#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hju n ARG 8 N 0.00 0.00 -4.68 0.54 1.74 -1.26 -4.44 116.66 108.57 3hju n ARG 8 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3hju n ARG 8 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 3hju n ARG 8 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hju s ARG 9 N -2.05 2.61 0.98 5.56 0.52 -1.26 -1.21 118.95 124.10 3hju s ARG 9 Ca 0.00 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.46 3hju s ARG 9 Cb 0.00 -2.49 0.18 0.00 0.52 0.00 0.00 34.95 33.16 3hju s ARG 9 CO 0.00 0.64 1.12 0.25 0.02 0.00 0.00 175.30 177.32 3hju n THR 10 N 2.09 0.00 0.28 0.02 -2.24 0.24 -4.80 114.28 109.88 3hju n THR 10 Ca -0.17 -0.10 0.19 0.00 -2.27 0.00 0.00 64.05 61.69 3hju n THR 10 Cb 0.53 -1.00 1.00 0.00 -2.10 0.00 0.00 70.33 68.76 3hju n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3hju h PRO 11 N -2.09 0.00 -0.17 -0.78 0.11 -2.00 0.14 132.00 127.21 3hju h PRO 11 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hju h PRO 11 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hju h PRO 11 CO 0.43 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.26 3hju n GLN 12 N -2.80 1.38 -0.27 1.05 3.00 -1.26 -4.88 117.38 113.61 3hju n GLN 12 Ca -0.02 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 3hju n GLN 12 Cb 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.18 3hju n GLN 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3hju n SER 13 N -0.03 0.00 -4.74 1.08 7.64 0.49 -5.03 113.62 113.03 3hju n SER 13 Ca 0.05 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 3hju n SER 13 Cb 0.14 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.26 3hju n SER 13 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hju s ILE 14 N -2.65 5.20 0.30 0.44 1.01 -1.21 -4.72 121.20 119.57 3hju s ILE 14 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 3hju s ILE 14 Cb 0.00 -3.32 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 3hju s ILE 14 CO 0.00 0.51 1.52 -2.16 0.00 0.00 0.00 174.94 174.81 3hju s PRO 15 N -0.11 4.17 0.46 2.79 0.04 -1.26 0.80 135.00 141.89 3hju s PRO 15 Ca 0.09 2.49 0.21 0.00 0.04 0.00 0.00 61.00 63.83 3hju s PRO 15 Cb -0.12 -3.04 1.13 0.00 0.04 0.00 0.00 34.50 32.52 3hju s PRO 15 CO 0.00 -0.53 1.97 1.88 0.04 0.00 0.00 177.00 180.36 3hju h TYR 16 N 4.48 0.00 0.00 0.56 0.05 -1.37 -2.86 116.97 117.82 3hju h TYR 16 Ca -0.48 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.25 3hju h TYR 16 Cb 1.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 3hju h TYR 16 CO 0.58 0.21 -0.27 1.96 -1.05 0.00 0.00 178.16 179.59 3hju h GLN 17 N 0.00 0.00 -0.86 4.88 4.20 -1.85 -3.12 115.11 118.35 3hju h GLN 17 Ca -0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 3hju h GLN 17 Cb 0.47 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 3hju h GLN 17 CO 0.03 0.27 0.56 -0.44 -0.67 0.00 0.00 178.83 178.57 3hju h ASP 18 N 0.00 0.66 -2.60 1.46 3.32 -1.89 -3.44 116.42 113.93 3hju h ASP 18 Ca -0.00 0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.53 3hju h ASP 18 Cb 1.13 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 3hju h ASP 18 CO 0.03 0.35 -0.51 -0.76 -1.72 0.00 0.00 179.24 176.63 3hju s LEU 19 N -9.79 4.06 0.29 1.55 2.01 -1.18 -5.06 118.68 110.57 3hju s LEU 19 Ca -0.10 0.01 -0.29 0.00 0.01 0.00 0.00 54.13 53.76 3hju s LEU 19 Cb 0.21 -2.65 -0.13 0.00 0.01 0.00 0.00 