#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n68 s ARG 31 N 0.00 3.46 0.79 3.49 0.52 -1.26 -5.00 118.95 120.95 1n68 s ARG 31 Ca 0.00 2.15 -0.11 0.00 -0.52 0.00 0.00 55.73 57.25 1n68 s ARG 31 Cb 0.00 -2.41 0.07 0.00 0.52 0.00 0.00 34.95 33.13 1n68 s ARG 31 CO 0.00 -0.91 1.12 -1.25 0.02 0.00 0.00 175.30 174.28 1n68 s PRO 32 N -2.71 1.99 0.52 3.54 0.04 -1.26 -4.63 135.00 132.49 1n68 s PRO 32 Ca 0.66 1.36 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 1n68 s PRO 32 Cb -0.38 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 1n68 s PRO 32 CO 0.46 -1.87 0.99 0.95 0.04 0.00 0.00 177.00 177.58 1n68 s THR 33 N -2.67 4.42 -0.00 1.26 -4.23 -1.26 -0.93 115.64 112.22 1n68 s THR 33 Ca 0.65 1.18 -0.30 0.00 -1.18 0.00 0.00 61.69 62.04 1n68 s THR 33 Cb -0.20 -3.67 -0.08 0.00 1.34 0.00 0.00 72.50 69.89 1n68 s THR 33 CO 0.53 -0.64 1.92 -0.22 -0.54 0.00 0.00 174.62 175.67 1n68 s LEU 34 N -4.08 4.34 0.34 4.79 2.96 0.73 -4.72 118.68 123.04 1n68 s LEU 34 Ca 0.60 2.52 -0.29 0.00 -0.22 0.00 0.00 54.13 56.74 1n68 s LEU 34 Cb -0.11 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.94 1n68 s LEU 34 CO 0.31 -1.09 1.43 -2.65 -1.32 0.00 0.00 176.35 173.03 1n68 n PRO 35 N 7.55 2.44 -3.92 0.98 -0.02 -1.26 -4.99 135.00 135.79 1n68 n PRO 35 Ca 0.20 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 62.19 1n68 n PRO 35 Cb 0.42 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 1n68 n PRO 35 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1n68 s ILE 36 N -0.84 2.98 0.35 4.25 -1.09 -1.26 -4.89 121.20 120.70 1n68 s ILE 36 Ca 0.57 -1.28 -0.28 0.00 -2.23 0.00 0.00 60.65 57.42 1n68 s ILE 36 Cb -0.52 -2.66 -0.12 0.00 -1.58 0.00 0.00 42.46 37.58 1n68 s ILE 36 CO 0.60 -0.03 1.46 -2.65 -1.23 0.00 0.00 174.94 173.09 1n68 n PRO 37 N 4.64 2.53 -1.98 2.79 -0.02 -1.26 -4.92 135.00 136.79 1n68 n PRO 37 Ca -0.14 0.89 -0.39 0.00 -2.02 0.00 0.00 63.50 61.84 1n68 n PRO 37 Cb 0.44 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1n68 n PRO 37 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n68 s ASP 38 N -0.06 6.12 -0.30 2.55 1.01 -1.26 -4.57 116.67 120.15 1n68 s ASP 38 Ca 0.56 2.72 -0.23 0.00 0.71 0.00 0.00 52.55 56.31 1n68 s ASP 38 Cb -0.51 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 40.78 1n68 s ASP 38 CO 0.61 -0.99 0.76 -0.22 0.21 0.00 0.00 175.17 175.55 1n68 s LEU 39 N -2.60 4.09 -0.22 1.23 2.96 -1.26 -0.36 118.68 122.53 1n68 s LEU 39 Ca 0.59 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 55.14 1n68 s LEU 39 Cb -0.39 -3.04 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 1n68 s LEU 39 CO 0.50 -0.58 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.67 1n68 s LEU 40 N 2.88 2.80 0.44 -0.68 0.20 0.17 -4.96 118.68 119.53 1n68 s LEU 40 Ca 0.31 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.76 1n68 s LEU 40 Cb -0.14 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.87 1n68 s LEU 40 CO 0.12 -0.02 0.12 0.42 -0.29 0.00 0.00 176.35 176.70 1n68 s THR 41 N 1.45 1.97 0.60 3.68 -4.23 -1.26 -1.00 115.64 116.86 1n68 s THR 41 Ca 0.06 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 58.58 1n68 s THR 41 Cb -0.14 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1n68 s THR 41 CO -0.05 0.00 1.12 0.42 -0.54 0.00 0.00 174.62 175.58 1n68 s THR 42 N -2.69 3.18 0.00 3.99 -4.23 -1.26 -4.81 115.64 109.82 1n68 s THR 42 Ca 0.33 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1n68 s THR 42 Cb 0.05 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1n68 s THR 42 CO 0.18 -0.25 0.00 -0.90 -0.54 0.00 0.00 174.62 173.11 1n68 n ASP 43 N -1.85 0.00 0.30 3.99 5.68 -0.34 -4.83 116.55 119.49 1n68 n ASP 43 Ca 0.11 -0.94 0.18 0.00 -0.50 0.00 0.00 54.79 53.64 1n68 n ASP 43 Cb 0.51 0.00 0.92 0.00 -1.14 0.00 0.00 41.12 41.41 1n68 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n68 h ALA 44 N -0.90 1.11 -0.14 2.12 0.00 -1.97 0.03 119.26 119.51 1n68 h ALA 44 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n68 h ALA 44 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n68 h ALA 44 CO 0.00 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1n68 n ARG 45 N -3.30 1.68 -2.03 0.00 1.74 -1.26 -4.91 116.66 108.59 1n68 n ARG 45 Ca -0.02 -1.02 -0.12 0.00 -0.77 0.00 0.00 57.85 55.92 1n68 n ARG 45 Cb 0.18 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.21 1n68 n ARG 45 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1n68 n ASN 46 N 0.25 -4.03 -4.57 0.55 5.15 -0.00 -4.96 115.26 107.65 1n68 n ASN 46 Ca 0.16 0.06 -0.28 0.00 -0.60 0.00 0.00 54.58 53.92 1n68 n ASN 46 Cb 0.32 -3.09 -0.10 0.00 -0.53 0.00 0.00 39.78 36.38 1n68 n ASN 46 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1n68 s ARG 47 N -4.24 2.07 -0.05 1.20 0.52 -1.26 -1.71 118.95 115.48 1n68 s ARG 47 Ca 0.00 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.11 1n68 s ARG 47 Cb 0.00 -2.23 -0.00 0.00 0.52 0.00 0.00 34.95 33.24 1n68 s ARG 47 CO 0.00 0.47 -0.17 0.42 0.02 0.00 0.00 175.30 176.04 1n68 s ILE 48 N -1.42 1.48 -0.21 1.52 1.01 0.11 -1.20 121.20 122.49 1n68 s ILE 48 Ca 0.23 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1n68 s ILE 48 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1n68 s ILE 48 CO 0.14 0.43 0.07 -1.58 0.00 0.00 0.00 174.94 174.00 1n68 s GLN 49 N 0.15 3.87 -0.13 2.79 0.74 -1.26 -0.05 119.66 125.75 1n68 s GLN 49 Ca -0.07 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 54.97 1n68 s GLN 49 Cb -0.13 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.72 1n68 s GLN 49 CO 0.03 0.10 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.17 1n68 s LEU 50 N 0.86 1.95 -0.22 3.68 1.43 0.66 -4.95 118.68 122.09 1n68 s LEU 50 Ca 0.04 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1n68 s LEU 50 Cb -0.14 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1n68 s LEU 50 CO 0.02 0.05 0.04 -0.89 0.23 0.00 0.00 176.35 175.80 1n68 s THR 51 N 0.93 4.19 -0.26 5.49 2.01 -1.26 -0.54 115.64 126.21 1n68 s THR 51 Ca -0.06 -0.22 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1n68 s THR 51 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1n68 s THR 51 CO -0.03 0.40 0.35 -0.63 -0.69 0.00 0.00 174.62 174.02 1n68 s ILE 52 N 1.17 5.20 0.25 1.82 1.01 0.13 -0.75 121.20 130.03 1n68 s ILE 52 Ca 0.04 0.55 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 1n68 s ILE 52 Cb -0.14 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1n68 s ILE 52 CO 0.02 0.19 0.66 -0.83 0.00 0.00 0.00 174.94 174.97 1n68 s GLY 53 N 1.53 -0.07 -0.10 6.18 0.00 -0.63 0.08 107.32 114.31 1n68 s GLY 53 Ca 0.15 -0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 1n68 s GLY 53 CO 0.09 -0.15 0.24 0.00 0.00 0.00 0.00 173.10 173.29 1n68 s ALA 54 N -3.91 3.77 0.00 3.20 0.00 -1.26 -0.88 121.76 122.69 1n68 s ALA 54 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1n68 s ALA 54 Cb -0.04 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1n68 s ALA 54 CO 0.04 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1n68 n GLY 55 N 2.23 4.48 3.03 0.00 0.00 0.44 -4.99 105.19 110.38 1n68 n GLY 55 Ca -0.17 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1n68 n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n68 s GLN 56 N 1.87 0.43 0.32 1.61 1.11 -1.26 -1.69 119.66 122.06 1n68 s GLN 56 Ca 0.00 -0.79 0.03 0.00 0.01 0.00 0.00 55.36 54.61 1n68 s GLN 56 Cb 0.00 0.04 -0.05 0.00 -1.01 0.00 0.00 33.01 31.99 1n68 s GLN 56 CO 0.00 -0.04 0.08 -1.12 0.01 0.00 0.00 175.29 174.22 1n68 s SER 57 N -1.85 2.11 -0.12 5.90 0.01 -0.16 -4.86 113.70 114.74 1n68 s SER 57 Ca -0.09 -1.43 0.03 0.00 1.31 0.00 0.00 55.95 55.76 1n68 s SER 57 Cb -0.06 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1n68 s SER 57 CO -0.03 -0.70 -0.21 -0.89 0.41 0.00 0.00 173.24 171.83 1n68 s THR 58 N -3.41 1.89 -0.14 1.44 2.01 -1.26 -1.07 115.64 115.09 1n68 s THR 58 Ca 0.35 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1n68 s THR 58 Cb 0.07 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1n68 s THR 58 CO 0.15 0.52 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.09 1n68 s PHE 59 N 0.71 2.17 -1.47 4.92 0.08 -0.39 -4.72 117.98 119.28 1n68 s PHE 59 Ca -0.11 -1.19 -0.09 0.00 0.12 0.00 0.00 56.93 55.66 1n68 s PHE 59 Cb -0.16 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 40.76 1n68 s PHE 59 CO 0.02 -0.65 0.85 0.41 -0.10 0.00 0.00 175.22 175.75 1n68 n GLY 60 N 4.67 -0.41 2.71 4.36 0.00 -1.26 -1.14 105.19 114.12 1n68 n GLY 60 Ca -0.17 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1n68 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n68 n GLY 61 N -1.67 0.31 3.37 -0.02 0.00 -1.26 -4.98 105.19 100.94 1n68 n GLY 61 Ca -0.08 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1n68 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n68 s LYS 62 N -1.73 3.23 0.28 1.61 2.20 -0.29 -5.09 119.74 119.95 1n68 s LYS 62 Ca 0.00 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 1n68 s LYS 62 Cb 0.00 -2.56 -0.09 0.00 -1.51 0.00 0.00 37.83 33.67 1n68 s LYS 62 CO 0.00 0.26 1.07 0.99 -0.36 0.00 0.00 175.35 177.31 1n68 s THR 63 N 0.21 3.59 -0.00 3.43 2.01 -1.26 -1.27 115.64 122.36 1n68 s THR 63 Ca -0.09 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1n68 s THR 63 Cb -0.15 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1n68 s THR 63 CO 0.05 0.38 -0.01 0.00 -0.69 0.00 0.00 174.62 174.36 1n68 s ALA 64 N -1.18 0.07 0.12 7.40 0.00 -0.23 -4.36 121.76 123.58 1n68 s ALA 64 Ca 0.44 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 1n68 s ALA 64 Cb -0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1n68 s ALA 64 CO 0.39 0.01 1.51 0.99 0.00 0.00 0.00 175.76 178.66 1n68 s THR 65 N 0.07 3.00 0.09 0.00 2.01 -1.26 -0.98 115.64 118.57 1n68 s THR 65 Ca -0.01 0.66 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 1n68 s THR 65 Cb -0.01 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1n68 s THR 65 CO -0.00 0.04 -0.01 0.42 -0.69 0.00 0.00 174.62 174.37 1n68 s THR 66 N 1.50 0.34 0.02 -0.82 -4.23 -0.68 -4.65 115.64 107.12 1n68 s THR 66 Ca 0.68 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1n68 s THR 66 Cb -0.40 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1n68 s THR 66 CO 0.31 -0.79 -0.18 0.26 -0.54 0.00 0.00 174.62 173.68 1n68 s TRP 67 N -3.86 2.58 0.18 3.99 0.51 0.31 -0.42 118.94 122.23 1n68 s TRP 67 Ca 0.14 -0.24 -0.09 0.00 -2.12 0.00 0.00 56.10 53.79 1n68 s TRP 67 Cb 0.07 -1.50 -0.01 0.00 -0.81 0.00 0.00 33.47 31.22 1n68 s TRP 67 CO -0.05 0.22 0.31 0.20 -0.51 0.00 0.00 176.95 177.12 1n68 s GLY 68 N -1.25 0.59 -0.20 0.98 0.00 -0.05 -3.53 107.32 103.86 1n68 s GLY 68 Ca 0.14 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.73 1n68 s GLY 68 CO 0.04 -0.86 0.41 -0.19 0.00 0.00 0.00 173.10 172.50 1n68 s TYR 69 N -4.00 3.38 -1.56 1.90 2.02 0.40 -1.61 117.35 117.89 1n68 s TYR 69 Ca 0.21 0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 57.45 1n68 s TYR 69 Cb 0.03 -2.53 0.08 0.00 -0.40 0.00 0.00 41.96 39.14 1n68 s TYR 69 CO 0.03 0.00 0.61 0.09 -1.57 0.00 0.00 175.55 174.72 1n68 n ASN 70 N 4.41 -1.98 0.00 2.29 3.02 0.07 -4.10 115.26 118.97 1n68 n ASN 70 Ca -0.08 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1n68 n ASN 70 Cb 0.51 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 1n68 n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n68 n GLY 71 N -1.71 -1.69 0.15 7.41 0.00 -1.26 -4.90 105.19 103.20 1n68 n GLY 71 Ca -0.11 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.65 1n68 n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n68 h ASN 72 N 0.00 0.00 -4.05 1.61 2.35 -1.86 -3.12 115.58 110.50 1n68 h ASN 72 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1n68 h ASN 72 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 1n68 h ASN 72 CO 0.00 0.45 0.13 -0.22 -1.65 0.00 0.00 177.43 176.14 1n68 s LEU 73 N -6.56 -0.73 0.00 1.61 2.96 -1.24 -2.95 118.68 111.76 1n68 s LEU 73 Ca 0.03 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1n68 s LEU 73 Cb 0.08 2.46 0.00 0.00 0.50 0.00 0.00 46.19 49.23 1n68 s LEU 73 CO 0.73 -0.27 0.00 0.18 -1.32 0.00 0.00 176.35 175.67 1n68 n LEU 74 N 2.59 0.00 0.00 -0.68 4.77 0.31 -4.64 117.00 119.35 1n68 n LEU 74 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1n68 n LEU 74 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1n68 n LEU 74 CO 0.04 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1n68 n GLY 75 N 0.00 -0.20 3.89 -0.72 0.00 -0.68 -0.45 105.19 107.03 1n68 n GLY 75 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1n68 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n68 s PRO 76 N -2.00 0.47 -0.40 1.61 0.04 -1.26 -4.66 135.00 128.80 1n68 s PRO 76 Ca 0.00 -0.34 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 1n68 s PRO 76 Cb 0.00 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.78 1n68 s PRO 76 CO 0.00 -2.54 0.22 0.00 0.04 0.00 0.00 177.00 174.72 1n68 s ALA 77 N -3.77 3.25 -0.17 8.56 0.00 0.52 -1.42 121.76 128.73 1n68 s ALA 77 Ca 0.73 -2.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 1n68 s ALA 77 Cb -0.05 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1n68 s ALA 77 CO 0.53 -1.55 1.14 0.08 0.00 0.00 0.00 175.76 175.97 1n68 s VAL 78 N 1.45 4.48 -0.26 0.00 1.01 0.60 -0.66 120.40 127.02 1n68 s VAL 78 Ca 0.02 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.68 1n68 s VAL 78 Cb -0.22 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1n68 s VAL 78 CO 0.03 -0.12 0.17 -0.75 0.00 0.00 0.00 175.10 174.43 1n68 s LYS 79 N 3.06 3.99 0.11 2.72 2.20 -0.17 -0.08 119.74 131.58 1n68 s LYS 79 Ca 0.50 -0.30 0.09 0.00 -0.36 0.00 0.00 55.97 55.90 1n68 s LYS 79 Cb -0.19 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1n68 s LYS 79 CO 0.13 -0.08 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.30 1n68 s LEU 80 N 1.46 2.31 -0.08 5.43 1.43 -0.02 -4.63 118.68 124.57 1n68 s LEU 80 Ca 0.07 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1n68 s LEU 80 Cb -0.15 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1n68 s LEU 80 CO 0.08 0.10 -0.22 -1.58 0.23 0.00 0.00 176.35 174.96 1n68 s GLN 81 N -1.95 2.80 0.29 1.70 2.00 -1.26 -0.56 119.66 122.67 1n68 s GLN 81 Ca 0.09 -0.85 -0.30 0.00 -2.00 0.00 0.00 55.36 52.30 1n68 s GLN 81 Cb -0.10 -2.29 -0.12 0.00 0.80 0.00 0.00 33.01 31.30 1n68 s GLN 81 CO 0.05 0.33 1.55 -2.13 -0.50 0.00 0.00 175.29 174.58 1n68 n ARG 82 N 3.12 2.56 -0.49 1.67 0.63 -0.19 -1.84 116.66 122.12 1n68 n ARG 82 Ca -0.18 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1n68 n ARG 82 Cb 0.52 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1n68 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n68 n GLY 83 N 2.09 0.81 3.41 5.14 0.00 0.21 -4.96 105.19 111.90 1n68 n GLY 83 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1n68 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n68 s LYS 84 N -0.48 1.68 0.08 1.61 1.02 -0.77 -4.94 119.74 117.94 1n68 s LYS 84 Ca 0.00 -1.20 -0.07 0.00 0.02 0.00 0.00 55.97 54.72 1n68 s LYS 84 Cb 0.00 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1n68 s LYS 84 CO 0.00 0.48 0.35 0.00 -0.92 0.00 0.00 175.35 175.26 1n68 s ALA 85 N -1.00 3.80 0.04 5.17 0.00 -1.26 -1.83 121.76 126.67 1n68 s ALA 85 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1n68 s ALA 85 Cb -0.10 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 1n68 s ALA 85 CO 0.06 0.64 -0.08 0.14 0.00 0.00 0.00 175.76 176.52 1n68 s VAL 86 N -1.48 0.55 -0.17 0.00 -7.23 -0.11 -4.97 120.40 106.99 1n68 s VAL 86 Ca 0.35 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 1n68 s VAL 86 Cb -0.13 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1n68 s VAL 86 CO 0.20 -0.32 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.75 1n68 s THR 87 N -1.23 3.73 -0.20 5.32 2.01 -0.69 -0.14 115.64 124.44 1n68 s THR 87 Ca -0.08 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 1n68 s THR 87 Cb -0.09 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1n68 s THR 87 CO 0.00 0.47 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 1n68 s VAL 88 N 0.70 3.89 -0.33 3.82 1.01 -0.20 0.09 120.40 129.37 1n68 s VAL 88 Ca -0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1n68 s VAL 88 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1n68 s VAL 88 CO 0.02 0.43 0.27 -1.81 