#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hre s THR 26 N 0.00 1.61 0.78 1.69 2.01 -1.26 -5.12 115.64 115.36 3hre s THR 26 Ca 0.00 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 3hre s THR 26 Cb 0.00 -1.65 0.09 0.00 0.01 0.00 0.00 72.50 70.95 3hre s THR 26 CO 0.00 0.24 1.12 -0.94 -0.69 0.00 0.00 174.62 174.35 3hre s SER 27 N 1.42 4.42 0.21 3.53 1.04 -1.26 -4.88 113.70 118.19 3hre s SER 27 Ca 0.00 0.50 -0.09 0.00 0.48 0.00 0.00 55.95 56.84 3hre s SER 27 Cb -0.15 -0.99 0.17 0.00 0.10 0.00 0.00 66.02 65.15 3hre s SER 27 CO -0.09 -1.89 1.85 0.00 0.98 0.00 0.00 173.24 174.09 3hre h ALA 28 N -0.92 1.02 -0.39 5.32 0.00 -2.00 -0.42 119.26 121.87 3hre h ALA 28 Ca -0.45 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3hre h ALA 28 Cb 1.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hre h ALA 28 CO 0.58 0.50 0.07 0.28 0.00 0.00 0.00 179.25 180.67 3hre h VAL 29 N 1.10 1.24 -0.60 0.00 2.07 -1.95 -1.53 116.25 116.58 3hre h VAL 29 Ca 0.28 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3hre h VAL 29 Cb -0.02 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3hre h VAL 29 CO -0.05 0.29 0.25 1.56 0.02 0.00 0.00 177.57 179.64 3hre h GLN 30 N 0.50 0.87 -0.65 1.57 4.20 -1.82 -0.89 115.11 118.88 3hre h GLN 30 Ca 0.12 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3hre h GLN 30 Cb 0.36 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3hre h GLN 30 CO 0.01 0.70 0.08 1.96 -0.67 0.00 0.00 178.83 180.91 3hre h GLN 31 N 0.86 1.09 -0.56 1.46 4.20 -0.76 -0.80 115.11 120.59 3hre h GLN 31 Ca 0.21 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3hre h GLN 31 Cb 0.15 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3hre h GLN 31 CO -0.02 1.01 0.06 0.87 -0.67 0.00 0.00 178.83 180.08 3hre h LYS 32 N 1.01 0.95 -0.42 1.46 1.57 -0.81 -1.19 116.57 119.14 3hre h LYS 32 Ca 0.20 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3hre h LYS 32 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3hre h LYS 32 CO 0.02 0.92 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.72 3hre h LEU 33 N 0.83 0.66 -0.73 2.94 3.38 -0.94 -0.40 115.31 121.05 3hre h LEU 33 Ca 0.17 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hre h LEU 33 Cb 0.46 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hre h LEU 33 CO 0.02 0.75 -0.06 0.00 0.09 0.00 0.00 178.44 179.24 3hre h ALA 34 N 1.32 0.93 -0.57 1.53 0.00 -0.76 -0.23 119.26 121.48 3hre h ALA 34 Ca 0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3hre h ALA 34 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hre h ALA 34 CO 0.02 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.84 3hre h ALA 35 N 1.10 0.77 -0.34 0.00 0.00 -0.74 0.22 119.26 120.28 3hre h ALA 35 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3hre h ALA 35 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hre h ALA 35 CO 0.03 0.66 0.13 1.25 0.00 0.00 0.00 179.25 181.32 3hre h LEU 36 N 0.94 0.47 -0.33 0.00 5.85 -0.83 -2.45 115.31 118.95 3hre h LEU 36 Ca 0.15 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hre h LEU 36 Cb 0.63 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3hre h LEU 36 CO 0.04 0.52 0.21 -0.08 -0.34 0.00 0.00 178.44 178.80 3hre h GLU 37 N 0.39 0.43 -0.58 1.25 4.81 -0.77 -2.04 114.58 118.07 3hre h GLU 37 Ca 0.11 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3hre h GLU 37 Cb 0.20 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 3hre h GLU 37 CO -0.01 0.29 0.28 -0.22 -0.73 0.00 0.00 179.01 178.62 3hre h LYS 38 N 0.44 0.50 0.00 1.92 3.64 -0.77 -2.02 116.57 120.29 3hre h LYS 38 Ca 0.12 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3hre h LYS 38 Cb -0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3hre h LYS 38 CO -0.03 0.33 -0.33 0.66 -2.27 0.00 0.00 179.45 177.81 3hre h SER 39 N 0.52 0.00 0.87 4.20 4.64 -1.25 -3.09 113.55 119.45 3hre h SER 39 Ca 0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 3hre h SER 39 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3hre h SER 39 CO -0.21 0.33 -0.51 0.77 -0.87 0.00 0.00 176.83 176.34 3hre h SER 40 N 0.00 0.00 0.00 4.97 4.64 -0.65 -3.47 113.55 119.04 3hre h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hre h SER 40 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3hre h SER 40 CO 0.04 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 3hre n GLY 41 N 0.46 1.72 0.00 -0.77 0.00 -0.99 -5.00 105.19 100.61 3hre n GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hre n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hre n GLY 42 N -2.00 3.74 3.04 -0.02 0.00 -1.26 -4.69 105.19 104.00 3hre n GLY 42 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 3hre n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hre s ARG 43 N 2.61 2.22 -0.09 1.61 3.52 0.12 -4.82 118.95 124.12 3hre s ARG 43 Ca 0.00 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3hre s ARG 43 Cb 0.00 -1.95 -0.02 0.00 -1.56 0.00 0.00 34.95 31.42 3hre s ARG 43 CO 0.00 -0.13 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.09 3hre s LEU 44 N 1.17 2.94 -0.08 -0.88 2.96 -1.26 -1.52 118.68 122.01 3hre s LEU 44 Ca -0.02 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3hre s LEU 44 Cb -0.14 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.92 3hre s LEU 44 CO -0.05 0.28 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.30 3hre s GLY 45 N -0.30 0.89 0.00 7.98 0.00 0.47 -4.56 107.32 111.79 3hre s GLY 45 Ca 0.03 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.25 3hre s GLY 45 CO 0.03 0.17 -0.08 0.14 0.00 0.00 0.00 173.10 173.36 3hre s VAL 46 N 0.80 0.61 -0.10 1.40 1.01 0.23 -0.30 120.40 124.03 3hre s VAL 46 Ca -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3hre s VAL 46 Cb -0.16 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.75 3hre s VAL 46 CO 0.02 0.11 0.20 0.00 0.00 0.00 0.00 175.10 175.43 3hre s ALA 47 N -0.31 -0.33 -0.04 5.51 0.00 -0.65 -0.80 121.76 125.14 3hre s ALA 47 Ca 0.02 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3hre s ALA 47 Cb -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3hre s ALA 47 CO -0.00 -0.58 -0.20 -1.17 0.00 0.00 0.00 175.76 173.81 3hre s LEU 48 N 2.29 2.41 -0.14 0.00 2.96 0.32 -0.80 118.68 125.73 3hre s LEU 48 Ca 0.02 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3hre s LEU 48 Cb -0.12 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.14 3hre s LEU 48 CO -0.07 0.33 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.54 3hre s ILE 49 N -0.64 1.39 -0.39 6.68 1.01 0.02 -1.72 121.20 127.55 3hre s ILE 49 Ca 0.10 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 3hre s ILE 49 Cb -0.11 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.03 3hre s ILE 49 CO 0.00 0.42 0.34 -0.62 0.00 0.00 0.00 174.94 175.08 3hre s ASP 50 N 1.56 6.14 0.00 3.58 -1.08 -0.31 -1.07 116.67 125.48 3hre s ASP 50 Ca 0.05 -0.68 0.19 0.00 -0.52 0.00 0.00 52.55 51.59 3hre s ASP 50 Cb -0.13 -2.18 1.11 0.00 -1.46 0.00 0.00 42.92 40.26 3hre s ASP 50 CO -0.10 -0.44 1.55 0.35 0.52 0.00 0.00 175.17 177.05 3hre n THR 51 N 5.25 0.10 0.17 1.71 -2.24 -0.64 0.25 114.28 118.87 3hre n THR 51 Ca -0.10 0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3hre n THR 51 Cb 0.48 -0.72 0.28 0.00 -2.10 0.00 0.00 70.33 68.27 3hre n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hre h ALA 52 N 3.14 1.15 0.00 6.98 0.00 -1.83 -3.37 119.26 125.32 3hre h ALA 52 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hre h ALA 52 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hre h ALA 52 CO 0.00 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 3hre n ASP 53 N -3.88 0.00 0.00 0.00 5.68 -1.08 -5.02 116.55 112.26 3hre n ASP 53 Ca -0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 3hre n ASP 53 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3hre n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hre n ASN 54 N 0.00 -4.32 -4.79 -1.12 3.02 0.14 -4.99 115.26 103.20 3hre n ASN 54 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 3hre n ASN 54 Cb 0.31 -2.13 0.03 0.00 -0.61 0.00 0.00 39.78 37.39 3hre n ASN 54 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hre s THR 55 N -1.51 3.51 0.08 3.41 -4.23 -1.19 -4.72 115.64 111.00 3hre s THR 55 Ca 0.00 0.70 0.08 0.00 -1.18 0.00 0.00 61.69 61.29 3hre s THR 55 Cb 0.00 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 3hre s THR 55 CO 0.00 -0.43 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.34 3hre s GLN 56 N -4.10 1.23 -0.12 3.99 -0.21 -1.26 -1.16 119.66 118.02 3hre s GLN 56 Ca 0.65 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.97 3hre s GLN 56 Cb -0.18 -1.43 0.02 0.00 1.00 0.00 0.00 33.01 32.41 3hre s GLN 56 CO 0.40 0.35 -0.12 0.08 -2.12 0.00 0.00 175.29 173.87 3hre s VAL 57 N -1.01 1.34 0.06 1.09 1.01 -0.70 -4.97 120.40 117.21 3hre s VAL 57 Ca 0.07 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3hre s VAL 57 Cb -0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3hre s VAL 57 CO 0.03 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.58 3hre s LEU 59 N 1.45 2.21 -0.12 3.92 1.43 -1.26 -0.52 118.68 125.78 3hre s LEU 59 Ca 0.02 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3hre