46.19 43.63 3hju s LEU 19 CO 0.79 0.05 1.24 -2.65 1.01 0.00 0.00 176.35 176.79 3hju n PRO 20 N -0.50 1.84 -3.86 1.29 -0.02 -1.26 -4.92 135.00 127.57 3hju n PRO 20 Ca -0.08 0.65 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3hju n PRO 20 Cb 0.55 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3hju n PRO 20 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3hju s HIS 21 N -0.77 0.09 0.02 6.00 -3.43 -1.26 -1.78 115.29 114.15 3hju s HIS 21 Ca 0.61 -0.58 -0.17 0.00 -0.80 0.00 0.00 55.06 54.11 3hju s HIS 21 Cb -0.64 0.75 0.03 0.00 -1.43 0.00 0.00 32.58 31.29 3hju s HIS 21 CO 0.58 -1.15 0.37 -1.17 -2.00 0.00 0.00 174.74 171.37 3hju s LEU 22 N -3.28 0.59 -0.21 5.38 0.20 -0.43 -4.82 118.68 116.10 3hju s LEU 22 Ca 0.19 0.04 -0.03 0.00 0.69 0.00 0.00 54.13 55.03 3hju s LEU 22 Cb -0.03 1.55 -0.00 0.00 -0.43 0.00 0.00 46.19 47.27 3hju s LEU 22 CO 0.07 -0.57 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.80 3hju s VAL 23 N -1.99 3.13 0.89 1.68 1.01 -1.26 -1.02 120.40 122.84 3hju s VAL 23 Ca -0.09 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3hju s VAL 23 Cb -0.02 -2.41 0.17 0.00 0.00 0.00 0.00 36.38 34.11 3hju s VAL 23 CO 0.01 0.44 1.24 0.54 0.00 0.00 0.00 175.10 177.33 3hju s ASN 24 N 1.44 3.58 0.59 3.32 2.20 -0.33 -4.87 114.94 120.88 3hju s ASN 24 Ca 0.06 0.24 0.35 0.00 -0.94 0.00 0.00 52.86 52.56 3hju s ASN 24 Cb -0.14 -0.42 1.88 0.00 -2.00 0.00 0.00 41.25 40.57 3hju s ASN 24 CO -0.05 -2.43 2.21 0.00 -2.94 0.00 0.00 177.10 173.89 3hju h ALA 25 N -1.33 1.19 -0.23 3.54 0.00 -1.97 0.71 119.26 121.16 3hju h ALA 25 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hju h ALA 25 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hju h ALA 25 CO 0.43 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 3hju n ASP 26 N -3.40 1.86 -0.03 0.00 8.00 -1.26 -4.91 116.55 116.81 3hju n ASP 26 Ca -0.02 -1.79 -0.00 0.00 0.71 0.00 0.00 54.79 53.68 3hju n ASP 26 Cb 0.15 -0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3hju n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hju n GLY 27 N 1.15 0.46 3.86 0.44 0.00 0.24 -5.05 105.19 106.29 3hju n GLY 27 Ca 0.16 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3hju n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hju s GLN 28 N -1.07 3.73 -0.14 1.61 -0.21 -1.25 -4.80 119.66 117.52 3hju s GLN 28 Ca 0.00 0.15 -0.29 0.00 0.02 0.00 0.00 55.36 55.24 3hju s GLN 28 Cb 0.00 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 3hju s GLN 28 CO 0.00 0.64 0.98 0.71 -2.12 0.00 0.00 175.29 175.49 3hju s TYR 29 N -1.26 3.47 -0.18 0.91 2.02 -1.26 -1.18 117.35 119.87 3hju s TYR 29 Ca 0.28 1.50 -0.08 0.00 -0.37 0.00 0.00 57.07 58.40 3hju s TYR 29 Cb -0.14 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 3hju s TYR 29 CO 0.15 -0.27 0.10 -0.51 -1.57 0.00 0.00 175.55 173.45 3hju s LEU 30 N 2.23 4.04 0.26 -1.29 1.43 -0.19 -0.22 118.68 124.93 3hju s LEU 30 Ca 0.45 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 3hju s LEU 30 Cb -0.17 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 3hju s LEU 30 CO 0.15 0.22 1.12 0.12 0.23 0.00 0.00 176.35 178.18 3hju s PHE 31 N 0.11 3.55 0.17 0.29 5.36 -1.26 -1.31 117.98 124.89 3hju s PHE 31 Ca 0.07 1.65 0.11 0.00 -0.96 0.00 0.00 56.93 57.80 3hju s PHE 31 Cb -0.12 -3.31 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 3hju s PHE 31 CO -0.00 -0.67 -0.23 