0.00 0.00 0.00 175.10 174.01 1n68 s ASP 89 N 0.99 6.09 -0.29 3.32 1.01 0.92 -1.50 116.67 127.22 1n68 s ASP 89 Ca 0.01 -0.30 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 1n68 s ASP 89 Cb -0.14 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.67 1n68 s ASP 89 CO 0.02 -0.24 0.01 -0.63 0.21 0.00 0.00 175.17 174.54 1n68 s ILE 90 N 1.81 3.27 -0.36 0.77 1.01 -0.04 -0.25 121.20 127.42 1n68 s ILE 90 Ca 0.08 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1n68 s ILE 90 Cb -0.17 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1n68 s ILE 90 CO 0.11 0.01 0.22 -0.31 0.00 0.00 0.00 174.94 174.97 1n68 s TYR 91 N 1.35 3.22 -0.56 3.97 1.51 0.30 -0.93 117.35 126.22 1n68 s TYR 91 Ca -0.02 -0.57 -0.23 0.00 -1.01 0.00 0.00 57.07 55.24 1n68 s TYR 91 Cb -0.18 -2.46 0.05 0.00 -0.11 0.00 0.00 41.96 39.26 1n68 s TYR 91 CO -0.01 -0.51 0.89 1.21 -1.11 0.00 0.00 175.55 176.03 1n68 s ASN 92 N 1.64 6.30 -0.15 2.29 2.47 -0.36 0.20 114.94 127.33 1n68 s ASN 92 Ca 0.04 -0.53 0.16 0.00 0.42 0.00 0.00 52.86 52.96 1n68 s ASN 92 Cb -0.18 -2.41 0.64 0.00 -1.45 0.00 0.00 41.25 37.85 1n68 s ASN 92 CO 0.08 -1.20 1.55 0.00 -3.72 0.00 0.00 177.10 173.82 1n68 n GLN 93 N 7.27 3.66 -1.91 0.43 6.02 0.11 -0.07 117.38 132.89 1n68 n GLN 93 Ca -0.00 -2.84 -0.29 0.00 -0.01 0.00 0.00 57.00 53.85 1n68 n GLN 93 Cb 0.47 -1.89 0.07 0.00 1.02 0.00 0.00 30.24 29.91 1n68 n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1n68 s LEU 94 N -2.27 2.67 0.00 1.08 1.43 -1.18 -4.63 118.68 115.79 1n68 s LEU 94 Ca 0.46 0.90 0.28 0.00 -1.03 0.00 0.00 54.13 54.74 1n68 s LEU 94 Cb 0.33 -3.52 0.96 0.00 0.03 0.00 0.00 46.19 43.99 1n68 s LEU 94 CO 0.17 -1.67 1.69 0.35 0.23 0.00 0.00 176.35 177.12 1n68 n THR 95 N -3.18 0.00 -4.39 5.49 -2.24 -1.26 -3.78 114.28 104.93 1n68 n THR 95 Ca 0.08 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1n68 n THR 95 Cb 0.59 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 1n68 n THR 95 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1n68 s GLU 96 N -2.09 1.44 0.57 -0.78 -1.05 -1.26 -4.83 118.70 110.71 1n68 s GLU 96 Ca 0.35 -1.69 -0.20 0.00 -0.15 0.00 0.00 54.97 53.28 1n68 s GLU 96 Cb 0.21 -1.12 -0.04 0.00 -0.44 0.00 0.00 34.13 32.74 1n68 s GLU 96 CO 0.37 0.10 1.28 -1.21 0.95 0.00 0.00 175.26 176.75 1n68 s GLU 97 N -3.69 3.02 0.34 -4.83 2.02 -1.26 -4.33 118.70 109.97 1n68 s GLU 97 Ca 0.26 2.03 -0.06 0.00 0.02 0.00 0.00 54.97 57.22 1n68 s GLU 97 Cb 0.02 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1n68 s GLU 97 CO 0.10 -1.22 0.53 -0.08 0.02 0.00 0.00 175.26 174.61 1n68 s THR 98 N -1.43 0.00 0.18 3.63 -1.32 -1.19 -4.96 115.64 110.55 1n68 s THR 98 Ca 0.75 -1.47 -0.01 0.00 -1.21 0.00 0.00 61.69 59.76 1n68 s THR 98 Cb -0.36 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.97 1n68 s THR 98 CO 0.40 0.00 0.09 0.42 -2.21 0.00 0.00 174.62 173.32 1n68 s THR 99 N -3.05 0.12 -0.17 5.08 -4.23 -1.26 -1.02 115.64 111.11 1n68 s THR 99 Ca 0.27 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1n68 s THR 99 Cb -0.01 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.57 1n68 s THR 99 CO 0.17 -0.21 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.81 1n68 s LEU 100 N -3.13 1.43 -0.10 4.79 0.20 -1.25 -3.62 118.68 117.00 1n68 s LEU 100 Ca 0.32 -0.72 -0.02 0.00 0.69 0.00 0.00 54.13 54.40 1n68 s LEU 100 Cb 0.07 -0.75 -0.03 0.00 -0.43 0.00 0.00 46.19 45.05 1n68 s LEU 100 CO 0.08 -0.24 -0.02 -2.28 -0.29 0.00 0.00 176.35 173.60 1n68 s HIS 101 N 1.74 3.10 -0.90 5.38 5.65 -0.34 -3.78 115.29 126.14 1n68 s HIS 101 Ca -0.00 0.08 -0.13 0.00 0.25 0.00 0.00 55.06 55.27 1n68 s HIS 101 Cb -0.16 -1.81 0.23 0.00 -1.18 0.00 0.00 32.58 29.66 1n68 s HIS 101 CO -0.07 0.36 0.86 -1.58 -0.65 0.00 0.00 174.74 173.65 1n68 s TRP 102 N -0.63 3.90 -0.09 3.88 0.52 -1.24 -1.92 118.94 123.35 1n68 s TRP 102 Ca 0.10 -2.19 -0.29 0.00 0.02 0.00 0.00 56.10 53.73 1n68 s TRP 102 Cb -0.12 -3.82 -0.06 0.00 -1.15 0.00 0.00 33.47 28.33 1n68 s TRP 102 CO 0.02 -0.98 1.85 -1.58 0.02 0.00 0.00 176.95 176.29 1n68 s HIS 103 N -0.23 1.62 0.00 -1.98 2.46 0.71 -2.05 115.29 115.82 1n68 s HIS 103 Ca 0.21 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.86 1n68 s HIS 103 Cb -0.10 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 1n68 s HIS 103 CO -0.09 -4.26 0.00 0.41 -2.47 0.00 0.00 174.74 168.34 1n68 n GLY 104 N 4.70 0.49 3.74 1.59 0.00 -1.26 -2.10 105.19 112.35 1n68 n GLY 104 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1n68 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n68 s LEU 105 N 0.00 4.35 -1.14 0.99 2.01 -0.87 -4.85 118.68 119.17 1n68 s LEU 105 Ca 0.00 1.07 -0.16 0.00 0.01 0.00 0.00 54.13 55.06 1n68 s LEU 105 Cb 0.00 -2.90 0.15 0.00 0.01 0.00 0.00 46.19 43.45 1n68 s LEU 105 CO 0.00 0.01 1.38 -1.61 1.01 0.00 0.00 176.35 177.14 1n68 s GLU 106 N 0.32 3.95 0.13 1.70 2.02 -1.26 -4.14 118.70 121.42 1n68 s GLU 106 Ca 0.31 -2.30 0.05 0.00 0.02 0.00 0.00 54.97 53.06 1n68 s GLU 106 Cb -0.17 -5.07 -0.04 0.00 0.10 0.00 0.00 34.13 28.95 1n68 s GLU 106 CO 0.15 -1.81 -0.12 0.14 0.02 0.00 0.00 175.26 173.64 1n68 s VAL 107 N 2.12 1.22 0.76 2.63 -7.23 -1.26 -4.74 120.40 113.90 1n68 s VAL 107 Ca 0.41 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 1n68 s VAL 107 Cb -0.03 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.36 1n68 s VAL 107 CO -0.02 -0.55 1.21 -2.84 -0.31 0.00 0.00 175.10 172.59 1n68 s PRO 108 N -3.05 1.98 0.32 4.82 0.02 -1.26 -4.80 135.00 133.03 1n68 s PRO 108 Ca 0.11 1.75 0.10 0.00 0.02 0.00 0.00 61.00 62.98 1n68 s PRO 108 Cb -0.02 -1.81 0.93 0.00 0.02 0.00 0.00 34.50 33.61 1n68 s PRO 108 CO 0.02 -1.96 1.68 0.78 -0.33 0.00 0.00 177.00 177.19 1n68 h GLY 109 N -0.50 1.83 1.62 0.52 0.00 -1.36 -1.57 103.07 103.62 1n68 h GLY 109 Ca -0.47 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 46.71 1n68 h GLY 109 CO 0.49 -0.39 0.14 0.83 0.00 0.00 0.00 176.54 177.60 1n68 h GLU 110 N 0.37 0.00 -0.22 4.80 3.07 -1.81 -1.97 114.58 118.80 1n68 h GLU 110 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1n68 h GLU 110 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1n68 h GLU 110 CO -0.58 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.36 1n68 n VAL 111 N -4.40 1.00 0.25 3.13 0.24 -0.62 -4.67 118.33 113.26 1n68 n VAL 111 Ca 0.01 -1.00 0.12 0.00 -2.04 0.00 0.00 64.34 61.44 1n68 n VAL 111 Cb 0.27 0.50 0.63 0.00 -1.47 0.00 0.00 33.84 33.77 1n68 n VAL 111 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1n68 h ASP 112 N 1.31 0.00 -1.02 -1.34 3.58 -1.07 -3.46 116.42 114.42 1n68 h ASP 112 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1n68 h ASP 112 Cb 0.65 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1n68 h ASP 112 CO 0.00 0.15 -0.24 0.61 -2.88 0.00 0.00 179.24 176.88 1n68 n GLY 113 N -0.29 0.58 0.28 -0.78 0.00 -1.25 -3.61 105.19 100.11 1n68 n GLY 113 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1n68 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n68 n GLY 114 N -1.34 -3.30 0.32 -0.02 0.00 -1.26 -3.58 105.19 96.01 1n68 n GLY 114 Ca -0.12 -1.31 0.20 0.00 0.00 0.00 0.00 46.02 44.79 1n68 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n68 h PRO 115 N 0.00 0.00 0.00 1.61 0.13 -1.91 -0.50 132.00 131.33 1n68 h PRO 115 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1n68 h PRO 115 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1n68 h PRO 115 CO 0.02 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.83 1n68 n GLN 116 N -3.31 0.16 -1.12 0.86 6.02 -1.26 -4.32 117.38 114.42 1n68 n GLN 116 Ca -0.03 0.15 -0.16 0.00 -0.01 0.00 0.00 57.00 56.96 1n68 n GLN 116 Cb 0.08 -1.70 -0.14 0.00 1.02 0.00 0.00 30.24 29.51 1n68 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n68 n GLY 117 N 1.28 3.34 3.74 1.08 0.00 -0.20 -4.96 105.19 109.47 1n68 n GLY 117 Ca 0.06 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1n68 n GLY 117 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n68 n ILE 118 N 2.06 1.27 -4.06 -0.61 2.08 -1.26 -4.44 119.36 114.41 1n68 n ILE 118 Ca 0.44 -0.32 -0.32 0.00 0.56 0.00 0.00 62.75 63.11 1n68 n ILE 118 Cb 0.82 -1.91 -0.15 0.00 -0.75 0.00 0.00 39.64 37.64 1n68 n ILE 118 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1n68 s ILE 119 N -0.29 1.98 0.64 1.39 1.01 -0.19 -5.00 121.20 120.74 1n68 s ILE 119 Ca 0.62 -1.30 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 1n68 s ILE 119 Cb -0.51 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1n68 s ILE 119 CO 0.52 0.15 1.16 -2.84 0.00 0.00 0.00 174.94 173.93 1n68 s PRO 120 N 1.23 2.77 0.17 2.79 0.02 -1.26 -3.16 135.00 137.57 1n68 s PRO 120 Ca -0.04 1.62 -0.32 0.00 0.02 0.00 0.00 61.00 62.28 1n68 s PRO 120 Cb -0.17 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.30 1n68 s PRO 120 CO -0.08 -1.31 1.76 -2.30 -0.33 0.00 0.00 177.00 174.74 1n68 n PRO 121 N -2.11 2.75 -0.99 5.54 -0.02 -1.26 -0.80 135.00 138.11 1n68 n PRO 121 Ca 0.12 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1n68 n PRO 121 Cb 0.51 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1n68 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n68 n GLY 122 N 4.05 0.65 4.03 -1.23 0.00 0.90 -5.02 105.19 108.56 1n68 n GLY 122 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1n68 n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n68 s GLY 123 N -2.00 1.74 -0.01 -0.02 0.00 0.02 -4.91 107.32 102.15 1n68 s GLY 123 Ca 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 44.72 42.61 1n68 s GLY 123 CO 0.00 -1.68 -0.02 1.25 0.00 0.00 0.00 173.10 172.65 1n68 s LYS 124 N -4.65 0.20 -0.02 2.90 2.20 -1.26 -1.22 119.74 117.89 1n68 s LYS 124 Ca 0.61 -0.06 0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1n68 s LYS 124 Cb -0.06 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.03 1n68 s LYS 124 CO 0.39 0.02 -0.12 1.03 -0.36 0.00 0.00 175.35 176.31 1n68 s ARG 125 N 0.10 1.11 -0.07 4.03 1.81 -0.10 -4.97 118.95 120.85 1n68 s ARG 125 Ca -0.01 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 53.61 1n68 s ARG 125 Cb -0.03 -1.03 -0.03 0.00 -0.45 0.00 0.00 34.95 33.41 1n68 s ARG 125 CO -0.00 0.20 -0.12 -1.12 -0.68 0.00 0.00 175.30 173.58 1n68 s SER 126 N -0.03 4.23 0.01 0.23 0.01 -1.26 -0.87 113.70 116.02 1n68 s SER 126 Ca -0.00 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1n68 s SER 126 Cb -0.07 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 1n68 s SER 126 CO 0.00 0.31 -0.14 0.68 0.41 0.00 0.00 173.24 174.51 1n68 s VAL 127 N -0.53 1.10 -0.23 3.43 -7.23 -0.56 -4.98 120.40 111.41 1n68 s VAL 127 Ca 0.07 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.43 1n68 s VAL 127 Cb -0.12 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1n68 s VAL 127 CO 0.02 0.20 0.08 -0.89 -0.31 0.00 0.00 175.10 174.20 1n68 s THR 128 N -0.51 4.61 -0.23 5.32 2.01 -1.26 -1.03 115.64 124.54 1n68 s THR 128 Ca 0.04 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 1n68 s THR 128 Cb -0.06 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1n68 s THR 128 CO 0.00 0.38 0.04 -0.76 -0.69 0.00 0.00 174.62 173.58 1n68 s LEU 129 N 1.14 3.31 -0.55 4.42 1.43 0.79 -4.94 118.68 124.29 1n68 s LEU 129 Ca 0.05 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 1n68 s LEU 129 Cb -0.14 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.30 1n68 s LEU 129 CO 0.04 -0.01 0.59 0.20 0.23 0.00 0.00 176.35 177.40 1n68 s ASN 130 N 1.44 6.19 -0.38 2.29 0.01 -1.26 -0.93 114.94 122.29 1n68 s ASN 130 Ca 0.05 -1.43 -0.29 0.00 -0.71 0.00 0.00 52.86 50.48 1n68 s ASN 130 Cb -0.15 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.27 1n68 s ASN 130 CO 0.02 -0.94 1.24 -0.69 -1.51 0.00 0.00 177.10 175.22 1n68 s VAL 131 N 2.22 4.17 -0.36 1.60 1.01 -0.76 -4.90 120.40 123.38 1n68 s VAL 131 Ca 0.09 1.26 0.14 0.00 0.00 0.00 0.00 61.98 63.47 1n68 s VAL 131 Cb -0.25 -4.34 0.39 0.00 0.00 0.00 0.00 36.38 32.18 1n68 s VAL 131 CO 0.06 -0.69 0.87 -0.90 0.00 0.00 0.00 175.10 174.44 1n68 n ASP 132 N 7.83 0.75 -4.09 3.32 5.68 -1.26 0.64 116.55 129.42 1n68 n ASP 132 Ca 0.14 -2.91 -0.09 0.00 -0.50 0.00 0.00 54.79 51.43 1n68 n ASP 132 Cb 0.48 -0.35 -0.09 0.00 -1.14 0.00 0.00 41.12 40.01 1n68 n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n68 s GLN 133 N -2.42 0.94 0.86 0.11 -2.07 -1.26 -5.01 119.66 110.82 1n68 s GLN 133 Ca 0.33 -1.34 -0.11 0.00 -1.82 0.00 0.00 55.36 52.42 1n68 s GLN 133 Cb 0.39 0.27 0.11 0.00 -1.09 0.00 0.00 33.01 32.69 1n68 s GLN 133 CO -0.03 -0.28 1.10 -2.14 -1.32 0.00 0.00 175.29 172.62 1n68 s PRO 134 N -4.01 1.51 0.25 9.60 0.02 -1.26 -4.70 135.00 136.41 1n68 s PRO 134 Ca 0.20 1.09 -0.29 0.00 0.02 0.00 0.00 61.00 62.01 1n68 s PRO 134 Cb 0.07 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.62 1n68 s PRO 134 CO -0.00 -2.14 1.04 0.00 -0.33 0.00 0.00 177.00 175.57 1n68 n ALA 135 N -3.85 -0.46 -3.63 -1.55 0.00 -1.26 -4.86 120.51 104.90 1n68 n ALA 135 Ca 0.08 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 1n68 n ALA 135 Cb 0.54 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.96 1n68 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n68 s ALA 136 N -0.78 -2.05 -0.40 0.00 0.00 -0.81 -4.03 121.76 113.70 1n68 s ALA 136 Ca 0.63 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1n68 s ALA 136 Cb -0.75 0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1n68 s ALA 136 CO 0.57 -0.90 0.24 0.99 0.00 0.00 0.00 175.76 176.67 1n68 s THR 137 N -2.64 4.60 0.18 0.00 2.01 -1.26 -0.51 115.64 118.02 1n68 s THR 137 Ca 0.12 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1n68 s THR 137 Cb 0.02 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1n68 s THR 137 CO -0.03 -0.34 0.19 0.00 -0.69 0.00 0.00 174.62 173.74 1n68 s TRP 139 N -0.61 0.50 -0.01 0.00 1.48 -0.89 -1.26 118.94 118.14 1n68 s TRP 139 Ca 0.14 -0.89 -0.05 0.00 -1.06 0.00 0.00 56.10 54.24 1n68 s TRP 139 Cb -0.01 0.26 0.00 0.00 -1.16 0.00 0.00 33.47 32.56 1n68 s TRP 139 CO 0.09 -1.17 0.11 -0.59 -4.06 0.00 0.00 176.95 171.33 1n68 s PHE 140 N -3.38 0.02 0.15 1.66 -0.71 -0.37 -0.21 117.98 115.13 1n68 s PHE 140 Ca 0.23 -0.05 -0.25 0.00 -1.04 0.00 0.00 56.93 55.82 1n68 s PHE 140 Cb -0.02 -0.04 0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1n68 s PHE 140 CO 0.13 -0.20 0.82 -3.38 -1.34 0.00 0.00 175.22 171.25 1n68 s HIS 141 N -0.94 -0.27 0.82 3.49 -3.43 -0.81 -0.47 115.29 113.67 1n68 s HIS 141 Ca -0.10 -0.01 -0.11 0.00 -0.80 0.00 0.00 55.06 54.04 1n68 s HIS 141 Cb -0.06 0.62 0.08 0.00 -1.43 0.00 0.00 32.58 31.79 1n68 s HIS 141 CO 0.01 -0.86 1.10 -1.25 -2.00 0.00 0.00 174.74 171.73 1n68 s PRO 142 N -3.48 1.90 0.00 -0.38 0.04 -1.26 -1.19 135.00 130.63 1n68 s PRO 142 Ca 0.08 1.14 0.15 0.00 0.04 0.00 0.00 61.00 62.41 1n68 s PRO 142 Cb -0.02 -1.86 0.25 0.00 0.04 0.00 0.00 34.50 32.91 1n68 s PRO 142 CO -0.02 -1.88 1.08 1.58 0.04 0.00 0.00 177.00 177.79 1n68 n HIS 143 N -3.68 0.00 -1.67 0.56 -0.00 -1.24 -4.79 115.22 104.40 1n68 n HIS 143 Ca 0.09 -0.33 -0.46 0.00 0.46 0.00 0.00 57.72 57.48 1n68 n HIS 143 Cb 0.53 -0.05 -0.04 0.00 -0.12 0.00 0.00 29.99 30.31 1n68 n HIS 143 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1n68 n GLN 144 N 0.29 2.15 -1.68 1.57 -0.06 -1.26 -3.49 117.38 114.90 1n68 n GLN 144 Ca 0.01 0.78 -0.49 0.00 -2.00 0.00 0.00 57.00 55.30 1n68 n GLN 144 Cb 0.95 -2.56 -0.05 0.00 -4.06 0.00 0.00 30.24 24.52 1n68 n GLN 144 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1n68 n HIS 145 N 4.08 2.28 -0.62 3.69 -0.00 -1.26 -1.55 115.22 121.84 1n68 n HIS 145 Ca 0.18 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 1n68 n HIS 145 Cb 0.29 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.66 1n68 n HIS 145 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1n68 n GLY 146 N 4.20 1.26 0.10 1.57 0.00 -1.26 -4.77 105.19 106.30 1n68 n GLY 146 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1n68 n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n68 n LYS 147 N -2.00 0.44 -0.20 1.61 5.02 -0.59 -4.85 118.16 117.58 1n68 n LYS 147 Ca 0.00 -0.81 -0.07 0.00 -2.02 0.00 0.00 58.31 55.40 1n68 n LYS 147 Cb 0.00 -0.61 0.03 0.00 -0.02 0.00 0.00 35.03 34.43 1n68 n LYS 147 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1n68 h THR 148 N 3.28 1.22 -0.34 -0.18 2.02 -1.73 -1.26 112.91 115.92 1n68 h THR 148 Ca 0.00 