.12 0.00 0.00 175.29 176.81 2cca s MET 225 N -3.30 4.05 0.00 2.91 -2.45 -0.25 -2.65 119.30 117.61 2cca s MET 225 Ca 0.01 2.10 0.00 0.00 -1.25 0.00 0.00 55.69 56.55 2cca s MET 225 Cb 0.03 -4.02 0.00 0.00 1.25 0.00 0.00 34.83 32.09 2cca s MET 225 CO -0.08 -1.00 0.00 0.41 1.05 0.00 0.00 175.02 175.40 2cca n GLY 226 N 4.33 0.78 3.91 2.11 0.00 -1.26 0.57 105.19 115.63 2cca n GLY 226 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2cca n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cca s LEU 227 N 0.00 4.26 -0.04 0.99 1.43 -1.09 -2.33 118.68 121.90 2cca s LEU 227 Ca 0.00 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2cca s LEU 227 Cb 0.00 -2.85 -0.11 0.00 0.03 0.00 0.00 46.19 43.26 2cca s LEU 227 CO 0.00 0.09 0.71 0.40 0.23 0.00 0.00 176.35 177.79 2cca h ILE 228 N 1.86 0.32 0.00 -0.59 1.08 -1.90 -3.45 117.51 114.83 2cca h ILE 228 Ca -0.47 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 2cca h ILE 228 Cb 1.18 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2cca h ILE 228 CO 0.70 0.08 0.00 -1.22 -0.69 0.00 0.00 178.15 177.02 2cca n TYR 229 N -5.05 0.00 -4.51 1.37 4.02 -1.26 -4.47 117.16 107.26 2cca n TYR 229 Ca -0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.58 2cca n TYR 229 Cb 0.23 0.11 -0.11 0.00 -0.02 0.00 0.00 39.34 39.55 2cca n TYR 229 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2cca s VAL 230 N -0.53 1.94 -0.17 -0.72 -7.23 -1.26 -0.75 120.40 111.68 2cca s VAL 230 Ca 0.00 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 2cca s VAL 230 Cb 0.00 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2cca s VAL 230 CO 0.00 -0.18 1.12 0.21 -0.31 0.00 0.00 175.10 175.93 2cca s ASN 231 N -3.56 7.08 0.05 4.85 3.84 -1.26 -4.93 114.94 121.00 2cca s ASN 231 Ca 0.32 1.54 0.14 0.00 0.21 0.00 0.00 52.86 55.08 2cca s ASN 231 Cb 0.05 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.80 2cca s ASN 231 CO 0.15 -0.65 1.44 -0.81 -2.79 0.00 0.00 177.10 174.44 2cca n PRO 232 N 6.04 0.03 -0.38 0.43 -0.04 -1.26 -1.30 135.00 138.52 2cca n PRO 232 Ca 0.12 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2cca n PRO 232 Cb 0.46 -1.57 0.30 0.00 -0.04 0.00 0.00 33.50 32.65 2cca n PRO 232 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cca n GLU 233 N -1.64 2.73 0.00 0.54 1.02 -1.26 -3.70 120.64 118.33 2cca n GLU 233 Ca 0.03 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 2cca n GLU 233 Cb 0.15 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2cca n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cca n GLY 234 N 1.49 0.08 3.67 0.62 0.00 -0.42 -1.60 105.19 109.02 2cca n GLY 234 Ca 0.23 -1.80 -0.48 0.00 0.00 0.00 0.00 46.02 43.97 2cca n GLY 234 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cca n PRO 235 N 0.27 2.07 -1.96 1.61 -0.02 -1.20 -0.68 135.00 135.09 2cca n PRO 235 Ca 0.00 0.75 -0.15 0.00 -2.02 0.00 0.00 63.50 62.09 2cca n PRO 235 Cb 0.00 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 2cca n PRO 235 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2cca n ASN 236 N 4.60 -4.14 0.00 2.55 3.02 -1.26 -0.66 115.26 119.37 2cca n ASN 236 Ca 0.19 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 2cca n ASN 236 Cb 0.28 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2cca n ASN 236 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cca n GLY 237 N -0.58 0.50 3.51 7.41 0.00 0.14 -5.02 105.19 111.14 2cca n GLY 237 Ca -0.16 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2cca n GLY 237 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cca s ASN 238 N -2.12 6.32 0.00 1.61 3.04 0.17 -4.78 114.94 119.18 2cca s ASN 238 Ca 0.00 -0.41 -0.04 0.00 0.04 0.00 0.00 52.86 52.45 2cca s ASN 238 Cb 0.00 -2.34 -0.19 0.00 -1.54 0.00 0.00 41.25 37.19 2cca s ASN 238 CO 0.00 -0.87 2.75 -0.81 -3.04 0.00 0.00 177.10 175.14 2cca n PRO 239 N 6.44 1.45 -3.03 0.43 -0.04 -0.63 -3.22 135.00 136.41 2cca n PRO 239 Ca -0.01 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.32 2cca n PRO 239 Cb 0.47 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 2cca n PRO 239 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2cca s ASP 240 N 2.22 6.34 0.33 3.54 -1.08 -1.26 -4.93 116.67 121.84 2cca s ASP 240 Ca 0.46 -0.35 0.03 0.00 -0.52 0.00 0.00 52.55 52.18 2cca s ASP 240 Cb 0.22 -2.35 0.59 0.00 -1.46 0.00 0.00 42.92 39.92 2cca s ASP 240 CO 0.00 -0.90 1.91 -0.65 0.52 0.00 0.00 175.17 176.05 2cca h PRO 241 N 8.99 0.66 -0.22 4.34 0.11 -1.88 0.50 132.00 144.50 2cca h PRO 241 Ca -0.26 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2cca h PRO 241 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2cca h PRO 241 CO 0.95 0.57 0.08 1.98 -0.21 0.00 0.00 178.00 181.37 2cca h MET 242 N 0.65 0.34 -0.62 1.05 4.05 -1.92 -2.16 114.93 116.33 2cca h MET 242 Ca 0.15 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.41 2cca h MET 242 Cb 0.18 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 2cca h MET 242 CO -0.01 0.42 0.00 0.00 0.23 0.00 0.00 176.91 177.55 2cca h ALA 243 N 0.91 0.83 -0.85 0.39 0.00 -1.90 -3.01 119.26 115.63 2cca h ALA 243 Ca 0.07 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.76 2cca h ALA 243 Cb 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2cca h ALA 243 CO -0.00 0.67 0.55 0.00 0.00 0.00 0.00 179.25 180.47 2cca h ALA 244 N 0.99 1.66 -0.08 0.00 0.00 -0.79 -2.49 119.26 118.56 2cca h ALA 244 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2cca h ALA 244 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2cca h ALA 244 CO 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.28 2cca h ALA 245 N 1.57 1.56 -0.48 0.00 0.00 -1.24 -0.12 119.26 120.55 2cca h ALA 245 Ca 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2cca h ALA 245 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2cca h ALA 245 CO -0.15 0.32 0.25 0.28 0.00 0.00 0.00 179.25 179.94 2cca h VAL 246 N 0.11 1.17 -0.41 0.00 2.07 -1.49 0.72 116.25 118.43 2cca h VAL 246 Ca 0.02 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2cca h VAL 246 Cb 0.39 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2cca h VAL 246 CO 0.03 0.19 -0.03 0.44 0.02 0.00 0.00 177.57 178.21 2cca h ASP 247 N 0.63 0.74 0.27 0.57 3.32 -1.36 -2.30 116.42 118.28 2cca h ASP 247 Ca 0.17 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2cca h ASP 247 Cb 0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2cca h ASP 247 CO -0.02 0.89 -0.21 0.40 -1.72 0.00 0.00 179.24 178.58 2cca h ILE 248 N 0.58 0.56 -0.41 0.35 2.04 -0.90 -1.20 117.51 118.53 2cca h ILE 248 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.06 2cca h ILE 248 Cb 0.52 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 2cca h ILE 248 CO 0.03 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 177.98 2cca h ARG 249 N -0.48 -0.00 -0.04 2.37 2.43 -0.86 -1.84 114.38 115.96 2cca h ARG 249 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2cca h ARG 249 Cb 0.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2cca h ARG 249 CO -0.01 -0.00 -0.04 1.49 -1.51 0.00 0.00 179.97 179.90 2cca h GLU 250 N -0.00 0.09 -0.57 0.20 4.57 -1.28 -1.17 114.58 116.41 2cca h GLU 250 Ca 0.20 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2cca h GLU 250 Cb 0.30 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2cca h GLU 250 CO -0.43 0.55 0.18 1.79 -1.18 0.00 0.00 179.01 179.92 2cca h THR 251 N -0.37 1.24 -0.47 0.32 1.35 -1.21 -1.42 112.91 112.36 2cca h THR 251 Ca 0.01 -0.82 -0.08 0.00 -0.55 0.00 0.00 66.41 64.96 2cca h THR 251 Cb 0.54 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2cca h THR 251 CO 0.01 0.31 -0.05 -0.26 -0.25 0.00 0.00 175.52 175.28 2cca h PHE 252 N 0.81 0.88 -0.69 4.73 -1.00 -1.37 -2.14 116.94 118.16 2cca h PHE 252 Ca 0.18 -0.14 0.08 0.00 2.81 0.00 0.00 57.97 60.90 2cca h PHE 252 Cb 0.29 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.55 2cca h PHE 252 CO 0.02 0.84 0.36 -0.09 -1.61 0.00 0.00 178.31 177.83 2cca h ARG 253 N 0.75 0.62 0.00 1.51 2.43 -0.89 -0.02 114.38 118.79 2cca h ARG 253 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2cca h ARG 253 Cb 0.52 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2cca h ARG 253 CO 0.03 0.41 0.00 0.54 -1.51 0.00 0.00 179.97 179.44 2cca n ARG 254 N -4.82 0.60 -0.34 0.20 1.74 -0.56 -1.39 116.66 112.09 2cca n ARG 254 Ca 0.10 0.02 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 2cca n ARG 254 Cb 0.22 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.34 2cca n ARG 254 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2cca n MET 255 N -1.06 1.63 -1.12 5.56 2.81 -0.18 -0.95 117.12 123.81 2cca n MET 255 Ca 0.15 -2.88 -0.04 0.00 -1.81 0.00 0.00 57.70 53.12 2cca n MET 255 Cb 0.09 -1.61 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 2cca n MET 255 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2cca n ALA 256 N -1.20 -0.06 -3.10 3.04 0.00 -0.48 -4.94 120.51 113.76 2cca n ALA 256 Ca 0.19 0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 2cca n ALA 256 Cb 0.73 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 2cca n ALA 256 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2cca s MET 257 N -2.08 3.57 0.13 0.00 -1.94 -0.27 -5.00 119.30 113.72 2cca s MET 257 Ca 0.00 -0.56 -0.02 0.00 -1.71 0.00 0.00 55.69 53.40 2cca s MET 257 Cb 0.00 -2.94 0.03 0.00 2.01 0.00 0.00 34.83 33.93 2cca s MET 257 CO 0.00 0.10 0.18 0.27 -0.01 0.00 0.00 175.02 175.56 2cca n ASN 258 N 3.95 0.04 -0.17 3.03 2.04 -1.26 -3.13 115.26 119.75 2cca n ASN 258 Ca -0.18 -1.08 -0.08 0.00 -0.44 0.00 0.00 54.58 52.80 2cca n ASN 258 Cb 0.52 -0.13 0.01 0.00 -2.53 0.00 0.00 39.78 37.65 2cca n ASN 258 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2cca h ASP 259 N -0.21 0.70 -0.27 0.53 3.32 -1.99 -0.11 116.42 118.39 2cca h ASP 259 Ca -0.06 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 2cca h ASP 259 Cb 0.16 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2cca h ASP 259 CO 0.04 0.69 -0.04 0.58 -1.72 0.00 0.00 179.24 178.79 2cca h VAL 260 N 0.66 1.27 -0.56 -1.35 2.07 -1.97 -1.90 116.25 114.48 2cca h VAL 260 Ca 0.16 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2cca h VAL 260 Cb 0.21 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2cca h VAL 260 CO -0.01 0.32 0.24 -0.33 0.02 0.00 0.00 177.57 177.82 2cca h GLU 261 N 0.26 0.82 0.42 1.57 5.08 -1.88 0.06 114.58 120.91 2cca h GLU 261 Ca 0.07 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2cca h GLU 261 Cb 0.50 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2cca h GLU 261 CO 0.02 0.69 -0.20 1.15 -1.00 0.00 0.00 179.01 179.67 2cca h THR 262 N 0.76 0.59 -0.41 1.13 2.02 -0.97 0.01 112.91 116.03 2cca h THR 262 Ca 0.19 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.34 2cca h THR 262 Cb 0.16 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2cca h THR 262 CO -0.02 0.02 0.11 0.00 0.37 0.00 0.00 175.52 176.00 2cca h ALA 263 N -0.05 0.47 -0.43 6.16 0.00 -1.31 -1.80 119.26 122.31 2cca h ALA 263 Ca -0.06 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2cca h ALA 263 Cb 0.46 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2cca h ALA 263 CO 0.09 -0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.20 2cca h ALA 264 N 1.29 0.50 -0.50 0.00 0.00 -0.77 -1.91 119.26 117.87 2cca h ALA 264 Ca 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2cca h ALA 264 Cb 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2cca h ALA 264 CO -0.23 -0.26 0.19 -0.07 0.00 0.00 0.00 179.25 178.88 2cca h LEU 265 N 0.29 0.70 -0.06 0.00 3.38 -0.67 0.86 115.31 119.81 2cca h LEU 265 Ca 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2cca h LEU 265 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2cca h LEU 265 CO -0.22 0.69 -0.01 0.40 0.09 0.00 0.00 178.44 179.39 2cca h ILE 266 N 0.67 1.28 -0.48 1.22 2.04 -1.12 0.06 117.51 121.18 2cca h ILE 266 Ca 0.17 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2cca h ILE 266 Cb 0.21 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2cca h ILE 266 CO -0.01 0.24 -0.07 1.62 0.00 0.00 0.00 178.15 179.93 2cca h VAL 267 N -0.20 1.27 -0.54 1.67 3.04 -1.37 -0.68 116.25 119.44 2cca h VAL 267 Ca 0.02 -1.18 0.06 0.00 -1.01 0.00 0.00 66.70 64.59 2cca h VAL 267 Cb 0.38 1.05 -0.05 0.00 -2.01 0.00 0.00 31.29 30.66 2cca h VAL 267 CO 0.00 0.41 0.25 1.23 -1.01 0.00 0.00 177.57 178.45 2cca h GLY 268 N 0.75 0.76 0.66 3.17 0.00 -0.81 -0.86 103.07 106.74 2cca h GLY 268 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2cca h GLY 268 CO 0.04 0.07 -0.06 -1.33 0.00 0.00 0.00 176.54 175.26 2cca h GLY 269 N 0.47 0.21 1.01 4.60 0.00 -0.85 -3.21 103.07 105.29 2cca h GLY 269 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2cca h GLY 269 CO -0.21 0.18 0.00 1.42 0.00 0.00 0.00 176.54 177.93 2cca n HIS 270 N -4.72 0.00 0.31 5.60 8.25 -0.27 -1.82 115.22 122.55 2cca n HIS 270 Ca -0.07 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.59 2cca n HIS 270 Cb 0.28 -0.00 0.98 0.00 1.12 0.00 0.00 29.99 32.37 2cca n HIS 270 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2cca h THR 271 N 0.00 0.00 -4.06 1.59 2.02 -1.16 -3.42 112.91 107.89 2cca h THR 271 Ca 0.00 -0.13 -0.69 0.00 0.77 0.00 0.00 66.41 66.36 2cca h THR 271 Cb 0.00 1.05 -0.24 0.00 -1.74 0.00 0.00 68.15 67.23 2cca h THR 271 CO 0.00 0.00 -0.87 -0.36 0.37 0.00 0.00 175.52 174.66 2cca s PHE 272 N -3.92 2.29 0.00 3.16 0.08 -0.76 -4.56 117.98 114.28 2cca s PHE 272 Ca -0.03 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.63 2cca s PHE 272 Cb 0.11 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2cca s PHE 272 CO 0.41 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 176.20 2cca n GLY 273 N 1.24 0.27 3.57 4.36 0.00 0.51 -4.93 105.19 110.21 2cca n GLY 273 Ca -0.18 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 2cca n GLY 273 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cca s LYS 274 N 0.00 0.98 0.68 1.61 -2.85 -1.26 -4.21 119.74 114.69 2cca s LYS 274 Ca 0.00 -0.43 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 2cca s LYS 274 Cb 0.00 0.41 0.09 0.00 -2.06 0.00 0.00 37.83 36.27 2cca s LYS 274 CO 0.00 -0.44 0.95 0.95 0.10 0.00 0.00 175.35 176.91 2cca s THR 275 N -3.24 2.32 -0.13 3.79 -4.23 0.43 -5.00 115.64 109.59 2cca s THR 275 Ca 0.07 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2cca s THR 275 Cb -0.01 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 71.07 2cca s THR 275 CO -0.06 0.00 0.06 -1.00 -0.54 0.00 0.00 174.62 173.07 2cca s HIS 276 N -3.09 0.42 -0.43 3.99 0.09 -0.83 -4.38 115.29 111.05 2cca s HIS 276 Ca 0.63 -0.26 0.08 0.00 -0.00 0.00 0.00 55.06 55.50 2cca s HIS 276 Cb -0.08 -0.73 0.34 0.00 -0.00 0.00 0.00 32.58 32.11 2cca s HIS 276 CO 0.43 -0.42 1.10 0.41 -0.00 0.00 0.00 174.74 176.26 2cca n GLY 277 N 5.21 1.18 0.25 -2.22 0.00 -0.27 -0.08 105.19 109.27 2cca n GLY 277 Ca -0.06 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.81 2cca n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca h ALA 278 N 2.82 0.99 -2.95 4.61 0.00 -1.71 -3.30 119.26 119.73 2cca h ALA 278 Ca -0.10 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 2cca h ALA 278 Cb 1.12 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2cca h ALA 278 CO 0.16 0.03 -0.15 0.20 0.00 0.00 0.00 179.25 179.49 2cca s GLY 279 N -4.20 1.50 0.30 0.00 0.00 -1.26 -4.81 107.32 98.85 2cca s GLY 279 Ca 0.03 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 42.94 2cca s GLY 279 CO 0.60 -0.97 1.49 2.56 0.00 0.00 0.00 173.10 176.78 2cca s PRO 280 N -2.88 4.19 0.38 2.90 0.04 -1.26 -4.09 135.00 134.27 2cca s PRO 280 Ca 0.30 2.45 0.28 0.00 0.04 0.00 0.00 61.00 64.07 2cca s PRO 280 Cb -0.01 -3.04 1.15 0.00 0.04 0.00 0.00 34.50 32.64 2cca s PRO 280 CO 0.21 -0.50 1.83 0.00 0.04 0.00 0.00 177.00 178.58 2cca h ALA 281 N 4.32 1.00 0.00 8.56 0.00 -1.94 -2.73 119.26 128.48 2cca h ALA 281 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2cca h ALA 281 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2cca h ALA 281 CO 0.74 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 2cca n ASP 282 N -2.59 0.00 -0.57 0.00 5.68 -1.26 -2.01 116.55 115.80 2cca n ASP 282 Ca 0.01 -0.31 0.11 0.00 -0.50 0.00 0.00 54.79 54.10 2cca n ASP 282 Cb 0.26 -0.20 0.37 0.00 -1.14 0.00 0.00 41.12 40.41 2cca n ASP 282 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2cca n LEU 283 N -1.20 1.71 -4.66 -2.12 4.77 -1.03 -4.85 117.00 109.62 2cca n LEU 283 Ca 0.15 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 55.04 2cca n LEU 283 Cb 0.18 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2cca n LEU 283 CO 0.19 0.36 -0.04 -0.69 -1.33 0.00 0.00 177.39 175.88 2cca s VAL 284 N -1.79 5.28 0.43 4.08 1.01 -0.85 -1.15 120.40 127.41 2cca s VAL 284 Ca 0.32 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 2cca s VAL 284 Cb 0.18 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 33.04 2cca s VAL 284 CO 0.26 0.29 0.49 0.61 0.00 0.00 0.00 175.10 176.76 2cca n GLY 285 N 4.17 -1.79 3.75 4.51 0.00 0.17 -4.91 105.19 111.09 2cca n GLY 285 Ca -0.12 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 2cca n GLY 285 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cca s PRO 286 N -4.09 3.15 0.92 1.61 0.04 -1.26 -3.93 135.00 131.44 2cca s PRO 286 Ca 0.29 2.21 -0.10 0.00 0.04 0.00 0.00 61.00 63.44 2cca s PRO 286 Cb -0.02 -2.25 0.14 0.00 0.04 0.00 0.00 34.50 32.41 2cca s PRO 286 CO 0.21 -1.17 1.12 -0.85 0.04 0.00 0.00 177.00 176.35 2cca n GLU 287 N -1.02 -0.46 -0.27 4.56 0.00 -1.26 -0.60 120.64 121.59 2cca n GLU 287 Ca 0.10 -0.07 0.08 0.00 0.00 0.00 0.00 57.16 57.28 2cca n GLU 287 Cb 0.45 -2.36 0.22 0.00 0.00 0.00 0.00 31.44 29.76 2cca n GLU 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 2cca h PRO 288 N -1.89 0.29 0.00 3.44 0.11 -1.82 -0.34 132.00 131.80 2cca h PRO 288 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2cca h PRO 288 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2cca h PRO 288 CO 0.41 0.19 0.00 0.93 -0.21 0.00 0.00 178.00 179.32 2cca h GLU 289 N 0.30 0.00 -0.02 1.05 4.39 -1.90 -2.66 114.58 115.74 2cca h GLU 289 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 2cca h GLU 289 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2cca h GLU 289 CO -0.53 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.28 2cca n ALA 290 N -2.06 2.56 -1.89 3.43 0.00 -0.22 -5.03 120.51 117.30 2cca n ALA 290 Ca 0.01 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.48 2cca n ALA 290 Cb 0.29 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2cca n ALA 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cca s ALA 291 N -1.65 3.11 0.78 0.00 0.00 -0.71 -4.88 121.76 118.41 2cca s ALA 291 Ca 0.21 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.19 2cca s ALA 291 Cb 0.16 -3.06 0.07 0.00 0.00 0.00 0.00 23.12 20.28 2cca s ALA 291 CO 0.26 -0.14 1.22 -1.25 0.00 0.00 0.00 175.76 175.85 2cca s PRO 292 N -3.89 1.78 0.31 0.00 0.04 -1.26 -4.94 135.00 127.04 2cca s PRO 292 Ca 0.58 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.48 2cca s PRO 292 Cb -0.10 -1.79 0.66 0.00 0.04 0.00 0.00 34.50 33.31 2cca s PRO 292 CO 0.28 -2.12 1.84 -0.07 0.04 0.00 0.00 177.00 176.97 2cca h LEU 293 N -0.66 0.83 -0.88 -3.56 4.07 -1.98 -2.54 115.31 110.59 2cca h LEU 293 Ca -0.47 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2cca h LEU 293 Cb 1.30 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2cca h LEU 293 CO 0.47 0.42 0.00 -1.84 -1.08 0.00 0.00 178.44 176.41 2cca n GLU 294 N -4.62 0.17 0.00 1.13 0.00 -1.26 -1.74 120.64 114.32 2cca n GLU 294 Ca 0.19 0.48 0.14 0.00 0.00 0.00 0.00 57.16 57.98 2cca n GLU 294 Cb 0.42 -1.88 0.67 0.00 0.00 0.00 0.00 31.44 30.64 2cca n GLU 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2cca n GLN 295 N -2.21 0.16 -3.73 3.44 6.02 -0.96 -4.95 117.38 115.15 2cca n GLN 295 Ca 0.01 -0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.77 2cca n GLN 295 Cb 0.17 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.96 2cca n GLN 295 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2cca n MET 296 N -1.42 -5.23 -0.04 -1.09 2.81 -0.71 -2.02 117.12 109.43 2cca n MET 296 Ca 0.10 0.63 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 2cca n MET 296 Cb 0.30 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.51 2cca n MET 296 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cca n GLY 297 N -1.60 1.35 3.89 3.03 0.00 -1.26 -5.04 105.19 105.56 2cca n GLY 297 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2cca n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cca s LEU 298 N 0.00 3.99 0.00 0.99 1.43 -0.85 -4.80 118.68 119.44 2cca s LEU 298 Ca 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2cca s LEU 298 Cb 0.00 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2cca s LEU 298 CO 0.00 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.94 2cca n GLY 299 N -1.00 4.50 3.85 -3.19 0.00 -1.26 -4.62 105.19 103.47 2cca n GLY 299 Ca -0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2cca n GLY 299 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2cca n TRP 300 N 0.00 -1.90 -1.91 1.61 8.01 0.23 -4.84 117.44 118.65 2cca n TRP 300 Ca 0.00 0.71 -0.42 0.00 -1.31 0.00 0.00 57.50 56.48 2cca n TRP 300 Cb 0.00 -3.18 -0.03 0.00 -2.01 0.00 0.00 31.31 26.09 2cca n TRP 300 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 2cca s LYS 301 N -6.54 4.19 -0.10 -0.99 2.20 -1.26 -4.33 119.74 112.92 2cca s LYS 301 Ca 0.61 2.36 -0.04 0.00 -0.36 0.00 0.00 55.97 58.55 2cca s LYS 301 Cb -0.32 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 2cca s LYS 301 CO 0.75 -0.72 0.05 0.45 -0.36 0.00 0.00 175.35 175.53 2cca s SER 302 N 2.17 5.66 0.00 1.43 0.15 -1.26 0.46 113.70 122.31 2cca s SER 302 Ca 0.74 0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.89 2cca s SER 302 Cb -0.41 -1.70 0.23 0.00 -1.71 0.00 0.00 66.02 62.44 2cca s SER 302 CO 0.32 0.39 1.28 -1.54 1.20 0.00 0.00 173.24 174.89 2cca n SER 303 N 2.09 3.07 -4.62 5.45 3.41 -0.30 -4.23 113.62 118.49 2cca n SER 303 Ca -0.19 -1.99 -0.43 0.00 -0.26 0.00 0.00 58.87 56.00 2cca n SER 303 Cb 0.54 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 2cca n SER 303 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2cca s TYR 304 N -1.87 2.50 0.00 7.33 5.04 -1.26 -4.85 117.35 124.23 2cca s TYR 304 Ca 0.30 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 2cca s TYR 304 Cb 0.20 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.45 2cca s TYR 304 CO 0.30 -1.97 0.00 0.41 -1.34 0.00 0.00 175.55 172.95 2cca n GLY 305 N 4.65 3.16 0.18 8.97 0.00 -1.26 -0.45 105.19 120.44 2cca n GLY 305 Ca 0.16 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2cca n GLY 305 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2cca h THR 306 N 0.00 0.00 0.00 2.61 1.35 -1.91 -3.47 112.91 111.49 2cca h THR 306 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2cca h THR 306 Cb 0.00 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2cca h THR 306 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2cca n GLY 307 N 0.19 1.95 3.32 5.82 0.00 0.40 -4.96 105.19 111.91 2cca n GLY 307 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2cca n GLY 307 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cca s THR 308 N -3.13 0.15 0.00 2.61 -4.23 -1.26 -4.54 115.64 105.24 2cca s THR 308 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2cca s THR 308 Cb 0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2cca s THR 308 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2cca n GLY 309 N -0.62 3.48 0.30 3.99 0.00 -1.26 -1.01 105.19 110.06 2cca n GLY 309 Ca 0.04 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.45 2cca n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cca h LYS 310 N 0.00 0.00 -0.20 1.61 1.79 -1.98 -2.26 116.57 115.53 2cca h LYS 310 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2cca h LYS 310 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2cca h LYS 310 CO 0.00 0.01 0.00 -0.25 -1.08 0.00 0.00 179.45 178.13 2cca n ASP 311 N -3.77 3.06 -4.67 0.86 8.00 -0.18 -4.82 116.55 115.03 2cca n ASP 311 Ca -0.03 -1.92 -0.45 0.00 0.71 0.00 0.00 54.79 53.10 2cca n ASP 311 Cb 0.10 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2cca n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cca n ALA 312 N 1.27 1.20 -3.72 2.24 0.00 -0.85 -4.50 120.51 116.16 2cca n ALA 312 Ca 0.15 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.71 2cca n ALA 312 Cb 0.55 -2.30 -0.17 0.00 0.00 0.00 0.00 19.45 17.54 2cca n ALA 312 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cca s ILE 313 N 0.15 1.69 0.00 0.00 1.01 -1.26 -2.45 121.20 120.34 2cca s ILE 313 Ca 0.70 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2cca s ILE 313 Cb -0.65 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2cca s ILE 313 CO 0.47 0.48 0.00 0.41 0.00 0.00 0.00 174.94 176.30 2cca n THR 314 N 4.25 0.00 0.16 2.92 -1.04 0.89 -4.89 114.28 116.57 2cca n THR 314 Ca -0.19 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 61.91 2cca n THR 314 Cb 0.51 -0.54 0.08 0.00 -1.82 0.00 0.00 70.33 68.56 2cca n THR 314 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2cca h SER 315 N 0.00 0.00 0.00 8.00 4.64 -1.86 -3.48 113.55 120.86 2cca h SER 315 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cca h SER 315 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2cca h SER 315 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 2cca n GLY 316 N 1.17 0.81 3.89 -0.77 0.00 -0.79 -5.00 105.19 104.50 2cca n GLY 316 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2cca n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cca s ILE 317 N -2.51 5.28 -0.59 -0.61 1.01 -1.25 -4.12 121.20 118.41 2cca s ILE 317 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.75 2cca s ILE 317 Cb 0.00 -3.59 0.16 0.00 0.01 0.00 0.00 42.46 39.04 2cca s ILE 317 CO 0.00 0.25 0.40 -0.70 0.00 0.00 0.00 174.94 174.89 2cca s GLU 318 N -2.08 1.94 -0.05 2.79 2.56 -1.26 -1.11 118.70 121.49 2cca s GLU 318 Ca 0.32 -2.83 0.04 0.00 0.00 0.00 0.00 54.97 52.50 2cca s GLU 318 Cb -0.13 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.12 2cca s GLU 318 CO 0.20 -1.26 -0.15 0.08 -0.56 0.00 0.00 175.26 173.56 2cca s VAL 319 N -0.76 1.32 -0.27 3.70 1.01 -1.26 -4.99 120.40 119.16 2cca s VAL 319 Ca 0.24 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2cca s VAL 319 Cb -0.09 -1.15 0.07 0.00 0.00 0.00 0.00 36.38 35.21 2cca s VAL 319 CO -0.13 0.39 -0.08 -0.69 0.00 0.00 0.00 175.10 174.59 2cca s VAL 320 N 0.18 2.05 0.26 2.92 1.01 -1.26 -0.43 120.40 125.13 2cca s VAL 320 Ca -0.06 -1.64 -0.00 0.00 0.00 0.00 0.00 61.98 60.28 2cca s VAL 320 Cb -0.12 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.11 2cca s VAL 320 CO 0.02 -0.12 1.72 -0.50 0.00 0.00 0.00 175.10 176.23 2cca h TRP 321 N 7.79 0.70 -3.29 5.22 6.55 -1.75 -3.36 115.95 127.82 2cca h TRP 321 Ca -0.17 -0.13 -0.37 0.00 0.95 0.00 0.00 58.89 59.17 2cca h TRP 321 Cb 1.04 -0.18 -0.15 0.00 -0.86 0.00 0.00 29.16 29.01 2cca h TRP 321 CO 0.59 0.76 -0.73 0.95 -1.05 0.00 0.00 178.44 178.96 2cca s THR 322 N -4.69 1.34 -1.25 1.49 -4.23 -1.26 -4.76 115.64 102.27 2cca s THR 322 Ca -0.08 -2.04 0.27 0.00 -1.18 0.00 0.00 61.69 58.66 2cca s THR 322 Cb 0.14 -1.84 0.37 0.00 1.34 0.00 0.00 72.50 72.51 2cca s THR 322 CO 0.80 -0.65 1.89 -0.46 -0.54 0.00 0.00 174.62 175.66 2cca n ASN 323 N -0.12 0.00 -3.26 3.99 6.94 -1.26 -4.13 115.26 117.42 2cca n ASN 323 Ca -0.11 0.15 -0.25 0.00 -0.02 0.00 0.00 54.58 54.35 2cca n ASN 323 Cb 0.60 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 2cca n ASN 323 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2cca n THR 324 N -1.37 1.16 0.24 5.53 -2.24 -1.26 -4.56 114.28 111.78 2cca n THR 324 Ca 0.10 -4.79 0.12 0.00 -2.27 0.00 0.00 64.05 57.21 2cca n THR 324 Cb 0.25 -1.80 0.58 0.00 -2.10 0.00 0.00 70.33 67.26 2cca n THR 324 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2cca n PRO 325 N 0.86 0.16 -0.54 -0.78 -0.02 -1.26 -1.89 135.00 131.53 2cca n PRO 325 Ca 0.27 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 62.37 2cca n PRO 325 Cb 0.47 -1.96 0.20 0.00 -0.02 0.00 0.00 33.50 32.19 2cca n PRO 325 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2cca n THR 326 N -2.29 2.24 -3.78 3.45 -2.24 -1.26 -0.36 114.28 110.04 2cca n THR 326 Ca -0.00 -2.85 -0.13 0.00 -2.27 0.00 0.00 64.05 58.79 2cca n THR 326 Cb 0.09 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 2cca n THR 326 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2cca s LYS 327 N -3.15 0.20 -0.11 -0.78 2.20 -0.79 -4.72 119.74 112.59 2cca s LYS 327 Ca 0.39 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 2cca s LYS 327 Cb 0.36 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 2cca s LYS 327 CO -0.02 -0.08 1.08 -0.46 -0.36 0.00 0.00 175.35 175.51 2cca s TRP 328 N 0.57 3.35 0.00 4.03 -0.11 0.02 -4.84 118.94 121.97 2cca s TRP 328 Ca -0.04 1.43 0.00 0.00 1.22 0.00 0.00 56.10 58.71 2cca s TRP 328 Cb -0.05 -3.29 0.00 0.00 -1.50 0.00 0.00 33.47 28.63 2cca s TRP 328 CO -0.03 -0.67 0.00 -0.40 -4.62 0.00 0.00 176.95 171.23 2cca n ASP 329 N 5.34 0.00 -1.65 5.86 5.68 -1.26 -4.94 116.55 125.57 2cca n ASP 329 Ca 0.10 -0.98 0.06 0.00 -0.50 0.00 0.00 54.79 53.46 2cca n ASP 329 Cb 0.47 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.79 2cca n ASP 329 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2cca n ASN 330 N -0.78 4.89 -0.10 -1.12 4.05 -1.26 -4.61 115.26 116.34 2cca n ASN 330 Ca 0.00 -2.77 0.01 0.00 0.45 0.00 0.00 54.58 52.27 2cca n ASN 330 Cb 0.00 -0.66 0.30 0.00 1.23 0.00 0.00 39.78 40.65 2cca n ASN 330 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2cca h SER 331 N 3.27 0.67 0.32 1.20 0.02 -1.96 -2.45 113.55 114.61 2cca h SER 331 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2cca h SER 331 Cb 1.73 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 2cca h SER 331 CO 0.41 0.55 -0.22 0.15 -1.14 0.00 0.00 176.83 176.58 2cca h PHE 332 N 0.75 -0.59 -0.10 3.45 3.57 -1.87 0.11 116.94 122.26 2cca h PHE 332 Ca 0.19 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 2cca h PHE 332 Cb 0.04 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2cca h PHE 332 CO 0.00 -0.34 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.11 2cca h LEU 333 N -0.54 0.33 -0.68 0.59 3.38 -1.93 0.12 115.31 116.58 2cca h LEU 333 Ca -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2cca h LEU 333 Cb 0.46 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2cca h LEU 333 CO 0.01 0.82 0.40 -0.33 0.09 0.00 0.00 178.44 179.44 2cca h GLU 334 N 0.23 0.93 -0.05 1.13 5.08 -1.30 -1.62 114.58 118.98 2cca h GLU 334 Ca 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2cca h GLU 334 Cb 1.06 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2cca h GLU 334 CO 0.09 0.67 -0.13 0.82 -1.00 0.00 0.00 179.01 179.46 2cca h ILE 335 N 0.93 1.44 -0.76 3.13 2.04 -0.60 -0.76 117.51 122.93 2cca h ILE 335 Ca 0.24 -1.50 0.10 0.00 1.00 0.00 0.00 64.86 64.71 2cca h ILE 335 Cb -0.01 2.30 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 2cca h ILE 335 CO -0.04 0.41 0.39 0.25 0.00 0.00 0.00 178.15 179.16 2cca h LEU 336 N -0.35 0.52 0.00 1.44 5.85 -0.68 -2.37 115.31 119.71 2cca h LEU 336 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2cca h LEU 336 Cb 0.74 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2cca h LEU 336 CO 0.03 0.28 -0.95 -1.22 -0.34 0.00 0.00 178.44 176.23 2cca n TYR 337 N -4.84 0.58 0.97 1.25 4.01 -0.62 -4.25 117.16 114.27 2cca n TYR 337 Ca 0.13 0.17 0.13 0.00 -0.16 0.00 0.00 57.90 58.16 2cca n TYR 337 Cb 0.30 -0.68 0.35 0.00 -0.31 0.00 0.00 39.34 39.00 2cca n TYR 337 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cca n GLY 338 N 1.29 -1.33 3.37 2.72 0.00 -0.29 -4.88 105.19 106.07 2cca n GLY 338 Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2cca n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cca s TYR 339 N -3.01 1.77 0.12 1.61 1.51 -1.07 -5.02 117.35 113.26 2cca s TYR 339 Ca 0.12 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2cca s TYR 339 Cb 0.18 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 2cca s TYR 339 CO 0.65 0.28 0.30 -1.21 -1.11 0.00 0.00 175.55 174.47 2cca s GLU 340 N -3.70 3.51 -0.01 -0.62 0.41 -1.26 -4.93 118.70 112.10 2cca s GLU 340 Ca 0.25 -0.33 0.07 0.00 -0.41 0.00 0.00 54.97 54.56 2cca s GLU 340 Cb 0.02 -2.94 -0.02 0.00 -1.78 0.00 0.00 34.13 29.41 2cca s GLU 340 CO 0.09 0.52 -0.23 -1.58 -0.49 0.00 0.00 175.26 173.57 2cca s TRP 341 N -1.64 2.02 0.07 1.61 0.52 -1.26 -0.12 118.94 120.14 2cca s TRP 341 Ca 0.37 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 56.17 2cca s TRP 341 Cb -0.12 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 2cca s TRP 341 CO 0.27 -0.02 -0.16 -1.83 0.02 0.00 0.00 176.95 175.23 2cca s GLU 342 N -0.62 0.95 0.30 4.98 -1.05 -0.35 -4.86 118.70 118.05 2cca s GLU 342 Ca 0.09 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 2cca s GLU 342 Cb -0.09 -1.04 -0.11 0.00 -0.44 0.00 0.00 34.13 32.46 2cca s GLU 342 CO -0.00 0.24 1.49 -0.51 0.95 0.00 0.00 175.26 177.43 2cca s LEU 343 N -1.65 4.36 0.00 1.83 1.43 -1.26 -1.30 118.68 122.08 2cca s LEU 343 Ca 0.01 2.86 0.02 0.00 -1.03 0.00 0.00 54.13 56.00 2cca s LEU 343 Cb -0.10 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2cca s LEU 343 CO 0.03 -0.80 0.35 1.07 0.23 0.00 0.00 176.35 177.22 2cca n THR 344 N 1.70 0.00 -4.73 5.49 5.66 0.11 -4.86 114.28 117.64 2cca n THR 344 Ca 0.05 -1.81 -0.25 0.00 -3.05 0.00 0.00 64.05 58.99 2cca n THR 344 Cb 0.39 1.01 -0.15 0.00 -1.55 0.00 0.00 70.33 70.03 2cca n THR 344 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2cca s LYS 345 N -2.91 1.41 0.87 1.09 1.02 -1.26 -1.82 119.74 118.13 2cca s LYS 345 Ca 0.30 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.35 2cca s LYS 345 Cb 0.00 -1.45 0.11 0.00 -0.52 0.00 0.00 37.83 35.98 2cca s LYS 345 CO 0.21 0.38 1.15 -1.54 -0.92 0.00 0.00 175.35 174.63 2cca s SER 346 N -0.87 3.94 0.60 2.83 1.04 0.34 -4.88 113.70 116.69 2cca s SER 346 Ca 0.07 0.94 0.29 0.00 0.48 0.00 0.00 55.95 57.73 2cca s SER 346 Cb -0.08 -1.51 1.61 0.00 0.10 0.00 0.00 66.02 66.14 2cca s SER 346 CO 0.01 -2.28 2.01 -0.65 0.98 0.00 0.00 173.24 173.31 2cca h PRO 347 N -1.31 0.00 -0.08 4.02 0.11 -1.85 -0.77 132.00 132.13 2cca h PRO 347 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2cca h PRO 347 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2cca h PRO 347 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 2cca n ALA 348 N -2.28 2.51 -0.54 -0.75 0.00 -1.24 -4.35 120.51 113.86 2cca n ALA 348 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2cca n ALA 348 Cb 0.45 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2cca n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cca n GLY 349 N 1.26 0.69 3.82 0.00 0.00 -0.29 -4.64 105.19 106.03 2cca n GLY 349 Ca 0.17 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2cca n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca s ALA 350 N -2.00 3.46 0.26 4.61 0.00 -1.26 -4.76 121.76 122.08 2cca s ALA 350 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2cca s ALA 350 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.28 2cca s ALA 350 CO 0.00 0.36 1.34 -1.58 0.00 0.00 0.00 175.76 175.88 2cca s TRP 351 N -1.47 3.13 0.26 0.00 0.23 -1.26 -0.51 118.94 119.32 2cca s TRP 351 Ca 0.41 1.25 -0.18 0.00 -2.03 0.00 0.00 56.10 55.55 2cca s TRP 351 Cb -0.17 -3.68 0.02 0.00 0.03 0.00 0.00 33.47 29.67 2cca s TRP 351 CO 0.21 -2.04 0.63 1.14 0.96 0.00 0.00 176.95 177.84 2cca s GLN 352 N -0.85 1.67 0.04 4.98 -2.07 -0.76 -4.78 119.66 117.89 2cca s GLN 352 Ca 0.54 -1.03 0.04 0.00 -1.82 0.00 0.00 55.36 53.08 2cca s GLN 352 Cb -0.39 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 2cca s GLN 352 CO 0.45 -0.74 -0.03 0.71 -1.32 0.00 0.00 175.29 174.36 2cca s TYR 353 N -3.94 2.95 0.07 9.60 2.02 0.29 0.04 117.35 128.39 2cca s TYR 353 Ca 0.14 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2cca s TYR 353 Cb -0.04 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 2cca s TYR 353 CO 0.06 0.43 -0.10 -0.08 -1.57 0.00 0.00 175.55 174.29 2cca s THR 354 N -1.13 0.85 0.29 -0.71 -1.32 -0.42 -1.39 115.64 111.80 2cca s THR 354 Ca 0.21 -1.38 -0.30 0.00 -1.21 0.00 0.00 61.69 59.00 2cca s THR 354 Cb -0.11 -1.05 -0.12 0.00 -1.51 0.00 0.00 72.50 69.70 2cca s THR 354 CO 0.12 -0.43 1.53 0.00 -2.21 0.00 0.00 