s LEU 59 Cb -0.13 -0.94 0.05 0.00 0.03 0.00 0.00 46.19 45.19 3hre s LEU 59 CO -0.08 0.13 0.08 -0.47 0.23 0.00 0.00 176.35 176.24 3hre s TYR 60 N -0.91 0.17 -1.40 0.29 5.04 0.02 -4.73 117.35 115.84 3hre s TYR 60 Ca 0.07 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.51 3hre s TYR 60 Cb -0.09 -0.63 0.05 0.00 0.35 0.00 0.00 41.96 41.64 3hre s TYR 60 CO 0.02 -0.39 0.57 0.54 -1.34 0.00 0.00 175.55 174.95 3hre n ARG 61 N 5.28 -4.17 0.27 4.97 1.74 -1.26 -0.60 116.66 122.89 3hre n ARG 61 Ca -0.06 0.65 0.17 0.00 -0.77 0.00 0.00 57.85 57.84 3hre n ARG 61 Cb 0.49 -5.44 0.92 0.00 -1.02 0.00 0.00 32.46 27.41 3hre n ARG 61 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hre h GLY 62 N -1.22 0.00 -1.51 -0.13 0.00 -1.85 -2.41 103.07 95.95 3hre h GLY 62 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hre h GLY 62 CO 0.55 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.31 3hre n ASP 63 N -3.71 3.16 -4.86 0.19 8.00 -1.26 -1.34 116.55 116.73 3hre n ASP 63 Ca -0.01 -2.09 -0.33 0.00 0.71 0.00 0.00 54.79 53.07 3hre n ASP 63 Cb 0.18 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 3hre n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hre s GLU 64 N -1.16 3.86 0.22 -1.24 2.02 -0.91 -4.95 118.70 116.54 3hre s GLU 64 Ca 0.28 0.34 -0.22 0.00 0.02 0.00 0.00 54.97 55.39 3hre s GLU 64 Cb 0.16 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.55 3hre s GLU 64 CO 0.17 0.38 0.77 1.03 0.02 0.00 0.00 175.26 177.63 3hre s ARG 65 N -2.50 4.38 0.03 1.61 0.52 -1.26 -4.13 118.95 117.60 3hre s ARG 65 Ca 0.44 1.01 0.02 0.00 -0.52 0.00 0.00 55.73 56.67 3hre s ARG 65 Cb -0.13 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 3hre s ARG 65 CO 0.20 0.42 -0.06 -0.06 0.02 0.00 0.00 175.30 175.82 3hre s PHE 66 N -1.44 0.54 0.08 -0.53 0.40 -0.17 -4.96 117.98 111.90 3hre s PHE 66 Ca 0.42 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 56.05 3hre s PHE 66 Cb -0.19 -0.33 -0.08 0.00 0.51 0.00 0.00 43.02 42.94 3hre s PHE 66 CO 0.23 -0.08 1.47 -2.14 0.70 0.00 0.00 175.22 175.39 3hre s PRO 67 N -1.17 4.27 0.18 0.24 0.02 -1.26 -2.10 135.00 135.18 3hre s PRO 67 Ca -0.08 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.05 3hre s PRO 67 Cb -0.08 -3.38 0.09 0.00 0.02 0.00 0.00 34.50 31.14 3hre s PRO 67 CO 0.00 -0.55 1.47 0.52 -0.33 0.00 0.00 177.00 178.11 3hre h MET 68 N 7.35 0.49 0.00 5.54 2.86 -1.60 -3.48 114.93 126.09 3hre h MET 68 Ca -0.41 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 3hre h MET 68 Cb 1.20 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3hre h MET 68 CO 0.89 0.97 0.00 0.00 1.06 0.00 0.00 176.91 179.83 3hre h GLY 70 N 0.00 0.00 2.00 0.00 0.00 -1.81 -1.85 103.07 101.41 3hre h GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hre h GLY 70 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.63 3hre h THR 71 N 0.00 0.00 0.00 4.70 1.35 -1.37 -0.87 112.91 116.72 3hre h THR 71 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3hre h THR 71 Cb 0.22 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3hre h THR 71 CO 0.00 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.04 3hre h SER 72 N 0.00 0.00 0.20 5.36 4.64 -1.49 -2.78 113.55 119.48 3hre h SER 72 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3hre h SER 72 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hre h SER 72 CO 0.00 0.00 -0.10 0.11 -0.87 0.00 0.00 176.83 175.97 3hre h LYS 73 N 0.00 0.00 -0.42 4.77 1.57 -1.37 -2.00 116.57 119.12 3hre h LYS 73 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3hre h LYS 73 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3hre h LYS 73 CO 0.00 0.10 0.00 0.28 -0.57 0.00 0.00 179.45 179.26 3hre h VAL 74 N 0.00 1.26 -0.64 0.50 2.07 -1.69 -0.99 116.25 116.76 3hre h VAL 74 Ca -0.00 -1.02 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 3hre h VAL 74 Cb 0.23 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3hre h VAL 74 CO 0.01 0.35 0.07 -0.03 0.02 0.00 0.00 177.57 177.99 3hre h MET 75 N 0.58 1.08 -0.27 1.57 1.85 -1.55 -0.41 114.93 117.77 3hre h MET 75 Ca 0.12 -0.31 -0.05 0.00 -0.61 0.00 0.00 59.70 58.86 3hre h MET 75 Cb 0.48 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 3hre h MET 75 CO 0.02 1.01 -0.01 0.00 -0.40 0.00 0.00 176.91 177.54 3hre h ALA 76 N 1.06 0.37 -0.74 0.39 0.00 -1.35 -0.43 119.26 118.56 3hre h ALA 76 Ca 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hre h ALA 76 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hre h ALA 76 CO 0.02 0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.61 3hre h ALA 77 N 0.82 1.00 -0.67 0.00 0.00 -1.07 -2.35 119.26 116.98 3hre h ALA 77 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3hre h ALA 77 Cb 0.44 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hre h ALA 77 CO 0.02 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.12 3hre h ALA 78 N 1.14 1.06 -0.68 0.00 0.00 -0.93 -0.45 119.26 119.41 3hre h ALA 78 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hre h ALA 78 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hre h ALA 78 CO -0.01 0.63 0.26 0.00 0.00 0.00 0.00 179.25 180.13 3hre h ALA 79 N 1.20 1.18 -0.27 0.00 0.00 -0.73 0.06 119.26 120.69 3hre h ALA 79 Ca 0.22 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3hre h ALA 79 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hre h ALA 79 CO -0.00 0.59 -0.52 0.28 0.00 0.00 0.00 179.25 179.60 3hre h VAL 80 N 0.98 1.29 -0.81 0.00 2.07 -1.07 -1.96 116.25 116.74 3hre h VAL 80 Ca 0.23 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3hre h VAL 80 Cb 0.21 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3hre h VAL 80 CO -0.02 0.55 0.51 -0.07 0.02 0.00 0.00 177.57 178.57 3hre h LEU 81 N 0.61 0.96 -0.64 2.57 3.38 -0.59 -0.69 115.31 120.91 3hre h LEU 81 Ca 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hre h LEU 81 Cb 1.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3hre h LEU 81 CO 0.11 0.72 0.40 0.50 0.09 0.00 0.00 178.44 180.26 3hre h LYS 82 N 1.11 0.86 -0.55 1.13 1.63 -0.74 -2.03 116.57 117.98 3hre h LYS 82 Ca 0.29 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 3hre h LYS 82 Cb -0.08 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.34 3hre h LYS 82 CO -0.06 0.61 0.23 1.96 -3.45 0.00 0.00 179.45 178.74 3hre h GLN 83 N 0.87 0.79 0.00 1.90 4.20 -0.60 -1.83 115.11 120.44 3hre h GLN 83 Ca 0.23 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3hre h GLN 83 Cb -0.04 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3hre h GLN 83 CO -0.05 0.63 0.00 0.66 -0.67 0.00 0.00 178.83 179.41 3hre h SER 84 N 0.78 0.00 0.32 1.46 4.64 -0.41 -2.66 113.55 117.68 3hre h SER 84 Ca 0.19 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 3hre h SER 84 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3hre h SER 84 CO -0.02 0.00 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.31 3hre h GLU 85 N 0.00 0.00 -0.49 4.77 5.08 -1.13 -2.47 114.58 120.33 3hre h GLU 85 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hre h GLU 85 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hre h GLU 85 CO 0.00 0.30 0.00 0.25 -1.00 0.00 0.00 179.01 178.56 3hre n THR 86 N -4.14 0.89 -3.32 1.13 -2.24 -1.01 -4.73 114.28 100.87 3hre n THR 86 Ca -0.02 -0.95 -0.17 0.00 -2.27 0.00 0.00 64.05 60.64 3hre n THR 86 Cb 0.35 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 3hre n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hre s GLN 87 N -1.05 0.71 0.59 -0.78 -0.21 -0.93 -5.02 119.66 112.97 3hre s GLN 87 Ca 0.35 -1.06 0.29 0.00 0.02 0.00 0.00 55.36 54.96 3hre s GLN 87 Cb 0.19 -0.77 1.48 0.00 1.00 0.00 0.00 33.01 34.91 3hre s GLN 87 CO 0.25 -1.23 1.89 -0.22 -2.12 0.00 0.00 175.29 173.86 3hre h LYS 88 N 6.70 0.00 -0.02 2.91 3.64 -1.84 -1.61 116.57 126.34 3hre h LYS 88 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hre h LYS 88 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3hre h LYS 88 CO 0.20 0.00 -0.14 1.04 -2.27 0.00 0.00 179.45 178.28 3hre n GLN 89 N -3.65 1.78 -0.16 1.90 1.13 -1.26 -4.62 117.38 112.49 3hre n GLN 89 Ca 0.08 -1.50 -0.02 0.00 -1.94 0.00 0.00 57.00 53.62 3hre n GLN 89 Cb 0.65 -1.41 0.07 0.00 0.11 0.00 0.00 30.24 29.66 3hre n GLN 89 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3hre h LEU 90 N 3.55 -0.16 -1.10 1.08 5.85 -1.62 -1.32 115.31 121.60 3hre h LEU 90 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hre h LEU 90 Cb 0.82 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3hre h LEU 90 CO 0.00 -0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.23 3hre n LEU 91 N -5.21 0.57 -0.30 2.25 4.77 -1.26 -2.20 117.00 115.62 3hre n LEU 91 Ca 0.06 0.71 0.09 0.00 -0.03 0.00 0.00 56.01 56.85 3hre n LEU 91 Cb 0.28 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3hre n LEU 91 CO 0.16 -0.79 0.18 0.59 -1.33 0.00 0.00 177.39 176.20 3hre n ASN 92 N -2.21 1.54 -4.75 -1.43 3.02 -0.51 -1.63 115.26 109.28 3hre n ASN 92 Ca -0.00 -1.27 -0.41 0.00 -0.03 0.00 0.00 54.58 52.87 3hre n ASN 92 Cb 0.10 0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.90 3hre n ASN 92 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hre s GLN 93 N -2.39 4.25 0.06 3.52 -1.52 -0.93 -4.84 119.66 