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1n68 h THR 148 Cb 1.01 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1n68 h THR 148 CO 0.00 0.26 0.14 1.23 0.37 0.00 0.00 175.52 177.52 1n68 h GLY 149 N 0.79 0.44 1.03 2.16 0.00 -1.89 -1.00 103.07 104.60 1n68 h GLY 149 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1n68 h GLY 149 CO -0.02 0.06 0.38 -0.09 0.00 0.00 0.00 176.54 176.87 1n68 h ARG 150 N 0.30 1.13 -0.14 4.80 2.43 -1.79 0.54 114.38 121.66 1n68 h ARG 150 Ca 0.15 -0.17 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1n68 h ARG 150 Cb 0.09 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1n68 h ARG 150 CO -0.13 0.87 -0.63 1.96 -1.51 0.00 0.00 179.97 180.53 1n68 h GLN 151 N 1.11 0.51 -0.44 0.20 4.20 -0.95 -0.96 115.11 118.78 1n68 h GLN 151 Ca 0.27 -0.36 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1n68 h GLN 151 Cb 0.12 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1n68 h GLN 151 CO -0.03 0.98 -0.06 0.28 -0.67 0.00 0.00 178.83 179.32 1n68 h VAL 152 N 0.37 1.27 -0.18 -0.54 2.07 -1.07 -2.93 116.25 115.25 1n68 h VAL 152 Ca -0.01 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1n68 h VAL 152 Cb 1.19 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1n68 h VAL 152 CO 0.12 0.39 0.11 0.00 0.02 0.00 0.00 177.57 178.20 1n68 h ALA 153 N 0.88 1.86 0.00 1.67 0.00 -0.50 -1.42 119.26 121.74 1n68 h ALA 153 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n68 h ALA 153 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n68 h ALA 153 CO 0.04 0.13 0.00 0.52 0.00 0.00 0.00 179.25 179.93 1n68 h MET 154 N 0.24 0.00 0.00 0.00 2.07 -1.09 -3.46 114.93 112.69 1n68 h MET 154 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1n68 h MET 154 Cb -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1n68 h MET 154 CO -0.01 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.38 1n68 n GLY 155 N 0.38 -0.03 3.64 8.32 0.00 -0.54 -0.53 105.19 116.44 1n68 n GLY 155 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1n68 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n68 s LEU 156 N 0.00 3.96 -0.20 0.99 1.43 -1.11 -0.53 118.68 123.21 1n68 s LEU 156 Ca 0.00 1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 1n68 s LEU 156 Cb 0.00 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.79 1n68 s LEU 156 CO 0.00 -0.85 0.96 0.00 0.23 0.00 0.00 176.35 176.68 1n68 s ALA 157 N 3.60 -1.92 0.26 4.21 0.00 -1.26 -4.48 121.76 122.18 1n68 s ALA 157 Ca 0.45 1.68 0.03 0.00 0.00 0.00 0.00 51.96 54.13 1n68 s ALA 157 Cb -0.13 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1n68 s ALA 157 CO 0.14 -0.29 0.20 0.20 0.00 0.00 0.00 175.76 176.01 1n68 s GLY 158 N -0.56 1.87 0.27 0.00 0.00 0.38 -1.69 107.32 107.59 1n68 s GLY 158 Ca -0.01 -1.87 0.10 0.00 0.00 0.00 0.00 44.72 42.95 1n68 s GLY 158 CO -0.00 -1.44 -0.07 1.08 0.00 0.00 0.00 173.10 172.66 1n68 s LEU 159 N -3.27 2.97 -0.11 0.66 1.43 -0.51 -1.24 118.68 118.61 1n68 s LEU 159 Ca 0.40 -0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1n68 s LEU 159 Cb 0.05 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1n68 s LEU 159 CO 0.19 0.00 -0.08 -0.69 0.23 0.00 0.00 176.35 176.00 1n68 s VAL 160 N -2.40 1.04 -0.38 -1.59 1.01 -0.39 -0.30 120.40 117.39 1n68 s VAL 160 Ca 0.31 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1n68 s VAL 160 Cb -0.06 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1n68 s VAL 160 CO 0.18 0.37 0.21 -0.69 0.00 0.00 0.00 175.10 175.17 1n68 s VAL 161 N 1.63 4.41 -0.21 2.92 1.01 0.89 -0.71 120.40 130.34 1n68 s VAL 161 Ca 0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1n68 s VAL 161 Cb -0.13 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1n68 s VAL 161 CO -0.07 -0.30 0.29 -0.63 0.00 0.00 0.00 175.10 174.39 1n68 s ILE 162 N 1.51 5.28 0.14 2.22 1.01 0.33 -0.84 121.20 130.84 1n68 s ILE 162 Ca 0.02 0.47 0.05 0.00 0.00 0.00 0.00 60.65 61.19 1n68 s ILE 162 Cb -0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1n68 s ILE 162 CO 0.05 0.30 0.08 -1.61 0.00 0.00 0.00 174.94 173.76 1n68 s GLU 163 N 1.12 2.75 0.26 2.79 0.41 0.27 -1.92 118.70 124.39 1n68 s GLU 163 Ca 0.14 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 53.81 1n68 s GLU 163 Cb -0.14 -2.59 -0.02 0.00 -1.78 0.00 0.00 34.13 29.59 1n68 s GLU 163 CO 0.06 0.50 0.28 0.16 -0.49 0.00 0.00 175.26 175.77 1n68 s ASP 164 N -2.82 0.57 0.38 -0.19 1.47 -1.26 -1.03 116.67 113.81 1n68 s ASP 164 Ca 0.29 -1.41 0.25 0.00 1.18 0.00 0.00 52.55 52.86 1n68 s ASP 164 Cb -0.11 0.50 0.63 0.00 -0.34 0.00 0.00 42.92 43.60 1n68 s ASP 164 CO 0.21 -1.02 1.71 -2.24 0.68 0.00 0.00 175.17 174.51 1n68 h ASP 165 N 2.36 0.00 -0.10 2.11 2.03 -2.01 -3.17 116.42 117.65 1n68 h ASP 165 Ca -0.31 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.97 1n68 h ASP 165 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1n68 h ASP 165 CO 0.44 0.00 -0.04 -0.33 -1.03 0.00 0.00 179.24 178.28 1n68 h GLU 166 N 0.00 0.20 -0.29 4.15 3.07 -2.00 -3.20 114.58 116.50 1n68 h GLU 166 Ca 0.00 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 1n68 h GLU 166 Cb 0.84 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1n68 h GLU 166 CO 0.00 0.54 -0.19 0.97 -1.40 0.00 0.00 179.01 178.93 1n68 h ILE 167 N -0.14 1.25 0.00 3.13 2.10 -1.92 -2.69 117.51 119.24 1n68 h ILE 167 Ca 0.02 -1.17 -0.03 0.00 1.08 0.00 0.00 64.86 64.77 1n68 h ILE 167 Cb 0.47 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 37.43 1n68 h ILE 167 CO 0.01 0.38 -0.12 -0.07 -1.08 0.00 0.00 178.15 177.27 1n68 h LEU 168 N 0.48 0.00 -0.78 2.19 3.38 -1.55 0.28 115.31 119.31 1n68 h LEU 168 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n68 h LEU 168 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1n68 h LEU 168 CO 0.04 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.99 1n68 n LYS 169 N -3.59 0.17 0.06 1.13 5.02 -1.01 -3.21 118.16 116.73 1n68 n LYS 169 Ca -0.02 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1n68 n LYS 169 Cb 0.26 -1.87 0.45 0.00 -0.02 0.00 0.00 35.03 33.85 1n68 n LYS 169 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n68 n LEU 170 N -2.20 0.52 -3.37 -0.35 4.77 0.09 -4.93 117.00 111.53 1n68 n LEU 170 Ca 0.02 0.49 -0.24 0.00 -0.03 0.00 0.00 56.01 56.24 1n68 n LEU 170 Cb 0.19 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1n68 n LEU 170 CO 0.17 -0.10 0.08 0.23 -1.33 0.00 0.00 177.39 176.45 1n68 n MET 171 N -1.96 -5.63 -0.94 3.23 2.81 -1.20 -4.73 117.12 108.70 1n68 n MET 171 Ca 0.06 0.78 -0.31 0.00 -1.81 0.00 0.00 57.70 56.42 1n68 n MET 171 Cb 0.40 -5.68 0.14 0.00 -0.71 0.00 0.00 33.22 27.37 1n68 n MET 171 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1n68 s LEU 172 N -6.93 2.68 0.19 4.03 1.43 -1.26 -0.51 118.68 118.30 1n68 s LEU 172 Ca 0.46 1.93 -0.33 0.00 -1.03 0.00 0.00 54.13 55.15 1n68 s LEU 172 Cb -0.21 -4.38 -0.15 0.00 0.03 0.00 0.00 46.19 41.48 1n68 s LEU 172 CO 0.56 -2.77 1.36 -2.65 0.23 0.00 0.00 176.35 173.08 1n68 n PRO 173 N -4.00 1.71 -0.25 1.29 -0.02 -1.26 -4.60 135.00 127.87 1n68 n PRO 173 Ca 0.10 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1n68 n PRO 173 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1n68 n PRO 173 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1n68 n LYS 174 N 2.27 0.00 -2.73 -0.52 2.85 -1.26 -4.73 118.16 114.03 1n68 n LYS 174 Ca 0.14 -0.39 -0.42 0.00 -1.05 0.00 0.00 58.31 56.59 1n68 n LYS 174 Cb 0.28 -0.26 -0.03 0.00 -0.65 0.00 0.00 35.03 34.36 1n68 n LYS 174 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1n68 s GLN 175 N 0.00 3.20 0.10 -1.58 -1.52 -1.26 -4.88 119.66 113.73 1n68 s GLN 175 Ca 0.00 -0.69 -0.34 0.00 -1.95 0.00 0.00 55.36 52.37 1n68 s GLN 175 Cb 0.00 -4.33 -0.14 0.00 -0.22 0.00 0.00 33.01 28.32 1n68 s GLN 175 CO 0.00 -1.97 1.60 1.87 -0.25 0.00 0.00 175.29 176.54 1n68 n TRP 176 N 8.34 2.19 -0.61 0.91 -0.00 -1.26 -0.81 117.44 126.19 1n68 n TRP 176 Ca 0.03 0.27 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1n68 n TRP 176 Cb 0.47 -2.54 0.00 0.00 -0.00 0.00 0.00 31.31 29.25 1n68 n TRP 176 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1n68 n GLY 177 N 3.48 1.33 0.99 5.87 0.00 -0.53 -4.85 105.19 111.47 1n68 n GLY 177 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n68 n GLY 177 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n68 n ILE 178 N -2.00 0.06 0.40 -0.61 5.41 0.01 -4.90 119.36 117.74 1n68 n ILE 178 Ca 0.00 0.03 0.06 0.00 1.00 0.00 0.00 62.75 63.84 1n68 n ILE 178 Cb 0.00 -1.04 0.07 0.00 -0.71 0.00 0.00 39.64 37.96 1n68 n ILE 178 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1n68 n ASP 179 N -2.55 2.19 -3.73 4.38 5.68 -0.88 -4.58 116.55 117.05 1n68 n ASP 179 Ca -0.00 -1.59 -0.29 0.00 -0.50 0.00 0.00 54.79 52.41 1n68 n ASP 179 Cb 0.00 -0.04 -0.16 0.00 -1.14 0.00 0.00 41.12 39.78 1n68 n ASP 179 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1n68 s ASP 180 N -1.02 3.54 0.02 -1.12 2.15 -0.93 -0.53 116.67 118.78 1n68 s ASP 180 Ca 0.16 -1.26 0.02 0.00 0.43 0.00 0.00 52.55 51.90 1n68 s ASP 180 Cb 0.11 -0.74 -0.01 0.00 -0.30 0.00 0.00 42.92 41.98 1n68 s ASP 180 CO 0.16 -0.36 -0.08 0.68 -0.17 0.00 0.00 175.17 175.40 1n68 s VAL 181 N 1.74 0.58 0.41 1.11 -7.23 -0.15 -1.46 120.40 115.40 1n68 s VAL 181 Ca 0.04 -0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 59.32 1n68 s VAL 181 Cb -0.17 -0.55 -0.10 0.00 0.56 0.00 0.00 36.38 36.11 1n68 s VAL 181 CO -0.18 -0.09 0.96 -2.16 -0.31 0.00 0.00 175.10 173.32 1n68 s PRO 182 N -0.83 4.27 -0.37 4.82 0.04 -1.26 -1.58 135.00 140.09 1n68 s PRO 182 Ca -0.03 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1n68 s PRO 182 Cb -0.06 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 32.28 1n68 s PRO 182 CO 0.00 0.00 0.19 0.08 0.04 0.00 0.00 177.00 177.31 1n68 s VAL 183 N -2.01 0.69 -0.44 -0.36 1.01 0.58 -4.87 120.40 115.00 1n68 s VAL 183 Ca 0.60 -1.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 1n68 s VAL 183 Cb -0.12 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1n68 s VAL 183 CO 0.17 -0.87 0.52 -0.63 0.00 0.00 0.00 175.10 174.29 1n68 s ILE 184 N 1.05 5.00 -0.19 2.22 1.01 -1.26 -1.25 121.20 127.77 1n68 s ILE 184 Ca 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1n68 s ILE 184 Cb -0.22 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1n68 s ILE 184 CO -0.08 -0.54 0.01 -0.69 0.00 0.00 0.00 174.94 173.63 1n68 s VAL 185 N 2.36 4.15 -0.11 2.92 1.01 -0.49 -0.57 120.40 129.67 1n68 s VAL 185 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 1n68 s VAL 185 Cb -0.17 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1n68 s VAL 185 CO 0.14 0.44 0.28 -1.10 0.00 0.00 0.00 175.10 174.87 1n68 s GLN 186 N 0.74 0.32 0.13 2.72 -0.21 -0.48 -0.75 119.66 122.13 1n68 s GLN 186 Ca 0.01 0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.83 1n68 s GLN 186 Cb -0.14 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.96 1n68 s GLN 186 CO 0.02 -0.06 0.23 0.16 -2.12 0.00 0.00 175.29 173.52 1n68 s ASP 187 N 0.31 6.14 0.09 5.90 -4.77 -1.26 0.76 116.67 123.84 1n68 s ASP 187 Ca -0.01 0.13 -0.02 0.00 -3.30 0.00 0.00 52.55 49.34 1n68 s ASP 187 Cb -0.03 -1.81 -0.03 0.00 -1.09 0.00 0.00 42.92 39.96 1n68 s ASP 187 CO -0.01 0.09 0.04 -0.54 0.70 0.00 0.00 175.17 175.45 1n68 s LYS 188 N -2.98 0.79 0.11 2.11 1.02 -0.20 -4.73 119.74 115.86 1n68 s LYS 188 Ca 0.34 -1.28 0.06 0.00 0.02 0.00 0.00 55.97 55.10 1n68 s LYS 188 Cb -0.11 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1n68 s LYS 188 CO 0.27 -0.20 -0.14 -1.59 -0.92 0.00 0.00 175.35 172.76 1n68 s LYS 189 N -3.97 0.98 0.07 1.68 -2.85 -1.26 -1.87 119.74 112.52 1n68 s LYS 189 Ca 0.14 -1.18 0.07 0.00 -1.00 0.00 0.00 55.97 54.00 1n68 s LYS 189 Cb 0.07 -0.90 -0.03 0.00 -2.06 0.00 0.00 37.83 34.91 1n68 s LYS 189 CO -0.05 0.18 -0.18 -0.06 0.10 0.00 0.00 175.35 175.34 1n68 s PHE 190 N -1.93 1.57 0.83 1.78 0.08 -1.26 -0.99 117.98 118.06 1n68 s PHE 190 Ca 0.07 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.60 1n68 s PHE 190 Cb -0.06 -0.90 0.09 0.00 -0.57 0.00 0.00 43.02 41.58 1n68 s PHE 190 CO 0.03 0.11 1.17 -1.12 -0.10 0.00 0.00 175.22 175.31 1n68 s SER 191 N -1.52 4.32 0.34 1.36 0.01 0.56 -4.79 113.70 113.97 1n68 s SER 191 Ca 0.04 0.84 0.06 0.00 1.31 0.00 0.00 55.95 58.20 1n68 s SER 191 Cb -0.09 -1.36 0.73 0.00 0.21 0.00 0.00 66.02 65.51 1n68 s SER 191 CO 0.03 -2.03 1.91 0.00 0.41 0.00 0.00 173.24 173.55 1n68 h ALA 192 N -1.14 1.72 0.00 1.44 0.00 -2.01 -1.16 119.26 118.11 1n68 h ALA 192 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1n68 h ALA 192 Cb 1.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1n68 h ALA 192 CO 0.65 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 1n68 n ASP 193 N -4.52 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 111.65 1n68 n ASP 193 Ca 0.14 -0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1n68 n ASP 193 Cb 0.34 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1n68 n ASP 193 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n68 n GLY 194 N 0.38 1.22 3.81 6.12 0.00 -0.44 -4.89 105.19 111.40 1n68 n GLY 194 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1n68 n GLY 194 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n68 s GLN 195 N -0.99 3.96 0.18 1.61 -1.52 -1.26 -4.32 119.66 117.32 1n68 s GLN 195 Ca 0.00 1.22 -0.33 0.00 -1.95 0.00 0.00 55.36 54.30 1n68 s GLN 195 Cb 0.00 -2.13 -0.12 0.00 -0.22 0.00 0.00 33.01 30.54 1n68 s GLN 195 CO 0.00 -0.27 1.69 -0.89 -0.25 0.00 0.00 175.29 175.57 1n68 n ILE 196 N -0.95 0.06 -3.49 1.08 5.41 -1.26 -0.32 119.36 119.89 1n68 n ILE 196 Ca 0.08 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.41 1n68 n ILE 196 Cb 0.53 -1.85 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 1n68 n ILE 196 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1n68 s ASP 197 N 1.33 6.69 -0.10 4.38 2.15 -0.16 -4.76 116.67 126.20 1n68 s ASP 197 Ca 0.77 -3.68 -0.10 0.00 0.43 0.00 0.00 52.55 49.98 1n68 s ASP 197 Cb -0.56 -2.06 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 1n68 s ASP 197 CO 0.35 -0.23 0.22 -0.47 -0.17 0.00 0.00 175.17 174.87 1n68 s TYR 198 N -1.33 3.61 -0.16 -5.34 5.04 -1.26 -4.77 117.35 113.13 1n68 s TYR 198 Ca 0.29 0.64 -0.12 0.00 -2.44 0.00 0.00 57.07 55.44 1n68 s TYR 198 Cb -0.09 -2.08 0.05 0.00 0.35 0.00 0.00 41.96 40.20 1n68 s TYR 198 CO -0.10 0.64 0.42 1.14 -1.34 0.00 0.00 175.55 176.31 1n68 s GLN 199 N -0.82 0.45 -0.51 4.97 0.00 -1.26 -5.10 119.66 117.39 1n68 s GLN 199 Ca 0.17 0.68 -0.14 0.00 -0.00 0.00 0.00 55.36 56.07 1n68 s GLN 199 Cb -0.13 0.12 0.12 0.00 0.00 0.00 0.00 33.01 33.12 1n68 s GLN 199 CO 0.06 -0.10 0.44 -1.17 0.00 0.00 0.00 175.29 174.52 1n68 s LEU 200 N 0.76 5.96 0.36 2.60 2.96 -1.26 -4.77 118.68 125.29 1n68 s LEU 200 Ca -0.04 -1.76 0.06 0.00 -0.22 0.00 0.00 54.13 52.17 1n68 s LEU 200 Cb -0.05 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1n68 s LEU 200 CO -0.06 -0.78 0.24 1.51 -1.32 0.00 0.00 176.35 175.94 1n68 s ASP 201 N 3.19 2.05 0.40 3.68 1.47 -1.26 -4.96 116.67 121.24 1n68 s ASP 201 Ca 0.04 -1.75 0.08 0.00 1.18 0.00 0.00 52.55 52.10 1n68 s ASP 201 Cb -0.28 0.56 0.85 0.00 -0.34 0.00 0.00 42.92 43.72 1n68 s ASP 201 CO 0.02 -1.04 2.02 1.62 0.68 0.00 0.00 175.17 178.48 1n68 h VAL 202 N 2.01 1.06 -0.03 2.11 3.04 -1.98 0.14 116.25 122.61 1n68 h VAL 202 Ca -0.28 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.19 1n68 h VAL 202 Cb 1.25 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1n68 h VAL 202 CO 0.42 0.11 -0.06 -0.03 -1.01 0.00 0.00 177.57 177.00 1n68 h MET 203 N 0.59 0.09 0.00 4.17 1.85 -1.88 -2.71 114.93 117.04 1n68 h MET 203 Ca 0.21 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 1n68 h MET 203 Cb 0.10 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1n68 h MET 203 CO -0.05 0.63 -0.33 1.79 -0.40 0.00 0.00 176.91 178.54 1n68 h THR 204 N -0.43 0.78 0.00 -0.77 1.35 -1.68 -0.26 112.91 111.90 1n68 h THR 204 Ca 0.00 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.41 1n68 h THR 204 Cb 0.62 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1n68 h THR 204 CO 0.01 0.33 -0.14 0.00 -0.25 0.00 0.00 175.52 175.47 1n68 h ALA 205 N 1.67 1.14 0.00 6.62 0.00 -0.73 0.49 119.26 128.45 1n68 h ALA 205 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1n68 h ALA 205 