174.62 173.63 2cca n ALA 355 N 1.02 2.14 -1.42 11.08 0.00 -0.98 -1.21 120.51 131.13 2cca n ALA 355 Ca -0.19 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 2cca n ALA 355 Cb 0.56 -2.40 0.07 0.00 0.00 0.00 0.00 19.45 17.67 2cca n ALA 355 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cca s LYS 356 N -0.72 2.54 -1.77 0.00 1.02 0.83 -4.10 119.74 117.55 2cca s LYS 356 Ca 0.63 1.46 0.00 0.00 0.02 0.00 0.00 55.97 58.08 2cca s LYS 356 Cb -0.53 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2cca s LYS 356 CO 0.51 -1.46 0.00 -0.25 -0.92 0.00 0.00 175.35 173.23 2cca n ASP 357 N -2.65 -5.72 -0.68 2.83 8.00 -1.26 -1.77 116.55 115.30 2cca n ASP 357 Ca 0.11 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.55 2cca n ASP 357 Cb 0.52 -4.76 -0.04 0.00 -0.02 0.00 0.00 41.12 36.81 2cca n ASP 357 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cca n GLY 358 N -0.97 0.92 3.77 0.44 0.00 -1.26 -4.95 105.19 103.14 2cca n GLY 358 Ca -0.24 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2cca n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca s ALA 359 N -1.92 3.42 -1.22 4.61 0.00 -0.73 -2.97 121.76 122.96 2cca s ALA 359 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2cca s ALA 359 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2cca s ALA 359 CO 0.00 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2cca n GLY 360 N 0.64 0.95 3.68 0.00 0.00 -1.26 -4.54 105.19 104.65 2cca n GLY 360 Ca 0.02 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 2cca n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca n ALA 361 N 0.52 1.18 -0.94 4.61 0.00 -1.16 -2.34 120.51 122.38 2cca n ALA 361 Ca -0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2cca n ALA 361 Cb 0.45 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2cca n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cca n GLY 362 N 1.73 0.20 0.09 0.00 0.00 -1.09 -4.87 105.19 101.25 2cca n GLY 362 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2cca n GLY 362 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2cca h THR 363 N 0.00 0.00 -3.55 2.61 1.35 -0.99 -3.38 112.91 108.94 2cca h THR 363 Ca 0.00 -0.59 -0.63 0.00 -0.55 0.00 0.00 66.41 64.64 2cca h THR 363 Cb 0.54 1.28 -0.18 0.00 -1.73 0.00 0.00 68.15 68.06 2cca h THR 363 CO 0.00 0.00 -0.56 -0.63 -0.25 0.00 0.00 175.52 174.08 2cca s ILE 364 N -3.18 4.85 0.45 6.82 -1.09 -0.43 -4.76 121.20 123.86 2cca s ILE 364 Ca 0.06 0.00 -0.23 0.00 -2.23 0.00 0.00 60.65 58.26 2cca s ILE 364 Cb 0.12 -3.25 -0.08 0.00 -1.58 0.00 0.00 42.46 37.68 2cca s ILE 364 CO 0.70 0.37 1.14 -2.16 -1.23 0.00 0.00 174.94 173.75 2cca s PRO 365 N 1.10 3.81 0.23 2.79 0.04 -1.26 0.21 135.00 141.92 2cca s PRO 365 Ca 0.05 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 2cca s PRO 365 Cb -0.14 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 2cca s PRO 365 CO 0.04 -0.49 0.80 0.34 0.04 0.00 0.00 177.00 177.74 2cca s ASP 366 N -1.45 7.26 0.60 6.66 -1.08 -1.26 -4.85 116.67 122.56 2cca s ASP 366 Ca 0.63 1.62 0.34 0.00 -0.52 0.00 0.00 52.55 54.62 2cca s ASP 366 Cb -0.27 -2.49 1.90 0.00 -1.46 0.00 0.00 42.92 40.60 2cca s ASP 366 CO 0.32 0.08 2.24 1.55 0.52 0.00 0.00 175.17 179.88 2cca h PRO 367 N 3.70 0.00 -0.35 4.34 0.13 -1.95 -3.11 132.00 134.77 2cca h PRO 367 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 2cca h PRO 367 Cb 1.20 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.99 2cca h PRO 367 CO 0.66 0.03 -0.92 1.19 -0.23 0.00 0.00 178.00 178.72 2cca n PHE 368 N -3.54 1.15 -0.99 1.56 3.72 -1.26 -0.92 117.46 117.18 2cca n PHE 368 Ca -0.03 -1.69 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 2cca n PHE 368 Cb 0.12 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2cca n PHE 368 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cca n GLY 369 N -0.47 0.45 0.50 1.37 0.00 -1.17 -5.05 105.19 100.82 2cca n GLY 369 Ca 0.18 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 2cca n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cca n GLY 370 N -2.99 -2.38 3.74 -0.02 0.00 -1.26 -4.99 105.19 97.29 2cca n GLY 370 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 2cca n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cca s PRO 371 N -3.35 2.66 1.03 1.61 0.04 -1.26 -4.52 135.00 131.21 2cca s PRO 371 Ca 0.10 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 2cca s PRO 371 Cb -0.01 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.83 2cca s PRO 371 CO 0.08 -1.45 0.98 0.41 0.04 0.00 0.00 177.00 177.05 2cca n GLY 372 N 0.52 -1.21 3.43 0.56 0.00 -1.26 -4.35 105.19 102.88 2cca n GLY 372 Ca 0.14 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2cca n GLY 372 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cca s ARG 373 N -4.41 1.64 0.43 1.61 0.52 0.13 -4.42 118.95 114.45 2cca s ARG 373 Ca 0.66 -1.92 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 2cca s ARG 373 Cb -0.23 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 2cca s ARG 373 CO 0.62 -0.25 0.73 -1.12 0.02 0.00 0.00 175.30 175.30 2cca s SER 374 N -3.47 6.34 0.34 0.23 0.01 -1.26 -1.31 113.70 114.57 2cca s SER 374 Ca 0.35 0.90 -0.29 0.00 1.31 0.00 0.00 55.95 58.22 2cca s SER 374 Cb 0.08 -2.23 -0.11 0.00 0.21 0.00 0.00 66.02 63.97 2cca s SER 374 CO 0.15 -0.47 1.44 -2.84 0.41 0.00 0.00 173.24 171.93 2cca s PRO 375 N -4.40 4.20 0.04 12.44 0.02 -1.26 -4.82 135.00 141.22 2cca s PRO 375 Ca 0.47 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2cca s PRO 375 Cb -0.10 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 2cca s PRO 375 CO 0.40 -0.43 -0.04 0.95 -0.33 0.00 0.00 177.00 177.54 2cca s THR 376 N -0.89 0.28 0.06 0.99 -4.23 -1.26 -2.32 115.64 108.28 2cca s THR 376 Ca 0.53 -1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2cca s THR 376 Cb -0.44 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 2cca s THR 376 CO 0.56 -0.59 0.09 -0.04 -0.54 0.00 0.00 174.62 174.10 2cca s MET 377 N -2.10 0.70 0.59 3.99 -1.94 -0.49 -4.28 119.30 115.77 2cca s MET 377 Ca -0.08 -1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 52.78 2cca s MET 377 Cb -0.06 0.27 -0.05 0.00 2.01 0.00 0.00 34.83 37.01 2cca s MET 377 CO -0.03 -0.18 1.00 -0.51 -0.01 0.00 0.00 175.02 175.29 2cca s LEU 378 N -2.72 3.34 0.47 -0.03 1.02 -1.26 -0.55 118.68 118.95 2cca s LEU 378 Ca 0.03 1.39 0.13 0.00 0.02 0.00 0.00 54.13 55.71 2cca s LEU 378 Cb 0.05 -4.41 1.09 0.00 0.02 0.00 0.00 46.19 42.93 2cca s LEU 378 CO -0.09 -0.79 2.08 0.00 0.02 0.00 0.00 176.35 177.56 2cca h ALA 379 N -0.05 1.94 0.00 4.21 0.00 -1.86 -2.25 119.26 121.24 2cca h ALA 379 Ca -0.45 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2cca h ALA 379 Cb 1.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2cca h ALA 379 CO 0.62 0.02 -0.59 1.79 0.00 0.00 0.00 179.25 181.09 2cca h THR 380 N 0.27 1.20 -0.49 0.00 1.35 -1.90 -2.76 112.91 110.58 2cca h THR 380 Ca 0.12 -2.20 -0.13 0.00 -0.55 0.00 0.00 66.41 63.66 2cca h THR 380 Cb 0.15 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 2cca h THR 380 CO -0.03 0.58 -0.20 0.44 -0.25 0.00 0.00 175.52 176.07 2cca h ASP 381 N 0.00 1.02 0.24 5.36 3.32 -1.78 -3.06 116.42 121.51 2cca h ASP 381 Ca -0.01 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 2cca h ASP 381 Cb 1.22 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2cca h ASP 381 CO 0.08 1.18 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.54 2cca h LEU 382 N 0.85 0.00 -1.56 1.55 4.07 -1.25 -2.00 115.31 116.97 2cca h LEU 382 Ca 0.11 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.29 2cca h LEU 382 Cb 0.77 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 2cca h LEU 382 CO 0.06 0.17 0.60 0.28 -1.08 0.00 0.00 178.44 178.48 2cca h SER 383 N 0.00 0.36 0.51 -0.43 0.02 -1.39 0.48 113.55 113.11 2cca h SER 383 Ca -0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2cca h SER 383 Cb 0.33 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2cca h SER 383 CO 0.02 0.14 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.67 2cca h LEU 384 N 0.36 0.00 0.00 5.07 3.38 -1.48 0.06 115.31 122.70 2cca h LEU 384 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2cca h LEU 384 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2cca h LEU 384 CO -0.16 0.11 -1.26 -2.11 0.09 0.00 0.00 178.44 175.10 2cca n ARG 385 N -3.47 1.07 -0.04 1.13 1.85 -0.47 -2.53 116.66 114.20 2cca n ARG 385 Ca -0.01 -0.08 -0.20 0.00 -1.00 0.00 0.00 57.85 56.56 2cca n ARG 385 Cb 0.26 -1.19 -0.13 0.00 -1.05 0.00 0.00 32.46 30.35 2cca n ARG 385 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2cca h VAL 386 N 0.00 1.19 -2.66 8.89 2.07 -0.80 -3.43 116.25 121.51 2cca h VAL 386 Ca 0.00 -2.34 -0.53 0.00 0.82 0.00 0.00 66.70 64.66 2cca h VAL 386 Cb 0.43 2.75 0.04 0.00 -1.52 0.00 0.00 31.29 33.00 2cca h VAL 386 CO 0.00 0.58 1.02 -0.62 0.02 0.00 0.00 177.57 178.57 2cca s ASP 387 N -6.81 6.48 0.21 0.57 -1.08 -0.01 -4.90 116.67 111.13 2cca s ASP 387 Ca -0.22 2.71 -0.08 0.00 -0.52 0.00 0.00 52.55 54.44 2cca s ASP 387 Cb 0.03 -2.58 0.31 0.00 -1.46 0.00 0.00 42.92 39.22 2cca s ASP 387 CO 0.71 -0.94 1.75 -0.65 0.52 0.00 0.00 175.17 176.56 2cca h PRO 388 N 7.70 0.44 -0.01 4.34 0.11 -1.88 0.13 132.00 142.84 2cca h PRO 388 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cca h PRO 388 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2cca h PRO 388 CO 0.94 0.29 -0.00 0.82 -0.21 0.00 0.00 178.00 179.84 2cca h ILE 389 N 0.45 1.27 -0.26 4.15 2.04 -1.96 -2.69 117.51 120.52 2cca h ILE 389 Ca 0.33 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2cca h ILE 389 Cb 0.40 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2cca h ILE 389 CO -0.31 0.21 -0.10 1.88 0.00 0.00 0.00 178.15 179.83 2cca h TYR 390 N -0.32 0.45 -0.57 1.37 0.05 -1.78 -2.88 116.97 113.29 2cca h TYR 390 Ca 0.00 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 2cca h TYR 390 Cb 0.34 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 2cca h TYR 390 CO 0.04 0.53 0.22 1.49 -1.05 0.00 0.00 178.16 179.39 2cca h GLU 391 N 0.40 0.86 -0.53 4.88 4.22 -0.44 0.64 114.58 124.61 2cca h GLU 391 Ca 0.08 -0.16 -0.06 0.00 0.08 0.00 0.00 59.36 59.29 2cca h GLU 391 Cb 0.43 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2cca h GLU 391 CO 0.02 0.75 0.08 0.00 -2.18 0.00 0.00 179.01 177.68 2cca h ARG 392 N 0.79 0.84 -0.01 1.92 3.08 -1.34 -0.61 114.38 119.06 2cca h ARG 392 Ca 0.19 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2cca h ARG 392 Cb 0.22 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2cca h ARG 392 CO -0.01 0.80 -0.01 0.82 -1.07 0.00 0.00 179.97 180.49 2cca h ILE 393 N 0.80 1.39 0.00 2.04 2.04 -1.27 -3.05 117.51 119.46 2cca h ILE 393 Ca 0.17 -1.15 -0.18 0.00 1.00 0.00 0.00 64.86 64.69 2cca h ILE 393 Cb 0.37 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 2cca h ILE 393 CO 0.01 0.30 -0.86 0.71 0.00 0.00 0.00 178.15 178.32 2cca h THR 394 N -0.45 1.59 -0.61 -0.27 1.35 -0.83 -2.75 112.91 110.94 2cca h THR 394 Ca 0.00 -2.86 -0.08 0.00 -0.55 0.00 0.00 66.41 62.92 2cca h THR 394 Cb 0.50 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 2cca h THR 394 CO 0.00 0.82 0.06 0.03 -0.25 0.00 0.00 175.52 176.18 2cca h ARG 395 N 0.02 1.02 -0.57 4.72 3.08 -1.22 0.49 114.38 121.92 2cca h ARG 395 Ca -0.02 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 59.81 2cca h ARG 395 Cb 1.50 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 2cca h ARG 395 CO 0.11 0.96 0.28 -0.09 -1.07 0.00 0.00 179.97 180.16 2cca h ARG 396 N 0.95 0.50 0.00 0.04 9.65 -1.44 -2.60 114.38 121.48 2cca h ARG 396 Ca 0.18 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 2cca h ARG 396 Cb 0.47 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 2cca h ARG 396 CO 0.02 0.33 -0.40 -1.49 2.80 0.00 0.00 179.97 181.23 2cca h TRP 397 N 0.52 0.00 -0.91 2.20 6.55 -1.15 0.20 115.95 123.36 2cca h TRP 397 Ca 0.26 0.00 0.05 0.00 0.95 0.00 0.00 58.89 60.15 2cca h TRP 397 Cb 0.20 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.45 2cca h TRP 397 CO -0.11 0.40 0.59 1.25 -1.05 0.00 0.00 178.44 179.53 2cca h LEU 398 N 0.00 0.95 0.00 -4.49 5.85 -0.53 -2.29 115.31 114.81 2cca h LEU 398 Ca -0.00 -0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 2cca h LEU 398 Cb 0.97 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 2cca h LEU 398 CO 0.05 0.64 -1.67 -0.33 -0.34 0.00 0.00 178.44 176.79 2cca h GLU 399 N 1.10 0.00 -2.13 1.25 5.08 -1.22 -3.42 114.58 115.25 2cca h GLU 399 Ca 0.37 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 58.15 2cca h GLU 399 Cb 0.09 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.94 2cca h GLU 399 CO -0.12 0.53 -0.92 0.72 -1.00 0.00 0.00 179.01 178.21 2cca n HIS 400 N -3.07 0.95 0.30 4.33 8.25 0.67 -4.98 115.22 121.67 2cca n HIS 400 Ca -0.16 -3.75 0.20 0.00 -0.26 0.00 0.00 57.72 53.75 2cca n HIS 400 Cb 1.05 -0.38 1.01 0.00 1.12 0.00 0.00 29.99 32.79 2cca n HIS 400 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2cca h PRO 401 N 4.23 0.00 0.00 -0.41 0.13 -1.67 -1.58 132.00 132.70 2cca h PRO 401 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2cca h PRO 401 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2cca h PRO 401 CO 0.58 0.00 -0.27 1.05 -0.23 0.00 0.00 178.00 179.13 2cca h GLU 402 N 0.00 0.00 -0.31 0.86 9.09 -1.93 -1.59 114.58 120.70 2cca h GLU 402 Ca 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 2cca h GLU 402 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 2cca h GLU 402 CO 0.00 0.27 -0.43 0.93 0.05 0.00 0.00 179.01 179.83 2cca h GLU 403 N 0.00 0.77 -0.40 1.06 5.08 -1.66 -2.20 114.58 117.24 2cca h GLU 403 Ca -0.00 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2cca h GLU 403 Cb 0.49 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2cca h GLU 403 CO 0.04 1.05 0.23 1.25 -1.00 0.00 0.00 179.01 180.57 2cca h LEU 404 N 0.62 0.50 -0.78 1.33 5.85 -1.50 -1.15 115.31 120.18 2cca h LEU 404 Ca 0.04 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2cca h LEU 404 Cb 1.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2cca h LEU 404 CO 0.10 0.44 0.41 0.00 -0.34 0.00 0.00 178.44 179.04 2cca h ALA 405 N 1.08 1.00 0.23 1.25 0.00 -1.21 0.49 119.26 122.11 2cca h ALA 405 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2cca h ALA 405 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2cca h ALA 405 CO -0.02 0.52 -0.11 0.22 0.00 0.00 0.00 179.25 179.86 2cca h ASP 406 N 1.08 -0.26 -0.45 0.00 -0.00 -1.29 -1.91 116.42 113.60 2cca h ASP 406 Ca 0.27 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.03 57.18 2cca h ASP 406 Cb 0.06 0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 2cca h ASP 406 CO -0.04 -0.12 0.01 -0.33 -0.00 0.00 0.00 179.24 178.76 2cca h GLU 407 N -0.38 0.85 -0.44 0.28 4.39 -0.89 -2.22 114.58 116.16 2cca h GLU 407 Ca -0.03 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.29 2cca h GLU 407 Cb 0.29 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2cca h GLU 407 CO 0.05 0.85 -0.27 0.35 -1.16 0.00 0.00 179.01 178.83 2cca h PHE 408 N 0.80 1.12 -0.16 4.33 3.57 -0.93 -0.18 116.94 125.49 2cca h PHE 408 Ca 0.15 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.38 2cca h PHE 408 Cb 0.46 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2cca h PHE 408 CO 0.03 1.12 0.02 0.00 -2.23 0.00 0.00 178.31 177.25 2cca h ALA 409 N 0.83 0.16 -0.35 2.41 0.00 -1.11 0.18 119.26 121.36 2cca h ALA 409 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2cca h ALA 409 Cb 0.85 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2cca h ALA 409 CO 0.08 -0.42 0.14 0.87 0.00 0.00 0.00 179.25 179.92 2cca h LYS 410 N 0.08 0.53 -0.43 0.00 1.57 -1.33 -1.79 116.57 115.20 2cca h LYS 410 Ca 0.07 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2cca h LYS 410 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2cca h LYS 410 CO -0.11 0.52 -0.16 0.00 -0.57 0.00 0.00 179.45 179.13 2cca h ALA 411 N 0.99 0.60 -0.59 3.86 0.00 -0.88 -1.46 119.26 121.78 2cca h ALA 411 Ca 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2cca h ALA 411 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2cca h ALA 411 CO -0.01 0.54 0.19 2.35 0.00 0.00 0.00 179.25 182.32 2cca h TRP 412 N 0.70 0.95 -0.13 0.00 2.91 -0.66 0.12 115.95 119.85 2cca h TRP 412 Ca 0.10 -0.09 0.02 0.00 1.13 0.00 0.00 58.89 60.05 2cca h TRP 412 Cb 0.71 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 2cca h TRP 412 CO 0.05 0.79 -0.02 -0.92 -1.03 0.00 0.00 178.44 177.31 2cca h TYR 413 N 0.84 -0.05 -0.20 2.65 3.20 -1.23 -2.10 116.97 120.08 2cca h TYR 413 Ca 0.19 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2cca h TYR 413 Cb 0.28 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 2cca h TYR 413 CO 0.02 -0.04 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.27 2cca h LYS 414 N 0.02 0.06 -0.31 1.82 3.64 -1.04 -2.73 116.57 118.02 2cca h LYS 414 Ca 0.06 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2cca h LYS 414 Cb 0.09 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 2cca h LYS 414 CO -0.12 0.04 -0.19 1.25 -2.27 0.00 0.00 179.45 178.16 2cca h LEU 415 N 0.06 -0.62 -0.42 5.20 5.85 -0.43 0.17 115.31 125.12 2cca h LEU 415 Ca 0.09 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2cca h LEU 415 Cb 0.12 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2cca h LEU 415 CO -0.16 -0.22 -0.03 2.30 -0.34 0.00 0.00 178.44 179.99 2cca n ILE 416 N -5.35 0.00 -0.19 4.05 -5.35 -0.82 -3.70 119.36 107.99 2cca n ILE 416 Ca 0.01 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2cca n ILE 416 Cb 0.27 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 2cca n ILE 416 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2cca n HIS 417 N -0.55 0.00 0.04 4.28 8.25 -0.94 -4.85 115.22 121.45 2cca n HIS 417 Ca 0.20 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.81 2cca n HIS 417 Cb 0.24 0.00 0.63 0.00 1.12 0.00 0.00 29.99 31.98 2cca n HIS 417 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2cca h ARG 418 N 0.00 0.10 -0.61 -0.41 0.11 -0.76 -1.68 114.38 111.14 2cca h ARG 418 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2cca h ARG 418 Cb 0.10 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2cca h ARG 418 CO 0.00 0.07 0.00 -0.40 0.10 0.00 0.00 179.97 179.74 2cca n ASP 419 N -4.44 4.10 0.07 0.08 3.85 -1.26 -4.50 116.55 114.44 2cca n ASP 419 Ca 0.07 -2.23 0.13 0.00 -0.71 0.00 0.00 54.79 52.04 2cca n ASP 419 Cb 0.43 -0.48 0.41 0.00 -1.35 0.00 0.00 41.12 40.12 2cca n ASP 419 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2cca n MET 420 N 1.12 0.19 0.00 0.11 2.81 -0.63 -4.50 117.12 116.22 2cca n MET 420 Ca 0.23 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 2cca n MET 420 Cb 0.71 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2cca n MET 420 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cca n GLY 421 N 1.37 -0.64 3.56 3.03 0.00 -1.16 -4.84 105.19 106.51 2cca n GLY 421 Ca 0.06 -1.13 -0.45 0.00 0.00 0.00 0.00 46.02 44.49 2cca n GLY 421 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cca n PRO 422 N 0.00 1.11 0.32 1.61 -0.02 -1.26 -4.87 135.00 131.89 2cca n PRO 422 Ca 0.00 0.39 0.20 0.00 -2.02 0.00 0.00 63.50 62.06 2cca n PRO 422 Cb 0.00 -1.70 1.08 0.00 -0.02 0.00 0.00 33.50 32.86 2cca n PRO 422 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2cca h VAL 423 N 1.84 0.20 -0.36 -1.45 3.04 -1.90 -0.86 116.25 116.77 2cca h VAL 423 Ca -0.38 -0.06 0.10 0.00 -1.01 0.00 0.00 66.70 65.36 2cca h VAL 423 Cb 1.36 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 2cca h VAL 423 CO 0.60 0.01 0.41 0.00 -1.01 0.00 0.00 177.57 177.58 2cca h ALA 424 N 1.99 2.03 0.00 3.17 0.00 -1.91 -0.57 119.26 123.96 2cca h ALA 424 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2cca h ALA 424 Cb 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2cca h ALA 424 CO 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 179.25 178.39 2cca h ARG 425 N 0.00 0.00 -6.30 0.00 3.08 -1.46 -3.45 114.38 106.26 2cca h ARG 425 Ca 0.17 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.67 2cca h ARG 425 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2cca h ARG 425 CO -0.00 0.26 0.84 0.71 -1.07 0.00 0.00 179.97 180.70 2cca s TYR 426 N -3.28 2.86 0.22 3.04 4.12 -0.23 -4.60 117.35 119.48 2cca s TYR 426 Ca 0.03 0.91 0.11 0.00 0.02 0.00 0.00 57.07 58.14 2cca s TYR 426 Cb 0.08 -3.59 -0.05 0.00 -1.52 0.00 0.00 41.96 36.88 2cca s TYR 426 CO 0.68 -2.12 -0.21 -0.51 0.02 0.00 0.00 175.55 173.41 2cca s LEU 427 N 2.74 2.53 0.00 -1.29 1.43 -0.05 -4.87 118.68 119.17 2cca s LEU 427 Ca 0.61 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2cca s LEU 427 Cb -0.28 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2cca s LEU 427 CO 0.23 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.52 2cca n GLY 428 N -0.02 1.32 0.03 -3.19 0.00 -1.26 -0.62 105.19 101.46 2cca n GLY 428 Ca -0.10 -2.11 0.15 0.00 0.00 0.00 0.00 46.02 43.96 2cca n GLY 428 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cca n PRO 429 N 0.37 0.72 -0.15 1.61 -0.04 -1.26 -3.61 135.00 132.63 2cca n PRO 429 Ca 0.00 -0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 2cca n PRO 429 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.15 2cca n PRO 429 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cca n LEU 430 N -1.08 3.28 -4.66 1.53 4.77 -1.26 -4.94 117.00 114.63 2cca n LEU 430 Ca 0.18 -1.43 -0.43 0.00 -0.03 0.00 0.00 56.01 54.30 2cca n LEU 430 Cb 0.20 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2cca n LEU 430 CO 0.21 0.69 1.20 -0.69 -1.33 0.00 0.00 177.39 177.47 2cca s VAL 431 N -1.48 3.95 0.68 4.08 1.01 -1.09 -1.46 120.40 126.10 2cca s VAL 431 Ca 0.35 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 2cca s VAL 431 Cb 0.21 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2cca s VAL 431 CO 0.29 -0.09 1.11 -2.16 0.00 0.00 0.00 175.10 174.25 2cca s PRO 432 N 3.60 2.71 0.19 2.72 0.04 -1.26 -4.96 135.00 138.05 2cca s PRO 432 Ca 0.63 1.36 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2cca s PRO 432 Cb -0.27 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.42 2cca s PRO 432 CO 0.22 -1.31 1.45 0.87 0.04 0.00 0.00 177.00 178.26 2cca h LYS 433 N -0.14 0.14 -6.45 4.56 6.56 -1.94 -3.46 116.57 115.85 2cca h LYS 433 Ca -0.46 -0.14 -0.53 0.00 -1.06 0.00 0.00 60.65 58.46 2cca h LYS 433 Cb 1.24 0.04 0.02 0.00 -0.57 0.00 0.00 32.23 32.97 2cca h LYS 433 CO 0.54 0.86 1.05 -1.14 -2.06 0.00 0.00 179.45 178.69 2cca s GLN 434 N -3.33 4.18 0.36 3.15 0.74 -1.26 -5.00 119.66 118.49 2cca s GLN 434 Ca -0.02 2.41 -0.17 0.00 0.05 0.00 0.00 55.36 57.63 2cca s GLN 434 Cb 0.11 -3.65 -0.09 0.00 1.10 0.00 0.00 33.01 30.47 2cca s GLN 434 CO 0.81 -0.78 0.80 0.95 -0.55 0.00 0.00 175.29 176.52 2cca s THR 435 N 2.85 4.60 0.04 -0.34 -4.23 -1.26 -5.09 115.64 112.21 2cca s THR 435 Ca 0.77 1.09 0.06 0.00 -1.18 0.00 0.00 61.69 62.42 2cca s THR 435 Cb -0.41 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 69.79 2cca s THR 435 CO 0.34 -0.24 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.25 2cca s LEU 436 N -3.08 2.16 0.31 4.79 1.43 -1.26 -5.05 118.68 117.98 2cca s LEU 436 Ca 0.56 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2cca s LEU 436 Cb -0.10 -0.74 0.52 0.00 0.03 0.00 0.00 46.19 45.89 2cca s LEU 436 CO 0.17 0.09 1.96 0.25 0.23 0.00 0.00 176.35 179.05 2cca h LEU 437 N 5.00 0.88 -1.17 1.79 5.85 -1.97 -1.47 115.31 124.22 2cca h LEU 437 Ca -0.39 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2cca h LEU 437 Cb 1.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2cca h LEU 437 CO 0.44 0.62 0.00 4.11 -0.34 0.00 0.00 178.44 183.27 2cca h TRP 438 N 1.03 0.00 -0.07 1.25 5.08 -1.96 -1.89 115.95 119.39 2cca h TRP 438 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.28 2cca h TRP 438 Cb -0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.14 2cca h TRP 438 CO -0.00 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.20 2cca n GLN 439 N -2.38 1.25 -3.90 0.12 6.02 -0.55 -4.94 117.38 112.99 2cca n GLN 439 Ca 0.00 -0.37 -0.40 0.00 -0.01 0.00 0.00 57.00 56.22 2cca n GLN 439 Cb 0.16 -1.24 0.03 0.00 1.02 0.00 0.00 30.24 30.21 2cca n GLN 439 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2cca n ASP 440 N -0.34 -4.70 -4.79 1.08 8.00 -0.71 -4.73 116.55 110.36 2cca n ASP 440 Ca 0.11 -1.17 -0.33 0.00 0.71 0.00 0.00 54.79 54.11 2cca n ASP 440 Cb 0.13 -2.42 0.04 0.00 -0.02 0.00 0.00 41.12 38.85 2cca n ASP 440 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cca s PRO 441 N -6.77 2.94 0.12 -0.24 0.04 -1.26 -5.04 135.00 124.79 2cca s PRO 441 Ca 0.48 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2cca s PRO 441 Cb -0.23 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2cca s PRO 441 CO 0.92 -1.12 -0.16 0.14 0.04 0.00 0.00 177.00 176.82 2cca s VAL 442 N -2.48 1.48 0.77 -0.36 -7.23 -1.26 -4.81 120.40 106.50 2cca s VAL 442 Ca 0.65 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.98 2cca s VAL 442 Cb -0.18 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.26 2cca s VAL 442 CO 0.42 -0.31 1.19 -2.65 -0.31 0.00 0.00 175.10 173.44 2cca n PRO 443 N 0.65 0.42 -1.65 4.82 -0.02 -1.26 -4.99 135.00 132.97 2cca n PRO 443 Ca -0.16 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 2cca n PRO 443 Cb 0.56 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2cca n PRO 443 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cca s ALA 444 N -1.93 2.50 0.01 3.55 0.00 -1.26 -4.73 121.76 119.90 2cca s ALA 444 Ca 0.75 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 2cca s ALA 444 Cb -0.32 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 2cca s ALA 444 CO 0.48 -1.31 1.68 0.08 0.00 0.00 0.00 175.76 176.70 2cca s VAL 445 N -2.63 3.31 -0.78 0.00 1.01 -1.26 -4.89 120.40 115.15 2cca s VAL 445 Ca 0.63 0.56 0.08 0.00 0.00 0.00 0.00 61.98 63.25 2cca s VAL 445 Cb -0.18 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2cca s VAL 445 CO 0.47 -0.03 0.59 -1.54 0.00 0.00 0.00 175.10 174.59 2cca n SER 446 N 6.48 1.16 -4.02 3.32 3.41 -1.26 -5.03 113.62 117.68 2cca n SER 446 Ca 0.17 -1.08 -0.16 0.00 -0.26 0.00 0.00 58.87 57.53 2cca n SER 446 Cb 0.42 0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 2cca n SER 446 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2cca s HIS 447 N -1.14 1.47 0.41 7.33 3.76 -1.26 -5.12 115.29 120.74 2cca s HIS 447 Ca 0.07 -1.39 -0.26 0.00 -0.15 0.00 0.00 55.06 53.34 2cca s HIS 447 Cb 0.07 -0.75 -0.08 0.00 1.11 0.00 0.00 32.58 32.93 2cca s HIS 447 CO 0.19 -0.58 1.28 -0.51 -0.85 0.00 0.00 174.74 174.27 2cca s ASP 448 N -3.30 6.28 0.33 1.40 1.01 -0.61 -4.86 116.67 116.93 2cca s ASP 448 Ca 0.38 2.60 -0.16 0.00 0.71 0.00 0.00 52.55 56.08 2cca s ASP 448 Cb 0.06 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 2cca s ASP 448 CO 0.17 -0.87 0.76 -0.76 0.21 0.00 0.00 175.17 174.68 2cca s LEU 449 N -2.52 4.06 0.23 1.23 1.43 -1.26 -2.45 118.68 119.40 2cca s LEU 449 Ca 0.58 1.34 -0.31 0.00 -1.03 0.00 0.00 54.13 54.70 2cca s LEU 449 Cb -0.37 -4.13 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 2cca s LEU 449 CO 0.47 -0.22 1.39 1.33 0.23 0.00 0.00 176.35 179.55 2cca n VAL 450 N -0.37 0.92 -3.02 -1.59 0.24 -1.26 -4.91 118.33 108.33 2cca n VAL 450 Ca 0.04 -0.23 -0.08 0.00 -2.04 0.00 0.00 64.34 62.03 2cca n VAL 450 Cb 0.53 -1.42 0.03 0.00 -1.47 0.00 0.00 33.84 31.51 2cca n VAL 450 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2cca n GLY 451 N 2.17 1.95 0.30 7.63 0.00 -1.26 -4.84 105.19 111.14 2cca n GLY 451 Ca 0.12 -2.17 0.09 0.00 0.00 0.00 0.00 46.02 44.07 2cca n GLY 451 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2cca h GLU 452 N 0.00 0.40 -0.29 1.61 4.81 -1.99 -0.16 114.58 118.96 2cca h GLU 452 Ca -0.11 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 2cca h GLU 452 Cb 0.49 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2cca h GLU 452 CO 0.15 0.26 -0.30 0.00 -0.73 0.00 0.00 179.01 178.39 2cca h ALA 453 N 1.64 0.43 -0.28 2.92 0.00 -1.99 -1.88 119.26 120.10 2cca h ALA 453 Ca 0.49 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2cca h ALA 453 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2cca h ALA 453 CO -0.48 0.45 -0.43 0.93 0.00 0.00 0.00 179.25 179.72 2cca h GLU 454 N 0.46 0.69 -0.18 0.00 3.07 -1.78 -0.85 114.58 115.99 2cca h GLU 454 Ca 0.04 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 2cca h GLU 454 Cb 0.88 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 2cca h GLU 454 CO 0.07 0.98 0.09 0.82 -1.40 0.00 0.00 179.01 179.58 2cca h ILE 455 N 0.56 1.12 -0.66 3.13 2.04 -1.04 0.71 117.51 123.37 2cca h ILE 455 Ca 0.04 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2cca h ILE 455 Cb 0.97 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2cca h ILE 455 CO 0.09 0.11 0.41 0.00 0.00 0.00 0.00 178.15 178.76 2cca h ALA 456 N 0.97 0.84 -0.25 1.87 0.00 -1.25 -1.00 119.26 120.43 2cca h ALA 456 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2cca h ALA 456 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2cca h ALA 456 CO -0.01 0.30 0.16 1.03 0.00 0.00 0.00 179.25 180.72 2cca h SER 457 N 0.89 0.30 -0.24 0.00 0.87 -0.98 -2.33 113.55 112.06 2cca h SER 457 Ca 0.24 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 2cca h SER 457 Cb -0.05 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2cca h SER 457 CO -0.05 0.25 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.24 2cca h LEU 458 N 0.32 0.70 -0.34 2.23 3.38 -0.62 -0.95 115.31 120.03 2cca h LEU 458 Ca 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2cca h LEU 458 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2cca h LEU 458 CO -0.02 0.89 0.22 0.11 0.09 0.00 0.00 178.44 179.72 2cca h LYS 459 N 0.62 0.46 -0.40 1.13 1.57 -1.09 -0.34 116.57 118.51 2cca h LYS 459 Ca 0.09 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2cca h LYS 459 Cb 0.67 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2cca h LYS 459 CO 0.05 0.33 0.25 0.77 -0.57 0.00 0.00 179.45 180.28 2cca h SER 460 N 0.45 0.43 -0.86 0.86 0.02 -1.18 -1.56 113.55 111.72 2cca h SER 460 Ca 0.12 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2cca h SER 460 Cb -0.02 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2cca h SER 460 CO -0.02 0.31 0.56 1.56 -1.14 0.00 0.00 176.83 178.09 2cca h GLN 461 N 0.52 1.13 -0.49 3.45 4.20 -0.96 -1.29 115.11 121.67 2cca h GLN 461 Ca 0.15 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2cca h GLN 461 Cb -0.04 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 2cca h GLN 461 CO -0.05 0.76 -0.17 0.82 -0.67 0.00 0.00 178.83 179.52 2cca h ILE 462 N 1.16 1.27 0.00 2.54 2.04 -0.88 -1.95 117.51 121.70 2cca h ILE 462 Ca 0.31 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2cca h ILE 462 Cb -0.12 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2cca h ILE 462 CO -0.07 0.46 -0.26 0.03 0.00 0.00 0.00 178.15 178.32 2cca h ARG 463 N 0.85 0.00 -0.00 2.37 3.08 -0.96 -2.42 114.38 117.29 2cca h ARG 463 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2cca h ARG 463 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2cca h ARG 463 CO 0.06 0.26 -0.19 0.00 -1.07 0.00 0.00 179.97 179.03 2cca n ALA 464 N -2.41 2.88 0.36 0.04 0.00 -0.52 -4.24 120.51 116.62 2cca n ALA 464 Ca -0.02 -0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.30 2cca n ALA 464 Cb 0.33 -1.30 0.50 0.00 0.00 0.00 0.00 19.45 18.98 2cca n ALA 464 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2cca h SER 465 N 0.38 0.00 0.00 0.00 4.64 -0.83 -3.47 113.55 114.27 2cca h SER 465 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cca h SER 465 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2cca h SER 465 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2cca n GLY 466 N 0.41 0.85 3.74 -0.77 0.00 -1.26 -5.05 105.19 103.10 2cca n GLY 466 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2cca n GLY 466 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cca s LEU 467 N 0.00 4.46 0.77 0.99 1.43 -1.26 -5.03 118.68 120.04 2cca s LEU 467 Ca 0.00 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 2cca s LEU 467 Cb 0.00 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2cca s LEU 467 CO 0.00 -0.31 1.12 0.42 0.23 0.00 0.00 176.35 177.80 2cca s THR 468 N -0.07 2.95 0.18 5.49 -4.23 -1.26 -4.89 115.64 113.81 2cca s THR 468 Ca 0.52 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 61.21 2cca s THR 468 Cb -0.31 -3.20 0.08 0.00 1.34 0.00 0.00 72.50 70.41 2cca s THR 468 CO 0.36 -0.41 1.81 0.58 -0.54 0.00 0.00 174.62 176.42 2cca h VAL 469 N -0.95 1.17 -0.25 2.29 2.07 -1.92 -1.94 116.25 116.73 2cca h VAL 469 Ca -0.46 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2cca h VAL 469 Cb 1.28 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2cca h VAL 469 CO 0.63 0.18 0.06 -1.28 0.02 0.00 0.00 177.57 177.18 2cca h SER 470 N 0.78 0.04 -0.36 0.57 0.87 -1.85 -0.85 113.55 112.75 2cca h SER 470 Ca 0.21 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2cca h SER 470 Cb -0.01 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2cca h SER 470 CO -0.04 0.06 0.21 1.56 -0.53 0.00 0.00 176.83 178.08 2cca h GLN 471 N 0.16 0.41 -0.16 2.24 4.20 -1.84 -0.23 115.11 119.89 2cca h GLN 471 Ca 0.11 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 2cca h GLN 471 Cb 0.10 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2cca h GLN 471 CO -0.13 0.27 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.05 2cca h LEU 472 N 0.42 0.44 -0.14 1.46 3.38 -1.19 -2.22 115.31 117.47 2cca h LEU 472 Ca 0.15 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2cca h LEU 472 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2cca h LEU 472 CO -0.07 0.84 0.04 0.58 0.09 0.00 0.00 178.44 179.92 2cca h VAL 473 N 0.05 1.18 -0.47 1.22 2.07 -1.15 -2.12 116.25 117.04 2cca h VAL 473 Ca 0.02 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2cca h VAL 473 Cb 0.72 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2cca h VAL 473 CO 0.04 0.17 0.21 0.28 0.02 0.00 0.00 177.57 178.29 2cca h SER 474 N 0.04 0.27 -0.25 0.57 0.02 -1.07 -0.10 113.55 113.03 2cca h SER 474 Ca 0.04 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2cca h SER 474 Cb 0.23 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2cca h SER 474 CO -0.00 0.20 0.00 0.74 -1.14 0.00 0.00 176.83 176.63 2cca h THR 475 N 0.42 1.25 -0.70 -2.27 2.02 -1.38 1.00 112.91 113.25 2cca h THR 475 Ca 0.21 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 2cca h THR 475 Cb 0.16 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2cca h THR 475 CO -0.18 0.28 0.24 0.00 0.37 0.00 0.00 175.52 176.24 2cca h ALA 476 N 0.82 1.11 -0.12 6.16 0.00 -1.22 -1.22 119.26 124.78 2cca h ALA 476 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2cca h ALA 476 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2cca h ALA 476 CO 0.01 0.62 0.05 2.35 0.00 0.00 0.00 179.25 182.29 2cca h TRP 477 N 1.03 0.18 -0.79 0.00 2.91 -0.84 -1.75 115.95 116.69 2cca h TRP 477 Ca 0.23 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.36 2cca h TRP 477 Cb 0.25 -0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 28.77 2cca h TRP 477 CO 0.02 0.25 0.40 0.00 -1.03 0.00 0.00 178.44 178.08 2cca h ALA 478 N 0.91 1.13 0.15 2.65 0.00 -0.38 0.38 119.26 124.10 2cca h ALA 478 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2cca h ALA 478 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2cca h ALA 478 CO -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.13 2cca h ALA 479 N 1.49 -0.20 -0.17 0.00 0.00 -1.16 -3.31 119.26 115.92 2cca h ALA 479 Ca 0.40 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2cca h ALA 479 Cb 0.49 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2cca h ALA 479 CO -0.31 -0.35 -0.67 0.00 0.00 0.00 0.00 179.25 177.93 2cca h ALA 480 N -0.01 0.51 0.00 0.00 0.00 -1.15 -3.16 119.26 115.45 2cca h ALA 480 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2cca h ALA 480 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cca h ALA 480 CO 0.03 0.71 0.00 -1.13 0.00 0.00 0.00 179.25 178.86 2cca n SER 481 N -3.93 0.00 0.01 0.00 3.41 0.11 -2.57 113.62 110.66 2cca n SER 481 Ca -0.05 -0.93 0.10 0.00 -0.26 0.00 0.00 58.87 57.74 2cca n SER 481 Cb 0.68 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.08 2cca n SER 481 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cca n SER 482 N -0.94 0.07 -4.77 4.04 3.41 -1.20 -4.81 113.62 