117.81 3hre s GLN 93 Ca 0.13 2.34 -0.30 0.00 -1.95 0.00 0.00 55.36 55.58 3hre s GLN 93 Cb 0.15 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.80 3hre s GLN 93 CO 0.58 -0.43 1.05 -1.25 -0.25 0.00 0.00 175.29 174.99 3hre s PRO 94 N -0.51 4.56 -0.17 2.91 0.04 -1.26 -3.60 135.00 136.98 3hre s PRO 94 Ca 0.59 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 3hre s PRO 94 Cb -0.43 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 3hre s PRO 94 CO 0.45 -0.03 -0.10 0.08 0.04 0.00 0.00 177.00 177.43 3hre s VAL 95 N 0.65 3.12 0.15 -0.36 1.01 0.57 -4.92 120.40 120.61 3hre s VAL 95 Ca 0.52 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3hre s VAL 95 Cb -0.25 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 3hre s VAL 95 CO 0.30 0.49 1.22 -1.61 0.00 0.00 0.00 175.10 175.49 3hre s GLU 96 N 0.81 4.46 -0.24 2.72 2.02 -1.26 -1.04 118.70 126.16 3hre s GLU 96 Ca -0.04 1.87 -0.04 0.00 0.02 0.00 0.00 54.97 56.78 3hre s GLU 96 Cb -0.15 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.81 3hre s GLU 96 CO 0.01 -0.17 -0.02 0.42 0.02 0.00 0.00 175.26 175.53 3hre s ILE 97 N 0.33 3.45 0.18 -1.63 -1.09 -0.53 -4.95 121.20 116.96 3hre s ILE 97 Ca 0.55 -0.61 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 3hre s ILE 97 Cb -0.32 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 3hre s ILE 97 CO 0.34 0.31 0.02 -0.54 -1.23 0.00 0.00 174.94 173.84 3hre s LYS 98 N 1.46 2.45 0.34 2.79 -0.14 -1.26 0.54 119.74 125.92 3hre s LYS 98 Ca 0.04 -1.12 0.13 0.00 -1.36 0.00 0.00 55.97 53.67 3hre s LYS 98 Cb -0.15 -2.37 0.98 0.00 -1.68 0.00 0.00 37.83 34.60 3hre s LYS 98 CO -0.02 0.45 1.73 -1.35 -0.76 0.00 0.00 175.35 175.40 3hre h PRO 99 N 2.56 0.48 0.00 -1.68 0.11 -1.98 0.14 132.00 131.64 3hre h PRO 99 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3hre h PRO 99 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hre h PRO 99 CO 0.59 0.32 -0.06 0.00 -0.21 0.00 0.00 178.00 178.64 3hre h ALA 100 N 1.71 1.12 0.00 -0.75 0.00 -2.03 -2.79 119.26 116.51 3hre h ALA 100 Ca 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 3hre h ALA 100 Cb 1.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hre h ALA 100 CO -0.44 0.08 -0.08 -0.44 0.00 0.00 0.00 179.25 178.37 3hre h ASP 101 N 0.00 0.00 -2.94 0.00 3.32 -1.12 -3.45 116.42 112.24 3hre h ASP 101 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3hre h ASP 101 Cb 0.32 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.92 3hre h ASP 101 CO 0.01 0.08 0.84 -0.76 -1.72 0.00 0.00 179.24 177.69 3hre s LEU 102 N -6.30 4.37 0.00 1.55 1.43 -1.06 -4.71 118.68 113.97 3hre s LEU 102 Ca 0.04 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 3hre s LEU 102 Cb 0.07 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3hre s LEU 102 CO 0.63 -0.79 0.00 1.33 0.23 0.00 0.00 176.35 177.75 3hre n VAL 103 N 3.69 0.00 0.06 -1.59 0.24 -1.26 -5.05 118.33 114.43 3hre n VAL 103 Ca 0.12 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.30 3hre n VAL 103 Cb 0.39 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 3hre n VAL 103 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hre h ASN 104 N 0.00 0.24 -2.70 -1.34 -1.07 -1.94 -3.44 115.58 105.32 3hre h ASN 104 Ca 0.00 -0.29 -0.43 0.00 0.07 0.00 0.00 56.30 55.65 3hre h ASN 104 Cb 0.00 -0.08 -0.38 0.00 -2.07 0.00 0.00 38.32 35.79 3hre h ASN 104 CO 0.00 1.24 -0.71 -0.47 0.07 0.00 0.00 177.43 177.56 3hre s TYR 105 N -2.65 0.02 -0.41 4.14 6.14 -1.26 -5.06 117.35 118.27 3hre s TYR 105 Ca -0.04 -0.34 0.08 0.00 0.64 0.00 0.00 57.07 57.41 3hre s TYR 105 Cb 0.08 -0.64 0.27 0.00 0.42 0.00 0.00 41.96 42.09 3hre s TYR 105 CO 0.85 -0.70 0.64 0.27 0.64 0.00 0.00 175.55 177.25 3hre n ASN 106 N 5.28 -0.30 0.28 4.32 6.94 -1.26 -0.76 115.26 129.76 3hre n ASN 106 Ca -0.06 -2.88 0.14 0.00 -0.02 0.00 0.00 54.58 51.76 3hre n ASN 106 Cb 0.47 -0.15 0.81 0.00 -2.36 0.00 0.00 39.78 38.54 3hre n ASN 106 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3hre h PRO 107 N 3.80 0.00 0.00 -0.53 0.13 -1.94 -1.85 132.00 131.61 3hre h PRO 107 Ca 0.03 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.84 3hre h PRO 107 Cb 0.93 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 3hre h PRO 107 CO 0.43 0.07 -1.96 -0.89 -0.23 0.00 0.00 178.00 175.42 3hre n ILE 108 N -3.72 1.52 -0.08 -3.56 2.08 -1.26 -4.53 119.36 109.81 3hre n ILE 108 Ca -0.02 -0.21 0.08 0.00 0.56 0.00 0.00 62.75 63.16 3hre n ILE 108 Cb 0.17 -2.01 0.44 0.00 -0.75 0.00 0.00 39.64 37.50 3hre n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hre h ALA 109 N -0.90 1.86 -0.05 -1.39 0.00 -1.96 -2.12 119.26 114.71 3hre h ALA 109 Ca -0.50 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hre h ALA 109 Cb 1.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hre h ALA 109 CO -0.30 0.04 0.04 1.05 0.00 0.00 0.00 179.25 180.08 3hre h GLU 110 N 0.53 0.00 0.00 0.00 4.11 -1.57 -0.14 114.58 117.51 3hre h GLU 110 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3hre h GLU 110 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hre h GLU 110 CO -0.07 0.00 0.00 0.87 0.07 0.00 0.00 179.01 179.88 3hre h LYS 111 N 0.00 0.00 -0.28 1.06 1.57 -1.62 -3.24 116.57 114.07 3hre h LYS 111 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hre h LYS 111 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3hre h LYS 111 CO -0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 3hre n HIS 112 N -2.63 0.47 -1.71 -1.35 8.25 -0.08 -5.00 115.22 113.16 3hre n HIS 112 Ca 0.03 -0.57 -0.43 0.00 -0.26 0.00 0.00 57.72 56.49 3hre n HIS 112 Cb 0.35 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 3hre n HIS 112 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hre n VAL 113 N 0.17 1.49 -0.93 1.59 0.31 -1.11 -0.63 118.33 119.22 3hre n VAL 113 Ca 0.12 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3hre n VAL 113 Cb 0.48 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3hre n VAL 113 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3hre n ASN 114 N 1.43 -1.95 0.00 4.52 3.02 0.19 -4.95 115.26 117.52 3hre n ASN 114 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3hre n ASN 114 Cb 0.35 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 3hre n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hre n GLY 115 N -1.91 6.77 3.20 7.41 0.00 0.20 -4.95 105.19 115.91 3hre n GLY 115 Ca 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 3hre n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hre s THR 116 N 0.90 0.98 0.02 2.61 -4.23 -1.25 -1.45 115.64 113.21 3hre s THR 116 Ca 0.00 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 3hre s THR 116 Cb 0.00 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 3hre s THR 116 CO 0.00 -0.68 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.32 3hre s MET 117 N -3.30 0.36 0.65 3.99 -1.94 -0.21 -4.89 119.30 113.96 3hre s MET 117 Ca 0.10 -0.42 -0.07 0.00 -1.71 0.00 0.00 55.69 53.60 3hre s MET 117 Cb 0.00 -0.20 0.03 0.00 2.01 0.00 0.00 34.83 36.68 3hre s MET 117 CO -0.01 0.04 0.97 0.95 -0.01 0.00 0.00 175.02 176.96 3hre s THR 118 N -0.76 3.10 0.43 2.05 -4.23 -1.26 -0.32 115.64 114.66 3hre s THR 118 Ca -0.06 -0.05 0.19 0.00 -1.18 0.00 0.00 61.69 60.59 3hre s THR 118 Cb -0.06 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.72 3hre s THR 118 CO -0.00 -0.30 2.01 -0.07 -0.54 0.00 0.00 174.62 175.72 3hre h LEU 119 N -0.39 0.00 -0.28 4.79 3.38 -1.59 0.88 115.31 122.10 3hre h LEU 119 Ca -0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3hre h LEU 119 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3hre h LEU 119 CO 0.61 0.18 -0.10 0.00 0.09 0.00 0.00 178.44 179.22 3hre h ALA 120 N 1.82 0.38 -0.74 1.53 0.00 -1.62 0.12 119.26 120.76 3hre h ALA 120 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3hre h ALA 120 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hre h ALA 120 CO 0.02 0.23 0.31 0.93 0.00 0.00 0.00 179.25 180.74 3hre h GLU 121 N 0.30 1.09 -0.44 0.00 5.08 -1.60 -0.50 114.58 118.51 3hre h GLU 121 Ca 0.07 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3hre h GLU 121 Cb 0.59 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3hre h GLU 121 CO 0.03 0.87 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.62 3hre h LEU 122 N 1.07 0.92 -0.21 1.33 3.38 -0.70 -0.57 115.31 120.52 3hre h LEU 122 Ca 0.25 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hre h LEU 122 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hre h LEU 122 CO -0.02 1.10 0.05 0.28 0.09 0.00 0.00 178.44 179.94 3hre h SER 123 N 0.78 0.32 -0.68 -0.43 0.02 -0.60 -0.35 113.55 112.61 3hre h SER 123 Ca 0.10 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3hre h SER 123 Cb 0.77 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 3hre h SER 123 CO 0.06 0.46 0.38 0.00 -1.14 0.00 0.00 176.83 176.59 3hre h ALA 124 N 0.87 0.86 -0.41 3.77 0.00 -1.00 -0.99 119.26 122.37 3hre h ALA 124 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hre h ALA 124 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hre h ALA 124 CO 0.00 0.37 0.02 0.00 0.00 0.00 0.00 179.25 179.64 3hre h ALA 125 N 1.19 0.55 -0.40 0.00 0.00 -0.95 0.90 119.26 120.55 3hre h ALA 125 Ca 