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1n68 h ALA 205 CO 0.04 0.18 -0.90 0.00 0.00 0.00 0.00 179.25 178.57 1n68 h ALA 206 N 1.86 0.19 -0.00 0.00 0.00 -0.97 -3.41 119.26 116.92 1n68 h ALA 206 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1n68 h ALA 206 Cb 0.49 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n68 h ALA 206 CO 0.02 0.50 -0.03 1.33 0.00 0.00 0.00 179.25 181.07 1n68 n VAL 207 N -4.47 0.00 0.00 0.00 0.24 -0.20 -5.00 118.33 108.90 1n68 n VAL 207 Ca -0.25 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1n68 n VAL 207 Cb 0.63 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1n68 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n68 n GLY 208 N 0.56 2.32 3.64 7.63 0.00 0.17 -4.95 105.19 114.56 1n68 n GLY 208 Ca 0.01 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 1n68 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1n68 s TRP 209 N -2.90 3.32 0.09 1.61 -0.00 -1.26 -4.44 118.94 115.36 1n68 s TRP 209 Ca 0.00 0.65 -0.01 0.00 -0.00 0.00 0.00 56.10 56.75 1n68 s TRP 209 Cb 0.00 -2.65 -0.04 0.00 -0.00 0.00 0.00 33.47 30.78 1n68 s TRP 209 CO 0.00 -0.17 -0.01 -0.59 -0.00 0.00 0.00 176.95 176.19 1n68 s PHE 210 N 1.89 0.71 0.15 5.86 -0.12 -1.26 -3.92 117.98 121.29 1n68 s PHE 210 Ca 0.21 -1.10 0.02 0.00 -0.05 0.00 0.00 56.93 56.01 1n68 s PHE 210 Cb -0.15 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 1n68 s PHE 210 CO 0.09 -0.39 0.08 0.41 -0.05 0.00 0.00 175.22 175.37 1n68 n GLY 211 N 0.01 3.69 0.27 1.99 0.00 -1.26 -4.68 105.19 105.19 1n68 n GLY 211 Ca -0.11 -1.90 0.03 0.00 0.00 0.00 0.00 46.02 44.04 1n68 n GLY 211 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n68 n ASP 212 N -2.08 1.64 -4.24 1.61 5.68 -1.04 -4.83 116.55 113.29 1n68 n ASP 212 Ca -0.00 -1.35 -0.33 0.00 -0.50 0.00 0.00 54.79 52.62 1n68 n ASP 212 Cb 0.25 -0.01 -0.16 0.00 -1.14 0.00 0.00 41.12 40.05 1n68 n ASP 212 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1n68 s THR 213 N -0.58 2.35 -0.18 2.12 2.01 -0.78 -4.80 115.64 115.77 1n68 s THR 213 Ca 0.08 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 1n68 s THR 213 Cb 0.06 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1n68 s THR 213 CO 0.08 0.54 0.07 -0.22 -0.69 0.00 0.00 174.62 174.40 1n68 s LEU 214 N 0.55 3.83 -0.01 4.42 2.96 -1.26 -1.03 118.68 128.14 1n68 s LEU 214 Ca -0.12 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1n68 s LEU 214 Cb -0.17 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1n68 s LEU 214 CO 0.04 0.17 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.35 1n68 s LEU 215 N 0.39 2.82 -0.28 -0.68 1.43 0.23 -4.36 118.68 118.23 1n68 s LEU 215 Ca 0.03 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1n68 s LEU 215 Cb -0.12 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1n68 s LEU 215 CO 0.00 0.31 -0.00 -0.89 0.23 0.00 0.00 176.35 176.00 1n68 s THR 216 N -0.85 1.65 -1.38 5.49 2.01 0.42 -1.38 115.64 121.59 1n68 s THR 216 Ca 0.14 -1.58 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 1n68 s THR 216 Cb -0.11 -2.04 0.08 0.00 0.01 0.00 0.00 72.50 70.44 1n68 s THR 216 CO 0.03 -0.34 0.59 0.59 -0.69 0.00 0.00 174.62 174.81 1n68 n ASN 217 N 4.58 -4.02 0.00 3.53 3.02 0.26 -1.74 115.26 120.89 1n68 n ASN 217 Ca -0.06 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1n68 n ASN 217 Cb 0.43 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1n68 n ASN 217 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n68 n GLY 218 N -1.29 1.06 3.60 7.41 0.00 -1.26 -4.60 105.19 110.12 1n68 n GLY 218 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1n68 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n68 s ALA 219 N -3.23 3.04 -0.27 4.61 0.00 -0.71 -4.98 121.76 120.21 1n68 s ALA 219 Ca 0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 1n68 s ALA 219 Cb 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 1n68 s ALA 219 CO 0.00 0.61 0.80 0.42 0.00 0.00 0.00 175.76 177.59 1n68 s ILE 220 N -1.36 4.82 -1.02 0.00 1.01 -1.26 -0.44 121.20 122.95 1n68 s ILE 220 Ca 0.23 1.39 -0.17 0.00 0.00 0.00 0.00 60.65 62.10 1n68 s ILE 220 Cb -0.11 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1n68 s ILE 220 CO 0.15 -0.14 0.66 0.00 0.00 0.00 0.00 174.94 175.61 1n68 n TYR 221 N 6.08 -1.78 -1.81 3.97 9.36 -1.26 -4.75 117.16 126.97 1n68 n TYR 221 Ca 0.05 0.48 -0.29 0.00 3.32 0.00 0.00 57.90 61.45 1n68 n TYR 221 Cb 0.48 -2.87 0.13 0.00 -0.63 0.00 0.00 39.34 36.44 1n68 n TYR 221 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1n68 s PRO 222 N -6.06 1.39 0.09 2.98 0.04 -1.26 -4.57 135.00 127.61 1n68 s PRO 222 Ca 0.26 0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.38 1n68 s PRO 222 Cb -0.13 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1n68 s PRO 222 CO 0.92 -1.97 -0.10 1.14 0.04 0.00 0.00 177.00 177.03 1n68 s GLN 223 N -5.59 2.16 -0.09 4.56 -2.07 -0.11 -0.86 119.66 117.66 1n68 s GLN 223 Ca 0.65 -1.00 -0.00 0.00 -1.82 0.00 0.00 55.36 53.20 1n68 s GLN 223 Cb -0.10 -2.32 0.02 0.00 -1.09 0.00 0.00 33.01 29.53 1n68 s GLN 223 CO 0.51 0.52 -0.06 -1.58 -1.32 0.00 0.00 175.29 173.35 1n68 s HIS 224 N -1.19 1.23 -0.13 9.60 2.46 0.87 -0.19 115.29 127.94 1n68 s HIS 224 Ca 0.21 -0.54 -0.27 0.00 0.47 0.00 0.00 55.06 54.93 1n68 s HIS 224 Cb -0.11 -1.06 -0.01 0.00 -0.13 0.00 0.00 32.58 31.26 1n68 s HIS 224 CO 0.13 -0.41 0.90 0.00 -2.47 0.00 0.00 174.74 172.89 1n68 s ALA 225 N 1.57 3.45 -0.02 1.58 0.00 -1.26 -0.65 121.76 126.43 1n68 s ALA 225 Ca 0.01 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1n68 s ALA 225 Cb -0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1n68 s ALA 225 CO -0.05 -0.59 -0.13 0.00 0.00 0.00 0.00 175.76 174.99 1n68 s ALA 226 N 2.00 1.11 0.74 0.00 0.00 -0.84 -4.87 121.76 119.89 1n68 s ALA 226 Ca 0.43 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 1n68 s ALA 226 Cb -0.17 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1n68 s ALA 226 CO 0.15 0.24 1.13 -1.25 0.00 0.00 0.00 175.76 176.03 1n68 s PRO 227 N -0.11 2.29 0.12 0.00 0.04 -1.26 -0.47 135.00 135.60 1n68 s PRO 227 Ca 0.01 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 1n68 s PRO 227 Cb -0.07 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1n68 s PRO 227 CO 0.00 -1.65 1.86 0.50 0.04 0.00 0.00 177.00 177.75 1n68 s ARG 228 N -4.33 4.13 0.00 4.56 3.52 0.05 -4.61 118.95 122.28 1n68 s ARG 228 Ca 0.67 2.62 0.00 0.00 -0.13 0.00 0.00 55.73 58.89 1n68 s ARG 228 Cb -0.22 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1n68 s ARG 228 CO 0.48 -0.86 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1n68 n GLY 229 N 4.28 0.43 3.76 8.12 0.00 -0.64 -0.07 105.19 121.07 1n68 n GLY 229 Ca 0.18 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1n68 n GLY 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n68 s TRP 230 N -2.18 3.73 -0.16 1.61 0.52 -1.26 -0.57 118.94 120.64 1n68 s TRP 230 Ca 0.00 1.39 -0.01 0.00 0.02 0.00 0.00 56.10 57.50 1n68 s TRP 230 Cb 0.00 -2.74 -0.01 0.00 -1.15 0.00 0.00 33.47 29.57 1n68 s TRP 230 CO 0.00 0.33 -0.10 -1.17 0.02 0.00 0.00 176.95 176.02 1n68 s LEU 231 N -0.21 2.75 -0.26 2.99 2.96 -0.24 -4.76 118.68 121.91 1n68 s LEU 231 Ca 0.36 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 1n68 s LEU 231 Cb -0.20 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1n68 s LEU 231 CO 0.21 0.09 0.17 -0.60 -1.32 0.00 0.00 176.35 174.91 1n68 s ARG 232 N 0.79 4.02 -0.22 1.98 3.52 0.31 -1.05 118.95 128.30 1n68 s ARG 232 Ca -0.04 -0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1n68 s ARG 232 Cb -0.15 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 1n68 s ARG 232 CO 0.01 -0.04 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.89 1n68 s LEU 233 N 1.36 2.83 -0.72 -0.88 1.43 -0.15 -0.97 118.68 121.59 1n68 s LEU 233 Ca 0.07 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 1n68 s LEU 233 Cb -0.15 -1.71 0.11 0.00 0.03 0.00 0.00 46.19 44.47 1n68 s LEU 233 CO 0.07 -0.02 0.88 -0.13 0.23 0.00 0.00 176.35 177.38 1n68 s ARG 234 N 1.46 3.25 -0.07 1.70 0.52 -0.62 -1.46 118.95 123.73 1n68 s ARG 234 Ca 0.06 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.60 1n68 s ARG 234 Cb -0.14 -4.44 -0.03 0.00 0.52 0.00 0.00 34.95 30.85 1n68 s ARG 234 CO -0.04 -1.64 0.73 -0.51 0.02 0.00 0.00 175.30 173.86 1n68 s LEU 235 N 2.77 4.31 -0.11 2.53 1.43 0.30 -0.31 118.68 129.60 1n68 s LEU 235 Ca 0.20 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1n68 s LEU 235 Cb -0.16 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 42.94 1n68 s LEU 235 CO 0.02 -0.16 -0.15 -0.22 0.23 0.00 0.00 176.35 176.07 1n68 s LEU 236 N 0.96 1.73 -0.65 1.79 2.96 -0.38 -1.63 118.68 123.45 1n68 s LEU 236 Ca 0.39 -0.43 -0.25 0.00 -0.22 0.00 0.00 54.13 53.61 1n68 s LEU 236 Cb -0.18 -1.09 0.04 0.00 0.50 0.00 0.00 46.19 45.46 1n68 s LEU 236 CO 0.18 0.02 1.10 0.21 -1.32 0.00 0.00 176.35 176.54 1n68 s ASN 237 N 0.98 6.25 -0.17 3.68 3.84 -0.95 -1.39 114.94 127.16 1n68 s ASN 237 Ca -0.07 -0.50 0.16 0.00 0.21 0.00 0.00 52.86 52.66 1n68 s ASN 237 Cb -0.15 -2.49 0.75 0.00 -0.55 0.00 0.00 41.25 38.80 1n68 s ASN 237 CO -0.01 -1.54 1.66 0.61 -2.79 0.00 0.00 177.10 175.03 1n68 n GLY 238 N 5.26 2.98 3.81 1.21 0.00 0.07 -0.81 105.19 117.71 1n68 n GLY 238 Ca 0.02 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1n68 n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n68 h ASN 240 N 0.88 0.86 0.00 0.00 4.21 -1.88 -3.42 115.58 116.23 1n68 h ASN 240 Ca -0.48 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 56.76 1n68 h ASN 240 Cb 1.21 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 1n68 h ASN 240 CO 0.59 0.92 0.00 0.00 -1.29 0.00 0.00 177.43 177.65 1n68 n ALA 241 N -2.43 0.00 -2.63 -0.83 0.00 -1.25 -1.11 120.51 112.26 1n68 n ALA 241 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 1n68 n ALA 241 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 1n68 n ALA 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n68 s ARG 242 N 0.00 4.12 0.51 0.00 3.52 -1.26 -4.96 118.95 120.88 1n68 s ARG 242 Ca 0.00 0.46 -0.18 0.00 -0.13 0.00 0.00 55.73 55.88 1n68 s ARG 242 Cb 0.00 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.69 1n68 s ARG 242 CO 0.00 -0.33 1.00 -1.54 -0.81 0.00 0.00 175.30 173.62 1n68 s SER 243 N 1.41 6.49 0.34 -2.12 1.04 -1.26 -4.57 113.70 115.02 1n68 s SER 243 Ca 0.24 1.69 0.05 0.00 0.48 0.00 0.00 55.95 58.41 1n68 s SER 243 Cb -0.16 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.37 1n68 s SER 243 CO 0.09 -0.68 0.04 -0.76 0.98 0.00 0.00 173.24 172.92 1n68 s LEU 244 N -3.88 2.33 -0.36 2.42 1.43 -0.73 -4.86 118.68 115.02 1n68 s LEU 244 Ca 0.62 -1.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1n68 s LEU 244 Cb -0.12 -0.50 0.17 0.00 0.03 0.00 0.00 46.19 45.78 1n68 s LEU 244 CO 0.27 -0.56 0.50 0.21 0.23 0.00 0.00 176.35 177.00 1n68 s ASN 245 N -3.53 -0.34 0.36 2.29 2.47 -1.26 -0.91 114.94 114.02 1n68 s ASN 245 Ca 0.36 -0.83 -0.25 0.00 0.42 0.00 0.00 52.86 52.56 1n68 s ASN 245 Cb 0.09 1.37 -0.10 0.00 -1.45 0.00 0.00 41.25 41.17 1n68 s ASN 245 CO 0.16 -0.25 0.99 -0.36 -3.72 0.00 0.00 177.10 173.92 1n68 s PHE 246 N 1.98 3.50 0.34 0.43 0.08 -0.23 -0.52 117.98 123.56 1n68 s PHE 246 Ca 0.14 1.72 -0.16 0.00 0.12 0.00 0.00 56.93 58.75 1n68 s PHE 246 Cb -0.10 -3.01 0.04 0.00 -0.57 0.00 0.00 43.02 39.38 1n68 s PHE 246 CO -0.13 -0.16 0.72 0.00 -0.10 0.00 0.00 175.22 175.55 1n68 s ALA 247 N -1.65 -0.68 0.10 5.36 0.00 -0.13 -0.59 121.76 124.17 1n68 s ALA 247 Ca 0.53 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.84 1n68 s ALA 247 Cb -0.20 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 1n68 s ALA 247 CO 0.25 -0.97 -0.08 0.95 0.00 0.00 0.00 175.76 175.91 1n68 s THR 248 N -2.96 3.53 0.43 0.00 -4.23 -1.26 -0.22 115.64 110.93 1n68 s THR 248 Ca 0.16 -1.19 0.18 0.00 -1.18 0.00 0.00 61.69 59.67 1n68 s THR 248 Cb -0.05 -2.66 0.21 0.00 1.34 0.00 0.00 72.50 71.35 1n68 s THR 248 CO 0.11 0.12 2.00 0.77 -0.54 0.00 0.00 174.62 177.08 1n68 h SER 249 N 3.60 0.00 -0.28 3.99 4.64 -1.45 -2.13 113.55 121.91 1n68 h SER 249 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1n68 h SER 249 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1n68 h SER 249 CO 0.54 0.19 0.00 -0.90 -0.87 0.00 0.00 176.83 175.79 1n68 n ASP 250 N -4.07 3.83 -1.90 4.97 5.68 -1.26 -4.96 116.55 118.83 1n68 n ASP 250 Ca -0.02 -3.08 -0.21 0.00 -0.50 0.00 0.00 54.79 50.98 1n68 n ASP 250 Cb 0.26 -0.56 -0.06 0.00 -1.14 0.00 0.00 41.12 39.63 1n68 n ASP 250 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1n68 n ASN 251 N -0.54 -5.68 -4.76 -1.12 3.02 -0.80 -4.98 115.26 100.40 1n68 n ASN 251 Ca 0.23 0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.72 1n68 n ASN 251 Cb 0.92 -4.89 0.01 0.00 -0.61 0.00 0.00 39.78 35.22 1n68 n ASN 251 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n68 s ARG 252 N -4.26 3.40 0.70 3.52 1.70 -1.26 -4.96 118.95 117.78 1n68 s ARG 252 Ca 0.00 1.87 -0.11 0.00 -0.47 0.00 0.00 55.73 57.02 1n68 s ARG 252 Cb 0.00 -2.22 0.01 0.00 -0.57 0.00 0.00 34.95 32.17 1n68 s ARG 252 CO 0.00 -0.88 1.07 -1.25 -1.08 0.00 0.00 175.30 173.16 1n68 s PRO 253 N -2.95 2.87 -0.14 3.89 0.04 -1.26 -4.46 135.00 132.99 1n68 s PRO 253 Ca 0.69 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 1n68 s PRO 253 Cb -0.31 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1n68 s PRO 253 CO 0.36 -1.15 -0.02 -0.51 0.04 0.00 0.00 177.00 175.72 1n68 s LEU 254 N -5.48 3.39 -0.40 -3.56 1.43 -0.57 -4.59 118.68 108.90 1n68 s LEU 254 Ca 0.59 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1n68 s LEU 254 Cb -0.15 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1n68 s LEU 254 CO 0.53 0.22 0.25 -0.31 0.23 0.00 0.00 176.35 177.27 1n68 s TYR 255 N 0.05 3.28 -0.01 0.29 1.51 0.03 -0.95 117.35 121.54 1n68 s TYR 255 Ca 0.01 -1.16 -0.30 0.00 -1.01 0.00 0.00 57.07 54.61 1n68 s TYR 255 Cb -0.13 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 1n68 s TYR 255 CO 0.02 -0.74 1.21 0.08 -1.11 0.00 0.00 175.55 175.02 1n68 s VAL 256 N 1.52 4.14 -0.13 0.71 1.01 0.15 -0.61 120.40 127.18 1n68 s VAL 256 Ca 0.02 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.55 1n68 s VAL 256 Cb -0.21 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1n68 s VAL 256 CO 0.05 0.04 0.15 2.30 0.00 0.00 0.00 175.10 177.64 1n68 n ILE 257 N 4.37 0.00 -3.61 2.22 -5.35 0.66 -1.11 119.36 116.54 1n68 n ILE 257 Ca 0.10 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.15 1n68 n ILE 257 Cb 0.46 0.78 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 1n68 n ILE 257 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n68 s ALA 258 N -1.74 -1.25 0.00 -1.28 0.00 -1.11 -1.28 121.76 115.10 1n68 s ALA 258 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1n68 s ALA 258 Cb 0.03 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1n68 s ALA 258 CO 0.18 -0.45 0.00 -1.13 0.00 0.00 0.00 175.76 174.36 1n68 n SER 259 N 0.58 1.58 -0.30 0.00 3.41 -0.29 -1.22 113.62 117.39 1n68 n SER 259 Ca -0.19 -0.75 0.10 0.00 -0.26 0.00 0.00 58.87 57.77 1n68 n SER 259 Cb 0.59 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.77 1n68 n SER 259 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1n68 h ASP 260 N 0.00 -0.31 -0.09 4.04 3.32 -1.51 -2.25 116.42 119.61 1n68 h ASP 260 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1n68 h ASP 260 Cb 0.00 0.37 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1n68 h ASP 260 CO 0.00 -0.23 0.00 0.61 -1.72 0.00 0.00 179.24 177.90 1n68 n GLY 261 N -1.44 0.84 0.00 2.75 0.00 -0.60 -4.44 105.19 102.31 1n68 n GLY 261 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1n68 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n68 n GLY 262 N 1.32 0.72 3.75 -0.02 0.00 -0.85 -4.74 105.19 105.38 1n68 n GLY 262 Ca 0.16 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1n68 n GLY 262 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n68 n LEU 263 N 0.00 5.35 -4.86 0.99 4.77 -1.26 -1.13 117.00 120.86 1n68 n LEU 263 Ca 0.00 1.02 -0.31 0.00 -0.03 0.00 0.00 56.01 56.70 1n68 n LEU 263 Cb 0.00 -1.58 0.03 0.00 -2.33 0.00 0.00 43.42 39.54 1n68 n LEU 263 CO 0.00 -0.47 0.72 -0.76 -1.33 0.00 0.00 177.39 175.56 1n68 s LEU 264 N -3.14 3.11 0.28 2.23 1.43 -0.40 -4.75 118.68 117.44 1n68 s LEU 264 Ca 0.68 