109.42 2cca n SER 482 Ca 0.18 0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 58.90 2cca n SER 482 Cb 0.08 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 2cca n SER 482 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2cca s PHE 483 N -3.02 3.16 -0.05 7.33 5.36 -1.06 -4.02 117.98 125.68 2cca s PHE 483 Ca 0.10 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 57.60 2cca s PHE 483 Cb 0.13 -3.52 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 2cca s PHE 483 CO 0.39 -1.44 -0.10 -0.98 -1.46 0.00 0.00 175.22 171.63 2cca s ARG 484 N -1.86 1.31 0.00 10.12 1.70 -0.51 -4.53 118.95 125.18 2cca s ARG 484 Ca 0.50 -0.32 0.26 0.00 -0.47 0.00 0.00 55.73 55.70 2cca s ARG 484 Cb -0.36 -1.15 1.36 0.00 -0.57 0.00 0.00 34.95 34.23 2cca s ARG 484 CO 0.47 0.03 1.87 0.41 -1.08 0.00 0.00 175.30 177.00 2cca n GLY 485 N 3.71 -1.04 0.26 3.88 0.00 0.17 -1.10 105.19 111.06 2cca n GLY 485 Ca -0.22 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 2cca n GLY 485 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cca h SER 486 N 0.00 -0.51 -0.37 1.61 4.64 -1.84 -3.36 113.55 113.71 2cca h SER 486 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2cca h SER 486 Cb 0.17 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2cca h SER 486 CO 0.00 -0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 174.90 2cca n ASP 487 N -4.77 3.02 -2.13 4.97 3.85 -1.17 -4.81 116.55 115.51 2cca n ASP 487 Ca -0.08 -1.93 -0.20 0.00 -0.71 0.00 0.00 54.79 51.88 2cca n ASP 487 Cb 0.24 -0.25 -0.03 0.00 -1.35 0.00 0.00 41.12 39.73 2cca n ASP 487 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2cca n LYS 488 N 0.80 -1.66 -2.82 0.11 5.02 -0.26 -2.98 118.16 116.37 2cca n LYS 488 Ca 0.14 1.02 -0.28 0.00 -2.02 0.00 0.00 58.31 57.17 2cca n LYS 488 Cb 0.45 -5.58 -0.01 0.00 -0.02 0.00 0.00 35.03 29.87 2cca n LYS 488 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cca s ARG 489 N -4.59 3.60 0.00 1.97 0.52 -1.21 -4.21 118.95 115.03 2cca s ARG 489 Ca 0.00 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2cca s ARG 489 Cb 0.00 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.04 2cca s ARG 489 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2cca n GLY 490 N -1.87 -0.76 0.00 -3.53 0.00 -1.26 -1.43 105.19 96.34 2cca n GLY 490 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2cca n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cca n GLY 491 N -0.73 0.51 0.10 -0.02 0.00 -1.26 -4.43 105.19 99.36 2cca n GLY 491 Ca 0.00 -2.31 0.12 0.00 0.00 0.00 0.00 46.02 43.82 2cca n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca h ALA 492 N 0.00 0.56 -2.76 4.61 0.00 -1.76 -3.42 119.26 116.49 2cca h ALA 492 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2cca h ALA 492 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.84 2cca h ALA 492 CO 0.00 0.00 0.69 1.21 0.00 0.00 0.00 179.25 181.15 2cca s ASN 493 N -4.90 6.78 0.00 0.00 3.84 -1.26 -2.42 114.94 116.97 2cca s ASN 493 Ca 0.03 2.58 0.00 0.00 0.21 0.00 0.00 52.86 55.67 2cca s ASN 493 Cb 0.11 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 2cca s ASN 493 CO 0.75 -0.59 0.00 0.61 -2.79 0.00 0.00 177.10 175.09 2cca n GLY 494 N 1.86 2.70 2.53 1.21 0.00 -0.36 -4.61 105.19 108.53 2cca n GLY 494 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2cca n GLY 494 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cca n GLY 495 N -0.69 -0.41 0.00 -0.02 0.00 -1.02 -0.09 105.19 102.97 2cca n GLY 495 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.07 2cca n GLY 495 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cca n ARG 496 N -3.12 0.39 0.27 1.61 1.74 -1.26 -3.04 116.66 113.26 2cca n ARG 496 Ca -0.19 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.06 2cca n ARG 496 Cb 0.65 -1.50 0.70 0.00 -1.02 0.00 0.00 32.46 31.29 2cca n ARG 496 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2cca h ILE 497 N 0.00 0.89 -0.01 0.55 6.09 -1.92 -1.73 117.51 121.38 2cca h ILE 497 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2cca h ILE 497 Cb 0.12 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.41 2cca h ILE 497 CO 0.00 0.00 -0.27 -2.11 -3.07 0.00 0.00 178.15 172.70 2cca n ARG 498 N -4.38 0.83 -3.71 2.19 1.85 -1.17 -2.93 116.66 109.33 2cca n ARG 498 Ca -0.03 -0.49 -0.21 0.00 -1.00 0.00 0.00 57.85 56.12 2cca n ARG 498 Cb 0.09 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.99 2cca n ARG 498 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2cca s LEU 499 N -2.51 3.68 0.36 2.89 1.43 -0.65 -4.81 118.68 119.06 2cca s LEU 499 Ca 0.24 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.65 2cca s LEU 499 Cb 0.19 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 2cca s LEU 499 CO 0.53 -0.39 1.08 -1.10 0.23 0.00 0.00 176.35 176.70 2cca s GLN 500 N -4.05 4.32 0.00 1.70 -1.52 -1.26 -1.17 119.66 117.68 2cca s GLN 500 Ca 0.42 1.66 0.25 0.00 -1.95 0.00 0.00 55.36 55.74 2cca s GLN 500 Cb -0.07 -2.79 0.56 0.00 -0.22 0.00 0.00 33.01 30.49 2cca s GLN 500 CO 0.28 -0.04 1.45 -0.35 -0.25 0.00 0.00 175.29 176.38 2cca n PRO 501 N 0.40 0.03 -0.02 2.91 -0.04 -1.26 -4.72 135.00 132.29 2cca n PRO 501 Ca 0.03 -0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 2cca n PRO 501 Cb 0.47 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.91 2cca n PRO 501 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2cca h GLN 502 N 0.04 0.45 0.00 0.54 4.20 -1.66 -0.29 115.11 118.38 2cca h GLN 502 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2cca h GLN 502 Cb 0.50 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2cca h GLN 502 CO 0.00 0.30 -0.05 -0.24 -0.67 0.00 0.00 178.83 178.17 2cca h VAL 503 N 0.46 0.19 -0.01 -0.54 3.04 -1.02 -2.99 116.25 115.38 2cca h VAL 503 Ca 0.20 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2cca h VAL 503 Cb 0.21 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2cca h VAL 503 CO -0.05 0.05 -0.17 0.61 -1.01 0.00 0.00 177.57 177.00 2cca n GLY 504 N -0.47 -0.03 3.73 3.17 0.00 -0.15 -4.42 105.19 107.03 2cca n GLY 504 Ca -0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2cca n GLY 504 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2cca n TRP 505 N 0.26 2.75 -0.11 1.61 8.01 -1.01 -4.75 117.44 124.21 2cca n TRP 505 Ca 0.07 0.29 -0.05 0.00 -1.31 0.00 0.00 57.50 56.50 2cca n TRP 505 Cb 0.33 -2.57 0.02 0.00 -2.01 0.00 0.00 31.31 27.08 2cca n TRP 505 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 2cca h GLU 506 N 4.60 0.22 -0.66 -0.99 4.57 -1.93 -2.13 114.58 118.26 2cca h GLU 506 Ca -0.47 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 57.79 2cca h GLU 506 Cb 1.23 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 2cca h GLU 506 CO 0.78 0.15 0.44 -0.24 -1.18 0.00 0.00 179.01 178.95 2cca h VAL 507 N 0.23 0.92 0.00 0.32 3.04 -1.91 0.37 116.25 119.22 2cca h VAL 507 Ca 0.18 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2cca h VAL 507 Cb 0.20 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2cca h VAL 507 CO -0.22 0.10 0.00 0.59 -1.01 0.00 0.00 177.57 177.03 2cca n ASN 508 N -4.48 0.00 -3.16 3.17 3.02 -0.83 -4.90 115.26 108.08 2cca n ASN 508 Ca 0.11 0.27 -0.19 0.00 -0.03 0.00 0.00 54.58 54.73 2cca n ASN 508 Cb 0.35 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2cca n ASN 508 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2cca n ASP 509 N -1.41 -6.90 0.22 6.41 2.03 0.13 -4.75 116.55 112.28 2cca n ASP 509 Ca 0.08 0.14 0.09 0.00 0.52 0.00 0.00 54.79 55.63 2cca n ASP 509 Cb 0.26 -3.86 0.46 0.00 -0.72 0.00 0.00 41.12 37.26 2cca n ASP 509 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2cca h PRO 510 N 1.74 0.00 0.00 -0.67 0.13 -1.77 -2.25 132.00 129.18 2cca h PRO 510 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2cca h PRO 510 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2cca h PRO 510 CO 0.23 0.26 -0.31 -0.25 -0.23 0.00 0.00 178.00 177.69 2cca n ASP 511 N -3.49 0.52 -1.66 1.44 10.43 -1.26 -4.60 116.55 117.92 2cca n ASP 511 Ca -0.00 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.58 2cca n ASP 511 Cb 0.42 -0.18 0.00 0.00 1.84 0.00 0.00 41.12 43.20 2cca n ASP 511 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2cca n GLY 512 N 1.41 0.79 0.05 0.44 0.00 -0.84 -4.93 105.19 102.10 2cca n GLY 512 Ca 0.05 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.82 2cca n GLY 512 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cca n ASP 513 N 0.00 0.18 -0.12 1.61 10.43 -1.26 -4.42 116.55 122.97 2cca n ASP 513 Ca 0.00 -0.79 -0.05 0.00 2.57 0.00 0.00 54.79 56.52 2cca n ASP 513 Cb 0.00 -0.08 0.02 0.00 1.84 0.00 0.00 41.12 42.90 2cca n ASP 513 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2cca h LEU 514 N 0.26 -0.35 -1.29 0.64 5.85 -1.83 -0.61 115.31 117.98 2cca h LEU 514 Ca 0.00 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2cca h LEU 514 Cb 0.15 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2cca h LEU 514 CO 0.00 -0.12 -0.35 0.03 -0.34 0.00 0.00 178.44 177.66 2cca h ARG 515 N 0.01 0.01 -0.39 1.25 3.08 -1.81 -0.41 114.38 116.11 2cca h ARG 515 Ca 0.19 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 2cca h ARG 515 Cb 0.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2cca h ARG 515 CO -0.40 0.36 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.56 2cca h LYS 516 N 0.01 0.75 -0.27 0.04 3.64 -1.52 -1.71 116.57 117.51 2cca h LYS 516 Ca -0.00 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 2cca h LYS 516 Cb 0.62 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2cca h LYS 516 CO 0.05 0.88 0.07 0.28 -2.27 0.00 0.00 179.45 178.45 2cca h VAL 517 N 0.56 1.21 -0.20 2.00 2.07 -0.65 -1.69 116.25 119.56 2cca h VAL 517 Ca 0.10 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.96 2cca h VAL 517 Cb 0.59 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2cca h VAL 517 CO 0.04 0.23 -0.02 0.40 0.02 0.00 0.00 177.57 178.23 2cca h ILE 518 N 0.27 0.83 -0.36 4.57 2.04 -1.10 -1.84 117.51 121.93 2cca h ILE 518 Ca 0.09 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2cca h ILE 518 Cb 0.28 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2cca h ILE 518 CO 0.00 0.01 0.17 -0.09 0.00 0.00 0.00 178.15 178.24 2cca h ARG 519 N 0.03 0.35 -0.37 2.37 2.43 -1.22 -1.21 114.38 116.76 2cca h ARG 519 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2cca h ARG 519 Cb 0.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2cca h ARG 519 CO -0.18 0.23 0.24 1.15 -1.51 0.00 0.00 179.97 179.90 2cca h THR 520 N 0.36 1.08 -0.17 0.20 2.02 -1.15 -1.43 112.91 113.82 2cca h THR 520 Ca 0.15 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 2cca h THR 520 Cb 0.06 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2cca h THR 520 CO -0.11 0.09 -0.31 -0.07 0.37 0.00 0.00 175.52 175.49 2cca h LEU 521 N 0.48 0.34 -0.80 2.58 3.38 -1.11 -1.67 115.31 118.51 2cca h LEU 521 Ca 0.14 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2cca h LEU 521 Cb -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2cca h LEU 521 CO -0.04 0.64 -0.17 -0.33 0.09 0.00 0.00 178.44 178.63 2cca h GLU 522 N 0.29 0.72 -0.63 1.13 5.08 -1.00 -0.43 114.58 119.74 2cca h GLU 522 Ca 0.04 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2cca h GLU 522 Cb 0.69 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2cca h GLU 522 CO 0.05 0.84 0.13 0.93 -1.00 0.00 0.00 179.01 179.97 2cca h GLU 523 N 0.64 1.02 -0.41 2.33 5.08 -0.81 -0.38 114.58 122.06 2cca h GLU 523 Ca 0.10 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 2cca h GLU 523 Cb 0.64 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2cca h GLU 523 CO 0.05 0.93 -0.17 0.82 -1.00 0.00 0.00 179.01 179.64 2cca h ILE 524 N 0.93 1.26 -0.24 3.13 2.04 -1.16 -0.37 117.51 123.11 2cca h ILE 524 Ca 0.19 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2cca h ILE 524 Cb 0.39 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2cca h ILE 524 CO 0.01 0.42 0.10 -0.61 0.00 0.00 0.00 178.15 178.07 2cca h GLN 525 N 0.68 0.35 0.16 2.37 4.15 -0.85 0.06 115.11 122.03 2cca h GLN 525 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2cca h GLN 525 Cb 0.66 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2cca h GLN 525 CO 0.05 0.39 -0.13 1.49 -1.93 0.00 0.00 178.83 178.69 2cca h GLU 526 N 0.24 -0.30 -0.02 1.69 4.81 -0.93 -0.63 114.58 119.44 2cca h GLU 526 Ca 0.08 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2cca h GLU 526 Cb 0.16 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2cca h GLU 526 CO -0.01 -0.20 -0.22 0.77 -0.73 0.00 0.00 179.01 178.62 2cca h SER 527 N -0.31 -0.66 -0.55 1.04 0.02 -1.02 0.45 113.55 112.51 2cca h SER 527 Ca -0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2cca h SER 527 Cb 0.28 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2cca h SER 527 CO -0.02 -0.29 0.35 0.15 -1.14 0.00 0.00 176.83 175.88 2cca h PHE 528 N -0.34 0.72 -0.20 3.45 3.57 -0.91 0.13 116.94 123.36 2cca h PHE 528 Ca 0.07 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 2cca h PHE 528 Cb 0.43 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2cca h PHE 528 CO -0.27 0.48 -0.55 -0.91 -2.23 0.00 0.00 178.31 174.82 2cca h ASN 529 N 0.75 0.68 -0.07 0.41 2.35 -0.89 -1.86 115.58 116.96 2cca h ASN 529 Ca 0.20 -0.37 -0.19 0.00 -0.55 0.00 0.00 56.30 55.40 2cca h ASN 529 Cb -0.05 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.14 2cca h ASN 529 CO -0.04 1.10 -0.68 0.28 -1.65 0.00 0.00 177.43 176.43 2cca h SER 530 N 0.47 0.72 0.23 5.81 0.02 -0.79 -3.39 113.55 116.62 2cca h SER 530 Ca 0.01 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.26 2cca h SER 530 Cb 1.11 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2cca h SER 530 CO 0.11 1.30 -0.11 0.00 -1.14 0.00 0.00 176.83 176.98 2cca h ALA 531 N 0.43 -0.31 -2.47 3.77 0.00 -0.76 -3.44 119.26 116.49 2cca h ALA 531 Ca -0.07 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.15 2cca h ALA 531 Cb 1.34 0.12 0.03 0.00 0.00 0.00 0.00 17.79 19.29 2cca h ALA 531 CO 0.14 -0.34 1.12 0.00 0.00 0.00 0.00 179.25 180.17 2cca s ALA 532 N -3.62 3.72 0.00 0.00 0.00 -0.70 -5.00 121.76 116.16 2cca s ALA 532 Ca -0.10 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2cca s ALA 532 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2cca s ALA 532 CO 0.34 -1.28 0.00 -0.35 0.00 0.00 0.00 175.76 174.47 2cca n PRO 533 N 6.06 0.00 0.00 0.00 -0.04 -1.26 -4.85 135.00 134.90 2cca n PRO 533 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2cca n PRO 533 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2cca n PRO 533 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cca n GLY 534 N 3.42 0.87 0.10 0.55 0.00 -1.26 -4.07 105.19 104.80 2cca n GLY 534 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.42 2cca n GLY 534 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cca n ASN 535 N -3.50 2.15 -4.71 1.61 4.05 -1.26 -5.04 115.26 108.57 2cca n ASN 535 Ca 0.00 -2.95 -0.40 0.00 0.45 0.00 0.00 54.58 51.68 2cca n ASN 535 Cb 0.00 -0.39 -0.05 0.00 1.23 0.00 0.00 39.78 40.57 2cca n ASN 535 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2cca s ILE 536 N -2.57 5.02 0.06 -1.44 1.01 -1.26 -1.57 121.20 120.46 2cca s ILE 536 Ca 0.28 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.45 2cca s ILE 536 Cb 0.24 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2cca s ILE 536 CO 0.03 0.21 -0.13 -0.54 0.00 0.00 0.00 174.94 174.50 2cca s LYS 537 N 1.07 0.79 0.01 2.79 -0.14 -1.02 -4.88 119.74 118.36 2cca s LYS 537 Ca 0.37 -0.91 0.07 0.00 -1.36 0.00 0.00 55.97 54.15 2cca s LYS 537 Cb -0.18 -0.77 -0.03 0.00 -1.68 0.00 0.00 37.83 35.18 2cca s LYS 537 CO 0.17 0.17 -0.20 0.54 -0.76 0.00 0.00 175.35 175.27 2cca s VAL 538 N -1.24 2.62 0.32 3.17 0.11 -1.26 -4.44 120.40 119.68 2cca s VAL 538 Ca -0.03 -1.11 -0.11 0.00 -2.93 0.00 0.00 61.98 57.80 2cca s VAL 538 Cb -0.10 -2.05 -0.07 0.00 -1.53 0.00 0.00 36.38 32.63 2cca s VAL 538 CO 0.02 0.43 0.68 -0.94 -3.33 0.00 0.00 175.10 171.97 2cca s SER 539 N -1.12 6.63 0.29 3.54 1.04 -1.26 -4.94 113.70 117.87 2cca s SER 539 Ca 0.13 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2cca s SER 539 Cb -0.10 -2.30 0.52 0.00 0.10 0.00 0.00 66.02 64.24 2cca s SER 539 CO 0.03 -0.23 1.89 0.15 0.98 0.00 0.00 173.24 176.06 2cca h PHE 540 N 1.98 1.08 -0.51 5.02 3.57 -1.93 -2.65 116.94 123.51 2cca h PHE 540 Ca -0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.10 2cca h PHE 540 Cb 1.18 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 2cca h PHE 540 CO 0.61 0.54 0.26 0.00 -2.23 0.00 0.00 178.31 177.49 2cca h ALA 541 N 1.50 0.65 -0.18 2.41 0.00 -1.87 -1.34 119.26 120.44 2cca h ALA 541 Ca 0.41 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 2cca h ALA 541 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2cca h ALA 541 CO -0.17 -0.09 -0.24 -0.44 0.00 0.00 0.00 179.25 178.32 2cca h ASP 542 N 0.51 0.32 -0.03 0.00 3.32 -1.73 -3.19 116.42 115.62 2cca h ASP 542 Ca 0.22 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 2cca h ASP 542 Cb 0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2cca h ASP 542 CO -0.16 0.57 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.36 2cca h LEU 543 N 0.29 0.65 -0.28 1.55 4.07 -0.96 0.29 115.31 120.92 2cca h LEU 543 Ca 0.05 -0.32 0.04 0.00 0.08 0.00 0.00 57.88 57.72 2cca h LEU 543 Cb 0.59 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 2cca h LEU 543 CO 0.04 1.03 0.03 0.58 -1.08 0.00 0.00 178.44 179.04 2cca h VAL 544 N 0.47 0.83 -0.15 1.22 2.07 -1.27 0.10 116.25 119.52 2cca h VAL 544 Ca 0.02 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2cca h VAL 544 Cb 1.03 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2cca h VAL 544 CO 0.10 0.02 -0.05 0.58 0.02 0.00 0.00 177.57 178.24 2cca h VAL 545 N 0.12 1.30 -0.37 2.57 2.07 -1.55 -3.04 116.25 117.35 2cca h VAL 545 Ca 0.13 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2cca h VAL 545 Cb 0.15 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2cca h VAL 545 CO -0.20 0.31 0.19 0.25 0.02 0.00 0.00 177.57 178.14 2cca h LEU 546 N -0.02 0.44 -0.46 2.57 5.85 -0.78 -1.51 115.31 121.40 2cca h LEU 546 Ca 0.04 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2cca h LEU 546 Cb 