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hre h ALA 125 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hre h ALA 125 CO -0.04 0.31 0.20 0.00 0.00 0.00 0.00 179.25 179.72 3hre h ALA 126 N 0.90 0.52 0.00 0.00 0.00 -0.89 -1.67 119.26 118.12 3hre h ALA 126 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hre h ALA 126 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hre h ALA 126 CO 0.02 0.07 -0.19 -0.07 0.00 0.00 0.00 179.25 179.08 3hre h LEU 127 N 0.51 0.16 0.00 0.00 3.38 -1.10 -2.14 115.31 116.12 3hre h LEU 127 Ca 0.14 -0.80 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 3hre h LEU 127 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hre h LEU 127 CO -0.02 0.94 -0.71 1.56 0.09 0.00 0.00 178.44 180.30 3hre h GLN 128 N -0.60 0.00 0.00 1.13 4.20 -0.90 -3.37 115.11 115.57 3hre h GLN 128 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hre h GLN 128 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3hre h GLN 128 CO 0.04 0.15 0.00 0.66 -0.67 0.00 0.00 178.83 179.00 3hre n TYR 129 N -2.94 0.00 -2.61 2.96 4.02 -0.69 -1.97 117.16 115.93 3hre n TYR 129 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.68 3hre n TYR 129 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.96 3hre n TYR 129 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hre n SER 130 N -0.35 -5.74 -4.66 7.72 2.88 -0.81 -4.91 113.62 107.74 3hre n SER 130 Ca 0.00 -0.12 -0.42 0.00 -1.33 0.00 0.00 58.87 57.00 3hre n SER 130 Cb 0.02 -4.69 -0.03 0.00 -0.75 0.00 0.00 64.21 58.76 3hre n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hre s ASP 131 N -2.35 6.57 0.20 -3.46 -1.08 -0.83 -4.90 116.67 110.80 3hre s ASP 131 Ca 0.11 2.46 0.04 0.00 -0.52 0.00 0.00 52.55 54.64 3hre s ASP 131 Cb -0.05 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.98 3hre s ASP 131 CO 0.14 -0.97 1.46 0.78 0.52 0.00 0.00 175.17 177.10 3hre h ASN 132 N 9.76 0.23 -0.42 -0.34 2.35 -1.30 -2.23 115.58 123.62 3hre h ASN 132 Ca -0.44 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.02 3hre h ASN 132 Cb 1.21 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3hre h ASN 132 CO 0.95 0.90 -0.23 0.74 -1.65 0.00 0.00 177.43 178.14 3hre h THR 133 N 0.12 1.28 -0.39 2.81 2.02 -1.85 -1.56 112.91 115.34 3hre h THR 133 Ca -0.03 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.77 3hre h THR 133 Cb 1.33 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 3hre h THR 133 CO 0.11 0.47 0.25 0.00 0.37 0.00 0.00 175.52 176.72 3hre h ALA 134 N 0.82 0.49 -0.70 6.16 0.00 -1.86 -1.72 119.26 122.46 3hre h ALA 134 Ca 0.09 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hre h ALA 134 Cb 0.80 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3hre h ALA 134 CO 0.07 -0.03 0.43 1.98 0.00 0.00 0.00 179.25 181.69 3hre h MET 135 N 0.52 0.80 -0.22 0.00 -1.53 -1.28 -1.69 114.93 111.52 3hre h MET 135 Ca 0.14 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.34 3hre h MET 135 Cb -0.03 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 30.83 3hre h MET 135 CO -0.03 0.53 0.08 -0.91 0.14 0.00 0.00 176.91 176.72 3hre h ASN 136 N 0.82 0.28 0.22 1.39 2.35 -0.61 -0.10 115.58 119.92 3hre h ASN 136 Ca 0.29 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.87 3hre h ASN 136 Cb 0.06 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3hre h ASN 136 CO -0.13 0.27 -0.57 0.11 -1.65 0.00 0.00 177.43 175.46 3hre h LYS 137 N 0.31 0.36 -0.19 0.81 1.79 -0.47 -0.41 116.57 118.77 3hre h LYS 137 Ca 0.08 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 3hre h LYS 137 Cb 0.08 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3hre h LYS 137 CO -0.01 0.83 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.09 3hre h LEU 138 N 0.27 0.35 -0.51 2.94 3.38 -0.47 -1.09 115.31 120.19 3hre h LEU 138 Ca 0.00 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3hre h LEU 138 Cb 1.08 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3hre h LEU 138 CO 0.10 0.62 0.31 0.40 0.09 0.00 0.00 178.44 179.95 3hre h ILE 139 N 0.09 1.07 -0.87 1.22 2.04 -0.93 -2.43 117.51 117.70 3hre h ILE 139 Ca 0.05 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3hre h ILE 139 Cb 0.45 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3hre h ILE 139 CO 0.02 0.11 0.46 0.00 0.00 0.00 0.00 178.15 178.74 3hre h ALA 140 N 1.22 1.17 0.00 1.87 0.00 -0.95 -0.51 119.26 122.05 3hre h ALA 140 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hre h ALA 140 Cb -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3hre h ALA 140 CO -0.08 0.66 -0.02 0.37 0.00 0.00 0.00 179.25 180.18 3hre h GLN 141 N 1.23 0.00 -0.02 0.00 5.75 -0.74 -1.26 115.11 120.06 3hre h GLN 141 Ca 0.30 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3hre h GLN 141 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 3hre h GLN 141 CO -0.05 0.02 0.00 1.28 -2.65 0.00 0.00 178.83 177.43 3hre n LEU 142 N -4.49 1.45 0.00 -2.39 4.77 -0.62 -4.93 117.00 110.78 3hre n LEU 142 Ca -0.03 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3hre n LEU 142 Cb 0.11 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hre n LEU 142 CO 0.34 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3hre n GLY 143 N 1.17 0.63 0.00 -0.72 0.00 -0.47 -4.06 105.19 101.73 3hre n GLY 143 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3hre n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hre n GLY 144 N -2.64 1.71 0.38 -0.02 0.00 -0.30 -4.64 105.19 99.68 3hre n GLY 144 Ca 0.00 -2.15 0.15 0.00 0.00 0.00 0.00 46.02 44.01 3hre n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hre h PRO 145 N 0.00 0.62 0.00 1.61 0.11 -1.84 0.54 132.00 133.03 3hre h PRO 145 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hre h PRO 145 Cb 0.00 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3hre h PRO 145 CO 0.00 0.41 -0.02 0.78 -0.21 0.00 0.00 178.00 178.96 3hre h GLY 146 N 0.64 0.00 1.83 -0.55 0.00 -1.86 -0.70 103.07 102.43 3hre h GLY 146 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.74 3hre h GLY 146 CO -0.27 0.00 -0.44 -1.33 0.00 0.00 0.00 176.54 174.50 3hre h GLY 147 N 0.13 0.20 0.89 4.60 0.00 -1.03 0.83 103.07 108.69 3hre h GLY 147 Ca -0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 3hre h GLY 147 CO 0.00 0.18 -0.49 -2.08 0.00 0.00 0.00 176.54 174.16 3hre h VAL 148 N 0.15 1.36 -0.73 4.60 2.07 -1.17 -2.61 116.25 119.92 3hre h VAL 148 Ca 0.01 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3hre h VAL 148 Cb 0.84 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3hre h VAL 148 CO 0.07 0.54 0.46 0.74 0.02 0.00 0.00 177.57 179.40 3hre h THR 149 N 0.15 1.20 -0.94 2.57 2.02 -1.24 -1.80 112.91 114.87 3hre h THR 149 Ca -0.03 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.77 3hre h THR 149 Cb 1.12 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3hre h THR 149 CO 0.10 0.20 0.61 0.00 0.37 0.00 0.00 175.52 176.81 3hre h ALA 150 N 1.25 1.23 -0.44 6.16 0.00 -0.80 -0.79 119.26 125.87 3hre h ALA 150 Ca 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3hre h ALA 150 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3hre h ALA 150 CO -0.05 0.50 0.14 0.35 0.00 0.00 0.00 179.25 180.18 3hre h PHE 151 N 1.19 0.71 -0.58 0.00 3.57 -1.04 -1.20 116.94 119.60 3hre h PHE 151 Ca 0.37 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.89 3hre h PHE 151 Cb -0.02 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.45 3hre h PHE 151 CO -0.01 0.64 0.21 0.00 -2.23 0.00 0.00 178.31 176.92 3hre h ALA 152 N 0.99 0.73 -0.74 2.41 0.00 -0.56 -1.29 119.26 120.80 3hre h ALA 152 Ca 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hre h ALA 152 Cb 0.26 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hre h ALA 152 CO -0.01 -0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.33 3hre h ARG 153 N 0.38 1.10 0.00 0.00 2.47 -0.81 -0.54 114.38 116.99 3hre h ARG 153 Ca 0.29 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3hre h ARG 153 Cb 0.34 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3hre h ARG 153 CO -0.29 0.89 -0.06 0.00 0.56 0.00 0.00 179.97 181.07 3hre h ALA 154 N 1.25 1.39 -0.58 0.04 0.00 -0.08 -1.95 119.26 119.33 3hre h ALA 154 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hre h ALA 154 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hre h ALA 154 CO -0.02 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.75 3hre n ILE 155 N -3.73 1.85 -0.54 0.00 -5.35 -0.86 -4.95 119.36 105.78 3hre n ILE 155 Ca -0.02 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 3hre n ILE 155 Cb 0.16 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 3hre n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hre n GLY 156 N 0.89 0.74 3.44 3.28 0.00 -0.73 -5.02 105.19 107.78 3hre n GLY 156 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 3hre n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hre s ASP 157 N -2.24 6.21 0.00 1.61 -1.08 -0.27 -4.89 116.67 116.02 3hre s ASP 157 Ca 0.00 -0.97 0.23 0.00 -0.52 0.00 0.00 52.55 51.29 3hre s ASP 157 Cb 0.00 -2.27 0.60 0.00 -1.46 0.00 0.00 42.92 39.79 3hre s ASP 157 CO 0.00 -0.84 1.49 -0.62 0.52 0.00 0.00 175.17 175.71 3hre n GLU 158 N 6.00 2.06 -0.11 4.34 -0.58 -1.26 -3.13 120.64 