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1n68 s LEU 264 Cb -0.43 -4.34 0.40 0.00 0.03 0.00 0.00 46.19 41.85 1n68 s LEU 264 CO 0.52 -1.12 1.77 1.55 0.23 0.00 0.00 176.35 179.30 1n68 h PRO 265 N -0.50 0.68 -3.95 1.29 0.13 -1.90 -3.31 132.00 124.45 1n68 h PRO 265 Ca -0.44 -0.19 -0.14 0.00 -0.87 0.00 0.00 66.00 64.36 1n68 h PRO 265 Cb 1.21 -0.08 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 1n68 h PRO 265 CO 0.61 0.73 -0.61 -1.21 -0.23 0.00 0.00 178.00 177.29 1n68 s GLU 266 N -4.88 0.50 0.45 0.86 2.02 -1.26 -0.88 118.70 115.51 1n68 s GLU 266 Ca -0.09 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 53.85 1n68 s GLU 266 Cb 0.15 0.19 -0.08 0.00 0.10 0.00 0.00 34.13 34.48 1n68 s GLU 266 CO 0.80 -0.11 1.36 -2.14 0.02 0.00 0.00 175.26 175.19 1n68 s PRO 267 N -2.50 3.69 -0.21 0.39 0.02 -1.26 -4.89 135.00 130.24 1n68 s PRO 267 Ca -0.06 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1n68 s PRO 267 Cb -0.02 -2.61 0.03 0.00 0.02 0.00 0.00 34.50 31.91 1n68 s PRO 267 CO -0.04 -0.76 -0.14 0.08 -0.33 0.00 0.00 177.00 175.81 1n68 s VAL 268 N -1.26 2.37 -0.05 3.83 1.01 -0.27 -4.92 120.40 121.12 1n68 s VAL 268 Ca 0.61 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1n68 s VAL 268 Cb -0.41 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1n68 s VAL 268 CO 0.51 0.35 1.00 -0.75 0.00 0.00 0.00 175.10 176.21 1n68 s LYS 269 N 1.28 4.50 0.10 2.72 2.20 -1.26 0.31 119.74 129.58 1n68 s LYS 269 Ca 0.01 1.41 0.03 0.00 -0.36 0.00 0.00 55.97 57.06 1n68 s LYS 269 Cb -0.15 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1n68 s LYS 269 CO -0.09 -0.17 -0.08 0.14 -0.36 0.00 0.00 175.35 174.79 1n68 s VAL 270 N 1.47 0.80 -0.69 4.02 -7.23 -0.13 -4.97 120.40 113.67 1n68 s VAL 270 Ca 0.50 -1.74 0.20 0.00 -1.81 0.00 0.00 61.98 59.13 1n68 s VAL 270 Cb -0.20 -1.46 -0.24 0.00 0.56 0.00 0.00 36.38 35.04 1n68 s VAL 270 CO 0.23 -0.70 0.73 -1.20 -0.31 0.00 0.00 175.10 173.85 1n68 n SER 271 N 0.32 0.78 -3.74 4.85 7.64 -1.26 -1.51 113.62 120.70 1n68 n SER 271 Ca -0.15 -0.71 -0.13 0.00 1.01 0.00 0.00 58.87 58.89 1n68 n SER 271 Cb 0.59 1.24 -0.08 0.00 -1.01 0.00 0.00 64.21 64.95 1n68 n SER 271 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1n68 s GLU 272 N -3.00 0.73 -0.35 1.43 -1.05 -1.26 -4.63 118.70 110.57 1n68 s GLU 272 Ca 0.04 -0.23 -0.00 0.00 -0.15 0.00 0.00 54.97 54.63 1n68 s GLU 272 Cb 0.14 0.32 0.14 0.00 -0.44 0.00 0.00 34.13 34.29 1n68 s GLU 272 CO 0.81 -0.21 0.22 -1.17 0.95 0.00 0.00 175.26 175.86 1n68 s LEU 273 N -1.48 0.79 0.25 1.83 2.96 0.24 -4.95 118.68 118.32 1n68 s LEU 273 Ca -0.12 -2.00 -0.31 0.00 -0.22 0.00 0.00 54.13 51.49 1n68 s LEU 273 Cb -0.04 -0.27 -0.11 0.00 0.50 0.00 0.00 46.19 46.27 1n68 s LEU 273 CO 0.03 -0.32 1.57 -2.84 -1.32 0.00 0.00 176.35 173.47 1n68 s PRO 274 N 1.24 4.18 -0.09 0.98 0.02 -1.26 -1.07 135.00 139.00 1n68 s PRO 274 Ca 0.17 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.64 1n68 s PRO 274 Cb -0.21 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.26 1n68 s PRO 274 CO -0.04 -0.59 0.00 0.08 -0.33 0.00 0.00 177.00 176.13 1n68 s VAL 275 N 0.37 0.42 0.68 3.83 1.01 -0.09 -4.93 120.40 121.70 1n68 s VAL 275 Ca 0.65 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 1n68 s VAL 275 Cb -0.46 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1n68 s VAL 275 CO 0.41 0.20 1.04 -0.76 0.00 0.00 0.00 175.10 176.00 1n68 s LEU 276 N 1.95 2.97 0.12 3.92 1.43 -1.26 -1.78 118.68 126.03 1n68 s LEU 276 Ca 0.04 0.99 -0.32 0.00 -1.03 0.00 0.00 54.13 53.81 1n68 s LEU 276 Cb -0.13 -3.77 -0.11 0.00 0.03 0.00 0.00 46.19 42.20 1n68 s LEU 276 CO -0.06 -1.29 1.79 0.23 0.23 0.00 0.00 176.35 177.25 1n68 n MET 277 N -2.90 2.66 0.00 1.70 2.81 -1.26 -1.80 117.12 118.33 1n68 n MET 277 Ca 0.06 0.96 0.00 0.00 -1.81 0.00 0.00 57.70 56.92 1n68 n MET 277 Cb 0.58 -2.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 1n68 n MET 277 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n68 n GLY 278 N 4.10 1.49 3.81 3.03 0.00 0.01 -4.86 105.19 112.78 1n68 n GLY 278 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1n68 n GLY 278 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n68 s GLU 279 N -0.56 4.11 0.05 1.61 2.02 -0.74 -4.87 118.70 120.31 1n68 s GLU 279 Ca 0.00 1.18 0.09 0.00 0.02 0.00 0.00 54.97 56.26 1n68 s GLU 279 Cb 0.00 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1n68 s GLU 279 CO 0.00 -0.14 -0.24 1.03 0.02 0.00 0.00 175.26 175.93 1n68 s ARG 280 N -3.22 1.56 0.01 1.61 3.00 -1.26 -2.24 118.95 118.41 1n68 s ARG 280 Ca 0.63 -1.06 0.00 0.00 0.00 0.00 0.00 55.73 55.30 1n68 s ARG 280 Cb -0.11 -1.74 -0.01 0.00 0.00 0.00 0.00 34.95 33.08 1n68 s ARG 280 CO 0.15 0.44 -0.02 -0.06 0.00 0.00 0.00 175.30 175.81 1n68 s PHE 281 N -0.84 0.20 -0.18 -0.53 0.08 -0.64 -2.50 117.98 113.57 1n68 s PHE 281 Ca 0.10 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1n68 s PHE 281 Cb -0.09 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 1n68 s PHE 281 CO 0.02 -0.11 0.03 -1.21 -0.10 0.00 0.00 175.22 173.86 1n68 s GLU 282 N -0.89 3.87 0.13 0.44 2.02 -0.35 -0.54 118.70 123.37 1n68 s GLU 282 Ca -0.09 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1n68 s GLU 282 Cb -0.06 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1n68 s GLU 282 CO -0.01 0.23 -0.19 0.14 0.02 0.00 0.00 175.26 175.46 1n68 s VAL 283 N 0.46 1.67 -0.07 2.63 -7.23 -0.54 -0.25 120.40 117.07 1n68 s VAL 283 Ca 0.01 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1n68 s VAL 283 Cb -0.13 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1n68 s VAL 283 CO 0.01 -0.22 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.81 1n68 s LEU 284 N -2.28 3.46 0.01 1.32 1.02 0.22 -0.97 118.68 121.46 1n68 s LEU 284 Ca 0.10 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.35 1n68 s LEU 284 Cb -0.08 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 1n68 s LEU 284 CO 0.05 0.36 -0.07 0.54 0.02 0.00 0.00 176.35 177.26 1n68 s VAL 285 N -0.89 0.49 0.14 -1.59 0.11 -0.22 -0.79 120.40 117.65 1n68 s VAL 285 Ca 0.14 -0.56 -0.24 0.00 -2.93 0.00 0.00 61.98 58.38 1n68 s VAL 285 Cb -0.11 -0.47 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 1n68 s VAL 285 CO 0.03 -0.07 0.74 -0.70 -3.33 0.00 0.00 175.10 171.78 1n68 s GLU 286 N -0.68 4.51 -0.14 1.54 2.12 -1.26 -1.08 118.70 123.70 1n68 s GLU 286 Ca -0.02 1.09 0.01 0.00 0.36 0.00 0.00 54.97 56.40 1n68 s GLU 286 Cb -0.05 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.06 1n68 s GLU 286 CO 0.00 0.55 -0.16 0.08 -0.54 0.00 0.00 175.26 175.19 1n68 s VAL 287 N -1.02 2.66 0.03 3.70 1.01 0.27 -4.94 120.40 122.10 1n68 s VAL 287 Ca 0.35 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1n68 s VAL 287 Cb -0.22 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1n68 s VAL 287 CO 0.25 0.52 -0.19 0.20 0.00 0.00 0.00 175.10 175.88 1n68 s ASN 288 N 0.64 2.26 0.34 3.32 0.01 -1.26 -1.62 114.94 118.62 1n68 s ASN 288 Ca -0.08 -0.45 -0.28 0.00 -0.71 0.00 0.00 52.86 51.33 1n68 s ASN 288 Cb -0.16 -0.20 -0.12 0.00 0.41 0.00 0.00 41.25 41.18 1n68 s ASN 288 CO 0.02 0.16 1.25 0.47 -1.51 0.00 0.00 177.10 177.50 1n68 n ASP 289 N 2.09 2.57 -0.33 -1.22 9.92 -1.26 -2.43 116.55 125.89 1n68 n ASP 289 Ca -0.17 1.20 -0.04 0.00 -0.53 0.00 0.00 54.79 55.25 1n68 n ASP 289 Cb 0.54 -1.46 -0.02 0.00 -0.64 0.00 0.00 41.12 39.54 1n68 n ASP 289 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1n68 n ASN 290 N 0.81 -5.05 -3.66 -2.24 3.02 -1.26 -4.94 115.26 101.95 1n68 n ASN 290 Ca 0.05 0.11 -0.28 0.00 -0.03 0.00 0.00 54.58 54.43 1n68 n ASN 290 Cb 0.36 -2.93 -0.11 0.00 -0.61 0.00 0.00 39.78 36.49 1n68 n ASN 290 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1n68 s LYS 291 N -1.95 1.73 0.66 3.52 2.20 -1.02 -5.09 119.74 119.79 1n68 s LYS 291 Ca 0.00 -2.77 -0.17 0.00 -0.36 0.00 0.00 55.97 52.67 1n68 s LYS 291 Cb 0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1n68 s LYS 291 CO 0.00 -1.34 1.25 -2.14 -0.36 0.00 0.00 175.35 172.76 1n68 s PRO 292 N -0.75 2.49 0.08 4.03 0.02 -1.26 -4.68 135.00 134.93 1n68 s PRO 292 Ca 0.29 1.93 -0.12 0.00 0.02 0.00 0.00 61.00 63.12 1n68 s PRO 292 Cb -0.00 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.67 1n68 s PRO 292 CO -0.18 -1.61 0.27 -0.59 -0.33 0.00 0.00 177.00 174.56 1n68 s PHE 293 N -1.62 -0.00 -0.02 6.54 -0.71 -1.06 -5.02 117.98 116.09 1n68 s PHE 293 Ca 0.79 -0.30 -0.09 0.00 -1.04 0.00 0.00 56.93 56.29 1n68 s PHE 293 Cb -0.34 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 1n68 s PHE 293 CO 0.40 -0.55 0.28 -0.51 -1.34 0.00 0.00 175.22 173.50 1n68 s ASP 294 N -2.55 6.56 0.06 1.98 1.01 -1.26 -0.50 116.67 121.97 1n68 s ASP 294 Ca 0.01 0.65 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 1n68 s ASP 294 Cb 0.02 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 1n68 s ASP 294 CO -0.08 0.30 1.16 -0.22 0.21 0.00 0.00 175.17 176.54 1n68 s LEU 295 N -1.42 4.38 0.26 1.23 2.96 0.02 -1.06 118.68 125.05 1n68 s LEU 295 Ca 0.24 1.96 0.04 0.00 -0.22 0.00 0.00 54.13 56.15 1n68 s LEU 295 Cb -0.14 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1n68 s LEU 295 CO 0.12 -0.42 0.01 0.68 -1.32 0.00 0.00 176.35 175.42 1n68 s VAL 296 N 0.98 1.12 -0.07 1.68 -7.23 0.70 -0.38 120.40 117.19 1n68 s VAL 296 Ca 0.57 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1n68 s VAL 296 Cb -0.28 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 1n68 s VAL 296 CO 0.29 -0.24 -0.22 0.28 -0.31 0.00 0.00 175.10 174.90 1n68 s THR 297 N -3.36 1.89 0.18 5.32 -1.32 -0.01 -0.95 115.64 117.40 1n68 s THR 297 Ca 0.31 -0.95 -0.11 0.00 -1.21 0.00 0.00 61.69 59.73 1n68 s THR 297 Cb 0.06 -1.62 -0.07 0.00 -1.51 0.00 0.00 72.50 69.36 1n68 s THR 297 CO 0.11 0.53 0.52 -0.76 -2.21 0.00 0.00 174.62 172.81 1n68 s LEU 298 N 0.14 4.24 0.35 9.08 1.43 0.32 -0.46 118.68 133.78 1n68 s LEU 298 Ca -0.11 0.93 -0.28 0.00 -1.03 0.00 0.00 54.13 53.64 1n68 s LEU 298 Cb -0.15 -3.47 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 1n68 s LEU 298 CO 0.06 0.01 1.36 -2.65 0.23 0.00 0.00 176.35 175.35 1n68 n PRO 299 N 0.25 2.31 -4.16 1.29 -0.02 -1.26 -4.36 135.00 129.05 1n68 n PRO 299 Ca -0.02 0.81 -0.25 0.00 -2.02 0.00 0.00 63.50 62.01 1n68 n PRO 299 Cb 0.52 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1n68 n PRO 299 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1n68 s VAL 300 N -1.10 4.05 -1.19 -1.45 -7.23 -1.26 -5.00 120.40 107.22 1n68 s VAL 300 Ca 0.55 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 59.24 1n68 s VAL 300 Cb -0.54 -3.08 0.21 0.00 0.56 0.00 0.00 36.38 33.53 1n68 s VAL 300 CO 0.63 -0.17 1.40 -1.20 -0.31 0.00 0.00 175.10 175.44 1n68 n SER 301 N -0.43 5.35 -3.79 4.85 7.64 -1.26 -4.50 113.62 121.48 1n68 n SER 301 Ca -0.09 -3.03 -0.13 0.00 1.01 0.00 0.00 58.87 56.64 1n68 n SER 301 Cb 0.56 -1.50 -0.14 0.00 -1.01 0.00 0.00 64.21 62.12 1n68 n SER 301 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1n68 s GLN 302 N 0.49 0.08 -0.30 1.43 0.74 -1.26 -4.97 119.66 115.87 1n68 s GLN 302 Ca 0.39 0.25 -0.41 0.00 0.05 0.00 0.00 55.36 55.64 1n68 s GLN 302 Cb -0.03 -0.09 -0.16 0.00 1.10 0.00 0.00 33.01 33.83 1n68 s GLN 302 CO -0.01 -0.10 1.72 -0.12 -0.55 0.00 0.00 175.29 176.22 1n68 n MET 303 N 3.70 1.00 -0.38 1.67 0.00 -1.26 -1.58 117.12 120.26 1n68 n MET 303 Ca -0.21 0.36 0.00 0.00 -0.00 0.00 0.00 57.70 57.86 1n68 n MET 303 Cb 0.55 -2.02 0.00 0.00 0.00 0.00 0.00 33.22 31.75 1n68 n MET 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n68 n GLY 304 N 4.14 1.72 0.64 -5.12 0.00 0.86 -4.89 105.19 102.54 1n68 n GLY 304 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1n68 n GLY 304 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n68 n MET 305 N -2.00 1.88 -0.92 1.61 2.00 -0.61 -3.93 117.12 115.14 1n68 n MET 305 Ca 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 57.70 56.35 1n68 n MET 305 Cb 0.00 -1.46 0.18 0.00 0.00 0.00 0.00 33.22 31.93 1n68 n MET 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1n68 n ALA 306 N 0.55 4.37 -2.33 3.04 0.00 -1.26 -4.69 120.51 120.18 1n68 n ALA 306 Ca 0.17 -3.27 -0.41 0.00 0.00 0.00 0.00 53.44 49.93 1n68 n ALA 306 Cb 0.42 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1n68 n ALA 306 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n68 s ILE 307 N -3.46 4.57 0.23 0.00 -1.09 -1.25 -3.60 121.20 116.60 1n68 s ILE 307 Ca 0.45 2.01 -0.30 0.00 -2.23 0.00 0.00 60.65 60.58 1n68 s ILE 307 Cb 0.41 -4.29 -0.15 0.00 -1.58 0.00 0.00 42.46 36.84 1n68 s ILE 307 CO -0.01 0.31 0.99 0.00 -1.23 0.00 0.00 174.94 175.00 1n68 n ALA 308 N 2.90 -0.84 -0.21 9.38 0.00 -1.26 -0.95 120.51 129.53 1n68 n ALA 308 Ca 0.02 0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.93 1n68 n ALA 308 Cb 0.49 -1.96 0.26 0.00 0.00 0.00 0.00 19.45 18.25 1n68 n ALA 308 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n68 n PRO 309 N 1.12 3.51 -0.01 0.00 -0.04 -1.26 -4.84 135.00 133.48 1n68 n PRO 309 Ca 0.13 -2.05 0.12 0.00 -0.04 0.00 0.00 63.50 61.66 1n68 n PRO 309 Cb 0.28 -1.98 0.66 0.00 -0.04 0.00 0.00 33.50 32.42 1n68 n PRO 309 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n68 n PHE 310 N 0.43 0.03 0.94 0.54 3.72 -0.13 -3.43 117.46 119.56 1n68 n PHE 310 Ca 0.18 -0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.68 1n68 n PHE 310 Cb 0.86 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.94 1n68 n PHE 310 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1n68 n ASP 311 N -0.58 0.00 -4.39 4.37 5.75 -1.24 -4.38 116.55 116.08 1n68 n ASP 311 Ca 0.18 0.29 -0.19 0.00 -0.01 0.00 0.00 54.79 55.06 1n68 n ASP 311 Cb 0.15 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 39.72 1n68 n ASP 311 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1n68 s LYS 312 N -2.84 1.49 0.30 0.11 1.02 -1.22 -4.83 119.74 113.78 1n68 s LYS 312 Ca 0.16 -1.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.07 1n68 s LYS 312 Cb 0.16 -0.73 -0.13 0.00 -0.52 0.00 0.00 37.83 36.60 1n68 s LYS 312 CO 0.41 -0.14 1.27 -2.30 -0.92 0.00 0.00 175.35 173.67 1n68 n PRO 313 N -0.55 1.94 -4.88 -1.68 -0.02 -1.26 -4.44 135.00 124.10 1n68 n PRO 313 Ca -0.03 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1n68 n PRO 313 Cb 0.65 -2.24 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 1n68 n PRO 313 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1n68 s HIS 314 N -0.77 2.07 0.48 6.00 2.46 0.39 -4.95 115.29 120.96 1n68 s HIS 314 Ca 0.60 -0.84 -0.22 0.00 0.47 0.00 0.00 55.06 55.07 1n68 s HIS 314 Cb -0.62 -1.43 -0.07 0.00 -0.13 0.00 0.00 32.58 30.33 1n68 s HIS 314 CO 0.58 -0.37 1.15 -2.14 -2.47 0.00 0.00 174.74 171.49 1n68 s PRO 315 N 0.54 3.66 -0.13 2.88 0.02 -1.26 -0.83 135.00 139.89 1n68 s PRO 315 Ca -0.16 1.72 -0.04 0.00 0.02 0.00 0.00 61.00 62.55 1n68 s PRO 315 Cb -0.17 -2.30 -0.06 0.00 0.02 0.00 0.00 34.50 31.99 1n68 s PRO 315 CO 0.06 -0.62 -0.14 0.28 -0.33 0.00 0.00 177.00 176.24 1n68 n VAL 316 N -0.69 0.70 -3.53 3.83 0.31 0.49 -4.83 118.33 114.61 1n68 n VAL 316 Ca 0.08 -0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 1n68 n VAL 316 Cb 0.49 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 1n68 n VAL 316 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n68 s MET 317 N -2.24 0.89 -0.16 5.55 0.23 -1.01 -4.24 119.30 118.32 1n68 s MET 317 Ca -0.17 0.14 -0.16 0.00 -1.03 0.00 0.00 55.69 54.46 1n68 s MET 317 Cb 0.06 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1n68 s MET 317 CO 0.25 -0.29 0.41 0.50 -2.03 0.00 0.00 175.02 173.86 1n68 s ARG 318 N -1.43 4.25 -0.28 3.16 6.06 -0.04 -0.80 118.95 129.88 1n68 s ARG 318 Ca -0.06 0.28 -0.15 0.00 -2.50 0.00 0.00 55.73 53.30 1n68 s ARG 318 Cb -0.00 -3.48 -0.03 0.00 0.06 0.00 0.00 34.95 31.50 1n68 s ARG 318 CO 0.04 0.08 0.38 0.42 -2.50 0.00 0.00 175.30 173.73 1n68 s ILE 319 N 0.92 5.16 -0.44 4.11 1.09 0.35 -0.09 121.20 132.30 1n68 s ILE 319 Ca 0.21 0.50 -0.13 0.00 -1.10 0.00 0.00 60.65 60.13 1n68 s ILE 319 Cb -0.15 -3.73 0.06 0.00 -1.06 0.00 0.00 42.46 37.59 1n68 s ILE 319 CO 0.08 0.11 0.32 -1.58 -0.10 0.00 0.00 174.94 173.77 1n68 s GLN 320 N 2.09 2.85 0.32 2.79 2.00 0.18 -2.57 119.66 127.31 1n68 s GLN 320 Ca 0.15 -1.31 -0.29 0.00 -2.00 0.00 0.00 55.36 51.91 1n68 s GLN 320 Cb -0.16 -3.97 -0.10 0.00 0.80 0.00 0.00 33.01 29.58 1n68 s GLN 320 CO 0.10 -0.93 1.29 -2.14 -0.50 0.00 0.00 175.29 173.11 1n68 s PRO 321 N 1.57 4.38 -0.13 1.67 0.02 -1.26 -1.98 135.00 139.28 1n68 s PRO 321 Ca 0.04 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 1n68 s PRO 321 Cb -0.23 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1n68 s PRO 321 CO 0.06 -0.16 -0.12 0.42 -0.33 0.00 0.00 177.00 176.87 1n68 s ILE 322 N -1.05 3.19 -1.23 2.83 -1.09 0.37 -4.75 121.20 119.47 1n68 s ILE 322 Ca 0.49 -0.62 -0.08 0.00 -2.23 0.00 0.00 60.65 58.21 1n68 s ILE 322 Cb -0.39 -2.35 -0.09 0.00 -1.58 0.00 0.00 42.46 38.05 1n68 s ILE 322 CO 0.51 0.52 3.02 0.00 -1.23 0.00 0.00 174.94 177.76 1n68 n ALA 323 N 3.46 7.22 -2.71 9.38 0.00 -1.26 -1.89 120.51 134.70 1n68 n ALA 323 Ca -0.18 -3.25 -0.17 0.00 0.00 0.00 0.00 53.44 49.84 1n68 n ALA 323 Cb 0.53 -3.05 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 1n68 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n68 s ILE 324 N 1.37 0.66 -0.01 0.00 1.01 -1.26 -4.99 121.20 117.98 1n68 s ILE 324 Ca 0.67 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1n68 s ILE 324 Cb 0.22 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 1n68 s ILE 324 CO -0.06 0.09 1.25 -0.55 0.00 0.00 0.00 174.94 175.68 1n68 s SER 325 N -0.44 7.00 0.20 3.58 0.15 -1.26 -0.77 113.70 122.15 1n68 s SER 325 Ca 0.01 1.95 -0.26 0.00 0.70 0.00 0.00 55.95 58.35 1n68 s SER 325 Cb -0.04 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.62 1n68 s SER 325 CO -0.00 -0.59 0.83 0.00 1.20 0.00 0.00 173.24 174.68 1n68 s ALA 326 N 1.91 3.41 -0.72 5.45 0.00 0.90 -4.85 121.76 127.86 1n68 s ALA 326 Ca 0.59 0.44 0.25 0.00 0.00 0.00 0.00 51.96 53.24 1n68 s ALA 326 Cb -0.28 -3.04 0.57 0.00 0.00 0.00 0.00 23.12 20.37 1n68 s ALA 326 CO 0.25 0.27 1.52 0.45 0.00 0.00 0.00 175.76 178.25 1n68 n SER 327 N 1.48 0.69 -4.75 0.00 2.88 -1.26 -4.78 113.62 107.87 1n68 n SER 327 Ca -0.04 0.27 -0.36 0.00 -1.33 0.00 0.00 58.87 57.42 1n68 n SER 327 Cb 0.48 -0.20 0.04 0.00 -0.75 0.00 0.00 64.21 63.78 1n68 n SER 327 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1n68 s GLY 328 N -3.55 2.69 0.18 0.46 0.00 -1.26 -4.91 107.32 100.94 1n68 s GLY 328 Ca 0.09 0.98 0.08 0.00 0.00 0.00 0.00 44.72 45.87 1n68 s GLY 328 CO 0.67 1.38 -0.02 0.00 0.00 0.00 0.00 173.10 175.12 1n68 s ALA 329 N -1.65 3.14 -0.64 3.20 0.00 0.34 -4.54 121.76 121.60 1n68 s ALA 329 Ca 0.77 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1n68 s ALA 329 Cb -0.30 -0.91 0.17 0.00 0.00 0.00 0.00 23.12 22.07 1n68 s ALA 329 CO 0.34 0.46 0.47 -1.17 0.00 0.00 0.00 175.76 175.86 1n68 s LEU 330 N -2.98 5.46 0.55 0.00 2.96 -1.26 -4.33 118.68 119.08 1n68 s LEU 330 Ca 0.27 -2.76 -0.20 0.00 -0.22 0.00 0.00 54.13 51.22 1n68 s LEU 330 Cb -0.09 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1n68 s LEU 330 CO 0.18 -0.42 1.15 -2.84 -1.32 0.00 0.00 176.35 173.10 1n68 s PRO 331 N 0.07 3.30 0.24 0.98 0.02 -1.26 -4.94 135.00 133.41 1n68 s PRO 331 Ca 0.16 1.68 -0.04 0.00 0.02 0.00 0.00 61.00 62.82 1n68 s PRO 331 Cb -0.19 -2.02 0.27 0.00 0.02 0.00 0.00 34.50 32.57 1n68 s PRO 331 CO -0.04 -0.90 1.74 -0.44 -0.33 0.00 0.00 177.00 177.02 1n68 h ASP 332 N 1.20 0.85 -3.27 2.53 3.32 -1.98 -3.42 116.42 115.65 1n68 h ASP 332 Ca -0.50 -0.21 -0.59 0.00 0.02 0.00 0.00 57.03 55.75 1n68 h ASP 332 Cb 1.27 -0.23 -0.34 0.00 0.22 0.00 0.00 39.33 40.25 1n68 h ASP 332 CO 0.57 0.90 -0.84 -0.89 -1.72 0.00 0.00 179.24 177.26 1n68 s THR 333 N -5.04 1.54 -0.26 0.35 2.01 -1.26 -4.40 115.64 108.58 1n68 s THR 333 Ca -0.10 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 1n68 s THR 333 Cb 0.15 -1.40 -0.14 0.00 0.01 0.00 0.00 72.50 71.12 1n68 s THR 333 CO 0.82 0.45 -0.28 0.18 -0.69 0.00 0.00 174.62 175.10 1n68 n LEU 334 N 4.15 2.42 -3.82 4.42 4.77 -0.06 -5.00 117.00 123.89 1n68 n LEU 334 Ca -0.19 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1n68 n LEU 334 Cb 0.51 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1n68 n LEU 334 CO 0.24 0.74 0.80 -0.94 -1.33 0.00 0.00 177.39 176.89 1n68 s SER 335 N -6.92 -0.07 -0.20 -1.43 1.04 -1.09 -4.94 113.70 100.10 1n68 s SER 335 Ca -0.36 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.48 1n68 s SER 335 Cb 0.12 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1n68 s SER 335 CO 0.52 -0.91 0.03 -0.55 0.98 0.00 0.00 173.24 173.31 1n68 s SER 336 N -3.20 5.14 -0.26 7.02 0.15 -1.26 -4.30 113.70 116.99 1n68 s SER 336 Ca 0.18 -0.11 -0.06 0.00 0.70 0.00 0.00 55.95 56.66 1n68 s SER 336 Cb -0.02 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1n68 s SER 336 CO 0.04 0.08 0.03 -0.22 1.20 0.00 0.00 173.24 174.37 1n68 s LEU 337 N 0.89 3.40 0.76 3.45 2.96 -1.26 -4.96 118.68 123.92 1n68 s LEU 337 Ca 0.02 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.33 1n68 s LEU 337 Cb -0.14 -1.84 0.06 0.00 0.50 0.00 0.00 46.19 44.77 1n68 s LEU 337 CO 0.02 -0.09 1.14 -2.16 -1.32 0.00 0.00 176.35 173.94 1n68 s PRO 338 N 1.52 2.12 0.75 0.98 0.04 -1.26 -4.98 135.00 134.16 1n68 s PRO 338 Ca 0.04 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1n68 s PRO 338 Cb -0.16 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1n68 s PRO 338 CO 0.01 -1.79 1.14 0.00 0.04 0.00 0.00 177.00 176.40 1n68 s ALA 339 N -2.47 2.16 0.20 8.56 0.00 -1.26 -4.94 121.76 124.01 1n68 s ALA 339 Ca 0.67 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 1n68 s ALA 339 Cb -0.22 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1n68 s ALA 339 CO 0.50 -1.80 1.61 -0.51 0.00 0.00 0.00 175.76 175.55 1n68 s LEU 340 N -5.47 4.37 1.34 0.00 1.02 -1.26 -4.98 118.68 113.70 1n68 s LEU 340 Ca 0.68 2.74 -0.22 0.00 0.02 0.00 0.00 54.13 57.35 1n68 s LEU 340 Cb -0.23 -3.60 0.34 0.00 0.02 0.00 0.00 46.19 42.72 1n68 s LEU 340 CO 0.49 -0.87 1.02 -2.16 0.02 0.00 0.00 176.35 174.85 1n68 s PRO 341 N 0.80 -2.32 0.23 1.29 0.04 -1.26 -4.96 135.00 128.82 1n68 s PRO 341 Ca 0.70 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1n68 s PRO 341 Cb -0.46 -1.47 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1n68 s PRO 341 CO 0.35 -4.43 1.19 0.45 0.04 0.00 0.00 177.00 174.60 1n68 s SER 342 N -3.61 7.08 0.14 6.66 0.15 -1.26 -4.95 113.70 117.91 1n68 s SER 342 Ca 0.70 2.31 0.19 0.00 0.70 0.00 0.00 55.95 59.85 1n68 s SER 342 Cb -0.10 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.54 1n68 s SER 342 CO 0.56 -0.35 0.98 -0.07 1.20 0.00 0.00 173.24 175.57 1n68 h LEU 343 N 4.70 0.00 -9.55 3.45 4.07 -2.00 -3.45 115.31 112.52 1n68 h LEU 343 Ca -0.46 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 56.98 1n68 h LEU 343 Cb 1.21 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.99 1n68 h LEU 343 CO 0.72 0.36 0.99 -0.70 -1.08 0.00 0.00 178.44 178.72 1n68 s GLU 344 N -3.09 4.18 0.00 1.13 2.56 -1.26 -1.91 118.70 120.32 1n68 s GLU 344 Ca -0.01 2.44 0.00 0.00 0.00 0.00 0.00 54.97 57.40 1n68 s GLU 344 Cb 0.09 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.85 1n68 s GLU 344 CO 0.79 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 1n68 n GLY 345 N 3.97 1.02 3.77 -1.50 0.00 -1.26 -5.05 105.19 106.14 1n68 n GLY 345 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1n68 n GLY 345 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n68 s LEU 346 N 0.00 4.45 0.19 0.99 1.43 -0.80 -4.97 118.68 119.97 1n68 s LEU 346 Ca 0.00 1.98 -0.33 0.00 -1.03 0.00 0.00 54.13 54.76 1n68 s LEU 346 Cb 0.00 -3.83 -0.13 0.00 0.03 0.00 0.00 46.19 42.26 1n68 s LEU 346 CO 0.00 -0.07 1.64 0.41 0.23 0.00 0.00 176.35 178.56 1n68 n THR 347 N 0.89 0.07 -4.00 5.49 -1.04 -1.26 -4.78 114.28 109.64 1n68 n THR 347 Ca 0.00 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1n68 n THR 347 Cb 0.48 -1.75 -0.09 0.00 -1.82 0.00 0.00 70.33 67.15 1n68 n THR 347 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n68 s VAL 348 N 0.96 4.93 -0.09 12.58 1.01 -1.26 -0.91 120.40 137.62 1n68 s VAL 348 Ca 0.76 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.79 1n68 s VAL 348 Cb -0.59 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1n68 s VAL 348 CO 0.36 0.51 -0.22 -0.13 0.00 0.00 0.00 175.10 175.62 1n68 s ARG 349 N -0.07 2.76 -0.15 2.72 0.52 -0.16 -4.98 118.95 119.60 1n68 s ARG 349 Ca 0.07 -0.81 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1n68 s ARG 349 Cb -0.12 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1n68 s ARG 349 CO 0.01 0.19 0.08 0.15 0.02 0.00 0.00 175.30 175.74 1n68 s LYS 350 N 0.31 3.64 -0.31 3.54 1.02 -1.26 -0.02 119.74 126.66 1n68 s LYS 350 Ca -0.16 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1n68 s LYS 350 Cb -0.17 -3.14 0.10 0.00 -0.52 0.00 0.00 37.83 34.10 1n68 s LYS 350 CO 0.07 0.51 0.08 -0.51 -0.92 0.00 0.00 175.35 174.59 1n68 s LEU 351 N -0.29 2.70 -0.40 3.17 1.02 0.49 -4.94 118.68 120.44 1n68 s LEU 351 Ca 0.09 -1.70 -0.22 0.00 0.02 0.00 0.00 54.13 52.31 1n68 s LEU 351 Cb -0.12 -1.01 0.01 0.00 0.02 0.00 0.00 46.19 45.09 1n68 s LEU 351 CO 0.01 -0.40 0.75 -1.58 0.02 0.00 0.00 176.35 175.15 1n68 s GLN 352 N 1.48 3.59 0.37 1.70 2.00 -1.26 -1.19 119.66 126.34 1n68 s GLN 352 Ca 0.09 0.07 -0.19 0.00 -2.00 0.00 0.00 55.36 53.33 1n68 s GLN 352 Cb -0.18 -3.86 -0.10 0.00 0.80 0.00 0.00 33.01 29.67 1n68 s GLN 352 CO -0.21 -0.93 0.86 -0.51 -0.50 0.00 0.00 175.29 174.00 1n68 s LEU 353 N 3.07 4.06 0.15 3.68 1.43 0.81 -1.18 118.68 130.71 1n68 s LEU 353 Ca 0.29 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.74 1n68 s LEU 353 Cb -0.13 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 41.89 1n68 s LEU 353 CO 0.19 -0.25 0.52 -0.94 0.23 0.00 0.00 176.35 176.10 1n68 s SER 354 N -2.11 -0.41 -0.04 2.29 1.04 -0.58 -4.69 113.70 109.20 1n68 s SER 354 Ca 0.57 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.85 1n68 s SER 354 Cb -0.11 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1n68 s SER 354 CO 0.16 -0.94 -0.09 -0.04 0.98 0.00 0.00 173.24 173.31 1n68 s MET 355 N -3.78 1.13 0.07 4.02 -1.94 -1.26 -0.96 119.30 116.58 1n68 s MET 355 Ca 0.02 -0.30 -0.34 0.00 -1.71 0.00 0.00 55.69 53.36 1n68 s MET 355 Cb 0.00 -1.02 -0.14 0.00 2.01 0.00 0.00 34.83 35.68 1n68 s MET 355 CO -0.12 0.07 1.65 -3.47 -0.01 0.00 0.00 175.02 173.14 1n68 n ASP 356 N 3.53 3.07 -0.32 3.03 -0.08 -0.15 -4.83 116.55 120.78 1n68 n ASP 356 Ca -0.21 1.05 0.15 0.00 -1.51 0.00 0.00 54.79 54.28 1n68 n ASP 356 Cb 0.53 -1.38 0.35 0.00 2.34 0.00 0.00 41.12 42.95 1n68 n ASP 356 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1n68 h PRO 357 N 6.81 0.46 -0.89 -0.67 0.11 -1.99 0.17 132.00 136.01 1n68 h PRO 357 Ca -0.46 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1n68 h PRO 357 Cb 1.27 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1n68 h PRO 357 CO 0.90 0.31 0.58 1.98 -0.21 0.00 0.00 178.00 181.56 1n68 h MET 358 N 0.48 0.91 -0.12 1.05 4.05 -1.99 0.29 114.93 119.60 1n68 h MET 358 Ca 0.60 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.92 1n68 h MET 358 Cb 1.15 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.74 1n68 h MET 358 CO -0.51 0.60 -0.09 1.25 0.23 0.00 0.00 176.91 178.40 1n68 h LEU 359 N 0.94 0.29 -0.24 3.39 6.46 -1.04 -0.61 115.31 124.50 1n68 h LEU 359 Ca 0.40 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1n68 h LEU 359 Cb 0.32 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 1n68 h LEU 359 CO -0.16 0.67 -0.01 0.44 -0.62 0.00 0.00 178.44 178.75 1n68 h ASP 360 N -0.10 -0.12 0.36 1.25 3.32 -0.86 0.18 116.42 120.45 1n68 h ASP 360 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1n68 h ASP 360 Cb 0.58 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1n68 h ASP 360 CO 0.02 -0.03 -0.17 0.24 -1.72 0.00 0.00 179.24 177.58 1n68 h MET 361 N 0.06 -0.47 -0.62 3.56 2.86 -0.91 -1.11 114.93 118.29 1n68 h MET 361 Ca 0.11 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1n68 h MET 361 Cb 0.15 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1n68 h MET 361 CO -0.21 -0.21 0.28 0.52 1.06 0.00 0.00 176.91 178.35 1n68 h MET 362 N -0.65 0.91 -0.38 1.72 2.86 -1.02 -0.71 114.93 117.67 1n68 h MET 362 Ca -0.05 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1n68 h MET 362 Cb 0.47 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1n68 h MET 362 CO 0.08 0.75 0.01 0.78 1.06 0.00 0.00 176.91 179.59 1n68 h GLY 363 N 0.86 0.72 1.53 8.32 0.00 -0.62 -1.47 103.07 112.41 1n68 h GLY 363 Ca 0.21 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1n68 h GLY 363 CO -0.02 0.48 -0.38 -0.33 0.00 0.00 0.00 176.54 176.29 1n68 h MET 364 N 0.49 0.52 -0.26 4.80 2.86 -1.14 -1.32 114.93 120.87 1n68 h MET 364 Ca 0.11 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1n68 h MET 364 Cb 0.45 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1n68 h MET 364 CO 0.02 0.82 0.08 0.37 1.06 0.00 0.00 176.91 179.25 1n68 h GLN 365 N 0.43 0.41 -0.71 1.72 4.15 -0.89 -0.28 115.11 119.95 1n68 h GLN 365 Ca 0.04 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.44 1n68 h GLN 365 Cb 0.86 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 1n68 h GLN 365 CO 0.07 0.48 0.39 0.52 -1.93 0.00 0.00 178.83 178.36 1n68 h MET 366 N 0.25 0.67 -0.04 1.69 2.86 -1.16 0.08 114.93 119.29 1n68 h MET 366 Ca 0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1n68 h MET 366 Cb 0.25 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1n68 h MET 366 CO -0.00 0.44 0.02 1.25 1.06 0.00 0.00 176.91 179.68 1n68 h LEU 367 N 0.69 0.05 -0.77 1.22 5.85 -0.79 -2.05 115.31 119.51 1n68 h LEU 367 Ca 0.33 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1n68 h LEU 367 Cb 0.26 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1n68 h LEU 367 CO -0.21 0.18 0.22 0.24 -0.34 0.00 0.00 178.44 178.53 1n68 h MET 368 N -0.08 1.14 -0.67 1.25 2.86 -0.91 -1.68 114.93 116.85 1n68 h MET 368 Ca 0.01 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1n68 h MET 368 Cb 0.15 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1n68 h MET 368 CO -0.00 0.98 0.18 0.93 1.06 0.00 0.00 176.91 180.06 1n68 h GLU 369 N 1.10 1.05 -0.01 1.72 5.08 -0.91 0.44 114.58 123.05 1n68 h GLU 369 Ca 0.24 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1n68 h GLU 369 Cb 0.32 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1n68 h GLU 369 CO -0.01 0.92 -0.46 -0.22 -1.00 0.00 0.00 179.01 178.24 1n68 h LYS 370 N 1.00 0.34 0.00 2.33 3.64 -1.00 -3.39 116.57 119.49 1n68 h LYS 370 Ca 0.22 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1n68 h LYS 370 Cb 0.33 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1n68 h LYS 370 CO -0.00 1.03 -0.82 0.66 -2.27 0.00 0.00 179.45 178.04 1n68 n TYR 371 N -4.32 0.00 -4.70 1.91 4.01 -0.66 -5.11 117.16 108.29 1n68 n TYR 371 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1n68 n TYR 371 Cb 0.60 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1n68 n TYR 371 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n68 n GLY 372 N 1.47 0.50 0.39 2.72 0.00 0.16 -4.02 105.19 106.41 1n68 n GLY 372 Ca 0.01 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.38 1n68 n GLY 372 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n68 h ASP 373 N 6.63 0.48 0.10 1.61 3.32 -1.95 -0.41 116.42 126.20 1n68 h ASP 373 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1n68 h ASP 373 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1n68 h ASP 373 CO 0.00 0.22 0.00 -0.61 -1.72 0.00 0.00 179.24 177.13 1n68 h GLN 374 N 0.49 0.00 0.00 3.56 5.75 -1.96 -1.28 115.11 121.67 1n68 h GLN 374 Ca 0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.94 1n68 h GLN 374 Cb 0.