0.50 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2cca h LEU 546 CO 0.02 0.37 0.30 1.23 -0.34 0.00 0.00 178.44 180.01 2cca h GLY 547 N 0.59 0.65 0.88 3.75 0.00 -0.75 0.11 103.07 108.31 2cca h GLY 547 Ca 0.13 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.25 2cca h GLY 547 CO -0.02 0.22 0.22 -1.33 0.00 0.00 0.00 176.54 175.63 2cca h GLY 548 N 0.61 0.54 0.99 4.60 0.00 -1.19 -1.53 103.07 107.08 2cca h GLY 548 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2cca h GLY 548 CO -0.05 0.14 0.20 0.00 0.00 0.00 0.00 176.54 176.83 2cca h ALA 550 N 1.05 1.22 -0.22 0.00 0.00 -0.61 -2.30 119.26 118.41 2cca h ALA 550 Ca 0.18 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2cca h ALA 550 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2cca h ALA 550 CO -0.01 0.59 -0.52 0.00 0.00 0.00 0.00 179.25 179.31 2cca h ALA 551 N 1.33 0.68 -0.28 0.00 0.00 -1.09 -2.37 119.26 117.52 2cca h ALA 551 Ca 0.25 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2cca h ALA 551 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2cca h ALA 551 CO -0.03 0.68 -0.29 0.82 0.00 0.00 0.00 179.25 180.43 2cca h ILE 552 N 0.49 1.28 -0.47 0.00 2.04 -1.19 -0.38 117.51 119.28 2cca h ILE 552 Ca 0.02 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 2cca h ILE 552 Cb 1.07 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2cca h ILE 552 CO 0.10 0.44 0.25 -0.33 0.00 0.00 0.00 178.15 178.62 2cca h GLU 553 N 0.50 0.66 -0.21 2.37 5.08 -1.31 0.05 114.58 121.72 2cca h GLU 553 Ca 0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2cca h GLU 553 Cb 0.76 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2cca h GLU 553 CO 0.06 0.53 0.11 -0.22 -1.00 0.00 0.00 179.01 178.49 2cca h LYS 554 N 0.62 0.30 -0.25 2.33 3.11 -1.14 -1.93 116.57 119.61 2cca h LYS 554 Ca 0.17 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 2cca h LYS 554 Cb 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2cca h LYS 554 CO -0.03 0.29 -0.21 0.00 -2.81 0.00 0.00 179.45 176.69 2cca h ALA 555 N 0.99 1.17 -0.45 5.00 0.00 -0.97 -1.58 119.26 123.43 2cca h ALA 555 Ca 0.07 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2cca h ALA 555 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2cca h ALA 555 CO -0.01 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 2cca h ALA 556 N 1.36 0.61 -0.70 0.00 0.00 -0.86 -0.38 119.26 119.28 2cca h ALA 556 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2cca h ALA 556 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2cca h ALA 556 CO 0.04 0.44 0.25 -0.22 0.00 0.00 0.00 179.25 179.77 2cca h LYS 557 N 0.67 1.07 -0.18 0.00 3.64 -0.56 0.80 116.57 122.00 2cca h LYS 557 Ca 0.12 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2cca h LYS 557 Cb 0.55 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2cca h LYS 557 CO 0.03 0.90 0.18 0.00 -2.27 0.00 0.00 179.45 178.29 2cca h ALA 558 N 1.12 1.86 -0.66 5.00 0.00 -1.20 0.10 119.26 125.49 2cca h ALA 558 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cca h ALA 558 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2cca h ALA 558 CO -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.96 2cca n ALA 559 N -2.38 2.53 -2.58 0.00 0.00 -0.80 -4.95 120.51 112.34 2cca n ALA 559 Ca 0.02 -1.24 -0.04 0.00 0.00 0.00 0.00 53.44 52.18 2cca n ALA 559 Cb 0.31 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.80 2cca n ALA 559 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cca n GLY 560 N 1.47 0.62 2.88 0.00 0.00 0.36 -5.01 105.19 105.51 2cca n GLY 560 Ca 0.23 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 2cca n GLY 560 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cca s HIS 561 N -2.91 1.18 -0.61 1.61 3.76 0.21 -4.98 115.29 113.56 2cca s HIS 561 Ca 0.08 -0.51 -0.19 0.00 -0.15 0.00 0.00 55.06 54.30 2cca s HIS 561 Cb -0.04 -1.04 0.11 0.00 1.11 0.00 0.00 32.58 32.72 2cca s HIS 561 CO 0.10 -0.40 0.71 -0.80 -0.85 0.00 0.00 174.74 173.50 2cca s ASN 562 N 1.58 6.21 0.09 1.40 0.02 -1.26 -1.82 114.94 121.16 2cca s ASN 562 Ca 0.01 -1.50 0.05 0.00 -1.02 0.00 0.00 52.86 50.40 2cca s ASN 562 Cb -0.13 -2.30 -0.03 0.00 0.02 0.00 0.00 41.25 38.81 2cca s ASN 562 CO -0.05 -1.09 -0.13 -0.51 0.02 0.00 0.00 177.10 175.34 2cca s ILE 563 N 2.57 1.12 -0.19 0.60 2.07 -1.26 -5.09 121.20 121.01 2cca s ILE 563 Ca 0.12 -1.48 -0.04 0.00 -1.41 0.00 0.00 60.65 57.84 2cca s ILE 563 Cb -0.24 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 2cca s ILE 563 CO 0.05 -0.35 -0.04 0.42 -1.91 0.00 0.00 174.94 173.11 2cca s THR 564 N -1.75 3.60 -0.11 4.00 -4.23 -1.26 -4.80 115.64 111.09 2cca s THR 564 Ca 0.02 -0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 2cca s THR 564 Cb -0.07 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2cca s THR 564 CO 0.02 0.45 0.99 -0.69 -0.54 0.00 0.00 174.62 174.85 2cca s VAL 565 N 1.02 4.79 0.66 2.29 1.01 -1.26 -5.02 120.40 123.89 2cca s VAL 565 Ca 0.01 2.01 -0.18 0.00 0.00 0.00 0.00 61.98 63.82 2cca s VAL 565 Cb -0.15 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 2cca s VAL 565 CO 0.01 0.01 1.29 -2.84 0.00 0.00 0.00 175.10 173.56 2cca s PRO 566 N 2.02 2.45 -0.13 2.72 0.02 -1.26 -4.98 135.00 135.84 2cca s PRO 566 Ca 0.47 2.03 -0.08 0.00 0.02 0.00 0.00 61.00 63.44 2cca s PRO 566 Cb -0.18 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.55 2cca s PRO 566 CO 0.17 -1.66 0.33 0.12 -0.33 0.00 0.00 177.00 175.63 2cca s PHE 567 N -1.47 -0.44 -0.28 6.54 5.36 -1.26 -4.93 117.98 121.50 2cca s PHE 567 Ca 0.82 1.00 -0.02 0.00 -0.96 0.00 0.00 56.93 57.77 2cca s PHE 567 Cb -0.37 0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.50 2cca s PHE 567 CO 0.41 -0.26 -0.03 0.99 -1.46 0.00 0.00 175.22 174.87 2cca s THR 568 N 1.02 2.92 0.96 0.12 2.01 -1.26 -5.12 115.64 116.29 2cca s THR 568 Ca -0.07 -1.25 -0.14 0.00 0.31 0.00 0.00 61.69 60.55 2cca s THR 568 Cb -0.07 -2.61 0.17 0.00 0.01 0.00 0.00 72.50 70.00 2cca s THR 568 CO -0.08 0.02 1.16 -2.16 -0.69 0.00 0.00 174.62 172.87 2cca s PRO 569 N 1.28 0.73 0.00 4.92 0.04 -1.26 -4.71 135.00 135.99 2cca s PRO 569 Ca -0.03 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2cca s PRO 569 Cb -0.19 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2cca s PRO 569 CO -0.02 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 174.98 2cca n GLY 570 N -2.28 1.11 3.76 0.56 0.00 -1.26 -5.07 105.19 102.01 2cca n GLY 570 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2cca n GLY 570 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cca s ARG 571 N 0.00 3.76 0.40 1.61 0.52 -1.26 -4.87 118.95 119.11 2cca s ARG 571 Ca 0.00 2.17 0.07 0.00 -0.52 0.00 0.00 55.73 57.45 2cca s ARG 571 Cb 0.00 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.78 2cca s ARG 571 CO 0.00 -0.66 0.02 0.95 0.02 0.00 0.00 175.30 175.62 2cca s THR 572 N -1.29 2.10 -0.35 0.02 -4.23 -1.26 -4.48 115.64 106.14 2cca s THR 572 Ca 0.61 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 2cca s THR 572 Cb -0.38 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.52 2cca s THR 572 CO 0.48 -0.03 0.20 -1.81 -0.54 0.00 0.00 174.62 172.91 2cca s ASP 573 N -3.72 5.72 0.53 3.99 1.01 -1.26 -1.23 116.67 121.71 2cca s ASP 573 Ca 0.35 -0.77 -0.20 0.00 0.71 0.00 0.00 52.55 52.65 2cca s ASP 573 Cb 0.08 -2.03 -0.06 0.00 1.01 0.00 0.00 42.92 41.91 2cca s ASP 573 CO 0.18 -0.31 1.11 0.00 0.21 0.00 0.00 175.17 176.36 2cca s ALA 574 N 1.60 2.73 0.55 5.23 0.00 0.88 -4.53 121.76 128.22 2cca s ALA 574 Ca 0.03 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 2cca s ALA 574 Cb -0.18 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2cca s ALA 574 CO 0.07 -0.67 0.83 -1.54 0.00 0.00 0.00 175.76 174.45 2cca s SER 575 N -1.83 5.67 0.39 0.00 1.04 -1.26 -4.92 113.70 112.79 2cca s SER 575 Ca 0.71 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.81 2cca s SER 575 Cb -0.22 -1.66 0.81 0.00 0.10 0.00 0.00 66.02 65.05 2cca s SER 575 CO 0.26 -0.95 2.00 -0.61 0.98 0.00 0.00 173.24 174.91 2cca h GLN 576 N -0.01 0.63 0.00 4.02 5.75 -1.97 -1.95 115.11 121.59 2cca h GLN 576 Ca -0.46 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 2cca h GLN 576 Cb 1.25 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 2cca h GLN 576 CO 0.60 0.42 -0.13 0.93 -2.65 0.00 0.00 178.83 178.00 2cca h GLU 577 N 0.65 0.00 -0.11 1.69 3.07 -2.00 -1.19 114.58 116.69 2cca h GLU 577 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2cca h GLU 577 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2cca h GLU 577 CO -0.07 0.13 0.00 1.04 -1.40 0.00 0.00 179.01 178.71 2cca n GLN 578 N -3.78 1.65 -3.85 2.33 6.02 -0.74 -4.75 117.38 114.26 2cca n GLN 578 Ca -0.02 -0.97 -0.30 0.00 -0.01 0.00 0.00 57.00 55.70 2cca n GLN 578 Cb 0.23 -1.42 -0.14 0.00 1.02 0.00 0.00 30.24 29.93 2cca n GLN 578 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2cca s THR 579 N -1.87 1.73 -0.42 5.09 2.01 -0.45 -4.16 115.64 117.58 2cca s THR 579 Ca 0.34 -2.36 -0.28 0.00 0.31 0.00 0.00 61.69 59.71 2cca s THR 579 Cb 0.18 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2cca s THR 579 CO 0.29 -0.74 1.87 -0.62 -0.69 0.00 0.00 174.62 174.72 2cca s ASP 580 N 0.69 5.60 0.20 3.53 -1.08 -1.26 -4.88 116.67 119.47 2cca s ASP 580 Ca 0.14 1.03 -0.10 0.00 -0.52 0.00 0.00 52.55 53.09 2cca s ASP 580 Cb -0.22 -2.52 0.12 0.00 -1.46 0.00 0.00 42.92 38.84 2cca s ASP 580 CO -0.08 -1.99 1.79 0.58 0.52 0.00 0.00 175.17 175.99 2cca h VAL 581 N 6.90 1.23 -0.54 1.11 2.07 -1.90 -0.59 116.25 124.52 2cca h VAL 581 Ca -0.31 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 2cca h VAL 581 Cb 1.18 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2cca h VAL 581 CO 1.09 0.26 -0.06 -0.08 0.02 0.00 0.00 177.57 178.81 2cca h GLU 582 N 0.98 1.00 -0.57 1.57 4.57 -1.97 -2.55 114.58 117.61 2cca h GLU 582 Ca 0.24 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 2cca h GLU 582 Cb 0.10 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2cca h GLU 582 CO -0.03 1.03 0.21 1.03 -1.18 0.00 0.00 179.01 180.06 2cca h SER 583 N 0.88 0.81 0.66 1.04 0.87 -1.89 -2.79 113.55 113.13 2cca h SER 583 Ca 0.15 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2cca h SER 583 Cb 0.61 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2cca h SER 583 CO 0.04 0.78 0.00 -0.26 -0.53 0.00 0.00 176.83 176.86 2cca h PHE 584 N 0.80 0.00 -0.66 2.24 -1.00 -0.98 -3.23 116.94 114.11 2cca h PHE 584 Ca 0.19 0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.01 2cca h PHE 584 Cb 0.24 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 2cca h PHE 584 CO 0.01 0.00 0.44 0.00 -1.61 0.00 0.00 178.31 177.15 2cca h ALA 585 N 2.21 1.64 0.00 2.45 0.00 -1.17 -1.91 119.26 122.48 2cca h ALA 585 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cca h ALA 585 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2cca h ALA 585 CO 0.00 0.28 0.00 -0.39 0.00 0.00 0.00 179.25 179.14 2cca h VAL 586 N 0.78 0.00 -0.00 0.00 -1.51 -1.74 -2.73 116.25 111.05 2cca h VAL 586 Ca 0.27 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2cca h VAL 586 Cb 0.09 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2cca h VAL 586 CO -0.08 0.00 -0.02 0.18 -1.23 0.00 0.00 177.57 176.42 2cca n LEU 587 N -3.01 0.04 -4.68 4.19 4.77 -0.72 -4.85 117.00 112.74 2cca n LEU 587 Ca -0.00 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 2cca n LEU 587 Cb 0.25 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2cca n LEU 587 CO 0.25 0.01 1.22 -0.70 -1.33 0.00 0.00 177.39 176.84 2cca s GLU 588 N -2.76 4.24 0.14 3.23 2.12 -1.03 -4.94 118.70 119.69 2cca s GLU 588 Ca 0.22 2.09 -0.31 0.00 0.36 0.00 0.00 54.97 57.33 2cca s GLU 588 Cb 0.20 -3.67 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 2cca s GLU 588 CO 0.50 -0.68 1.45 -2.14 -0.54 0.00 0.00 175.26 173.85 2cca s PRO 589 N 2.85 4.28 0.00 4.30 0.02 -1.26 -4.88 135.00 140.32 2cca s PRO 589 Ca 0.68 2.18 0.25 0.00 0.02 0.00 0.00 61.00 64.13 2cca s PRO 589 Cb -0.33 -3.21 0.55 0.00 0.02 0.00 0.00 34.50 31.53 2cca s PRO 589 CO 0.28 -0.49 1.44 1.63 -0.33 0.00 0.00 177.00 179.53 2cca n LYS 590 N 3.85 0.40 -3.67 5.54 4.76 -1.26 -4.78 118.16 123.01 2cca n LYS 590 Ca 0.12 -0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.19 2cca n LYS 590 Cb 0.41 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 32.02 2cca n LYS 590 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cca s ALA 591 N -2.77 -1.51 -0.34 7.82 0.00 -1.26 -0.11 121.76 123.59 2cca s ALA 591 Ca 0.17 1.84 0.01 0.00 0.00 0.00 0.00 51.96 53.97 2cca s ALA 591 Cb 0.18 -1.08 0.14 0.00 0.00 0.00 0.00 23.12 22.37 2cca s ALA 591 CO 0.63 -0.30 0.31 0.34 0.00 0.00 0.00 175.76 176.73 2cca s ASP 592 N 0.77 1.77 0.62 0.00 -1.08 -0.13 -4.95 116.67 113.67 2cca s ASP 592 Ca -0.04 -1.43 0.37 0.00 -0.52 0.00 0.00 52.55 50.93 2cca s ASP 592 Cb -0.05 0.33 2.09 0.00 -1.46 0.00 0.00 42.92 43.82 2cca s ASP 592 CO -0.06 -0.32 2.30 1.23 0.52 0.00 0.00 175.17 178.85 2cca h GLY 593 N 7.49 0.00 2.00 2.66 0.00 -1.89 -0.83 103.07 112.51 2cca h GLY 593 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2cca h GLY 593 CO 0.27 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.55 2cca h PHE 594 N 0.00 0.00 -0.12 5.60 -1.00 -1.95 -2.22 116.94 117.25 2cca h PHE 594 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2cca h PHE 594 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 2cca h PHE 594 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.24 2cca n ARG 595 N -2.96 2.68 -3.65 1.51 1.74 -0.49 -4.72 116.66 110.78 2cca n ARG 595 Ca 0.01 -1.63 -0.27 0.00 -0.77 0.00 0.00 57.85 55.19 2cca n ARG 595 Cb 0.30 -1.10 0.03 0.00 -1.02 0.00 0.00 32.46 30.66 2cca n ARG 595 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2cca n ASN 596 N -0.09 -5.00 -4.67 0.55 2.85 -0.64 -0.12 115.26 108.15 2cca n ASN 596 Ca 0.04 -0.61 -0.35 0.00 -0.11 0.00 0.00 54.58 53.55 2cca n ASN 596 Cb 0.30 -4.01 -0.09 0.00 1.24 0.00 0.00 39.78 37.22 2cca n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2cca s TYR 597 N -3.21 3.31 -0.23 1.20 5.04 -0.44 -4.76 117.35 118.26 2cca s TYR 597 Ca 0.56 0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 55.33 2cca s TYR 597 Cb -0.28 -2.13 0.07 0.00 0.35 0.00 0.00 41.96 39.98 2cca s TYR 597 CO 0.69 0.19 0.06 -1.17 -1.34 0.00 0.00 175.55 173.98 2cca s LEU 598 N 0.44 1.24 0.00 6.97 2.96 -1.26 -0.95 118.68 128.08 2cca s LEU 598 Ca 0.05 -1.03 -0.09 0.00 -0.22 0.00 0.00 54.13 52.85 2cca s LEU 598 Cb -0.12 -0.59 0.17 0.00 0.50 0.00 0.00 46.19 46.15 2cca s LEU 598 CO -0.00 -0.35 1.04 0.61 -1.32 0.00 0.00 176.35 176.33 2cca n GLY 599 N 5.05 -0.60 3.86 7.98 0.00 0.85 -5.01 105.19 117.32 2cca n GLY 599 Ca -0.07 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2cca n GLY 599 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cca s LYS 600 N -5.21 3.87 0.00 1.61 1.02 -1.26 -4.50 119.74 115.26 2cca s LYS 600 Ca 0.62 0.73 0.00 0.00 0.02 0.00 0.00 55.97 57.34 2cca s LYS 600 Cb -0.02 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2cca s LYS 600 CO 0.43 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 2cca n GLY 601 N -1.44 0.72 3.76 -3.33 0.00 -1.26 -4.99 105.19 98.65 2cca n GLY 601 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2cca n GLY 601 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cca s ASN 602 N -2.57 7.25 0.55 1.61 -0.87 -1.26 -4.95 114.94 114.69 2cca s ASN 602 Ca 0.00 2.24 0.33 0.00 -1.57 0.00 0.00 52.86 53.86 2cca s ASN 602 Cb 0.00 -2.62 1.33 0.00 -0.02 0.00 0.00 41.25 39.94 2cca s ASN 602 CO 0.00 -0.15 1.97 1.55 -2.57 0.00 0.00 177.10 177.90 2cca h PRO 603 N 3.73 0.00 -4.25 -0.60 0.13 -1.97 -3.46 132.00 125.58 2cca h PRO 603 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2cca h PRO 603 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2cca h PRO 603 CO 0.67 0.00 -0.64 -0.51 -0.23 0.00 0.00 178.00 177.28 2cca s LEU 604 N -6.18 2.22 0.84 1.56 1.43 -1.26 -5.15 118.68 112.14 2cca s LEU 604 Ca 0.01 -1.02 -0.14 0.00 -1.03 0.00 0.00 54.13 51.95 2cca s LEU 604 Cb 0.09 0.30 0.02 0.00 0.03 0.00 0.00 46.19 46.62 2cca s LEU 604 CO 0.55 -0.64 0.61 -2.65 0.23 0.00 0.00 176.35 174.44 2cca n PRO 605 N 0.04 0.01 -0.34 1.29 -0.02 -1.26 -4.67 135.00 130.05 2cca n PRO 605 Ca -0.12 0.06 0.17 0.00 -2.02 0.00 0.00 63.50 61.59 2cca n PRO 605 Cb 0.62 -1.96 0.38 0.00 -0.02 0.00 0.00 33.50 32.52 2cca n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cca h ALA 606 N -1.01 1.82 -0.07 3.55 0.00 -1.99 -1.60 119.26 119.97 2cca h ALA 606 Ca -0.45 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2cca h ALA 606 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2cca h ALA 606 CO 0.40 -0.25 -0.31 1.05 0.00 0.00 0.00 179.25 180.13 2cca h GLU 607 N 0.61 0.12 -0.25 0.00 9.09 -1.90 -0.76 114.58 121.50 2cca h GLU 607 Ca 0.62 -0.04 -0.17 0.00 0.05 0.00 0.00 59.36 59.81 2cca h GLU 607 Cb 1.17 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.25 2cca h GLU 607 CO -0.42 0.43 -0.53 1.88 0.05 0.00 0.00 179.01 180.42 2cca h TYR 608 N 0.11 0.92 0.00 2.06 -1.99 -1.62 -3.02 116.97 113.42 2cca h TYR 608 Ca 0.01 -0.32 -0.11 0.00 2.00 0.00 0.00 58.73 60.31 2cca h TYR 608 Cb 0.62 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 2cca h TYR 608 CO 0.01 1.10 -0.53 0.52 -0.00 0.00 0.00 178.16 179.26 2cca h MET 609 N 0.57 0.00 -0.04 4.88 2.86 -1.28 -2.04 114.93 119.88 2cca h MET 609 Ca 0.02 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2cca h MET 609 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2cca h MET 609 CO 0.11 0.53 -0.01 1.25 1.06 0.00 0.00 176.91 179.85 2cca h LEU 610 N 0.00 -0.03 -0.92 1.22 5.85 -1.11 -1.00 115.31 119.32 2cca h LEU 610 Ca -0.01 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2cca h LEU 610 Cb 0.95 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 2cca h LEU 610 CO 0.07 -0.01 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.05 2cca h LEU 611 N 0.01 0.72 -0.29 2.25 4.07 -1.38 -0.56 115.31 120.13 2cca h LEU 611 Ca 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 2cca h LEU 611 Cb 0.03 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 2cca h LEU 611 CO -0.04 0.81 0.16 -0.78 -1.08 0.00 0.00 178.44 177.51 2cca h ASP 612 N 0.69 0.36 -0.66 -0.43 3.58 -1.32 