127.96 3hre n GLU 158 Ca -0.07 -1.58 -0.20 0.00 -0.42 0.00 0.00 57.16 54.89 3hre n GLU 158 Cb 0.45 -1.45 -0.09 0.00 -0.57 0.00 0.00 31.44 29.78 3hre n GLU 158 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3hre n THR 159 N 0.82 1.23 -1.62 2.62 -1.04 -1.26 -5.01 114.28 110.02 3hre n THR 159 Ca 0.17 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 3hre n THR 159 Cb 0.46 -1.57 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 3hre n THR 159 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3hre n PHE 160 N -3.63 1.53 -3.71 -1.42 -0.00 -1.26 -4.72 117.46 104.26 3hre n PHE 160 Ca -0.42 0.63 -0.12 0.00 -0.00 0.00 0.00 57.45 57.55 3hre n PHE 160 Cb 0.85 -2.29 -0.12 0.00 -0.00 0.00 0.00 39.48 37.92 3hre n PHE 160 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3hre s ARG 161 N -1.75 0.26 -0.17 -4.13 1.70 -0.90 -4.92 118.95 109.04 3hre s ARG 161 Ca 0.59 0.66 -0.01 0.00 -0.47 0.00 0.00 55.73 56.50 3hre s ARG 161 Cb -0.63 -0.06 -0.00 0.00 -0.57 0.00 0.00 34.95 33.69 3hre s ARG 161 CO 0.60 -0.18 -0.12 -1.17 -1.08 0.00 0.00 175.30 173.35 3hre s LEU 162 N 1.52 2.64 -0.01 -1.89 2.96 -1.26 -2.79 118.68 119.85 3hre s LEU 162 Ca -0.08 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3hre s LEU 162 Cb -0.10 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 3hre s LEU 162 CO -0.10 0.06 0.06 0.47 -1.32 0.00 0.00 176.35 175.52 3hre n ASP 163 N 4.22 4.18 -4.32 3.68 8.00 -1.26 -3.90 116.55 127.16 3hre n ASP 163 Ca -0.19 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 3hre n ASP 163 Cb 0.51 0.97 -0.10 0.00 -0.02 0.00 0.00 41.12 42.48 3hre n ASP 163 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hre s ARG 164 N -2.19 1.40 0.45 -1.24 0.52 -1.26 -4.84 118.95 111.79 3hre s ARG 164 Ca -0.01 -1.76 0.03 0.00 -0.52 0.00 0.00 55.73 53.47 3hre s ARG 164 Cb 0.02 -0.28 0.08 0.00 0.52 0.00 0.00 34.95 35.29 3hre s ARG 164 CO 0.14 -0.28 0.62 0.25 0.02 0.00 0.00 175.30 176.05 3hre n THR 165 N -0.46 0.00 -2.93 0.02 -2.24 -1.26 -4.67 114.28 102.74 3hre n THR 165 Ca -0.00 -1.17 -0.38 0.00 -2.27 0.00 0.00 64.05 60.23 3hre n THR 165 Cb 0.66 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 3hre n THR 165 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hre s GLU 166 N -4.02 4.51 0.00 -0.78 0.41 -1.26 -1.41 118.70 116.15 3hre s GLU 166 Ca 0.43 1.16 0.24 0.00 -0.41 0.00 0.00 54.97 56.40 3hre s GLU 166 Cb -0.03 -3.00 0.33 0.00 -1.78 0.00 0.00 34.13 29.65 3hre s GLU 166 CO 0.28 0.42 1.31 -0.35 -0.49 0.00 0.00 175.26 176.43 3hre n PRO 167 N 0.99 1.60 0.27 0.39 -0.04 -1.26 -4.92 135.00 132.03 3hre n PRO 167 Ca -0.02 -1.24 0.18 0.00 -0.04 0.00 0.00 63.50 62.39 3hre n PRO 167 Cb 0.50 -1.47 0.88 0.00 -0.04 0.00 0.00 33.50 33.36 3hre n PRO 167 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hre h THR 168 N 3.01 0.00 0.00 0.52 1.35 -1.89 -1.98 112.91 113.92 3hre h THR 168 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3hre h THR 168 Cb 0.76 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3hre h THR 168 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3hre n LEU 169 N -2.84 0.00 -1.38 3.87 -0.00 -0.50 -2.27 117.00 113.88 3hre n LEU 169 Ca -0.01 0.35 0.11 0.00 -0.00 0.00 0.00 56.01 56.46 3hre n LEU 169 Cb 0.15 -0.35 0.33 0.00 -0.00 0.00 0.00 43.42 43.54 3hre n LEU 169 CO 0.20 -0.21 0.78 0.59 -0.00 0.00 0.00 177.39 178.75 3hre n ASN 170 N -1.35 4.03 0.03 1.45 3.02 -0.75 -4.50 115.26 117.20 3hre n ASN 170 Ca 0.05 -2.09 0.09 0.00 -0.03 0.00 0.00 54.58 52.60 3hre n ASN 170 Cb 0.11 -0.50 0.52 0.00 -0.61 0.00 0.00 39.78 39.30 3hre n ASN 170 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hre h THR 171 N 4.18 0.98 -6.24 3.41 1.35 -1.66 -1.84 112.91 113.09 3hre h THR 171 Ca 0.00 -0.11 -0.48 0.00 -0.55 0.00 0.00 66.41 65.27 3hre h THR 171 Cb 1.06 0.62 -0.13 0.00 -1.73 0.00 0.00 68.15 67.97 3hre h THR 171 CO 0.05 0.06 -0.73 0.00 -0.25 0.00 0.00 175.52 174.65 3hre n ALA 172 N -2.52 -1.20 -2.17 6.62 0.00 -1.26 -4.36 120.51 115.62 3hre n ALA 172 Ca 0.04 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 3hre n ALA 172 Cb 0.22 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.11 3hre n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hre s ILE 173 N -3.17 3.32 0.29 0.00 1.01 -1.26 -4.69 121.20 116.70 3hre s ILE 173 Ca 0.62 0.94 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 3hre s ILE 173 Cb -0.33 -3.60 -0.13 0.00 0.01 0.00 0.00 42.46 38.41 3hre s ILE 173 CO 0.77 0.07 1.41 -2.65 0.00 0.00 0.00 174.94 174.54 3hre n PRO 174 N 4.05 2.23 0.00 2.79 -0.02 -1.26 -1.63 135.00 141.17 3hre n PRO 174 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3hre n PRO 174 Cb 0.42 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3hre n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hre n GLY 175 N 1.63 2.31 3.66 -1.23 0.00 -1.26 -5.01 105.19 105.29 3hre n GLY 175 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3hre n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hre s ASP 176 N -3.02 7.04 0.10 1.61 -1.08 -0.64 -4.93 116.67 115.73 3hre s ASP 176 Ca 0.00 1.29 0.26 0.00 -0.52 0.00 0.00 52.55 53.58 3hre s ASP 176 Cb 0.00 -2.51 1.01 0.00 -1.46 0.00 0.00 42.92 39.96 3hre s ASP 176 CO 0.00 -0.59 1.81 -0.81 0.52 0.00 0.00 175.17 176.10 3hre n PRO 177 N 6.06 0.11 -1.88 4.34 -0.04 -1.26 -4.86 135.00 137.47 3hre n PRO 177 Ca 0.10 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 3hre n PRO 177 Cb 0.47 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 3hre n PRO 177 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hre s ARG 178 N -3.06 4.18 -1.36 0.54 0.52 -1.26 -3.25 118.95 115.25 3hre s ARG 178 Ca 0.11 2.47 -0.06 0.00 -0.52 0.00 0.00 55.73 57.73 3hre s ARG 178 Cb 0.15 -3.03 0.03 0.00 0.52 0.00 0.00 34.95 32.62 3hre s ARG 178 CO 0.52 -0.50 0.95 -0.25 0.02 0.00 0.00 175.30 176.04 3hre n ASP 179 N 1.49 -3.57 -4.45 0.23 8.00 -1.18 -4.90 116.55 112.18 3hre n ASP 179 Ca 0.05 -0.70 -0.22 0.00 0.71 0.00 0.00 54.79 54.62 3hre n ASP 179 Cb 0.39 -4.45 -0.10 0.00 -0.02 0.00 0.00 41.12 36.94 3hre n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hre s THR 180 N -3.43 1.58 0.38 -3.53 -4.23 -1.12 -1.52 115.64 103.78 3hre s THR 180 Ca 0.32 -2.09 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 3hre s THR 180 Cb -0.15 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.16 3hre s THR 180 CO 0.78 -0.22 0.65 1.07 -0.54 0.00 0.00 174.62 176.36 3hre n THR 181 N -0.63 0.00 -4.17 3.99 5.66 -0.89 -2.13 114.28 116.11 3hre n THR 181 Ca -0.05 -1.40 -0.27 0.00 -3.05 0.00 0.00 64.05 59.28 3hre n THR 181 Cb 0.64 1.06 -0.08 0.00 -1.55 0.00 0.00 70.33 70.40 3hre n THR 181 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hre s THR 182 N -2.45 3.86 0.23 1.09 -4.23 -1.26 -1.00 115.64 111.88 3hre s THR 182 Ca 0.23 -1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 3hre s THR 182 Cb -0.03 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 71.09 3hre s THR 182 CO 0.16 -0.05 1.80 -0.65 -0.54 0.00 0.00 174.62 175.35 3hre h PRO 183 N 2.88 0.71 -0.36 3.99 0.11 -1.70 -1.70 132.00 135.93 3hre h PRO 183 Ca -0.47 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3hre h PRO 183 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3hre h PRO 183 CO 0.59 0.47 0.21 -0.09 -0.21 0.00 0.00 178.00 178.97 3hre h ARG 184 N 0.73 0.42 -0.48 1.05 2.43 -1.52 -1.22 114.38 115.80 3hre h ARG 184 Ca 0.37 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 3hre h ARG 184 Cb 0.32 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3hre h ARG 184 CO -0.24 0.28 0.13 0.00 -1.51 0.00 0.00 179.97 178.63 3hre h ALA 185 N 1.15 0.63 -0.25 2.80 0.00 -1.71 -2.20 119.26 119.67 3hre h ALA 185 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3hre h ALA 185 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hre h ALA 185 CO -0.06 0.30 -0.30 1.98 0.00 0.00 0.00 179.25 181.18 3hre h MET 186 N 0.64 0.50 -0.29 0.00 1.85 -1.15 -1.45 114.93 115.03 3hre h MET 186 Ca 0.15 -0.21 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 3hre h MET 186 Cb 0.31 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 3hre h MET 186 CO -0.00 0.75 0.01 0.00 -0.40 0.00 0.00 176.91 177.27 3hre h ALA 187 N 1.25 0.39 -0.40 0.39 0.00 -1.10 0.13 119.26 119.92 3hre h ALA 187 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hre h ALA 187 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hre h ALA 187 CO 0.06 0.13 0.22 1.96 0.00 0.00 0.00 179.25 181.61 3hre h GLN 188 N 0.31 0.56 -0.47 0.00 1.08 -1.28 -1.05 115.11 114.25 3hre h GLN 188 Ca 0.08 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 3hre h GLN 188 Cb 0.41 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3hre h GLN 188 CO 0.01 0.45 0.12 1.15 -0.95 0.00 0.00 178.83 179.61 3hre h THR 189 N 0.51 1.24 -0.66 -0.54 2.02 -1.14 -1.40 112.91 112.93 3hre h THR 189 Ca 0.14 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 3hre h THR 189 Cb 0.06 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3hre h THR 189 CO -0.02 0.30 0.35 0.25 0.37 0.00 0.00 175.52 176.77 3hre h LEU 190 N 0.64 0.82 -0.16 2.58 5.85 -0.52 -0.14 115.31 124.38 3hre h LEU 190 Ca 0.15 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hre