0.00 -1.46 0.00 0.00 175.22 172.86 3hju s ARG 33 N -2.50 0.60 -0.05 0.00 0.52 -0.12 -4.62 118.95 112.78 3hju s ARG 33 Ca 0.17 -0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 3hju s ARG 33 Cb -0.08 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.80 3hju s ARG 33 CO 0.08 0.12 -0.15 0.71 0.02 0.00 0.00 175.30 176.08 3hju s TYR 34 N -0.00 1.58 -0.35 -0.53 2.02 -1.26 -1.50 117.35 117.30 3hju s TYR 34 Ca 0.00 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3hju s TYR 34 Cb -0.04 -1.09 0.10 0.00 -0.40 0.00 0.00 41.96 40.53 3hju s TYR 34 CO -0.00 -0.20 0.08 -1.58 -1.57 0.00 0.00 175.55 172.28 3hju s TRP 35 N 0.25 3.17 -0.12 2.71 0.51 0.34 -5.03 118.94 120.77 3hju s TRP 35 Ca -0.07 -2.69 -0.04 0.00 -2.12 0.00 0.00 56.10 51.17 3hju s TRP 35 Cb -0.13 -2.59 -0.04 0.00 -0.81 0.00 0.00 33.47 29.90 3hju s TRP 35 CO 0.03 -0.91 0.03 0.15 -0.51 0.00 0.00 176.95 175.73 3hju s LYS 36 N 0.97 3.39 0.29 4.98 1.02 -1.26 -2.16 119.74 126.97 3hju s LYS 36 Ca 0.11 -0.37 -0.26 0.00 0.02 0.00 0.00 55.97 55.47 3hju s LYS 36 Cb -0.19 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.06 3hju s LYS 36 CO -0.11 0.54 0.92 -1.25 -0.92 0.00 0.00 175.35 174.52 3hju s PRO 37 N -0.41 4.61 0.24 -1.68 0.04 -1.26 -4.97 135.00 131.57 3hju s PRO 37 Ca 0.08 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.36 3hju s PRO 37 Cb -0.12 -2.92 0.42 0.00 0.04 0.00 0.00 34.50 31.92 3hju s PRO 37 CO 0.02 0.35 1.63 1.15 0.04 0.00 0.00 177.00 180.19 3hju h THR 38 N 2.75 0.33 -2.59 1.26 2.02 -1.98 -3.43 112.91 111.28 3hju h THR 38 Ca -0.47 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 3hju h THR 38 Cb 1.19 0.24 0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3hju h THR 38 CO 0.66 0.02 0.05 0.61 0.37 0.00 0.00 175.52 177.23 3hju n GLY 39 N -1.43 -0.74 3.74 2.16 0.00 -1.26 -5.00 105.19 102.66 3hju n GLY 39 Ca 0.13 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3hju n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hju s THR 40 N -1.17 3.90 0.33 2.61 -1.32 -1.26 -4.98 115.64 113.75 3hju s THR 40 Ca 0.11 1.63 -0.21 0.00 -1.21 0.00 0.00 61.69 62.01 3hju s THR 40 Cb -0.00 -4.04 -0.10 0.00 -1.51 0.00 0.00 72.50 66.85 3hju s THR 40 CO 0.08 0.27 0.86 -2.16 -2.21 0.00 0.00 174.62 171.46 3hju s PRO 41 N -0.29 4.31 0.34 7.08 0.04 -1.26 -4.96 135.00 140.26 3hju s PRO 41 Ca 0.50 1.06 0.18 0.00 0.04 0.00 0.00 61.00 62.77 3hju s PRO 41 Cb -0.29 -2.57 0.21 0.00 0.04 0.00 0.00 34.50 31.89 3hju s PRO 41 CO 0.34 0.19 1.52 0.87 0.04 0.00 0.00 177.00 179.96 3hju h LYS 42 N 2.68 0.00 -2.02 4.56 1.57 -1.16 -3.49 116.57 118.72 3hju h LYS 42 Ca -0.48 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.48 3hju h LYS 42 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 3hju h LYS 42 CO 0.64 0.34 0.60 0.00 -0.57 0.00 0.00 179.45 180.46 3hju s ALA 43 N -3.08 -1.89 -0.05 3.86 0.00 -1.25 -4.48 121.76 114.86 3hju s ALA 43 Ca 0.05 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 3hju s ALA 43 Cb 0.07 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 3hju s ALA 43 CO 0.72 -0.77 0.11 -0.51 0.00 0.00 0.00 175.76 175.31 3hju s LEU 44 N -2.54 4.11 -0.07 0.00 1.43 0.20 -0.59 118.68 121.21 3hju s LEU 44 Ca 0.08 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3hju s LEU 44 Cb -0.00 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 44.02 3hju s LEU 44 CO -0.05 0.33 0.01 -0.51 