0.14 116.42 118.79 2cca h ASP 612 Ca 0.13 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2cca h ASP 612 Cb 0.48 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2cca h ASP 612 CO 0.02 0.34 0.43 0.50 -2.88 0.00 0.00 179.24 177.65 2cca h LYS 613 N 0.35 0.83 -0.68 0.28 1.63 -0.90 -1.26 116.57 116.82 2cca h LYS 613 Ca 0.10 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 2cca h LYS 613 Cb 0.06 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 2cca h LYS 613 CO -0.02 0.55 0.12 0.00 -3.45 0.00 0.00 179.45 176.65 2cca h ALA 614 N 1.26 0.93 -0.27 5.00 0.00 -0.82 -0.77 119.26 124.59 2cca h ALA 614 Ca 0.25 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2cca h ALA 614 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2cca h ALA 614 CO -0.07 0.67 0.10 -0.97 0.00 0.00 0.00 179.25 178.97 2cca h ASN 615 N 1.05 0.12 0.27 0.00 -1.24 -0.45 0.75 115.58 116.08 2cca h ASN 615 Ca 0.21 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 2cca h ASN 615 Cb 0.43 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2cca h ASN 615 CO 0.01 0.10 -0.26 -0.07 -1.29 0.00 0.00 177.43 175.92 2cca h LEU 616 N 0.22 0.00 -0.33 0.34 3.38 -0.87 -0.77 115.31 117.29 2cca h LEU 616 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2cca h LEU 616 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2cca h LEU 616 CO -0.11 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.86 2cca n LEU 617 N -4.20 0.50 -1.83 1.67 4.77 -0.33 0.42 117.00 118.00 2cca n LEU 617 Ca -0.02 -0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 55.61 2cca n LEU 617 Cb 0.31 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2cca n LEU 617 CO 0.37 0.09 -0.21 0.35 -1.33 0.00 0.00 177.39 176.66 2cca n THR 618 N -0.57 -0.68 -3.24 -5.08 -2.24 -0.30 -4.94 114.28 97.23 2cca n THR 618 Ca 0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 2cca n THR 618 Cb 0.18 -2.38 -0.06 0.00 -2.10 0.00 0.00 70.33 65.97 2cca n THR 618 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cca s LEU 619 N -4.70 4.43 0.80 3.22 1.43 0.18 -5.01 118.68 119.03 2cca s LEU 619 Ca 0.00 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 2cca s LEU 619 Cb 0.00 -3.19 0.07 0.00 0.03 0.00 0.00 46.19 43.10 2cca s LEU 619 CO 0.00 0.16 1.13 -0.94 0.23 0.00 0.00 176.35 176.94 2cca s SER 620 N -1.42 4.60 0.14 2.29 1.04 -1.26 -4.56 113.70 114.53 2cca s SER 620 Ca 0.35 1.00 -0.17 0.00 0.48 0.00 0.00 55.95 57.61 2cca s SER 620 Cb -0.18 -1.64 0.01 0.00 0.10 0.00 0.00 66.02 64.32 2cca s SER 620 CO 0.20 -1.87 1.77 0.00 0.98 0.00 0.00 173.24 174.32 2cca h ALA 621 N -1.03 0.38 -0.88 5.32 0.00 -1.91 0.12 119.26 121.26 2cca h ALA 621 Ca -0.47 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.49 2cca h ALA 621 Cb 1.30 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2cca h ALA 621 CO 0.64 -0.23 0.57 -1.35 0.00 0.00 0.00 179.25 178.87 2cca h PRO 622 N 0.32 1.06 -0.25 0.00 0.11 -1.96 -0.10 132.00 131.18 2cca h PRO 622 Ca 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2cca h PRO 622 Cb 0.05 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 2cca h PRO 622 CO -0.09 0.70 0.10 0.93 -0.21 0.00 0.00 178.00 179.43 2cca h GLU 623 N 1.09 0.37 -0.53 1.05 5.08 -1.85 -1.13 114.58 118.67 2cca h GLU 623 Ca 0.35 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 2cca h GLU 623 Cb 0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2cca h GLU 623 CO -0.12 0.40 0.26 1.98 -1.00 0.00 0.00 179.01 180.53 2cca h MET 624 N 0.25 0.48 0.07 2.33 4.05 -0.60 -2.19 114.93 119.33 2cca h MET 624 Ca 0.08 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2cca h MET 624 Cb 0.17 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2cca h MET 624 CO -0.01 0.32 -0.03 1.15 0.23 0.00 0.00 176.91 178.57 2cca h THR 625 N 0.50 0.99 -0.90 -0.77 2.02 -0.78 -1.78 112.91 112.20 2cca h THR 625 Ca 0.24 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2cca h THR 625 Cb 0.16 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2cca h THR 625 CO -0.17 0.05 0.48 -0.37 0.37 0.00 0.00 175.52 175.88 2cca h VAL 626 N -0.18 1.26 -0.43 3.16 -1.51 -1.16 -2.55 116.25 114.84 2cca h VAL 626 Ca -0.01 -0.66 -0.02 0.00 -1.23 0.00 0.00 66.70 64.78 2cca h VAL 626 Cb 0.15 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.34 2cca h VAL 626 CO 0.02 0.30 0.18 -0.07 -1.23 0.00 0.00 177.57 176.76 2cca h LEU 627 N 1.26 0.59 0.42 4.19 3.38 -1.27 -0.44 115.31 123.44 2cca h LEU 627 Ca 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2cca h LEU 627 Cb 0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2cca h LEU 627 CO -0.05 0.59 -0.23 0.58 0.09 0.00 0.00 178.44 179.42 2cca h VAL 628 N 0.56 0.52 -0.65 1.22 2.07 -1.21 0.55 116.25 119.30 2cca h VAL 628 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 2cca h VAL 628 Cb 0.18 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 2cca h VAL 628 CO -0.01 0.00 0.31 1.23 0.02 0.00 0.00 177.57 179.12 2cca h GLY 629 N -0.61 0.96 0.66 2.17 0.00 -1.40 -1.87 103.07 102.98 2cca h GLY 629 Ca -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2cca h GLY 629 CO 0.07 0.05 -0.03 -1.33 0.00 0.00 0.00 176.54 175.30 2cca h GLY 630 N 0.54 0.14 1.46 4.60 0.00 -0.96 -3.16 103.07 105.69 2cca h GLY 630 Ca 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2cca h GLY 630 CO -0.26 0.11 0.12 1.41 0.00 0.00 0.00 176.54 177.92 2cca h LEU 631 N -0.24 0.64 0.19 3.11 3.38 -0.71 -1.33 115.31 120.34 2cca h LEU 631 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2cca h LEU 631 Cb 0.46 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2cca h LEU 631 CO 0.01 0.63 -0.17 0.03 0.09 0.00 0.00 178.44 179.03 2cca h ARG 632 N 0.67 -0.36 0.00 1.13 2.47 -1.39 -0.93 114.38 115.97 2cca h ARG 632 Ca 0.15 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 2cca h ARG 632 Cb 0.25 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2cca h ARG 632 CO -0.00 -0.24 -0.09 -0.39 0.56 0.00 0.00 179.97 179.80 2cca h VAL 633 N -0.38 0.19 0.00 2.04 -1.51 -1.47 -2.51 116.25 112.61 2cca h VAL 633 Ca -0.00 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 2cca h VAL 633 Cb 0.35 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2cca h VAL 633 CO -0.03 0.09 0.00 0.18 -1.23 0.00 0.00 177.57 176.58 2cca n LEU 634 N -3.16 0.02 0.00 4.19 4.77 -0.52 -2.30 117.00 119.99 2cca n LEU 634 Ca 0.02 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2cca n LEU 634 Cb 0.45 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2cca n LEU 634 CO 0.32 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2cca n GLY 635 N 1.25 0.55 0.00 -0.72 0.00 -0.95 -3.66 105.19 101.66 2cca n GLY 635 Ca 0.06 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.37 2cca n GLY 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca n ALA 636 N -0.14 2.34 -1.62 4.61 0.00 -0.39 -4.75 120.51 120.57 2cca n ALA 636 Ca 0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 2cca n ALA 636 Cb 0.18 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 2cca n ALA 636 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2cca n ASN 637 N -1.34 1.71 -4.63 0.00 4.13 -1.26 -4.75 115.26 109.12 2cca n ASN 637 Ca 0.11 1.18 -0.52 0.00 1.68 0.00 0.00 54.58 57.03 2cca n ASN 637 Cb 0.24 -1.35 -0.06 0.00 -1.54 0.00 0.00 39.78 37.08 2cca n ASN 637 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cca n TYR 638 N 0.21 1.74 -2.14 3.10 9.36 0.83 -1.47 117.16 128.79 2cca n TYR 638 Ca 0.08 0.55 -0.15 0.00 3.32 0.00 0.00 57.90 61.70 2cca n TYR 638 Cb 0.34 -2.39 -0.02 0.00 -0.63 0.00 0.00 39.34 36.63 2cca n TYR 638 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2cca n LYS 639 N 3.34 -1.82 -4.21 2.98 5.02 -1.26 -2.45 118.16 119.75 2cca n LYS 639 Ca 0.20 0.80 -0.36 0.00 -2.02 0.00 0.00 58.31 56.92 2cca n LYS 639 Cb 0.19 -5.32 -0.05 0.00 -0.02 0.00 0.00 35.03 29.83 2cca n LYS 639 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cca n ARG 640 N -2.63 -1.78 -1.89 1.97 1.74 -0.54 -4.91 116.66 108.62 2cca n ARG 640 Ca -0.17 0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.74 2cca n ARG 640 Cb 0.60 -4.85 0.03 0.00 -1.02 0.00 0.00 32.46 27.22 2cca n ARG 640 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cca s LEU 641 N -7.02 3.94 0.00 0.55 1.43 -1.03 -4.93 118.68 111.62 2cca s LEU 641 Ca 0.72 2.69 0.30 0.00 -1.03 0.00 0.00 54.13 56.81 2cca s LEU 641 Cb -0.41 -4.20 1.61 0.00 0.03 0.00 0.00 46.19 43.22 2cca s LEU 641 CO 0.88 -1.36 2.06 -0.81 0.23 0.00 0.00 176.35 177.36 2cca n PRO 642 N -0.75 0.63 -1.68 1.29 -0.04 -1.26 -4.80 135.00 128.39 2cca n PRO 642 Ca 0.09 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2cca n PRO 642 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2cca n PRO 642 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cca s LEU 643 N -2.34 4.30 0.00 1.53 1.43 -1.26 -1.68 118.68 120.66 2cca s LEU 643 Ca 0.35 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.00 2cca s LEU 643 Cb 0.20 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2cca s LEU 643 CO 0.40 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.43 2cca n GLY 644 N 4.68 0.95 2.84 -3.19 0.00 -0.28 -4.85 105.19 105.33 2cca n GLY 644 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2cca n GLY 644 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2cca n VAL 645 N -2.09 4.01 -1.93 1.61 0.31 -0.68 -4.76 118.33 114.80 2cca n VAL 645 Ca 0.00 -3.89 -0.41 0.00 -0.01 0.00 0.00 64.34 60.03 2cca n VAL 645 Cb 0.00 -2.45 -0.00 0.00 -0.91 0.00 0.00 33.84 30.47 2cca n VAL 645 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2cca n PHE 646 N 4.81 2.98 -3.80 3.52 3.72 -1.26 -4.86 117.46 122.57 2cca n PHE 646 Ca 0.44 -2.90 -0.12 0.00 -0.05 0.00 0.00 57.45 54.83 2cca n PHE 646 Cb 0.38 -2.21 -0.08 0.00 -0.94 0.00 0.00 39.48 36.63 2cca n PHE 646 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2cca s THR 647 N 1.28 0.09 -0.32 4.37 -1.32 -1.26 -3.56 115.64 114.92 2cca s THR 647 Ca 0.49 -0.71 0.23 0.00 -1.21 0.00 0.00 61.69 60.49 2cca s THR 647 Cb 0.14 -0.82 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 2cca s THR 647 CO -0.05 -0.39 0.99 -0.62 -2.21 0.00 0.00 174.62 172.34 2cca n GLU 648 N 0.84 0.52 -3.88 7.08 -0.58 -1.26 -4.70 120.64 118.66 2cca n GLU 648 Ca -0.20 0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.29 2cca n GLU 648 Cb 0.58 -1.73 -0.12 0.00 -0.57 0.00 0.00 31.44 29.60 2cca n GLU 648 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cca s ALA 649 N -3.33 3.64 0.58 0.62 0.00 -1.26 -5.09 121.76 116.92 2cca s ALA 649 Ca -0.00 -3.56 -0.18 0.00 0.00 0.00 0.00 51.96 48.22 2cca s ALA 649 Cb 0.11 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 2cca s ALA 649 CO 0.80 -2.07 1.11 -1.12 0.00 0.00 0.00 175.76 174.47 2cca s SER 650 N -0.66 5.60 -0.25 0.00 0.01 -1.26 -3.29 113.70 113.85 2cca s SER 650 Ca 0.21 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2cca s SER 650 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2cca s SER 650 CO -0.08 -1.30 0.00 1.21 0.41 0.00 0.00 173.24 173.48 2cca n GLU 651 N -1.71 -0.41 -4.81 12.44 2.13 -0.97 -5.02 120.64 122.30 2cca n GLU 651 Ca 0.11 0.38 -0.26 0.00 0.66 0.00 0.00 57.16 58.04 2cca n GLU 651 Cb 0.52 -3.90 -0.16 0.00 0.27 0.00 0.00 31.44 28.16 2cca n GLU 651 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2cca s SER 652 N -2.45 2.17 -1.09 4.31 0.15 -1.21 -4.37 113.70 111.21 2cca s SER 652 Ca 0.00 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.11 2cca s SER 652 Cb 0.00 -0.81 0.13 0.00 -1.71 0.00 0.00 66.02 63.64 2cca s SER 652 CO 0.00 0.11 1.35 -0.22 1.20 0.00 0.00 173.24 175.68 2cca s LEU 653 N 0.31 4.76 0.45 3.45 2.96 -0.17 -4.61 118.68 125.83 2cca s LEU 653 Ca -0.10 -2.42 0.06 0.00 -0.22 0.00 0.00 54.13 51.46 2cca s LEU 653 Cb -0.14 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 2cca s LEU 653 CO 0.04 -0.99 0.23 0.42 -1.32 0.00 0.00 176.35 174.73 2cca s THR 654 N 2.64 2.08 -0.40 3.68 -4.23 -1.26 -4.79 115.64 113.35 2cca s THR 654 Ca 0.40 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 2cca s THR 654 Cb -0.03 -2.73 0.53 0.00 1.34 0.00 0.00 72.50 71.61 2cca s THR 654 CO -0.04 0.00 1.49 -0.46 -0.54 0.00 0.00 174.62 175.07 2cca n ASN 655 N -1.38 3.98 -0.25 3.99 6.94 -1.26 -4.64 115.26 122.64 2cca n ASN 655 Ca -0.03 -2.85 0.13 0.00 -0.02 0.00 0.00 54.58 51.81 2cca n ASN 655 Cb 0.64 -0.68 0.41 0.00 -2.36 0.00 0.00 39.78 37.80 2cca n ASN 655 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2cca h ASP 656 N 1.90 0.59 -0.59 0.53 3.32 -1.92 -1.84 116.42 118.41 2cca h ASP 656 Ca 0.19 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.34 2cca h ASP 656 Cb 1.86 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 41.28 2cca h ASP 656 CO 0.53 0.30 0.29 0.15 -1.72 0.00 0.00 179.24 178.78 2cca h PHE 657 N 0.63 0.52 -0.06 4.55 3.57 -1.82 -1.36 116.94 122.96 2cca h PHE 657 Ca 0.43 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.72 2cca h PHE 657 Cb 0.77 -0.15 0.02 0.00 2.79 0.00 0.00 35.95 39.37 2cca h PHE 657 CO -0.00 0.23 -0.91 0.74 -2.23 0.00 0.00 178.31 176.14 2cca h PHE 658 N 0.54 1.03 -0.16 0.41 -1.00 -1.67 -1.90 116.94 114.19 2cca h PHE 658 Ca 0.27 -0.52 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 2cca h PHE 658 Cb 0.22 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2cca h PHE 658 CO -0.11 1.35 0.09 0.28 -1.61 0.00 0.00 178.31 178.31 2cca h VAL 659 N 0.42 1.10 -0.10 -0.55 2.07 -1.37 -3.04 116.25 114.77 2cca h VAL 659 Ca -0.10 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.04 2cca h VAL 659 Cb 1.55 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2cca h VAL 659 CO 0.18 0.09 -0.50 0.78 0.02 0.00 0.00 177.57 178.14 2cca h ASN 660 N 0.16 0.29 0.15 0.57 2.35 -1.29 -2.87 115.58 114.94 2cca h ASN 660 Ca 0.06 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2cca h ASN 660 Cb 0.07 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2cca h ASN 660 CO -0.01 0.75 -0.12 0.25 -1.65 0.00 0.00 177.43 176.65 2cca h LEU 661 N 0.21 0.00 -1.42 1.61 5.85 -1.31 -2.60 115.31 117.65 2cca h LEU 661 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2cca h LEU 661 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2cca h LEU 661 CO 0.08 0.12 -0.00 0.18 -0.34 0.00 0.00 178.44 178.47 2cca n LEU 662 N -4.20 2.21 -4.61 2.25 4.77 -1.09 -4.89 117.00 111.44 2cca n LEU 662 Ca -0.03 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.79 2cca n LEU 662 Cb 0.20 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2cca n LEU 662 CO 0.34 0.37 1.27 -0.62 -1.33 0.00 0.00 177.39 177.42 2cca s ASP 663 N -2.00 6.32 0.00 -1.43 2.15 -0.98 -4.89 116.67 115.83 2cca s ASP 663 Ca 0.33 0.98 0.23 0.00 0.43 0.00 0.00 52.55 54.53 2cca s ASP 663 Cb 0.21 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.47 2cca s ASP 663 CO 0.32 -1.42 1.76 0.23 -0.17 0.00 0.00 175.17 175.89 2cca n MET 664 N 8.01 0.36 0.00 4.34 2.81 -1.26 -2.47 117.12 128.92 2cca n MET 664 Ca 0.17 0.06 0.11 0.00 -1.81 0.00 0.00 57.70 56.24 2cca n MET 664 Cb 0.47 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 32.03 2cca n MET 664 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cca n GLY 665 N 0.65 -1.19 3.55 3.03 0.00 -1.26 -4.72 105.19 105.24 2cca n GLY 665 Ca 0.11 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2cca n GLY 665 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cca s ILE 666 N -2.80 4.26 -0.23 -0.61 1.09 -1.03 -3.89 121.20 118.00 2cca s ILE 666 Ca 0.17 -0.22 -0.07 0.00 -1.10 0.00 0.00 60.65 59.42 2cca s ILE 666 Cb 0.15 -2.90 -0.03 0.00 -1.06 0.00 0.00 42.46 38.62 2cca s ILE 666 CO 0.39 0.47 0.07 -0.89 -0.10 0.00 0.00 174.94 174.88 2cca s THR 667 N 0.45 4.46 -0.08 2.92 2.01 0.52 -4.88 115.64 121.04 2cca s THR 667 Ca -0.01 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 2cca s THR 667 Cb -0.14 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2cca s THR 667 CO 0.02 0.38 0.28 0.26 -0.69 0.00 0.00 174.62 174.87 2cca s TRP 668 N 1.19 3.62 -0.02 4.92 0.52 -1.26 -0.62 118.94 127.28 2cca s TRP 668 Ca 0.04 0.73 -0.04 0.00 0.02 0.00 0.00 56.10 56.85 2cca s TRP 668 Cb -0.14 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.01 2cca s TRP 668 CO 0.03 0.59 0.10 -1.21 0.02 0.00 0.00 176.95 176.48 2cca s GLU 669 N -0.72 0.23 0.34 4.98 2.02 -0.65 -4.98 118.70 119.92 2cca s GLU 669 Ca 0.19 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 2cca s GLU 669 Cb -0.14 0.10 -0.12 0.00 0.10 0.00 0.00 34.13 34.07 2cca s GLU 669 CO 0.08 -0.04 1.50 -2.30 0.02 0.00 0.00 175.26 174.51 2cca n PRO 670 N 2.49 2.58 -1.76 0.39 -0.02 -1.26 -0.34 135.00 137.08 2cca n PRO 670 Ca -0.16 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 2cca n PRO 670 Cb 0.58 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 2cca n PRO 670 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2cca n SER 671 N 1.19 3.36 -0.24 2.55 7.64 -0.52 -4.74 113.62 122.86 2cca n SER 671 Ca 0.05 1.14 0.03 0.00 1.01 0.00 0.00 58.87 61.11 2cca n SER 671 Cb 0.37 -1.60 0.16 0.00 -1.01 0.00 0.00 64.21 62.13 2cca n SER 671 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2cca h PRO 672 N 2.42 0.41 -6.33 1.43 0.11 -1.92 -3.31 132.00 124.82 2cca h PRO 672 Ca -0.50 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.01 2cca h PRO 672 Cb 1.27 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2cca h PRO 672 CO 0.62 0.27 1.03 0.00 -0.21 0.00 0.00 178.00 179.70 2cca s ALA 673 N -6.05 3.33 -0.81 -0.75 0.00 -1.26 -4.91 121.76 111.31 2cca s ALA 673 Ca -0.13 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2cca s ALA 673 Cb 0.19 -3.80 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 2cca s ALA 673 CO 0.76 -1.84 1.98 -3.47 0.00 0.00 0.00 175.76 173.18 2cca n ASP 674 N 7.93 3.45 -1.37 0.00 -0.08 -1.25 -4.57 116.55 120.67 2cca n ASP 674 Ca 0.16 -2.51 0.08 0.00 -1.51 0.00 0.00 54.79 51.02 2cca n ASP 674 Cb 0.46 -1.09 0.32 0.00 2.34 0.00 0.00 41.12 43.16 2cca n ASP 674 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2cca n ASP 675 N 6.03 4.57 -0.08 1.67 5.68 -1.26 -4.92 116.55 128.24 2cca n ASP 675 Ca 0.46 -2.65 -0.01 0.00 -0.50 0.00 0.00 54.79 52.09 2cca n ASP 675 Cb 0.28 -0.56 -0.00 0.00 -1.14 0.00 0.00 41.12 39.70 2cca n ASP 675 