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1n68 h GLN 374 CO -0.18 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.00 1n68 n ALA 375 N -1.96 1.85 -0.95 3.38 0.00 -0.16 -2.42 120.51 120.25 1n68 n ALA 375 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1n68 n ALA 375 Cb 0.08 -1.33 0.13 0.00 0.00 0.00 0.00 19.45 18.33 1n68 n ALA 375 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1n68 n MET 376 N -1.69 1.51 -1.74 0.00 2.81 -0.49 -0.10 117.12 117.42 1n68 n MET 376 Ca 0.04 -2.47 -0.42 0.00 -1.81 0.00 0.00 57.70 53.05 1n68 n MET 376 Cb 0.24 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.27 1n68 n MET 376 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n68 n ALA 377 N -1.31 2.57 -0.93 3.04 0.00 -1.01 -2.01 120.51 120.86 1n68 n ALA 377 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1n68 n ALA 377 Cb 0.60 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1n68 n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n68 n GLY 378 N 2.50 0.85 0.00 0.00 0.00 -1.26 -4.69 105.19 102.60 1n68 n GLY 378 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1n68 n GLY 378 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1n68 n MET 379 N -2.01 1.72 -0.20 1.61 1.56 -0.85 -4.80 117.12 114.15 1n68 n MET 379 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 1n68 n MET 379 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 1n68 n MET 379 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1n68 n ASP 403 N 0.00 0.05 -0.04 6.12 4.64 -1.26 -5.16 116.55 120.91 1n68 n ASP 403 Ca 0.00 0.04 0.13 0.00 -1.38 0.00 0.00 54.79 53.59 1n68 n ASP 403 Cb 0.00 -0.13 0.51 0.00 -1.04 0.00 0.00 41.12 40.46 1n68 n ASP 403 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 1n68 n PHE 404 N 1.36 0.00 0.35 -0.67 -1.74 -1.26 -4.13 117.46 111.37 1n68 n PHE 404 Ca 0.09 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.08 1n68 n PHE 404 Cb 0.00 -0.32 0.45 0.00 1.52 0.00 0.00 39.48 41.13 1n68 n PHE 404 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1n68 n HIS 405 N -1.33 0.62 -2.35 2.97 8.25 -1.26 -2.13 115.22 120.00 1n68 n HIS 405 Ca 0.09 0.26 0.04 0.00 -0.26 0.00 0.00 57.72 57.85 1n68 n HIS 405 Cb 0.32 -0.92 0.05 0.00 1.12 0.00 0.00 29.99 30.57 1n68 n HIS 405 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1n68 n HIS 406 N -2.08 0.05 1.14 4.41 8.25 -1.24 -4.24 115.22 121.51 1n68 n HIS 406 Ca 0.02 -0.73 0.13 0.00 -0.26 0.00 0.00 57.72 56.87 1n68 n HIS 406 Cb 0.17 -0.17 0.32 0.00 1.12 0.00 0.00 29.99 31.43 1n68 n HIS 406 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n68 n ALA 407 N 0.18 3.30 -2.72 -1.41 0.00 -0.90 -4.68 120.51 114.27 1n68 n ALA 407 Ca 0.09 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 1n68 n ALA 407 Cb 1.06 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 1n68 n ALA 407 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n68 s ASN 408 N -2.71 5.26 0.07 0.00 0.02 -0.61 -0.98 114.94 115.98 1n68 s ASN 408 Ca 0.19 0.13 -0.04 0.00 -1.02 0.00 0.00 52.86 52.11 1n68 s ASN 408 Cb 0.18 -1.54 -0.02 0.00 0.02 0.00 0.00 41.25 39.89 1n68 s ASN 408 CO 0.60 0.35 0.07 -0.54 0.02 0.00 0.00 177.10 177.60 1n68 s LYS 409 N -0.72 0.72 -0.05 -0.60 1.02 -0.13 -3.00 119.74 116.98 1n68 s LYS 409 Ca 0.11 -1.11 0.03 0.00 0.02 0.00 0.00 55.97 55.02 1n68 s LYS 409 Cb -0.12 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1n68 s LYS 409 CO 0.02 -0.18 -0.12 0.42 -0.92 0.00 0.00 175.35 174.57 1n68 s ILE 410 N -3.90 1.06 -1.52 2.17 1.01 -0.62 -1.53 121.20 117.87 1n68 s ILE 410 Ca 0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1n68 s ILE 410 Cb 0.07 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1n68 s ILE 410 CO -0.10 0.33 0.24 0.59 0.00 0.00 0.00 174.94 176.00 1n68 n ASN 411 N 3.60 0.08 0.00 3.58 3.02 -0.32 -0.76 115.26 124.46 1n68 n ASN 411 Ca -0.21 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1n68 n ASN 411 Cb 0.52 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.45 1n68 n ASN 411 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n68 n GLY 412 N -2.21 0.20 3.20 7.41 0.00 -1.26 -4.99 105.19 107.54 1n68 n GLY 412 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1n68 n GLY 412 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n68 s GLN 413 N -1.21 2.12 0.34 1.61 -0.21 0.06 -5.03 119.66 117.33 1n68 s GLN 413 Ca 0.00 -0.75 -0.28 0.00 0.02 0.00 0.00 55.36 54.35 1n68 s GLN 413 Cb 0.00 -1.83 -0.09 0.00 1.00 0.00 0.00 33.01 32.09 1n68 s GLN 413 CO 0.00 0.32 1.17 0.00 -2.12 0.00 0.00 175.29 174.66 1n68 s ALA 414 N -0.08 3.34 -0.34 6.09 0.00 -1.26 -1.60 121.76 127.91 1n68 s ALA 414 Ca -0.03 1.00 -0.45 0.00 0.00 0.00 0.00 51.96 52.49 1n68 s ALA 414 Cb -0.12 -3.38 -0.20 0.00 0.00 0.00 0.00 23.12 19.42 1n68 s ALA 414 CO 0.03 -0.40 1.45 0.34 0.00 0.00 0.00 175.76 177.18 1n68 n PHE 415 N 0.69 1.45 -3.92 0.00 7.35 -0.29 -4.96 117.46 117.79 1n68 n PHE 415 Ca 0.01 1.09 -0.34 0.00 -0.76 0.00 0.00 57.45 57.45 1n68 n PHE 415 Cb 0.45 -2.20 -0.14 0.00 0.35 0.00 0.00 39.48 37.94 1n68 n PHE 415 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1n68 s ASP 416 N 2.13 4.92 0.51 -2.13 -1.08 -1.26 -4.97 116.67 114.78 1n68 s ASP 416 Ca 1.00 -1.72 0.25 0.00 -0.52 0.00 0.00 52.55 51.56 1n68 s ASP 416 Cb -1.41 -1.71 1.38 0.00 -1.46 0.00 0.00 42.92 39.72 1n68 s ASP 416 CO 0.74 -0.36 2.07 -0.03 0.52 0.00 0.00 175.17 178.10 1n68 h MET 417 N 7.90 0.00 -0.00 4.34 1.85 -1.97 -2.47 114.93 124.57 1n68 h MET 417 Ca -0.14 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 1n68 h MET 417 Cb 1.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.07 1n68 h MET 417 CO 0.57 0.13 -0.11 0.09 -0.40 0.00 0.00 176.91 177.19 1n68 n ASN 418 N -3.79 0.23 -3.36 1.39 5.03 -1.26 -4.66 115.26 108.83 1n68 n ASN 418 Ca -0.02 -0.11 -0.20 0.00 0.87 0.00 0.00 54.58 55.12 1n68 n ASN 418 Cb 0.23 -0.20 -0.08 0.00 -1.02 0.00 0.00 39.78 38.71 1n68 n ASN 418 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1n68 s LYS 419 N -2.73 0.66 0.37 3.52 2.20 -0.93 -5.12 119.74 117.71 1n68 s LYS 419 Ca 0.22 -1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 54.50 1n68 s LYS 419 Cb 0.19 -0.86 -0.11 0.00 -1.51 0.00 0.00 37.83 35.54 1n68 s LYS 419 CO 0.52 -1.22 1.31 -2.30 -0.36 0.00 0.00 175.35 173.30 1n68 n PRO 420 N 4.05 2.13 0.11 4.03 -0.02 -1.26 -4.72 135.00 139.33 1n68 n PRO 420 Ca 0.13 0.75 -0.03 0.00 -2.02 0.00 0.00 63.50 62.33 1n68 n PRO 420 Cb 0.44 -2.39 0.13 0.00 -0.02 0.00 0.00 33.50 31.66 1n68 n PRO 420 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1n68 h MET 421 N 2.44 0.08 -2.57 -0.52 4.05 -0.57 -3.48 114.93 114.37 1n68 h MET 421 Ca -0.47 -0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.02 1n68 h MET 421 Cb 1.28 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 32.03 1n68 h MET 421 CO 0.62 0.70 0.41 -0.59 0.23 0.00 0.00 176.91 178.27 1n68 s PHE 422 N -3.59 -0.12 -0.22 1.39 -0.12 -1.26 -5.09 117.98 108.97 1n68 s PHE 422 Ca -0.02 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1n68 s PHE 422 Cb 0.12 0.67 0.03 0.00 -0.63 0.00 0.00 43.02 43.22 1n68 s PHE 422 CO 0.78 -0.99 -0.13 0.00 -0.05 0.00 0.00 175.22 174.83 1n68 s ALA 423 N -3.36 2.51 0.41 1.99 0.00 -1.26 -1.74 121.76 120.31 1n68 s ALA 423 Ca 0.13 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.58 1n68 s ALA 423 Cb -0.03 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1n68 s ALA 423 CO 0.04 -0.70 0.74 0.00 0.00 0.00 0.00 175.76 175.85 1n68 s ALA 424 N 1.26 3.40 0.28 0.00 0.00 0.14 -4.96 121.76 121.88 1n68 s ALA 424 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 1n68 s ALA 424 Cb -0.16 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 1n68 s ALA 424 CO -0.08 -0.06 0.99 0.00 0.00 0.00 0.00 175.76 176.61 1n68 s ALA 425 N -2.43 3.32 0.09 0.00 0.00 -1.26 -4.23 121.76 117.25 1n68 s ALA 425 Ca 0.49 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 1n68 s ALA 425 Cb -0.10 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1n68 s ALA 425 CO 0.35 0.07 0.85 0.21 0.00 0.00 0.00 175.76 177.23 1n68 s LYS 426 N -1.50 4.60 -0.79 0.00 2.20 -1.26 -4.11 119.74 118.89 1n68 s LYS 426 Ca 0.45 1.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1n68 s LYS 426 Cb -0.26 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1n68 s LYS 426 CO 0.33 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 176.03 1n68 n GLY 427 N 2.21 0.91 3.18 5.54 0.00 0.26 -5.00 105.19 112.29 1n68 n GLY 427 Ca -0.01 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1n68 n GLY 427 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n68 s GLN 428 N -2.33 1.17 0.29 1.61 -0.21 -1.26 -4.97 119.66 113.96 1n68 s GLN 428 Ca 0.00 -0.77 -0.29 0.00 0.02 0.00 0.00 55.36 54.32 1n68 s GLN 428 Cb 0.00 -1.20 -0.10 0.00 1.00 0.00 0.00 33.01 32.71 1n68 s GLN 428 CO 0.00 0.31 1.33 0.71 -2.12 0.00 0.00 175.29 175.52 1n68 s TYR 429 N -0.71 3.09 0.20 0.91 2.02 -1.26 -4.48 117.35 117.11 1n68 s TYR 429 Ca 0.05 1.30 0.09 0.00 -0.37 0.00 0.00 57.07 58.14 1n68 s TYR 429 Cb -0.08 -3.69 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 1n68 s TYR 429 CO 0.01 -2.01 -0.18 -1.21 -1.57 0.00 0.00 175.55 170.58 1n68 s GLU 430 N -1.20 1.37 -0.29 -0.62 2.02 0.49 -4.39 118.70 116.07 1n68 s GLU 430 Ca 0.52 -1.52 -0.06 0.00 0.02 0.00 0.00 54.97 53.93 1n68 s GLU 430 Cb -0.40 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.46 1n68 s GLU 430 CO 0.48 0.27 0.06 0.50 0.02 0.00 0.00 175.26 176.59 1n68 s ARG 431 N -3.11 3.01 -0.15 1.61 3.52 -0.09 -1.40 118.95 122.34 1n68 s ARG 431 Ca 0.20 -0.90 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1n68 s ARG 431 Cb -0.05 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1n68 s ARG 431 CO 0.08 -0.46 0.05 -1.58 -0.81 0.00 0.00 175.30 172.59 1n68 s TRP 432 N 1.47 3.27 -0.29 5.12 0.52 0.15 -0.99 118.94 128.18 1n68 s TRP 432 Ca 0.02 0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 1n68 s TRP 432 Cb -0.17 -1.99 0.05 0.00 -1.15 0.00 0.00 33.47 30.21 1n68 s TRP 432 CO 0.02 0.30 -0.02 0.08 0.02 0.00 0.00 176.95 177.34 1n68 s VAL 433 N -0.11 2.88 -0.20 4.03 1.01 0.98 -1.24 120.40 127.75 1n68 s VAL 433 Ca 0.06 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 1n68 s VAL 433 Cb -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1n68 s VAL 433 CO 0.01 -0.08 -0.10 -0.63 0.00 0.00 0.00 175.10 174.30 1n68 s ILE 434 N 1.24 2.90 -0.08 2.22 1.09 0.88 -0.38 121.20 129.07 1n68 s ILE 434 Ca -0.05 -0.66 0.03 0.00 -1.10 0.00 0.00 60.65 58.87 1n68 s ILE 434 Cb -0.20 -2.28 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 1n68 s ILE 434 CO -0.02 0.47 -0.17 -0.55 -0.10 0.00 0.00 174.94 174.58 1n68 s SER 435 N 1.31 3.76 -0.02 3.58 0.15 -0.33 -0.37 113.70 121.77 1n68 s SER 435 Ca 0.04 -0.33 0.12 0.00 0.70 0.00 0.00 55.95 56.48 1n68 s SER 435 Cb -0.14 -1.15 0.37 0.00 -1.71 0.00 0.00 66.02 63.38 1n68 s SER 435 CO -0.06 0.25 1.30 0.61 1.20 0.00 0.00 173.24 176.54 1n68 n GLY 436 N 2.96 2.87 3.67 9.45 0.00 -0.12 -0.13 105.19 123.89 1n68 n GLY 436 Ca -0.18 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 1n68 n GLY 436 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n68 n VAL 437 N 0.52 0.48 -0.25 1.61 0.31 -1.24 -1.57 118.33 118.19 1n68 n VAL 437 Ca 0.14 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1n68 n VAL 437 Cb 0.50 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1n68 n VAL 437 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n68 n GLY 438 N 2.76 0.70 2.95 2.92 0.00 -1.26 -4.93 105.19 108.33 1n68 n GLY 438 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1n68 n GLY 438 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n68 s ASP 439 N -2.70 0.21 0.00 1.61 2.15 -0.61 -4.94 116.67 112.40 1n68 s ASP 439 Ca 0.00 -0.31 0.21 0.00 0.43 0.00 0.00 52.55 52.88 1n68 s ASP 439 Cb 0.00 0.05 -0.18 0.00 -0.30 0.00 0.00 42.92 42.49 1n68 s ASP 439 CO 0.00 -0.17 0.93 0.23 -0.17 0.00 0.00 175.17 175.99 1n68 n MET 440 N 2.18 0.33 -2.04 4.34 2.81 -1.26 -3.47 117.12 120.01 1n68 n MET 440 Ca -0.19 -0.20 -0.30 0.00 -1.81 0.00 0.00 57.70 55.20 1n68 n MET 440 Cb 0.57 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.62 1n68 n MET 440 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1n68 s MET 441 N -2.87 3.36 -0.08 0.03 -1.94 -1.26 -4.84 119.30 111.70 1n68 s MET 441 Ca 0.10 0.53 -0.22 0.00 -1.71 0.00 0.00 55.69 54.40 1n68 s MET 441 Cb 0.16 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 1n68 s MET 441 CO 0.80 -0.64 0.62 -1.17 -0.01 0.00 0.00 175.02 174.63 1n68 s LEU 442 N -5.14 4.31 -0.34 -0.03 2.96 -1.26 -4.39 118.68 114.80 1n68 s LEU 442 Ca 0.54 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.54 1n68 s LEU 442 Cb -0.11 -2.95 0.11 0.00 0.50 0.00 0.00 46.19 43.74 1n68 s LEU 442 CO 0.51 -0.06 0.11 -1.00 -1.32 0.00 0.00 176.35 174.59 1n68 s HIS 443 N 0.65 2.20 -0.48 5.38 3.76 0.40 -4.85 115.29 122.35 1n68 s HIS 443 Ca 0.33 -2.12 -0.28 0.00 -0.15 0.00 0.00 55.06 52.84 1n68 s HIS 443 Cb -0.17 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.51 1n68 s HIS 443 CO 0.16 -0.88 1.53 -2.14 -0.85 0.00 0.00 174.74 172.56 1n68 s PRO 444 N 1.26 3.31 -0.18 8.40 0.02 -1.26 -1.24 135.00 145.31 1n68 s PRO 444 Ca 0.11 0.79 -0.20 0.00 0.02 0.00 0.00 61.00 61.72 1n68 s PRO 444 Cb -0.19 -4.14 -0.03 0.00 0.02 0.00 0.00 34.50 30.17 1n68 s PRO 444 CO -0.18 -1.90 0.60 0.12 -0.33 0.00 0.00 177.00 175.32 1n68 s PHE 445 N 6.35 3.40 -0.04 6.54 5.36 0.52 -0.63 117.98 139.48 1n68 s PHE 445 Ca 0.61 0.93 0.06 0.00 -0.96 0.00 0.00 56.93 57.57 1n68 s PHE 445 Cb -0.14 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.77 1n68 s PHE 445 CO 0.28 -0.11 -0.23 -1.58 -1.46 0.00 0.00 175.22 172.13 1n68 s HIS 446 N 1.66 2.47 -0.12 10.12 5.65 0.23 -0.87 115.29 134.42 1n68 s HIS 446 Ca 0.28 -0.48 0.03 0.00 0.25 0.00 0.00 55.06 55.14 1n68 s HIS 446 Cb -0.16 -1.58 0.01 0.00 -1.18 0.00 0.00 32.58 29.68 1n68 s HIS 446 CO 0.11 -0.05 -0.20 0.42 -0.65 0.00 0.00 174.74 174.36 1n68 s ILE 447 N -0.45 1.89 0.63 0.89 1.01 -1.08 -1.11 121.20 122.98 1n68 s ILE 447 Ca 0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1n68 s ILE 447 Cb -0.12 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1n68 s ILE 447 CO 0.01 0.52 1.08 -1.00 0.00 0.00 0.00 174.94 175.55 1n68 s HIS 448 N 0.75 2.87 0.00 3.97 3.76 -0.50 -4.22 115.29 121.91 1n68 s HIS 448 Ca -0.10 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 1n68 s HIS 448 Cb -0.16 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.49 1n68 s HIS 448 CO 0.01 -1.34 0.00 0.41 -0.85 0.00 0.00 174.74 172.97 1n68 n GLY 449 N -0.96 0.48 3.48 -2.22 0.00 -1.26 -4.84 105.19 99.87 1n68 n GLY 449 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1n68 n GLY 449 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n68 s THR 450 N -2.00 0.01 -0.16 2.61 -1.32 -1.26 -4.52 115.64 109.00 1n68 s THR 450 Ca 0.00 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1n68 s THR 450 Cb 0.00 -1.24 0.02 0.00 -1.51 0.00 0.00 72.50 69.77 1n68 s THR 450 CO 0.00 -0.05 -0.15 -1.10 -2.21 0.00 0.00 174.62 171.11 1n68 s GLN 451 N -3.80 2.37 0.54 7.08 -1.52 -1.26 -4.75 119.66 118.32 1n68 s GLN 451 Ca 0.04 -0.63 0.05 0.00 -1.95 0.00 0.00 55.36 52.87 1n68 s GLN 451 Cb -0.01 -2.21 0.03 0.00 -0.22 0.00 0.00 33.01 30.60 1n68 s GLN 451 CO -0.09 -0.26 0.37 -0.59 -0.25 0.00 0.00 175.29 174.48 1n68 s PHE 452 N 1.45 1.67 -0.13 0.91 -0.12 0.23 -4.74 117.98 117.24 1n68 s PHE 452 Ca 0.04 -0.84 -0.01 0.00 -0.05 0.00 0.00 56.93 56.07 1n68 s PHE 452 Cb -0.13 -1.89 -0.02 0.00 -0.63 0.00 0.00 43.02 40.34 1n68 s PHE 452 CO -0.11 -0.40 -0.10 1.03 -0.05 0.00 0.00 175.22 175.59 1n68 s ARG 453 N -4.24 3.37 -0.16 1.99 1.81 -0.69 -0.70 118.95 120.33 1n68 s ARG 453 Ca 0.32 -0.62 -0.27 0.00 -1.72 0.00 0.00 55.73 53.44 1n68 s ARG 453 Cb -0.02 -2.70 -0.01 0.00 -0.45 0.00 0.00 34.95 31.77 1n68 s ARG 453 CO 0.20 0.29 0.90 0.42 -0.68 0.00 0.00 175.30 176.42 1n68 s ILE 454 N 0.19 4.83 -0.13 1.52 1.01 -1.26 -0.30 121.20 127.06 1n68 s ILE 454 Ca -0.06 1.78 -0.19 0.00 0.00 0.00 0.00 60.65 62.18 1n68 s ILE 454 Cb -0.15 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 37.87 1n68 s ILE 454 CO 0.04 -0.00 0.54 -0.07 0.00 0.00 0.00 174.94 175.45 1n68 h LEU 455 N 8.37 0.24 -7.33 2.97 3.38 -1.19 -3.44 115.31 118.31 1n68 h LEU 455 Ca -0.29 -0.81 -0.23 0.00 0.09 0.00 0.00 57.88 56.65 1n68 h LEU 455 Cb 1.13 -0.08 -0.32 0.00 0.09 0.00 0.00 40.66 41.48 1n68 h LEU 455 CO 0.86 1.48 -0.54 -0.55 0.09 0.00 0.00 178.44 179.77 1n68 s SER 456 N -6.86 0.03 -0.41 -0.43 0.15 -0.81 -4.48 113.70 100.88 1n68 s SER 456 Ca -0.21 0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.80 1n68 s SER 456 Cb 0.03 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.80 1n68 s SER 456 CO 0.72 -0.19 0.24 -0.70 1.20 0.00 0.00 173.24 174.52 1n68 s GLU 457 N 1.58 2.56 -1.49 5.44 2.12 0.18 -0.90 118.70 128.19 1n68 s GLU 457 Ca -0.06 -1.46 -0.08 0.00 0.36 0.00 0.00 54.97 53.73 1n68 s GLU 457 Cb -0.11 -3.74 0.06 0.00 0.26 0.00 0.00 34.13 30.60 1n68 s GLU 457 CO -0.07 -0.94 0.71 -1.71 -0.54 0.00 0.00 175.26 172.70 1n68 n ASN 458 N 4.89 -2.37 0.00 -1.70 5.15 -1.20 -2.38 115.26 117.64 1n68 n ASN 458 Ca -0.10 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 1n68 n ASN 458 Cb 0.43 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.28 1n68 n ASN 458 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n68 n GLY 459 N -1.70 0.57 3.15 8.20 0.00 0.08 -4.58 105.19 110.92 1n68 n GLY 459 Ca -0.12 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1n68 n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n68 s LYS 460 N -1.32 0.55 0.50 1.61 2.20 -1.00 -5.05 119.74 117.23 1n68 s LYS 460 Ca 0.00 -0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.04 1n68 s LYS 460 Cb 0.00 0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 36.49 1n68 s LYS 460 CO 0.00 -0.14 1.30 -2.30 -0.36 0.00 0.00 175.35 173.85 1n68 n PRO 461 N 1.36 1.77 -2.40 4.03 -0.02 -1.26 0.49 135.00 138.96 1n68 n PRO 461 Ca -0.22 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1n68 n PRO 461 Cb 0.56 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1n68 n PRO 461 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1n68 s PRO 462 N -2.58 3.82 0.66 0.52 0.04 -1.26 -4.71 135.00 131.49 1n68 s PRO 462 Ca 0.67 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 63.13 1n68 s PRO 462 Cb -0.45 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1n68 s PRO 462 CO 0.53 -0.45 0.93 0.00 0.04 0.00 0.00 177.00 178.05 1n68 n ALA 463 N -0.59 -0.09 -0.35 8.56 0.00 -1.26 -4.73 120.51 122.06 1n68 n ALA 463 Ca 0.08 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1n68 n ALA 463 Cb 0.50 -2.09 0.31 0.00 0.00 0.00 0.00 19.45 18.16 1n68 n ALA 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n68 h ALA 464 N 0.14 1.66 0.00 0.00 0.00 -1.99 0.17 119.26 119.24 1n68 h ALA 464 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1n68 h ALA 464 Cb 1.