0.23 0.00 0.00 176.35 176.35 3hju s ILE 45 N -1.13 0.33 -0.01 -0.59 2.07 -0.64 0.95 121.20 122.18 3hju s ILE 45 Ca 0.20 0.14 -0.24 0.00 -1.41 0.00 0.00 60.65 59.34 3hju s ILE 45 Cb -0.12 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 3hju s ILE 45 CO 0.10 0.24 0.72 0.12 -1.91 0.00 0.00 174.94 174.21 3hju s PHE 46 N 1.99 3.66 -0.26 3.50 5.36 0.39 -1.09 117.98 131.53 3hju s PHE 46 Ca 0.05 1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 57.29 3hju s PHE 46 Cb -0.12 -2.79 -0.03 0.00 -0.34 0.00 0.00 43.02 39.74 3hju s PHE 46 CO -0.05 0.21 0.09 0.08 -1.46 0.00 0.00 175.22 174.08 3hju s VAL 47 N 0.28 4.39 -0.21 3.12 1.01 -0.23 -0.32 120.40 128.44 3hju s VAL 47 Ca 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 3hju s VAL 47 Cb -0.19 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 3hju s VAL 47 CO 0.20 0.29 0.00 -0.94 0.00 0.00 0.00 175.10 174.65 3hju s SER 48 N 1.62 4.74 0.76 3.32 1.04 0.63 -4.46 113.70 121.34 3hju s SER 48 Ca 0.06 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.14 3hju s SER 48 Cb -0.15 -1.82 0.06 0.00 0.10 0.00 0.00 66.02 64.21 3hju s SER 48 CO 0.04 0.03 1.11 -1.38 0.98 0.00 0.00 173.24 174.02 3hju s HIS 49 N 1.21 2.99 0.83 5.02 -3.43 -1.26 -2.33 115.29 118.32 3hju s HIS 49 Ca 0.03 0.68 -0.06 0.00 -0.80 0.00 0.00 55.06 54.90 3hju s HIS 49 Cb -0.15 -3.33 0.17 0.00 -1.43 0.00 0.00 32.58 27.84 3hju s HIS 49 CO 0.01 -1.57 1.14 0.20 -2.00 0.00 0.00 174.74 172.52 3hju s GLY 50 N -4.53 1.77 0.45 -1.38 0.00 -1.20 -2.82 107.32 99.62 3hju s GLY 50 Ca 0.61 -1.62 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 3hju s GLY 50 CO 0.48 -0.94 1.32 0.00 0.00 0.00 0.00 173.10 173.96 3hju s ALA 51 N -3.46 3.14 0.00 3.20 0.00 -1.26 -2.51 121.76 120.87 3hju s ALA 51 Ca 0.71 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3hju s ALA 51 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3hju s ALA 51 CO 0.48 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3hju n GLY 52 N 0.63 2.00 0.00 0.00 0.00 -1.26 -4.95 105.19 101.61 3hju n GLY 52 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hju n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hju n GLU 53 N -1.89 3.76 -3.82 1.61 0.28 -1.05 -1.19 120.64 118.35 3hju n GLU 53 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 3hju n GLU 53 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 3hju n GLU 53 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 3hju s HIS 54 N 2.07 -0.09 0.34 -1.84 -3.43 -1.26 -4.02 115.29 107.05 3hju s HIS 54 Ca 0.00 -0.34 0.29 0.00 -0.80 0.00 0.00 55.06 54.21 3hju s HIS 54 Cb 0.00 0.71 1.43 0.00 -1.43 0.00 0.00 32.58 33.29 3hju s HIS 54 CO 0.00 -1.12 2.04 0.66 -2.00 0.00 0.00 174.74 174.32 3hju h SER 55 N 2.00 0.00 0.12 7.38 4.64 -1.95 -2.86 113.55 122.88 3hju h SER 55 Ca -0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hju h SER 55 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hju h SER 55 CO 0.28 0.11 -0.01 1.23 -0.87 0.00 0.00 176.83 177.57 3hju h GLY 56 N 1.17 0.00 1.76 -0.77 0.00 -1.98 -2.06 103.07 101.19 3hju h GLY 56 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hju h GLY 56 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3hju n ARG 57 N -3.34 0.23 -0.83 4.80 1.74 -1.08 -3.17 116.66 115.01 3hju n ARG 57 Ca -0.03 0.02 0.08 0.00 -0.77 0.00 0.00 57.85 57.15 3hju n ARG 57 Cb 0.11 