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cca n GLY 676 N 0.53 0.47 3.74 6.12 0.00 -1.26 -5.04 105.19 109.75 2cca n GLY 676 Ca 0.24 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2cca n GLY 676 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cca s THR 677 N -1.88 2.45 0.07 2.61 -4.23 -1.26 -3.68 115.64 109.72 2cca s THR 677 Ca 0.00 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2cca s THR 677 Cb 0.00 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 2cca s THR 677 CO 0.00 -0.04 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.64 2cca s TYR 678 N -2.56 0.88 -0.15 3.99 1.51 0.98 -1.44 117.35 120.56 2cca s TYR 678 Ca 0.41 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2cca s TYR 678 Cb 0.02 -0.50 -0.02 0.00 -0.11 0.00 0.00 41.96 41.35 2cca s TYR 678 CO 0.23 -0.06 -0.09 -0.65 -1.11 0.00 0.00 175.55 173.87 2cca s GLN 679 N -2.38 3.47 -0.46 -0.62 -0.21 0.54 -1.91 119.66 118.09 2cca s GLN 679 Ca -0.01 -0.63 -0.13 0.00 0.02 0.00 0.00 55.36 54.62 2cca s GLN 679 Cb -0.05 -2.76 0.09 0.00 1.00 0.00 0.00 33.01 31.29 2cca s GLN 679 CO -0.01 0.17 0.36 0.20 -2.12 0.00 0.00 175.29 173.90 2cca s GLY 680 N 0.48 2.03 -0.08 3.09 0.00 0.12 -1.63 107.32 111.33 2cca s GLY 680 Ca -0.07 -2.25 -0.10 0.00 0.00 0.00 0.00 44.72 42.30 2cca s GLY 680 CO 0.04 1.06 0.23 0.54 0.00 0.00 0.00 173.10 174.97 2cca s LYS 681 N 1.52 3.62 0.14 2.90 1.02 0.21 -0.36 119.74 128.79 2cca s LYS 681 Ca 0.04 0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 2cca s LYS 681 Cb -0.25 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2cca s LYS 681 CO 0.03 0.74 0.19 -0.40 -0.92 0.00 0.00 175.35 174.99 2cca n ASP 682 N 1.96 0.02 0.23 2.83 5.68 -0.31 -0.35 116.55 126.62 2cca n ASP 682 Ca -0.18 -1.07 0.06 0.00 -0.50 0.00 0.00 54.79 53.10 2cca n ASP 682 Cb 0.54 -0.14 0.54 0.00 -1.14 0.00 0.00 41.12 40.92 2cca n ASP 682 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2cca h GLY 683 N -0.24 0.00 1.88 6.12 0.00 -1.89 -1.97 103.07 106.96 2cca h GLY 683 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2cca h GLY 683 CO 0.04 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.44 2cca n SER 684 N -4.38 0.00 0.00 0.19 3.41 -1.26 -4.89 113.62 106.69 2cca n SER 684 Ca -0.03 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2cca n SER 684 Cb 0.21 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2cca n SER 684 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cca n GLY 685 N 1.38 0.78 3.76 5.00 0.00 -0.74 -5.06 105.19 110.30 2cca n GLY 685 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2cca n GLY 685 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cca s LYS 686 N -0.56 4.34 -0.29 1.61 2.20 -1.26 -4.82 119.74 120.96 2cca s LYS 686 Ca 0.00 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 2cca s LYS 686 Cb 0.00 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2cca s LYS 686 CO 0.00 0.34 1.73 0.08 -0.36 0.00 0.00 175.35 177.15 2cca s VAL 687 N -0.12 3.55 -0.19 4.02 1.01 -1.26 -1.16 120.40 126.26 2cca s VAL 687 Ca 0.32 0.58 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 2cca s VAL 687 Cb -0.18 -3.67 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 2cca s VAL 687 CO 0.18 -0.38 0.11 1.17 0.00 0.00 0.00 175.10 176.18 2cca n LYS 688 N 8.17 0.69 -4.30 2.72 4.81 0.51 -4.96 118.16 125.81 2cca n LYS 688 Ca 0.21 0.27 -0.19 0.00 -0.87 0.00 0.00 58.31 57.73 2cca n LYS 688 Cb 0.46 -1.64 -0.11 0.00 0.02 0.00 0.00 35.03 33.76 2cca n LYS 688 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2cca s TRP 689 N -2.52 1.63 0.09 5.64 0.23 -0.84 -5.00 118.94 118.17 2cca s TRP 689 Ca -0.28 -0.53 0.07 0.00 -2.03 0.00 0.00 56.10 53.33 2cca s TRP 689 Cb 0.08 -0.81 -0.03 0.00 0.03 0.00 0.00 33.47 32.73 2cca s TRP 689 CO 0.67 0.26 -0.19 0.95 0.96 0.00 0.00 176.95 179.60 2cca s THR 690 N -2.34 1.57 0.13 2.01 -4.23 -1.26 0.11 115.64 111.64 2cca s THR 690 Ca 0.15 -1.45 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2cca s THR 690 Cb -0.04 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.37 2cca s THR 690 CO 0.05 -0.06 0.30 -0.83 -0.54 0.00 0.00 174.62 173.54 2cca s GLY 691 N -1.78 0.09 0.58 3.99 0.00 -0.80 -1.13 107.32 108.27 2cca s GLY 691 Ca 0.05 -0.52 0.10 0.00 0.00 0.00 0.00 44.72 44.35 2cca s GLY 691 CO 0.04 -0.64 0.79 -1.14 0.00 0.00 0.00 173.10 172.15 2cca n SER 692 N -0.17 2.14 -0.20 1.64 3.41 -1.26 -0.01 113.62 119.16 2cca n SER 692 Ca -0.13 -2.55 0.02 0.00 -0.26 0.00 0.00 58.87 55.95 2cca n SER 692 Cb 0.63 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 64.44 2cca n SER 692 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2cca h ARG 693 N 0.00 0.91 -0.79 4.33 3.08 -1.95 -1.83 114.38 118.12 2cca h ARG 693 Ca -0.27 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 2cca h ARG 693 Cb 1.25 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2cca h ARG 693 CO 0.39 0.60 0.32 0.28 -1.07 0.00 0.00 179.97 180.50 2cca h VAL 694 N 0.94 1.26 -0.11 2.04 2.07 -1.93 -1.23 116.25 119.30 2cca h VAL 694 Ca 0.29 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2cca h VAL 694 Cb -0.01 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2cca h VAL 694 CO -0.08 0.33 -0.02 0.44 0.02 0.00 0.00 177.57 178.27 2cca h ASP 695 N 1.15 0.20 1.02 0.57 3.32 -1.83 -3.32 116.42 117.53 2cca h ASP 695 Ca 0.27 -0.35 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 2cca h ASP 695 Cb 0.20 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2cca h ASP 695 CO -0.02 0.50 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.37 2cca h LEU 696 N -0.10 0.00 -2.16 1.55 3.38 -1.24 -3.12 115.31 113.61 2cca h LEU 696 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2cca h LEU 696 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2cca h LEU 696 CO 0.01 0.56 0.13 1.62 0.09 0.00 0.00 178.44 180.85 2cca h VAL 697 N 0.00 0.69 0.00 1.22 3.04 -1.32 -0.27 116.25 119.61 2cca h VAL 697 Ca -0.01 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.61 2cca h VAL 697 Cb 1.21 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2cca h VAL 697 CO 0.07 0.00 -0.34 -0.26 -1.01 0.00 0.00 177.57 176.03 2cca h PHE 698 N 0.00 0.00 0.00 3.17 -1.00 -1.70 0.22 116.94 117.63 2cca h PHE 698 Ca 0.07 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 2cca h PHE 698 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 2cca h PHE 698 CO 0.00 0.34 -1.52 0.41 -1.61 0.00 0.00 178.31 175.94 2cca n GLY 699 N -0.36 -1.23 0.12 -1.45 0.00 -0.26 -2.19 105.19 99.83 2cca n GLY 699 Ca -0.02 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 2cca n GLY 699 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cca n SER 700 N -2.52 1.98 -4.70 1.61 2.88 -0.34 -4.80 113.62 107.73 2cca n SER 700 Ca -0.04 0.29 -0.42 0.00 -1.33 0.00 0.00 58.87 57.37 2cca n SER 700 Cb 0.61 -0.87 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 2cca n SER 700 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2cca s ASN 701 N -6.97 6.75 0.39 -3.46 2.47 0.05 -4.90 114.94 109.26 2cca s ASN 701 Ca -0.28 2.32 0.14 0.00 0.42 0.00 0.00 52.86 55.46 2cca s ASN 701 Cb 0.07 -2.57 0.79 0.00 -1.45 0.00 0.00 41.25 38.09 2cca s ASN 701 CO 0.65 -0.76 1.86 0.77 -3.72 0.00 0.00 177.10 175.90 2cca h SER 702 N 7.59 0.00 0.59 -4.21 4.64 -1.89 0.14 113.55 120.40 2cca h SER 702 Ca -0.41 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.63 2cca h SER 702 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2cca h SER 702 CO 0.90 0.33 -1.36 -0.33 -0.87 0.00 0.00 176.83 175.50 2cca h GLU 703 N 0.00 0.22 -0.13 4.77 5.08 -1.96 -3.12 114.58 119.45 2cca h GLU 703 Ca -0.00 -0.38 -0.20 0.00 -1.00 0.00 0.00 59.36 57.77 2cca h GLU 703 Cb 0.60 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2cca h GLU 703 CO 0.04 1.12 -0.74 -0.07 -1.00 0.00 0.00 179.01 178.37 2cca h LEU 704 N 0.06 0.75 -1.31 1.33 3.38 -1.78 -3.17 115.31 114.57 2cca h LEU 704 Ca -0.17 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.35 2cca h LEU 704 Cb 1.97 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 2cca h LEU 704 CO 0.17 1.25 0.49 -0.09 0.09 0.00 0.00 178.44 180.35 2cca h ARG 705 N 0.44 0.86 -0.79 1.13 2.43 -0.22 -0.93 114.38 117.28 2cca h ARG 705 Ca -0.04 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2cca h ARG 705 Cb 1.34 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 2cca h ARG 705 CO 0.14 0.57 0.47 0.00 -1.51 0.00 0.00 179.97 179.64 2cca h ALA 706 N 1.57 1.10 -0.28 2.80 0.00 -1.51 0.58 119.26 123.51 2cca h ALA 706 Ca 0.30 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2cca h ALA 706 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cca h ALA 706 CO -0.09 0.17 -0.44 -0.07 0.00 0.00 0.00 179.25 178.82 2cca h LEU 707 N 0.85 0.77 -1.00 0.00 3.38 -1.25 -2.91 115.31 115.15 2cca h LEU 707 Ca 0.36 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2cca h LEU 707 Cb 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2cca h LEU 707 CO -0.19 1.10 0.15 0.58 0.09 0.00 0.00 178.44 180.17 2cca h VAL 708 N 0.58 1.23 0.00 1.22 2.07 -0.53 -2.42 116.25 118.40 2cca h VAL 708 Ca 0.04 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2cca h VAL 708 Cb 0.99 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2cca h VAL 708 CO 0.09 0.31 -0.09 -0.33 0.02 0.00 0.00 177.57 177.57 2cca h GLU 709 N 0.84 0.00 0.16 1.57 5.08 -0.75 0.22 114.58 121.71 2cca h GLU 709 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2cca h GLU 709 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2cca h GLU 709 CO -0.00 0.09 -0.08 0.28 -1.00 0.00 0.00 179.01 178.30 2cca h VAL 710 N 0.00 0.93 -0.00 3.13 2.07 -1.25 -3.24 116.25 117.89 2cca h VAL 710 Ca -0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2cca h VAL 710 Cb 0.44 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2cca h VAL 710 CO 0.01 0.21 -0.09 -1.22 0.02 0.00 0.00 177.57 176.50 2cca n TYR 711 N -4.96 0.00 1.07 1.57 4.02 -0.99 -3.21 117.16 114.66 2cca n TYR 711 Ca -0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.92 2cca n TYR 711 Cb 0.26 -0.38 0.10 0.00 -0.02 0.00 0.00 39.34 39.30 2cca n TYR 711 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2cca n GLY 712 N 1.44 0.11 3.79 2.72 0.00 0.75 -4.72 105.19 109.27 2cca n GLY 712 Ca 0.09 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 2cca n GLY 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cca s ALA 713 N -2.37 2.53 0.50 4.61 0.00 -1.20 -4.54 121.76 121.29 2cca s ALA 713 Ca 0.22 0.33 0.19 0.00 0.00 0.00 0.00 51.96 52.70 2cca s ALA 713 Cb 0.19 -3.25 1.25 0.00 0.00 0.00 0.00 23.12 21.31 2cca s ALA 713 CO 0.50 -1.27 2.04 -0.44 0.00 0.00 0.00 175.76 176.59 2cca h ASP 714 N -0.34 0.11 -0.29 0.00 3.45 -1.94 -2.37 116.42 115.04 2cca h ASP 714 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 2cca h ASP 714 Cb 1.23 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2cca h ASP 714 CO 0.55 0.07 0.00 -0.90 -1.57 0.00 0.00 179.24 177.39 2cca n ASP 715 N -4.45 2.19 0.00 6.45 5.75 -1.26 -4.55 116.55 120.67 2cca n ASP 715 Ca 0.06 -1.85 0.11 0.00 -0.01 0.00 0.00 54.79 53.10 2cca n ASP 715 Cb 0.38 -0.19 0.05 0.00 -1.03 0.00 0.00 41.12 40.33 2cca n ASP 715 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cca n ALA 716 N 0.67 4.17 0.02 2.12 0.00 -0.89 -4.51 120.51 122.09 2cca n ALA 716 Ca 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 2cca n ALA 716 Cb 0.39 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 2cca n ALA 716 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2cca h GLN 717 N 0.00 0.06 -0.53 0.00 4.15 -1.80 0.11 115.11 117.09 2cca h GLN 717 Ca 0.00 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.48 2cca h GLN 717 Cb 0.51 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 2cca h GLN 717 CO 0.00 0.08 0.21 -1.35 -1.93 0.00 0.00 178.83 175.84 2cca h PRO 718 N 0.01 0.39 -0.59 -2.39 0.11 -1.96 -1.38 132.00 126.19 2cca h PRO 718 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2cca h PRO 718 Cb 0.04 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 2cca h PRO 718 CO -0.00 0.26 0.39 -0.22 -0.21 0.00 0.00 178.00 178.22 2cca h LYS 719 N 0.41 0.78 -0.12 1.05 3.64 -1.76 -1.66 116.57 118.91 2cca h LYS 719 Ca 0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2cca h LYS 719 Cb 0.26 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2cca h LYS 719 CO -0.24 0.52 -0.03 0.35 -2.27 0.00 0.00 179.45 177.78 2cca h PHE 720 N 0.80 -0.07 -0.44 1.91 3.57 -0.29 0.69 116.94 123.11 2cca h PHE 720 Ca 0.22 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 2cca h PHE 720 Cb -0.08 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 2cca h PHE 720 CO -0.03 -0.05 0.21 0.28 -2.23 0.00 0.00 178.31 176.49 2cca h VAL 721 N -0.00 0.96 0.08 1.41 2.07 -1.09 0.30 116.25 119.97 2cca h VAL 721 Ca 0.06 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2cca h VAL 721 Cb 0.09 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2cca h VAL 721 CO -0.12 0.08 -0.04 1.56 0.02 0.00 0.00 177.57 179.06 2cca h GLN 722 N 0.43 -0.10 -0.46 1.57 4.20 -0.97 -1.44 115.11 118.34 2cca h GLN 722 Ca 0.19 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 2cca h GLN 722 Cb 0.11 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2cca h GLN 722 CO -0.14 -0.06 -0.10 -0.44 -0.67 0.00 0.00 178.83 177.41 2cca h ASP 723 N -0.11 0.82 -0.66 1.46 3.32 -0.62 -1.57 116.42 119.05 2cca h ASP 723 Ca -0.01 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 2cca h ASP 723 Cb 0.08 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2cca h ASP 723 CO 0.02 0.94 0.38 0.15 -1.72 0.00 0.00 179.24 179.01 2cca h PHE 724 N 0.75 0.89 -0.40 4.55 3.57 -0.29 -1.63 116.94 124.38 2cca h PHE 724 Ca 0.13 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 2cca h PHE 724 Cb 0.60 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2cca h PHE 724 CO 0.03 0.62 -0.23 0.28 -2.23 0.00 0.00 178.31 176.78 2cca h VAL 725 N 0.90 1.27 -0.43 1.41 2.07 -0.99 0.53 116.25 121.01 2cca h VAL 725 Ca 0.23 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2cca h VAL 725 Cb 0.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2cca h VAL 725 CO -0.04 0.45 0.12 0.00 0.02 0.00 0.00 177.57 178.13 2cca h ALA 726 N 1.04 0.57 -0.37 1.67 0.00 -1.15 -0.86 119.26 120.16 2cca h ALA 726 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2cca h ALA 726 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2cca h ALA 726 CO 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 2cca h ALA 727 N 0.98 0.50 -0.05 0.00 0.00 -1.12 -1.33 119.26 118.23 2cca h ALA 727 Ca 0.14 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2cca h ALA 727 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2cca h ALA 727 CO -0.00 0.29 -0.11 2.35 0.00 0.00 0.00 179.25 181.78 2cca h TRP 728 N 0.48 -0.28 -0.92 0.00 2.91 -0.84 -1.84 115.95 115.47 2cca h TRP 728 Ca 0.10 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.20 2cca h TRP 728 Cb 0.50 0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 29.22 2cca h TRP 728 CO 0.04 -0.17 0.58 0.22 -1.03 0.00 0.00 178.44 178.09 2cca h ASP 729 N -0.16 0.93 -0.46 2.65 3.58 -1.04 -0.83 116.42 121.09 2cca h ASP 729 Ca 0.06 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.55 2cca h ASP 729 Cb 0.24 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 2cca h ASP 729 CO -0.15 0.60 0.24 0.50 -2.88 0.00 0.00 179.24 177.55 2cca h LYS 730 N 1.07 0.47 -0.38 0.28 3.64 -0.87 -2.20 116.57 118.58 2cca h LYS 730 Ca 0.40 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 2cca h LYS 730 Cb 0.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2cca h LYS 730 CO -0.17 0.31 0.03 0.28 -2.27 0.00 0.00 179.45 177.64 2cca h VAL 731 N 0.49 1.25 -0.19 2.00 2.07 -0.50 -2.39 116.25 118.98 2cca h VAL 731 Ca 0.19 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2cca h VAL 731 Cb 0.08 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2cca h VAL 731 CO -0.12 0.31 0.15 0.24 0.02 0.00 0.00 177.57 178.17 2cca h MET 732 N 0.48 0.00 -0.26 1.57 2.86 -1.00 -2.83 114.93 115.74 2cca h MET 732 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2cca h MET 732 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2cca h MET 732 CO 0.01 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.07 2cca n ASN 733 N -4.23 3.01 -0.25 1.22 3.02 -0.85 -4.71 115.26 112.47 2cca n ASN 733 Ca 0.02 -1.88 0.04 0.00 -0.03 0.00 0.00 54.58 52.72 2cca n ASN 733 Cb 0.29 -0.16 0.17 0.00 -0.61 0.00 0.00 39.78 39.46 2cca n ASN 733 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2cca h LEU 734 N 3.67 0.36 -1.08 3.41 3.38 -1.18 -1.43 115.31 122.43 2cca h LEU 734 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2cca h LEU 734 Cb 0.84 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2cca h LEU 734 CO 0.00 0.17 0.00 -0.90 0.09 0.00 0.00 178.44 177.80 2cca n ASP 735 N -4.95 1.64 -2.84 -0.43 3.85 -1.26 -4.70 116.55 107.86 2cca n ASP 735 Ca 0.13 -1.67 -0.29 0.00 -0.71 0.00 0.00 54.79 52.25 2cca n ASP 735 Cb 0.37 -0.09 -0.08 0.00 -1.35 0.00 0.00 41.12 39.97 2cca n ASP 735 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2cca n ARG 736 N 0.30 3.13 0.08 0.11 5.12 -0.54 -4.51 116.66 120.35 2cca n ARG 736 Ca 0.17 -1.87 0.11 0.00 -1.93 0.00 0.00 57.85 54.33 2cca n ARG 736 Cb 0.33 -2.49 0.44 0.00 -1.16 0.00 0.00 32.46 29.59 2cca n ARG 736 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2cca n PHE 737 N 3.00 0.55 0.27 -1.55 3.01 -1.26 -2.58 117.46 118.90 2cca n PHE 737 Ca 0.65 0.20 0.15 0.00 1.01 0.00 0.00 57.45 59.46 2cca n PHE 737 Cb 0.48 -0.83 0.73 0.00 -0.01 0.00 0.00 39.48 39.85 2cca n PHE 737 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 2cca h ASP 738 N 0.00 0.00 -0.13 4.37 -0.00 -1.93 -2.96 116.42 115.77 2cca h ASP 738 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2cca h ASP 738 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 2cca h ASP 738 CO 0.00 0.08 0.00 1.33 -0.00 0.00 0.00 179.24 180.65 2cca n VAL 739 N -3.30 1.61 -0.12 4.15 0.24 -1.06 -5.14 118.33 114.71 2cca n VAL 739 Ca -0.01 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.67 2cca n VAL 739 Cb 0.28 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2cca n VAL 739 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23