h LEU 190 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3hre h LEU 190 CO 0.00 0.66 0.06 -0.09 -0.34 0.00 0.00 178.44 178.73 3hre h ARG 191 N 0.92 0.24 -0.91 1.25 2.43 -0.83 -0.85 114.38 116.63 3hre h ARG 191 Ca 0.23 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3hre h ARG 191 Cb 0.04 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3hre h ARG 191 CO -0.04 0.34 0.60 1.96 -1.51 0.00 0.00 179.97 181.32 3hre h GLN 192 N 0.09 1.19 -0.17 0.20 1.08 -0.62 0.79 115.11 117.67 3hre h GLN 192 Ca 0.05 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 3hre h GLN 192 Cb 0.19 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 3hre h GLN 192 CO -0.00 0.79 -0.47 -0.07 -0.95 0.00 0.00 178.83 178.12 3hre h LEU 193 N 1.23 0.70 0.00 1.46 3.38 -0.88 -2.41 115.31 118.80 3hre h LEU 193 Ca 0.33 -0.59 -0.26 0.00 0.09 0.00 0.00 57.88 57.46 3hre h LEU 193 Cb -0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 3hre h LEU 193 CO -0.07 1.17 -1.98 0.35 0.09 0.00 0.00 178.44 177.99 3hre n THR 194 N -4.20 1.19 -0.01 0.22 -2.24 -0.34 -4.64 114.28 104.25 3hre n THR 194 Ca -0.07 -0.76 -0.01 0.00 -2.27 0.00 0.00 64.05 60.95 3hre n THR 194 Cb 0.58 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 3hre n THR 194 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hre n LEU 195 N -2.77 0.00 0.00 3.22 4.77 0.09 -4.92 117.00 117.39 3hre n LEU 195 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3hre n LEU 195 Cb 0.98 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3hre n LEU 195 CO 0.44 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3hre n GLY 196 N 2.79 0.93 1.19 -0.72 0.00 -0.14 -5.00 105.19 104.24 3hre n GLY 196 Ca -0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 3hre n GLY 196 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hre n HIS 197 N 0.00 1.18 0.19 1.61 8.25 -1.18 -4.65 115.22 120.62 3hre n HIS 197 Ca 0.00 -1.54 0.03 0.00 -0.26 0.00 0.00 57.72 55.95 3hre n HIS 197 Cb 0.00 -0.50 0.39 0.00 1.12 0.00 0.00 29.99 31.00 3hre n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hre h ALA 198 N 1.08 1.46 -2.03 -1.41 0.00 -1.75 -3.43 119.26 113.18 3hre h ALA 198 Ca 0.22 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 3hre h ALA 198 Cb 1.70 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.31 3hre h ALA 198 CO 0.41 0.40 -0.68 -0.51 0.00 0.00 0.00 179.25 178.87 3hre s LEU 199 N -8.34 2.79 0.83 0.00 1.43 -1.26 -5.03 118.68 109.10 3hre s LEU 199 Ca -0.03 -1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 51.91 3hre s LEU 199 Cb 0.15 -1.17 0.09 0.00 0.03 0.00 0.00 46.19 45.29 3hre s LEU 199 CO 0.72 -0.13 1.11 -0.83 0.23 0.00 0.00 176.35 177.46 3hre s GLY 200 N -3.61 1.68 0.20 -3.19 0.00 -1.26 -4.66 107.32 96.48 3hre s GLY 200 Ca 0.32 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 45.33 3hre s GLY 200 CO 0.17 0.76 1.73 -2.09 0.00 0.00 0.00 173.10 173.68 3hre h GLU 201 N -1.42 0.33 -0.26 2.90 4.57 -1.97 0.98 114.58 119.71 3hre h GLU 201 Ca -0.43 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 57.62 3hre h GLU 201 Cb 1.25 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3hre h GLU 201 CO 0.48 0.22 -0.28 0.00 -1.18 0.00 0.00 179.01 178.24 3hre h THR 202 N 0.34 1.27 -0.38 0.32 1.03 -1.99 -1.53 112.91 111.97 3hre h THR 202 Ca 0.29 -1.34 -0.15 0.00 -0.01 0.00 0.00 66.41 65.19 3hre h THR 202 Cb 0.37 1.38 -0.01 0.00 -1.07 0.00 0.00 68.15 68.82 3hre h THR 202 CO -0.32 0.43 -0.35 1.56 -0.01 0.00 0.00 175.52 176.83 3hre h GLN 203 N 0.46 0.90 -0.55 0.00 7.50 -1.73 -1.40 115.11 120.28 3hre h GLN 203 Ca 0.06 -0.46 -0.01 0.00 0.50 0.00 0.00 58.65 58.74 3hre h GLN 203 Cb 0.73 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.24 3hre h GLN 203 CO 0.06 1.12 0.32 -0.09 -1.50 0.00 0.00 178.83 178.73 3hre h ARG 204 N 0.71 0.76 -0.74 1.46 2.43 -0.69 -0.54 114.38 117.77 3hre h ARG 204 Ca 0.06 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hre h ARG 204 Cb 0.94 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3hre h ARG 204 CO 0.09 0.57 0.39 0.00 -1.51 0.00 0.00 179.97 179.50 3hre h ALA 205 N 1.15 0.96 -0.53 2.80 0.00 -1.14 -1.17 119.26 121.33 3hre h ALA 205 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hre h ALA 205 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hre h ALA 205 CO -0.03 0.49 0.17 0.37 0.00 0.00 0.00 179.25 180.25 3hre h GLN 206 N 1.04 0.82 -0.50 0.00 5.75 -0.79 -0.65 115.11 120.78 3hre h GLN 206 Ca 0.26 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3hre h GLN 206 Cb 0.07 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3hre h GLN 206 CO -0.04 0.75 0.25 1.25 -2.65 0.00 0.00 178.83 178.40 3hre h LEU 207 N 0.73 0.64 -0.60 -2.39 5.85 -0.77 -0.69 115.31 118.09 3hre h LEU 207 Ca 0.17 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hre h LEU 207 Cb 0.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3hre h LEU 207 CO -0.01 0.58 0.30 0.58 -0.34 0.00 0.00 178.44 179.55 3hre h VAL 208 N 0.67 1.21 -0.50 1.05 2.07 -1.00 -0.96 116.25 118.79 3hre h VAL 208 Ca 0.17 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3hre h VAL 208 Cb 0.09 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3hre h VAL 208 CO -0.02 0.23 0.32 0.74 0.02 0.00 0.00 177.57 178.86 3hre h THR 209 N 0.81 1.10 -0.24 2.57 2.02 -0.86 -0.06 112.91 118.25 3hre h THR 209 Ca 0.21 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hre h THR 209 Cb 0.10 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3hre h THR 209 CO -0.03 0.12 0.13 -0.50 0.37 0.00 0.00 175.52 175.60 3hre h TRP 210 N 0.64 0.34 -0.83 3.16 6.55 -0.71 -2.19 115.95 122.91 3hre h TRP 210 Ca 0.19 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.01 3hre h TRP 210 Cb -0.04 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.12 3hre h TRP 210 CO -0.05 0.31 0.48 -0.07 -1.05 0.00 0.00 178.44 178.06 3hre h LEU 211 N 0.27 1.01 -1.70 -4.49 3.38 -0.86 -2.12 115.31 110.80 3hre h LEU 211 Ca 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hre h LEU 211 Cb 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hre h LEU 211 CO -0.01 0.80 -0.16 0.11 0.09 0.00 0.00 178.44 179.26 3hre h LYS 212 N 1.14 0.00 -0.29 1.13 1.57 -0.87 -2.05 116.57 117.21 3hre h LYS 212 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hre h LYS 212 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3hre h LYS 212 CO -0.05 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 3hre n GLY 213 N -1.01 0.50 3.68 3.86 0.00 -0.82 -4.84 105.19 106.57 3hre n GLY 213 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3hre n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hre n ASN 214 N 0.44 2.59 0.00 1.61 5.15 -0.81 -4.87 115.26 119.37 3hre n ASN 214 Ca 0.13 1.20 0.11 0.00 -0.60 0.00 0.00 54.58 55.42 3hre n ASN 214 Cb 0.30 -1.46 -0.10 0.00 -0.53 0.00 0.00 39.78 37.99 3hre n ASN 214 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3hre n THR 215 N 0.40 0.03 -0.71 -0.44 -2.24 -0.83 -4.58 114.28 105.90 3hre n THR 215 Ca 0.06 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 3hre n THR 215 Cb 0.35 0.56 0.32 0.00 -2.10 0.00 0.00 70.33 69.47 3hre n THR 215 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hre n THR 216 N -1.79 2.03 0.30 4.28 -2.24 -1.26 -4.69 114.28 110.90 3hre n THR 216 Ca 0.01 -1.38 0.05 0.00 -2.27 0.00 0.00 64.05 60.46 3hre n THR 216 Cb 0.42 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.71 3hre n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hre n GLY 217 N 0.55 0.24 0.32 3.38 0.00 -1.26 -4.70 105.19 103.73 3hre n GLY 217 Ca 0.23 -0.30 0.21 0.00 0.00 0.00 0.00 46.02 46.17 3hre n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hre h ALA 218 N 1.94 1.02 -0.01 4.61 0.00 -1.92 -2.41 119.26 122.48 3hre h ALA 218 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hre h ALA 218 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hre h ALA 218 CO 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.82 3hre n ALA 219 N -2.09 3.47 -2.02 0.00 0.00 -1.26 -3.27 120.51 115.33 3hre n ALA 219 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3hre n ALA 219 Cb 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hre n ALA 219 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hre n SER 220 N -0.41 0.00 -0.22 0.00 7.64 -0.91 -4.30 113.62 115.43 3hre n SER 220 Ca 0.10 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.00 3hre n SER 220 Cb 0.41 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.74 3hre n SER 220 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hre h ILE 221 N 0.00 0.53 -0.88 0.44 2.04 -1.79 -1.49 117.51 116.37 3hre h ILE 221 Ca 0.00 -0.07 0.19 0.00 1.00 0.00 0.00 64.86 65.98 3hre h ILE 221 Cb 0.00 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 3hre h ILE 221 CO 0.00 0.04 0.58 -0.09 0.00 0.00 0.00 178.15 178.68 3hre h ARG 222 N 0.20 0.43 0.00 2.37 9.65 -1.85 -0.50 114.38 124.68 3hre h ARG 222 Ca 0.35 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.19 3hre h ARG 222 Cb 0.57 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3hre h ARG 222 CO -0.49 0.28 -0.05 0.00 2.80 0.00 0.00 179.97 182.51 3hre h ALA 223 N 1.62 1.08 -0.01 2.80 0.00 -1.25 -2.57 119.26 