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.45 3hju n ARG 57 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hju n TYR 58 N -1.38 1.94 -0.06 -1.55 4.01 -0.77 -4.67 117.16 114.68 3hju n TYR 58 Ca 0.10 -0.69 -0.09 0.00 -0.16 0.00 0.00 57.90 57.06 3hju n TYR 58 Cb 0.27 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 3hju n TYR 58 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3hju h GLU 59 N 4.08 0.24 -0.20 -0.72 4.57 -1.73 0.14 114.58 120.96 3hju h GLU 59 Ca 0.00 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 3hju h GLU 59 Cb 1.85 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.39 3hju h GLU 59 CO 0.42 0.16 -0.54 0.93 -1.18 0.00 0.00 179.01 178.81 3hju h GLU 60 N 0.25 0.72 -0.58 1.92 3.07 -1.89 -1.52 114.58 116.55 3hju h GLU 60 Ca 0.10 -0.51 0.05 0.00 -0.50 0.00 0.00 59.36 58.50 3hju h GLU 60 Cb 0.04 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3hju h GLU 60 CO -0.08 1.13 0.32 1.25 -1.40 0.00 0.00 179.01 180.23 3hju h LEU 61 N 0.43 0.48 -1.19 1.33 5.85 -1.85 -1.96 115.31 118.40 3hju h LEU 61 Ca -0.01 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3hju h LEU 61 Cb 1.15 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3hju h LEU 61 CO 0.12 0.33 0.02 0.00 -0.34 0.00 0.00 178.44 178.56 3hju h ALA 62 N 1.30 1.34 -0.32 1.25 0.00 -0.47 -1.76 119.26 120.60 3hju h ALA 62 Ca 0.25 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3hju h ALA 62 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hju h ALA 62 CO -0.15 0.46 -0.28 0.00 0.00 0.00 0.00 179.25 179.27 3hju h ARG 63 N 0.56 0.64 -0.38 0.00 3.08 -0.93 -0.65 114.38 116.71 3hju h ARG 63 Ca 0.12 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3hju h ARG 63 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3hju h ARG 63 CO 0.01 0.85 0.03 1.98 -1.07 0.00 0.00 179.97 181.78 3hju h MET 64 N 0.56 0.64 -0.57 0.04 4.05 -0.96 -1.61 114.93 117.08 3hju h MET 64 Ca 0.07 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.23 3hju h MET 64 Cb 0.76 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 3hju h MET 64 CO 0.06 0.72 0.06 -0.07 0.23 0.00 0.00 176.91 177.91 3hju h LEU 65 N 0.47 0.89 -1.12 3.39 3.38 -1.06 -2.21 115.31 119.05 3hju h LEU 65 Ca 0.11 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3hju h LEU 65 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hju h LEU 65 CO 0.01 0.91 -0.05 -0.03 0.09 0.00 0.00 178.44 179.38 3hju h MET 66 N 0.87 0.57 0.00 1.13 4.05 -1.00 0.02 114.93 120.57 3hju h MET 66 Ca 0.17 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3hju h MET 66 Cb 0.43 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 3hju h MET 66 CO 0.01 0.62 0.00 0.78 0.23 0.00 0.00 176.91 178.56 3hju h GLY 67 N 0.90 0.00 -1.89 1.39 0.00 -0.65 0.30 103.07 103.11 3hju h GLY 67 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hju h GLY 67 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 3hju n LEU 68 N -2.39 2.80 -1.41 3.11 4.77 -0.04 -4.93 117.00 118.92 3hju n LEU 68 Ca -0.01 -1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 54.50 3hju n LEU 68 Cb 0.09 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3hju n LEU 68 CO 0.14 0.68 -0.08 0.47 -1.33 0.00 0.00 177.39 177.27 3hju n ASP 69 N 1.04 -3.67 -4.89 -1.43 8.00 0.10 -4.83 116.55 110.87 3hju n ASP 69 Ca 0.18 -0.07 -0.35 0.00 0.71 0.00 0.00 54.79 55.26 3hju n ASP 69 Cb 0.46 -2.76 -0.05 0.00 -0.02 0.00 0.00 41.12 38.74 3hju n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hju s LEU 70 N -3.32 4.37 -0.47 0.64 1.02 -1.02 -0.57 118.68 119.33 3hju s LEU 70 Ca 0.07 0.47 -0.23 0.00 0.02 0.00 0.00 54.13 54.46 3hju s LEU 70 Cb -0.03 -2.55 0.03 0.00 0.02 0.00 0.00 46.19 43.66 3hju s LEU 70 CO 0.09 0.28 0.78 -0.22 0.02 0.00 0.00 176.35 177.29 3hju s LEU 71 N -1.70 4.33 -0.14 1.79 2.96 0.25 -4.09 118.68 122.07 3hju s LEU 71 Ca 0.25 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.73 3hju s LEU 71 Cb -0.13 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 3hju s LEU 71 CO 0.15 -0.95 0.44 -0.69 -1.32 0.00 0.00 176.35 173.99 3hju s VAL 72 N 3.27 5.20 0.12 1.68 1.01 -0.92 -1.63 120.40 129.13 3hju s VAL 72 Ca 0.27 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.13 3hju s VAL 72 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3hju s VAL 72 CO 0.21 0.31 -0.03 0.72 0.00 0.00 0.00 175.10 176.31 3hju s PHE 73 N 0.79 0.92 0.18 5.22 -0.71 -0.25 -0.51 117.98 123.61 3hju s PHE 73 Ca 0.23 -1.00 -0.23 0.00 -1.04 0.00 0.00 56.93 54.89 3hju s PHE 73 Cb -0.15 -0.54 0.06 0.00 -1.21 0.00 0.00 43.02 41.18 3hju s PHE 73 CO 0.09 -0.24 0.68 0.00 -1.34 0.00 0.00 175.22 174.40 3hju s ALA 74 N -3.72 -1.52 0.13 1.99 0.00 -0.56 -1.06 121.76 117.00 3hju s ALA 74 Ca 0.16 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3hju s ALA 74 Cb 0.06 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 3hju s ALA 74 CO -0.02 -0.85 -0.01 -3.38 0.00 0.00 0.00 175.76 171.50 3hju s HIS 75 N -3.71 0.96 -0.08 0.00 -3.43 -1.26 -0.94 115.29 106.83 3hju s HIS 75 Ca 0.05 -1.05 -0.30 0.00 -0.80 0.00 0.00 55.06 52.96 3hju s HIS 75 Cb -0.02 -0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 30.55 3hju s HIS 75 CO -0.07 -0.29 1.00 -0.51 -2.00 0.00 0.00 174.74 172.88 3hju s ASP 76 N -3.08 7.28 0.80 7.38 1.01 -0.19 -4.68 116.67 125.20 3hju s ASP 76 Ca 0.19 1.56 -0.13 0.00 0.71 0.00 0.00 52.55 54.88 3hju s ASP 76 Cb 0.06 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.52 3hju s ASP 76 CO -0.01 -0.40 1.20 -1.00 0.21 0.00 0.00 175.17 175.17 3hju s HIS 77 N 1.75 1.85 0.46 4.23 3.76 -1.26 -4.46 115.29 121.61 3hju s HIS 77 Ca 0.49 1.67 -0.25 0.00 -0.15 0.00 0.00 55.06 56.82 3hju s HIS 77 Cb -0.19 -3.45 -0.08 0.00 1.11 0.00 0.00 32.58 29.97 3hju s HIS 77 CO 0.21 -2.77 1.40 0.54 -0.85 0.00 0.00 174.74 173.26 3hju s VAL 78 N -2.20 2.14 0.00 -0.90 0.11 -1.26 -1.20 120.40 117.09 3hju s VAL 78 Ca 0.72 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 3hju s VAL 78 Cb -0.28 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 3hju s VAL 78 CO 0.51 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 3hju n GLY 79 N 0.60 0.60 3.21 6.54 0.00 -0.22 -4.75 105.19 111.17 3hju n GLY 79 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3hju n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hju s HIS 80 N -2.49 1.29 0.00 1.61 4.02 -0.34 -1.39 115.29 117.99 3hju s HIS 80 Ca 0.00 -0.53 0.00 0.00 1.02 0.00 0.00 55.06 55.55 3hju s HIS 80 Cb 0.00 -0.70 0.00 0.00 -1.02 0.00 0.00 32.58 30.86 3hju s HIS 80 CO 0.00 0.09 0.00 0.41 1.02 0.00 0.00 174.74 176.26 3hju n GLY 81 N 0.85 3.28 1.29 -2.22 0.00 -1.25 -1.36 105.19 105.78 3hju n GLY 81 Ca -0.18 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3hju n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hju n GLN 82 N 14.00 2.64 -1.98 1.61 6.02 -1.26 -4.94 117.38 133.47 3hju n GLN 82 Ca 0.00 -2.52 -0.29 0.00 -0.01 0.00 0.00 57.00 54.18 3hju n GLN 82 Cb 0.00 -1.55 0.04 0.00 1.02 0.00 0.00 30.24 29.75 3hju n GLN 82 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3hju s SER 83 N -1.19 5.47 1.02 1.08 0.01 -0.46 -4.32 113.70 115.30 3hju s SER 83 Ca 0.45 1.05 -0.13 0.00 1.31 0.00 0.00 55.95 58.64 3hju s SER 83 Cb 0.25 -1.88 0.20 0.00 0.21 0.00 0.00 66.02 64.79 3hju s SER 83 CO 0.33 -1.29 1.10 -1.61 0.41 0.00 0.00 173.24 172.18 3hju s GLU 84 N -5.29 0.28 0.00 12.44 2.02 0.69 -4.50 118.70 124.34 3hju s GLU 84 Ca 0.57 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.98 3hju s GLU 84 Cb -0.11 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.39 3hju s GLU 84 CO 0.50 -2.81 0.00 0.41 0.02 0.00 0.00 175.26 173.39 3hju n GLY 85 N -1.19 2.87 3.74 -1.39 0.00 -1.26 -1.06 105.19 106.90 3hju n GLY 85 Ca 0.06 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3hju n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hju n GLU 86 N 0.25 2.23 -1.88 1.61 2.13 -1.26 -4.25 120.64 119.47 3hju n GLU 86 Ca 0.00 0.79 -0.42 0.00 0.66 0.00 0.00 57.16 58.19 3hju n GLU 86 Cb 0.00 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.15 3hju n GLU 86 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hju s ARG 87 N -2.23 4.19 -1.32 5.31 1.81 -1.26 -3.35 118.95 122.10 3hju s ARG 87 Ca 0.59 2.42 -0.12 0.00 -1.72 0.00 0.00 55.73 56.89 3hju s ARG 87 Cb -0.49 -3.30 0.01 0.00 -0.45 0.00 0.00 34.95 30.72 3hju s ARG 87 CO 0.60 -0.69 0.51 -1.33 -0.68 0.00 0.00 175.30 173.71 3hju n MET 88 N 4.56 -1.83 -3.98 3.54 2.81 -0.48 -5.00 117.12 116.73 3hju n MET 88 Ca 0.15 0.31 -0.10 0.00 -1.81 0.00 0.00 57.70 56.25 3hju n MET 88 Cb 0.38 -3.91 -0.12 0.00 -0.71 0.00 0.00 33.22 28.86 3hju n MET 88 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hju s VAL 89 N -3.81 0.18 -0.18 2.03 1.01 -1.21 -4.61 120.40 113.82 3hju s VAL 89 Ca 0.22 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 3hju s VAL 89 Cb -0.10 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.06 3hju s VAL 89 CO 0.91 -0.37 0.56 0.54 0.00 0.00 0.00 175.10 176.74 3hju s VAL 90 N -1.14 0.00 0.27 2.92 0.11 -1.26 -4.64 120.40 116.67 3hju s VAL 90 Ca -0.11 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3hju s VAL 90 Cb -0.08 -0.80 0.20 0.00 -1.53 0.00 0.00 36.38 34.17 3hju s VAL 90 CO -0.01 -0.02 1.88 0.77 -3.33 0.00 0.00 175.10 174.39 3hju h SER 91 N 4.85 0.95 -4.11 3.54 4.64 -2.01 -3.44 113.55 117.97 3hju h SER 91 Ca -0.28 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 3hju h SER 91 Cb 1.17 -0.24 -0.21 0.00 -0.31 0.00 0.00 62.40 62.80 3hju h SER 91 CO 0.20 0.79 0.09 -0.62 -0.87 0.00 0.00 176.83 176.42 3hju s ASP 92 N -6.38 -0.70 0.49 4.97 2.15 -1.26 -5.03 116.67 110.91 3hju s ASP 92 Ca -0.11 1.28 0.25 0.00 0.43 0.00 0.00 52.55 54.39 3hju s ASP 92 Cb 0.17 1.28 1.31 0.00 -0.30 0.00 0.00 42.92 45.38 3hju s ASP 92 CO 0.81 -0.28 1.90 0.15 -0.17 0.00 0.00 175.17 177.58 3hju h PHE 93 N 4.82 0.20 0.00 -5.34 3.57 -1.85 0.94 116.94 119.29 3hju h PHE 93 Ca -0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.22 3hju h PHE 93 Cb 1.16 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3hju h PHE 93 CO 0.39 0.06 0.00 1.25 -2.23 0.00 0.00 178.31 177.78 3hju h HIS 94 N 0.16 0.00 -0.99 0.41 2.76 -1.95 -1.31 115.15 114.23 3hju h HIS 94 Ca 