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n68 h ALA 464 CO 0.49 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.37 1n68 n HIS 465 N -4.68 0.00 -0.04 0.00 1.44 -1.26 -2.62 115.22 108.06 1n68 n HIS 465 Ca 0.21 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.97 1n68 n HIS 465 Cb 0.49 -0.23 0.11 0.00 0.12 0.00 0.00 29.99 30.48 1n68 n HIS 465 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1n68 n ARG 466 N -1.23 2.36 -0.01 -1.40 1.74 0.52 -4.61 116.66 114.03 1n68 n ARG 466 Ca 0.16 -1.79 0.13 0.00 -0.77 0.00 0.00 57.85 55.58 1n68 n ARG 466 Cb 0.21 -1.22 0.43 0.00 -1.02 0.00 0.00 32.46 30.86 1n68 n ARG 466 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n68 n ALA 467 N 0.42 2.55 -1.80 7.54 0.00 -0.82 -4.66 120.51 123.74 1n68 n ALA 467 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1n68 n ALA 467 Cb 0.37 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1n68 n ALA 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n68 n GLY 468 N 1.21 1.40 3.66 0.00 0.00 -1.26 -4.73 105.19 105.48 1n68 n GLY 468 Ca 0.18 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1n68 n GLY 468 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n68 s TRP 469 N 3.78 3.39 0.07 1.61 0.52 -1.26 -4.46 118.94 122.59 1n68 s TRP 469 Ca 0.00 1.14 0.03 0.00 0.02 0.00 0.00 56.10 57.28 1n68 s TRP 469 Cb 0.00 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.34 1n68 s TRP 469 CO 0.00 -0.24 -0.08 0.15 0.02 0.00 0.00 176.95 176.80 1n68 s LYS 470 N 2.16 0.69 0.00 4.98 -0.14 0.12 -1.55 119.74 125.99 1n68 s LYS 470 Ca 0.35 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 1n68 s LYS 470 Cb -0.16 -0.36 0.00 0.00 -1.68 0.00 0.00 37.83 35.63 1n68 s LYS 470 CO 0.11 0.05 0.67 -0.40 -0.76 0.00 0.00 175.35 175.02 1n68 n ASP 471 N 0.90 1.33 -3.97 2.83 5.68 -1.26 0.74 116.55 122.80 1n68 n ASP 471 Ca -0.19 -1.36 -0.13 0.00 -0.50 0.00 0.00 54.79 52.61 1n68 n ASP 471 Cb 0.57 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.42 1n68 n ASP 471 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1n68 s THR 472 N -0.36 0.31 -0.01 2.12 2.01 -1.26 -2.64 115.64 115.82 1n68 s THR 472 Ca 0.00 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1n68 s THR 472 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1n68 s THR 472 CO 0.00 -0.16 0.01 0.54 -0.69 0.00 0.00 174.62 174.32 1n68 s VAL 473 N -0.70 -0.01 0.18 3.82 0.11 -0.05 -4.93 120.40 118.82 1n68 s VAL 473 Ca -0.05 0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1n68 s VAL 473 Cb -0.05 -0.04 -0.09 0.00 -1.53 0.00 0.00 36.38 34.67 1n68 s VAL 473 CO -0.00 0.03 1.39 -0.75 -3.33 0.00 0.00 175.10 172.44 1n68 s LYS 474 N 0.32 4.32 -0.15 1.54 2.20 -1.26 -0.36 119.74 126.36 1n68 s LYS 474 Ca -0.03 2.15 -0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1n68 s LYS 474 Cb -0.04 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1n68 s LYS 474 CO -0.01 -0.39 -0.09 0.08 -0.36 0.00 0.00 175.35 174.59 1n68 s VAL 475 N 0.52 1.25 -0.39 4.02 1.01 -0.37 -3.66 120.40 122.79 1n68 s VAL 475 Ca 0.61 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1n68 s VAL 475 Cb -0.39 -1.31 0.17 0.00 0.00 0.00 0.00 36.38 34.85 1n68 s VAL 475 CO 0.36 0.28 0.47 -0.70 0.00 0.00 0.00 175.10 175.51 1n68 s GLU 476 N 1.59 0.73 0.00 2.72 2.12 -1.26 -0.45 118.70 124.15 1n68 s GLU 476 Ca 0.03 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1n68 s GLU 476 Cb -0.14 -0.46 0.00 0.00 0.26 0.00 0.00 34.13 33.79 1n68 s GLU 476 CO -0.09 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 1n68 n GLY 477 N 4.17 0.53 0.00 -1.50 0.00 -1.21 -4.93 105.19 102.25 1n68 n GLY 477 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1n68 n GLY 477 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n68 n ASN 478 N -0.13 0.00 -4.23 1.61 2.85 -1.26 -4.17 115.26 109.92 1n68 n ASN 478 Ca 0.00 -0.60 -0.32 0.00 -0.11 0.00 0.00 54.58 53.55 1n68 n ASN 478 Cb 0.07 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 40.92 1n68 n ASN 478 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1n68 s VAL 479 N -1.60 2.05 0.10 3.44 1.01 -1.26 -0.95 120.40 123.19 1n68 s VAL 479 Ca 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1n68 s VAL 479 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1n68 s VAL 479 CO 0.00 0.56 -0.03 -0.44 0.00 0.00 0.00 175.10 175.19 1n68 s SER 480 N 0.17 4.84 -0.02 3.32 0.01 0.50 -0.74 113.70 121.78 1n68 s SER 480 Ca -0.14 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1n68 s SER 480 Cb -0.17 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 64.99 1n68 s SER 480 CO 0.07 0.17 -0.04 -1.61 0.41 0.00 0.00 173.24 172.24 1n68 s GLU 481 N -2.32 0.55 0.08 12.44 2.02 -0.08 -0.09 118.70 131.31 1n68 s GLU 481 Ca 0.25 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.18 1n68 s GLU 481 Cb -0.11 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 1n68 s GLU 481 CO 0.17 -0.01 -0.12 0.14 0.02 0.00 0.00 175.26 175.46 1n68 s VAL 482 N 0.50 1.01 -0.33 2.63 -7.23 -0.37 -0.59 120.40 116.03 1n68 s VAL 482 Ca -0.06 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 1n68 s VAL 482 Cb -0.09 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.71 1n68 s VAL 482 CO -0.00 -0.37 0.12 -0.22 -0.31 0.00 0.00 175.10 174.31 1n68 s LEU 483 N -2.03 4.20 0.09 1.32 2.96 0.59 -0.67 118.68 125.14 1n68 s LEU 483 Ca 0.01 -0.89 0.10 0.00 -0.22 0.00 0.00 54.13 53.13 1n68 s LEU 483 Cb -0.07 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1n68 s LEU 483 CO 0.01 -0.28 -0.26 0.54 -1.32 0.00 0.00 176.35 175.05 1n68 s VAL 484 N 1.49 2.26 -0.04 1.68 0.11 -0.49 -1.70 120.40 123.72 1n68 s VAL 484 Ca 0.01 -1.58 -0.02 0.00 -2.93 0.00 0.00 61.98 57.47 1n68 s VAL 484 Cb -0.18 -1.95 0.03 0.00 -1.53 0.00 0.00 36.38 32.74 1n68 s VAL 484 CO 0.04 0.21 0.08 -0.75 -3.33 0.00 0.00 175.10 171.34 1n68 s LYS 485 N -1.71 0.04 -0.23 1.54 2.20 -1.26 -0.38 119.74 119.93 1n68 s LYS 485 Ca 0.13 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.91 1n68 s LYS 485 Cb -0.10 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.06 1n68 s LYS 485 CO 0.05 -0.12 -0.00 -0.06 -0.36 0.00 0.00 175.35 174.85 1n68 s PHE 486 N 0.80 3.01 -2.63 4.03 0.08 -1.26 -4.62 117.98 117.39 1n68 s PHE 486 Ca -0.06 -0.83 0.23 0.00 0.12 0.00 0.00 56.93 56.39 1n68 s PHE 486 Cb -0.09 -2.15 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 1n68 s PHE 486 CO -0.03 -0.51 1.19 0.09 -0.10 0.00 0.00 175.22 175.86 1n68 n ASN 487 N 4.83 2.65 -4.25 1.36 5.03 -1.26 0.89 115.26 124.51 1n68 n ASN 487 Ca -0.17 -1.82 -0.18 0.00 0.87 0.00 0.00 54.58 53.27 1n68 n ASN 487 Cb 0.51 0.16 -0.11 0.00 -1.02 0.00 0.00 39.78 39.32 1n68 n ASN 487 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1n68 s HIS 488 N -2.14 1.44 0.59 3.10 3.76 -1.26 -4.87 115.29 115.91 1n68 s HIS 488 Ca 0.24 -0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1n68 s HIS 488 Cb 0.19 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 33.09 1n68 s HIS 488 CO 0.39 0.16 0.99 -0.51 -0.85 0.00 0.00 174.74 174.92 1n68 s ASP 489 N -2.46 6.27 -0.18 1.40 1.01 -1.26 -4.80 116.67 116.65 1n68 s ASP 489 Ca 0.09 1.35 -0.04 0.00 0.71 0.00 0.00 52.55 54.66 1n68 s ASP 489 Cb -0.05 -2.44 0.09 0.00 1.01 0.00 0.00 42.92 41.53 1n68 s ASP 489 CO 0.03 -0.80 0.30 0.00 0.21 0.00 0.00 175.17 174.92 1n68 s ALA 490 N -3.07 -0.70 0.66 5.23 0.00 -1.26 -1.19 121.76 121.42 1n68 s ALA 490 Ca 0.54 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 1n68 s ALA 490 Cb -0.11 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.77 1n68 s ALA 490 CO 0.51 -0.92 0.98 -1.25 0.00 0.00 0.00 175.76 175.08 1n68 s PRO 491 N 2.46 2.60 0.44 0.00 0.04 -1.25 -0.56 135.00 138.73 1n68 s PRO 491 Ca 0.05 -0.03 0.17 0.00 0.04 0.00 0.00 61.00 61.23 1n68 s PRO 491 Cb -0.14 -2.19 1.10 0.00 0.04 0.00 0.00 34.50 33.31 1n68 s PRO 491 CO -0.12 -0.98 1.91 -0.22 0.04 0.00 0.00 177.00 177.63 1n68 h LYS 492 N -0.43 0.36 0.00 4.56 3.64 -1.98 -0.26 116.57 122.45 1n68 h LYS 492 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1n68 h LYS 492 Cb 1.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1n68 h LYS 492 CO 0.61 0.24 0.00 0.93 -2.27 0.00 0.00 179.45 178.96 1n68 h GLU 493 N 0.37 0.00 -1.24 1.90 3.07 -1.96 -3.33 114.58 113.39 1n68 h GLU 493 Ca 0.38 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.85 1n68 h GLU 493 Cb 0.96 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.56 1n68 h GLU 493 CO -0.12 0.00 -0.91 0.72 -1.40 0.00 0.00 179.01 177.30 1n68 n HIS 494 N -2.57 -1.05 -1.81 4.33 8.25 -0.22 -4.85 115.22 117.29 1n68 n HIS 494 Ca 0.04 -3.14 -0.32 0.00 -0.26 0.00 0.00 57.72 54.04 1n68 n HIS 494 Cb 0.39 0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.89 1n68 n HIS 494 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n68 s ALA 495 N -1.28 2.74 0.54 -1.41 0.00 -0.53 -3.92 121.76 117.91 1n68 s ALA 495 Ca 0.33 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1n68 s ALA 495 Cb 0.31 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 1n68 s ALA 495 CO -0.08 -0.99 1.03 0.71 0.00 0.00 0.00 175.76 176.43 1n68 s TYR 496 N -2.79 3.14 0.09 0.00 2.02 0.12 -4.82 117.35 115.11 1n68 s TYR 496 Ca 0.60 1.52 0.04 0.00 -0.37 0.00 0.00 57.07 58.86 1n68 s TYR 496 Cb -0.14 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1n68 s TYR 496 CO 0.46 -0.79 0.03 -1.64 -1.57 0.00 0.00 175.55 172.04 1n68 s MET 497 N -3.85 2.66 -0.07 -0.62 -1.94 -1.26 -0.92 119.30 113.30 1n68 s MET 497 Ca 0.63 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 1n68 s MET 497 Cb -0.14 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.13 1n68 s MET 497 CO 0.30 0.54 -0.05 0.00 -0.01 0.00 0.00 175.02 175.80 1n68 s ALA 498 N -1.37 0.96 0.10 3.03 0.00 -0.28 -1.42 121.76 122.79 1n68 s ALA 498 Ca 0.27 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 1n68 s ALA 498 Cb -0.12 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.42 1n68 s ALA 498 CO 0.20 -0.21 0.81 -3.38 0.00 0.00 0.00 175.76 173.18 1n68 s HIS 499 N 1.35 -0.33 0.25 0.00 -3.43 -0.27 -0.96 115.29 111.89 1n68 s HIS 499 Ca -0.03 0.10 -0.30 0.00 -0.80 0.00 0.00 55.06 54.03 1n68 s HIS 499 Cb -0.14 0.59 -0.10 0.00 -1.43 0.00 0.00 32.58 31.50 1n68 s HIS 499 CO -0.03 -0.76 1.36 0.00 -2.00 0.00 0.00 174.74 173.31 1n68 n HIS 501 N 2.13 1.19 -2.30 0.00 -0.00 0.20 -4.13 115.22 112.31 1n68 n HIS 501 Ca 0.05 -0.50 -0.41 0.00 0.46 0.00 0.00 57.72 57.32 1n68 n HIS 501 Cb 0.41 -0.16 -0.03 0.00 -0.12 0.00 0.00 29.99 30.09 1n68 n HIS 501 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1n68 s LEU 502 N -1.49 3.36 0.40 0.27 0.20 -1.26 -4.78 118.68 115.37 1n68 s LEU 502 Ca 0.44 0.30 0.07 0.00 0.69 0.00 0.00 54.13 55.63 1n68 s LEU 502 Cb 0.27 -2.92 0.81 0.00 -0.43 0.00 0.00 46.19 43.92 1n68 s LEU 502 CO 0.24 -1.87 2.01 -0.07 -0.29 0.00 0.00 176.35 176.36 1n68 h LEU 503 N 13.86 0.42 -1.44 -0.68 3.38 -1.39 0.14 115.31 129.61 1n68 h LEU 503 Ca -0.27 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1n68 h LEU 503 Cb 1.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1n68 h LEU 503 CO 1.19 0.38 -0.25 -0.33 0.09 0.00 0.00 178.44 179.51 1n68 h GLU 504 N 0.47 0.00 -0.00 1.13 3.07 -1.85 -0.15 114.58 117.25 1n68 h GLU 504 Ca 0.12 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1n68 h GLU 504 Cb 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1n68 h GLU 504 CO -0.01 0.25 -0.00 0.45 -1.40 0.00 0.00 179.01 178.30 1n68 h HIS 505 N 0.00 0.01 -0.62 4.33 3.86 -0.97 -2.85 115.15 118.90 1n68 h HIS 505 Ca -0.00 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 1n68 h HIS 505 Cb 0.58 -0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.95 1n68 h HIS 505 CO 0.00 0.44 0.02 1.49 0.86 0.00 0.00 177.93 180.74 1n68 h GLU 506 N -0.43 0.13 0.00 2.45 4.81 -1.11 -1.29 114.58 119.14 1n68 h GLU 506 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1n68 h GLU 506 Cb 0.44 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1n68 h GLU 506 CO 0.00 0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 178.12 1n68 n ASP 507 N -5.26 0.30 -0.40 1.04 8.00 -0.10 -2.49 116.55 117.63 1n68 n ASP 507 Ca 0.09 0.55 0.07 0.00 0.71 0.00 0.00 54.79 56.22 1n68 n ASP 507 Cb 0.36 -0.63 0.17 0.00 -0.02 0.00 0.00 41.12 41.01 1n68 n ASP 507 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1n68 n THR 508 N -1.81 1.99 0.00 -3.53 -2.24 -0.68 -4.48 114.28 103.53 1n68 n THR 508 Ca 0.04 -2.74 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 1n68 n THR 508 Cb 0.26 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1n68 n THR 508 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n68 n GLY 509 N -1.19 1.55 2.57 3.38 0.00 -0.96 -1.57 105.19 108.97 1n68 n GLY 509 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1n68 n GLY 509 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1n68 n MET 510 N 0.00 3.49 -3.64 1.61 0.00 -0.57 -1.13 117.12 116.87 1n68 n MET 510 Ca 0.00 -2.71 -0.15 0.00 -0.00 0.00 0.00 57.70 54.83 1n68 n MET 510 Cb 0.00 -2.98 -0.08 0.00 0.00 0.00 0.00 33.22 30.16 1n68 n MET 510 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1n68 s MET 511 N 1.86 0.82 0.13 2.12 0.00 -1.26 -2.46 119.30 120.51 1n68 s MET 511 Ca 0.55 0.27 0.06 0.00 0.00 0.00 0.00 55.69 56.56 1n68 s MET 511 Cb 0.15 0.38 -0.04 0.00 0.00 0.00 0.00 34.83 35.33 1n68 s MET 511 CO -0.07 -0.21 -0.13 -0.48 0.00 0.00 0.00 175.02 174.13 1n68 s LEU 512 N -0.80 2.43 0.04 4.11 0.05 -0.14 -3.43 118.68 120.94 1n68 s LEU 512 Ca -0.09 -0.84 -0.06 0.00 0.05 0.00 0.00 54.13 53.19 1n68 s LEU 512 Cb -0.03 -0.52 -0.05 0.00 -2.05 0.00 0.00 46.19 43.54 1n68 s LEU 512 CO 0.06 -0.17 0.29 -0.83 -0.55 0.00 0.00 176.35 175.14 1n68 s GLY 513 N -2.58 2.25 0.02 -3.48 0.00 -1.26 -1.13 107.32 101.14 1n68 s GLY 513 Ca 0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.20 1n68 s GLY 513 CO 0.03 -0.44 0.04 -0.11 0.00 0.00 0.00 173.10 172.62 1n68 s PHE 514 N -1.39 0.20 0.28 1.90 -0.71 -0.09 0.24 117.98 118.40 1n68 s PHE 514 Ca 0.31 -0.43 0.06 0.00 -1.04 0.00 0.00 56.93 55.83 1n68 s PHE 514 Cb -0.13 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1n68 s PHE 514 CO 0.19 -0.25 0.32 0.95 -1.34 0.00 0.00 175.22 175.09 1n68 s THR 515 N -1.71 4.50 0.00 -4.49 -4.23 -0.71 -0.70 115.64 108.30 1n68 s THR 515 Ca -0.13 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1n68 s THR 515 Cb -0.07 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1n68 s THR 515 CO -0.01 -0.27 0.26 0.52 -0.54 0.00 0.00 174.62 174.57