120.91 3hre h ALA 223 Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hre h ALA 223 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hre h ALA 223 CO -0.17 0.07 -0.30 0.41 0.00 0.00 0.00 179.25 179.25 3hre n GLY 224 N -0.40 -0.24 3.90 0.00 0.00 -0.20 -4.95 105.19 103.31 3hre n GLY 224 Ca -0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 3hre n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hre s LEU 225 N -2.42 4.19 0.35 0.99 1.43 -0.97 -3.44 118.68 118.80 3hre s LEU 225 Ca 0.24 0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 53.70 3hre s LEU 225 Cb 0.19 -3.40 -0.12 0.00 0.03 0.00 0.00 46.19 42.89 3hre s LEU 225 CO 0.51 -0.06 1.20 -2.65 0.23 0.00 0.00 176.35 175.59 3hre n PRO 226 N -0.39 1.87 -0.11 1.29 -0.02 -1.26 -4.88 135.00 131.50 3hre n PRO 226 Ca -0.02 0.66 0.16 0.00 -2.02 0.00 0.00 63.50 62.28 3hre n PRO 226 Cb 0.53 -2.21 0.55 0.00 -0.02 0.00 0.00 33.50 32.34 3hre n PRO 226 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3hre h THR 227 N 2.27 0.80 0.00 3.45 1.35 -1.97 -1.83 112.91 116.98 3hre h THR 227 Ca -0.45 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 3hre h THR 227 Cb 1.30 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3hre h THR 227 CO 0.61 0.06 -0.10 0.77 -0.25 0.00 0.00 175.52 176.61 3hre h SER 228 N 0.31 0.00 -4.22 5.36 4.64 -2.00 -3.44 113.55 114.20 3hre h SER 228 Ca 0.33 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.15 3hre h SER 228 Cb 0.84 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.00 3hre h SER 228 CO -0.08 0.10 0.38 0.26 -0.87 0.00 0.00 176.83 176.61 3hre s TRP 229 N -3.94 3.06 0.24 4.77 0.52 -0.69 -4.67 118.94 118.23 3hre s TRP 229 Ca -0.01 1.49 0.10 0.00 0.02 0.00 0.00 56.10 57.69 3hre s TRP 229 Cb 0.11 -2.96 -0.05 0.00 -1.15 0.00 0.00 33.47 29.43 3hre s TRP 229 CO 0.56 -1.06 -0.17 0.95 0.02 0.00 0.00 176.95 177.25 3hre s THR 230 N -2.58 2.12 0.11 2.01 -4.23 -0.92 -4.99 115.64 107.16 3hre s THR 230 Ca 0.62 -2.30 -0.26 0.00 -1.18 0.00 0.00 61.69 58.57 3hre s THR 230 Cb -0.15 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.60 3hre s THR 230 CO 0.40 -0.49 0.85 0.00 -0.54 0.00 0.00 174.62 174.84 3hre s ALA 231 N -2.70 -1.66 0.04 3.99 0.00 -1.26 -0.39 121.76 119.78 3hre s ALA 231 Ca 0.26 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.75 3hre s ALA 231 Cb -0.03 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 3hre s ALA 231 CO 0.11 -0.87 -0.19 0.20 0.00 0.00 0.00 175.76 175.01 3hre s GLY 232 N -2.74 1.04 0.24 0.00 0.00 -0.26 -4.58 107.32 101.02 3hre s GLY 232 Ca 0.08 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.64 3hre s GLY 232 CO -0.04 -0.91 0.57 0.51 0.00 0.00 0.00 173.10 173.23 3hre s ASP 233 N -1.08 -0.20 -0.05 1.64 -4.77 -0.94 -1.58 116.67 109.70 3hre s ASP 233 Ca 0.06 -0.69 -0.02 0.00 -3.30 0.00 0.00 52.55 48.61 3hre s ASP 233 Cb -0.08 0.63 0.03 0.00 -1.09 0.00 0.00 42.92 42.40 3hre s ASP 233 CO 0.01 -1.18 0.04 -0.75 0.70 0.00 0.00 175.17 173.99 3hre s LYS 234 N -3.94 0.20 0.61 2.11 2.47 -0.17 -4.69 119.74 116.32 3hre s LYS 234 Ca 0.15 0.26 -0.04 0.00 -1.56 0.00 0.00 55.97 54.78 3hre s LYS 234 Cb -0.02 -0.68 0.03 0.00 -1.46 0.00 0.00 37.83 35.69 3hre s LYS 234 CO 0.05 -0.31 0.90 0.95 0.16 0.00 0.00 175.35 177.10 3hre s THR 235 N 2.05 3.06 -0.03 3.43 -4.23 -1.26 -1.60 115.64 117.05 3hre s THR 235 Ca 0.04 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.27 3hre s THR 235 Cb -0.12 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.49 3hre s THR 235 CO -0.04 -0.22 0.11 -0.83 -0.54 0.00 0.00 174.62 173.10 3hre s GLY 236 N -4.39 -0.03 -0.08 3.99 0.00 -0.23 -3.24 107.32 103.34 3hre s GLY 236 Ca 0.56 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 3hre s GLY 236 CO 0.43 0.07 0.19 -0.45 0.00 0.00 0.00 173.10 173.35 3hre s SER 237 N -0.43 -0.18 0.01 1.64 0.15 -1.26 -0.88 113.70 112.74 3hre s SER 237 Ca -0.05 0.39 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 3hre s SER 237 Cb -0.03 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3hre s SER 237 CO 0.00 -0.13 0.01 0.61 1.20 0.00 0.00 173.24 174.93 3hre n GLY 238 N 3.87 2.60 3.57 9.45 0.00 -0.49 -4.57 105.19 119.63 3hre n GLY 238 Ca -0.22 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 3hre n GLY 238 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hre s ASP 240 N -1.03 1.36 -1.76 1.61 1.01 -0.69 -2.74 116.67 114.43 3hre s ASP 240 Ca 0.00 1.05 -0.00 0.00 0.71 0.00 0.00 52.55 54.31 3hre s ASP 240 Cb -0.00 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.33 3hre s ASP 240 CO 0.00 -3.90 0.04 -1.22 0.21 0.00 0.00 175.17 170.31 3hre n TYR 241 N -4.67 -1.05 -2.71 4.23 4.01 0.12 -1.88 117.16 115.21 3hre n TYR 241 Ca 0.07 0.04 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 3hre n TYR 241 Cb 0.58 -3.99 -0.00 0.00 -0.31 0.00 0.00 39.34 35.61 3hre n TYR 241 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hre n GLY 242 N -1.05 -0.50 3.66 2.72 0.00 -1.20 -0.34 105.19 108.48 3hre n GLY 242 Ca -0.24 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3hre n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hre s THR 243 N -2.77 3.63 -0.18 2.61 2.01 -0.79 -4.46 115.64 115.70 3hre s THR 243 Ca 0.12 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.92 3hre s THR 243 Cb -0.06 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.98 3hre s THR 243 CO 0.15 -0.06 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.12 3hre s THR 244 N 3.77 0.86 0.24 -0.82 2.01 0.20 -1.39 115.64 120.50 3hre s THR 244 Ca 0.71 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.17 3hre s THR 244 Cb -0.32 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 3hre s THR 244 CO 0.28 -0.02 -0.08 0.20 -0.69 0.00 0.00 174.62 174.31 3hre s ASN 245 N 1.73 2.46 -0.28 3.53 0.01 -0.06 -1.86 114.94 120.47 3hre s ASN 245 Ca -0.00 -1.12 -0.23 0.00 -0.71 0.00 0.00 52.86 50.79 3hre s ASN 245 Cb -0.16 -0.11 0.09 0.00 0.41 0.00 0.00 41.25 41.48 3hre s ASN 245 CO -0.07 -0.31 0.82 -0.62 -1.51 0.00 0.00 177.10 175.41 3hre s ASP 246 N -3.36 -0.68 -0.05 -1.22 2.15 -0.35 -1.07 116.67 112.10 3hre s ASP 246 Ca 0.26 1.25 0.03 0.00 0.43 0.00 0.00 52.55 54.51 3hre s ASP 246 Cb 0.02 1.27 0.01 0.00 -0.30 0.00 0.00 42.92 43.92 3hre s ASP 246 CO 0.09 -0.21 -0.12 0.27 -0.17 0.00 0.00 175.17 175.03 3hre s ILE 247 N 0.63 1.08 0.04 4.11 -4.36 -0.63 -0.92 121.20 121.15 3hre s ILE 247 Ca -0.02 -0.47 -0.04 0.00 -0.26 0.00 0.00 60.65 59.86 3hre s ILE 247 Cb -0.05 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 3hre s ILE 247 CO -0.06 0.34 0.07 0.00 0.24 0.00 0.00 174.94 175.53 3hre s ALA 248 N 0.49 0.02 -0.20 2.27 0.00 0.61 -1.00 121.76 123.96 3hre s ALA 248 Ca -0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 3hre s ALA 248 Cb -0.14 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3hre s ALA 248 CO 0.03 -0.31 -0.10 0.08 0.00 0.00 0.00 175.76 175.45 3hre s VAL 249 N -2.70 2.95 -0.02 0.00 1.01 -0.61 -0.77 120.40 120.26 3hre s VAL 249 Ca -0.04 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3hre s VAL 249 Cb -0.01 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3hre s VAL 249 CO -0.05 0.47 -0.25 -0.63 0.00 0.00 0.00 175.10 174.64 3hre s ILE 250 N 1.27 2.16 -0.54 2.22 1.01 0.46 -1.10 121.20 126.68 3hre s ILE 250 Ca 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 3hre s ILE 250 Cb -0.14 -1.76 0.14 0.00 0.01 0.00 0.00 42.46 40.71 3hre s ILE 250 CO -0.05 0.58 0.33 0.26 0.00 0.00 0.00 174.94 176.06 3hre s TRP 251 N -0.61 3.40 0.73 3.97 0.51 0.48 -0.41 118.94 127.01 3hre s TRP 251 Ca 0.10 -2.82 -0.11 0.00 -2.12 0.00 0.00 56.10 51.15 3hre s TRP 251 Cb -0.10 -3.08 0.03 0.00 -0.81 0.00 0.00 33.47 29.51 3hre s TRP 251 CO -0.01 -0.84 1.07 -2.14 -0.51 0.00 0.00 176.95 174.52 3hre s PRO 252 N 0.11 2.65 0.02 4.98 0.02 -1.26 -2.16 135.00 139.37 3hre s PRO 252 Ca 0.15 1.03 -0.30 0.00 0.02 0.00 0.00 61.00 61.90 3hre s PRO 252 Cb -0.22 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 3hre s PRO 252 CO -0.03 -1.32 1.81 -1.14 -0.33 0.00 0.00 177.00 175.99 3hre s GLN 254 N -4.99 4.16 -1.60 5.54 2.00 -1.26 -2.71 119.66 120.79 3hre s GLN 254 Ca 0.59 2.44 0.00 0.00 -2.00 0.00 0.00 55.36 56.40 3hre s GLN 254 Cb -0.15 -3.97 0.00 0.00 0.80 0.00 0.00 33.01 29.69 3hre s GLN 254 CO 0.55 -0.88 0.00 0.41 -0.50 0.00 0.00 175.29 174.87 3hre n GLY 255 N 4.31 1.51 3.23 2.59 0.00 -1.26 -5.00 105.19 110.56 3hre n GLY 255 Ca 0.18 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3hre n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hre s ARG 256 N -3.23 0.99 0.68 1.61 0.52 -1.10 -5.15 118.95 113.28 3hre s ARG 256 Ca 0.00 -1.39 -0.14 0.00 -0.52 0.00 0.00 55.73 53.68 3hre s ARG 256 Cb 0.00 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.94 3hre s ARG 256 CO 0.00 0.06 1.11 0.00 0.02 0.00 0.00 175.30 176.49 3hre s ALA 257 N -3.26 2.40 0.79 2.13 0.00 -1.26 -4.28 121.76 118.29 3hre s ALA 257 Ca 0.14 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3hre s ALA 257 Cb 0.02 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3hre s ALA 257 CO -0.00 -1.40 1.13 -1.25 0.00 0.00 0.00 175.76 174.23 3hre s PRO 258 N -4.21 1.98 0.24 0.00 0.04 -1.26 -4.55 135.00 127.24 3hre s PRO 258 Ca 0.66 1.42 0.11 0.00 0.04 0.00 0.00 61.00 63.23 3hre s PRO 258 Cb -0.21 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3hre s PRO 258 CO 0.44 -1.89 -0.17 -0.51 0.04 0.00 0.00 177.00 174.91 3hre s LEU 259 N -5.80 2.68 -0.10 -3.56 1.43 0.45 -1.62 118.68 112.16 3hre s LEU 259 Ca 0.66 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3hre s LEU 259 Cb -0.21 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.74 3hre s LEU 259 CO 0.52 0.07 -0.18 -0.69 0.23 0.00 0.00 176.35 176.30 3hre s VAL 260 N -2.14 1.68 -0.03 -1.59 1.01 -0.23 -0.41 120.40 118.69 3hre s VAL 260 Ca 0.27 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hre s VAL 260 Cb -0.06 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.84 3hre s VAL 260 CO 0.14 0.48 -0.03 -0.22 0.00 0.00 0.00 175.10 175.47 3hre s LEU 261 N 0.71 1.40 -0.10 3.92 2.96 0.05 -0.80 118.68 126.83 3hre s LEU 261 Ca -0.12 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3hre s LEU 261 Cb -0.16 -0.32 -0.00 0.00 0.50 0.00 0.00 46.19 46.21 3hre s LEU 261 CO 0.02 -0.05 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.08 3hre s VAL 262 N 0.76 2.11 -0.16 1.68 1.01 0.02 -0.29 120.40 125.53 3hre s VAL 262 Ca -0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 3hre s VAL 262 Cb -0.12 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3hre s VAL 262 CO -0.01 0.56 -0.02 0.42 0.00 0.00 0.00 175.10 176.06 3hre s THR 263 N 0.27 0.80 -0.04 3.92 -4.23 -0.09 -1.63 115.64 114.64 3hre s THR 263 Ca -0.17 -0.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 3hre s THR 263 Cb -0.17 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 3hre s THR 263 CO 0.08 0.05 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.73 3hre s TYR 264 N 1.76 2.60 -0.10 3.99 2.02 0.58 -1.20 117.35 127.00 3hre s TYR 264 Ca 0.01 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.42 3hre s TYR 264 Cb -0.15 -1.58 0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3hre s TYR 264 CO -0.07 0.13 0.23 0.12 -1.57 0.00 0.00 175.55 174.40 3hre s PHE 265 N -0.71 -0.30 0.02 2.71 5.36 -0.78 -0.40 117.98 123.87 3hre s PHE 265 Ca 0.11 0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 56.78 3hre s PHE 265 Cb -0.10 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 3hre s PHE 265 CO 0.00 -0.21 0.04 -0.08 -1.46 0.00 0.00 175.22 173.52 3hre s THR 266 N 1.03 0.11 0.31 0.12 -1.32 -0.57 -0.63 115.64 114.68 3hre s THR 266 Ca -0.07 -0.90 0.10 0.00 -1.21 0.00 0.00 61.69 59.61 3hre s THR 266 Cb -0.09 -0.46 -0.06 0.00 -1.51 0.00 0.00 72.50 70.39 3hre s THR 266 CO -0.07 -0.49 -0.12 -1.10 -2.21 0.00 0.00 174.62 170.63 3hre s GLN 267 N -1.69 1.70 0.39 7.08 -0.21 0.53 -0.70 119.66 126.77 3hre s GLN 267 Ca -0.13 -1.84 0.21 0.00 0.02 0.00 0.00 55.36 53.61 3hre s GLN 267 Cb -0.07 -1.60 0.69 0.00 1.00 0.00 0.00 33.01 33.03 3hre s GLN 267 CO -0.01 0.18 1.73 -1.35 -2.12 0.00 0.00 175.29 173.72 3hre h PRO 268 N 2.17 0.00 -5.54 2.91 0.11 -1.83 -3.44 132.00 126.37 3hre h PRO 268 Ca -0.41 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.06 3hre h PRO 268 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 3hre h PRO 268 CO 0.66 0.32 -0.53 -0.65 -0.21 0.00 0.00 178.00 177.60 3hre s GLN 269 N -3.52 3.63 0.30 1.05 -1.52 -1.26 -5.01 119.66 113.33 3hre s GLN 269 Ca 0.01 -0.24 0.04 0.00 -1.95 0.00 0.00 55.36 53.22 3hre s GLN 269 Cb 0.10 -3.17 0.68 0.00 -0.22 0.00 0.00 33.01 30.39 3hre s GLN 269 CO 0.67 0.56 1.80 0.37 -0.25 0.00 0.00 175.29 178.44 3hre h GLN 270 N 5.73 0.83 -0.67 2.91 4.15 -1.91 -2.01 115.11 124.14 3hre h GLN 270 Ca -0.47 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3hre h GLN 270 Cb 1.19 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3hre h GLN 270 CO 0.64 0.55 0.00 0.27 -1.93 0.00 0.00 178.83 178.35 3hre n ASN 271 N -4.70 4.01 -4.68 -0.69 0.23 -1.26 -0.71 115.26 107.47 3hre n ASN 271 Ca 0.21 -2.51 -0.38 0.00 -0.53 0.00 0.00 54.58 51.37 3hre n ASN 271 Cb 0.49 -0.57 0.05 0.00 -2.08 0.00 0.00 39.78 37.66 3hre n ASN 271 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hre n ALA 272 N 0.57 0.80 -1.76 -2.53 0.00 -0.75 -4.86 120.51 111.97 3hre n ALA 272 Ca 0.19 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 3hre n ALA 272 Cb 0.82 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 3hre n ALA 272 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hre s GLU 273 N -2.84 3.55 0.60 0.00 -1.05 -1.26 -3.23 118.70 114.47 3hre s GLU 273 Ca 0.75 1.43 -0.18 0.00 -0.15 0.00 0.00 54.97 56.82 3hre s GLU 273 Cb -0.42 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.18 3hre s GLU 273 CO 0.47 -0.65 1.13 -1.54 0.95 0.00 0.00 175.26 175.63 3hre s SER 274 N -2.03 5.40 -0.45 0.83 1.04 -1.26 -4.65 113.70 112.58 3hre s SER 274 Ca 0.69 2.14 0.09 0.00 0.48 0.00 0.00 55.95 59.34 3hre s SER 274 Cb -0.19 -2.57 0.30 0.00 0.10 0.00 0.00 66.02 63.66 3hre s SER 274 CO 0.25 -1.44 0.69 0.54 0.98 0.00 0.00 173.24 174.26 3hre n ARG 275 N -1.78 1.47 0.25 4.02 5.12 -1.26 -4.91 116.66 119.57 3hre n ARG 275 Ca 0.11 -3.76 0.10 0.00 -1.93 0.00 0.00 57.85 52.38 3hre n ARG 275 Cb 0.51 -1.70 0.66 0.00 -1.16 0.00 0.00 32.46 30.77 3hre n ARG 275 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hre h ARG 276 N 3.54 0.00 -0.29 5.56 3.08 -1.94 -1.59 114.38 122.73 3hre h ARG 276 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hre h ARG 276 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3hre h ARG 276 CO 0.59 0.13 0.17 0.38 -1.07 0.00 0.00 179.97 180.17 3hre h ASP 277 N 0.00 0.33 -0.55 7.04 2.03 -1.91 -1.22 116.42 122.15 3hre h ASP 277 Ca -0.00 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.19 3hre h ASP 277 Cb 0.29 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 3hre h ASP 277 CO 0.02 0.26 -0.01 0.58 -1.03 0.00 0.00 179.24 179.06 3hre h VAL 278 N 0.39 1.26 -0.49 4.15 2.07 -1.65 -0.33 116.25 121.66 3hre h VAL 278 Ca 0.10 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 3hre h VAL 278 Cb -0.01 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3hre h VAL 278 CO -0.02 0.41 -0.06 -0.07 0.02 0.00 0.00 177.57 177.85 3hre h LEU 279 N 0.92 0.89 -0.65 2.57 3.38 -1.31 -0.66 115.31 120.45 3hre h LEU 279 Ca 0.16 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hre h LEU 279 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3hre h LEU 279 CO 0.03 1.02 0.39 0.00 0.09 0.00 0.00 178.44 179.97 3hre h ALA 280 N 0.91 0.83 -0.67 1.53 0.00 -1.06 -0.72 119.26 120.08 3hre h ALA 280 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hre h ALA 280 Cb 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hre h ALA 280 CO 0.04 0.31 0.31 0.77 0.00 0.00 0.00 179.25 180.68 3hre h SER 281 N 0.88 0.88 -0.59 0.00 0.02 -0.78 -0.50 113.55 113.45 3hre h SER 281 Ca 0.23 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3hre h SER 281 Cb -0.02 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3hre h SER 281 CO -0.04 0.77 0.25 0.00 -1.14 0.00 0.00 176.83 176.68 3hre h ALA 282 N 1.14 0.77 -0.76 3.77 0.00 -0.67 -1.52 119.26 121.98 3hre h ALA 282 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hre h ALA 282 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hre h ALA 282 CO -0.03 0.37 0.30 0.00 0.00 0.00 0.00 179.25 179.89 3hre h ALA 283 N 1.10 1.08 -0.61 0.00 0.00 -0.75 -1.42 119.26 118.66 3hre h ALA 283 Ca 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hre h ALA 283 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hre h ALA 283 CO -0.02 0.65 0.21 -0.09 0.00 0.00 0.00 179.25 180.00 3hre h ARG 284 N 1.11 0.93 -0.45 0.00 2.43 -0.69 0.37 114.38 118.08 3hre h ARG 284 Ca 0.25 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hre h ARG 284 Cb 0.22 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hre h ARG 284 CO -0.02 0.82 0.22 0.82 -1.51 0.00 0.00 179.97 180.30 3hre h ILE 285 N 0.86 1.18 -0.45 1.20 2.04 -0.99 -0.34 117.51 121.01 3hre h ILE 285 Ca 0.20 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3hre h ILE 285 Cb 0.26 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3hre h ILE 285 CO -0.01 0.20 0.26 0.40 0.00 0.00 0.00 178.15 178.99 3hre h ILE 286 N 0.59 1.16 -0.65 -0.67 1.08 -0.96 -1.57 117.51 116.49 3hre h ILE 286 Ca 0.16 -0.38 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 3hre h ILE 286 Cb 0.11 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3hre h ILE 286 CO -0.02 0.16 0.14 0.00 -0.69 0.00 0.00 178.15 177.74 3hre h ALA 287 N 1.11 0.86 0.00 1.87 0.00 -0.68 -2.63 119.26 119.79 3hre h ALA 287 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hre h ALA 287 Cb 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hre h ALA 287 CO -0.03 0.60 -0.04 0.93 0.00 0.00 0.00 179.25 180.71 3hre h GLU 288 N 0.98 0.00 -0.00 0.00 5.08 -0.88 -3.01 114.58 116.74 3hre h GLU 288 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hre h GLU 288 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hre h GLU 288 CO 0.01 0.04 -0.25 0.41 -1.00 0.00 0.00 179.01 178.22 3hre n GLY 289 N 0.10 -1.00 0.00 -3.84 0.00 -0.61 -5.09 105.19 94.75 3hre n GLY 289 Ca 0.01 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.82 3hre n GLY 289 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36