0.40 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.76 3hju h HIS 94 Cb 1.34 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.20 3hju h HIS 94 CO -0.00 0.00 0.59 0.28 -1.30 0.00 0.00 177.93 177.50 3hju h VAL 95 N 0.00 0.70 -0.69 5.26 2.07 -1.23 0.48 116.25 122.86 3hju h VAL 95 Ca 0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3hju h VAL 95 Cb 0.21 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3hju h VAL 95 CO 0.00 0.14 0.18 -0.26 0.02 0.00 0.00 177.57 177.65 3hju h PHE 96 N 0.74 1.14 -0.08 1.57 0.04 -1.43 -1.96 116.94 116.96 3hju h PHE 96 Ca 0.57 -0.13 -0.09 0.00 2.80 0.00 0.00 57.97 61.11 3hju h PHE 96 Cb 0.87 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3hju h PHE 96 CO -0.02 0.92 -0.31 0.28 -0.60 0.00 0.00 178.31 178.58 3hju h VAL 97 N 1.02 1.41 -0.63 -0.55 2.07 -1.46 -1.54 116.25 116.57 3hju h VAL 97 Ca 0.22 -1.69 0.13 0.00 0.82 0.00 0.00 66.70 66.18 3hju h VAL 97 Cb 0.35 2.26 -0.10 0.00 -1.52 0.00 0.00 31.29 32.28 3hju h VAL 97 CO -0.00 0.49 0.07 -0.09 0.02 0.00 0.00 177.57 178.06 3hju h ARG 98 N -0.11 0.18 -0.35 1.57 2.43 -0.86 -0.62 114.38 116.61 3hju h ARG 98 Ca -0.02 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3hju h ARG 98 Cb 0.95 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3hju h ARG 98 CO 0.07 0.12 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.78 3hju h ASP 99 N 0.18 0.96 -0.54 -3.80 3.32 -1.30 0.52 116.42 115.76 3hju h ASP 99 Ca 0.33 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3hju h ASP 99 Cb 0.53 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3hju h ASP 99 CO -0.48 1.24 0.31 0.58 -1.72 0.00 0.00 179.24 179.17 3hju h VAL 100 N 0.72 1.03 -0.85 -1.35 2.07 -0.83 -1.74 116.25 115.29 3hju h VAL 100 Ca 0.05 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3hju h VAL 100 Cb 1.01 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3hju h VAL 100 CO 0.10 0.11 0.53 -0.07 0.02 0.00 0.00 177.57 178.26 3hju h LEU 101 N 0.62 1.01 -0.35 2.57 3.38 -0.58 -0.59 115.31 121.37 3hju h LEU 101 Ca 0.22 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3hju h LEU 101 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3hju h LEU 101 CO -0.12 0.77 0.03 -0.61 0.09 0.00 0.00 178.44 178.60 3hju h GLN 102 N 1.17 0.13 -0.19 1.13 4.15 -0.55 0.52 115.11 121.46 3hju h GLN 102 Ca 0.31 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.55 3hju h GLN 102 Cb -0.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3hju h GLN 102 CO -0.06 0.08 -0.53 1.25 -1.93 0.00 0.00 178.83 177.65 3hju h HIS 103 N 0.13 0.90 -0.19 3.99 2.76 -0.83 -1.62 115.15 120.29 3hju h HIS 103 Ca 0.17 -0.35 0.02 0.00 -2.20 0.00 0.00 60.37 58.00 3hju h HIS 103 Cb 0.21 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3hju h HIS 103 CO -0.22 1.15 0.07 0.28 -1.30 0.00 0.00 177.93 177.91 3hju h VAL 104 N 0.40 0.96 -0.95 5.26 2.07 -0.97 -1.31 116.25 121.72 3hju h VAL 104 Ca -0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hju h VAL 104 Cb 1.15 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3hju h VAL 104 CO 0.11 0.03 0.61 0.44 0.02 0.00 0.00 177.57 178.79 3hju h ASP 105 N 0.17 1.11 -0.41 0.57 3.32 -0.70 0.11 116.42 120.59 3hju h ASP 105 Ca 0.08 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3hju h ASP 105 Cb 0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3hju h ASP 105 CO -0.08 0.82 0.27 0.28 -1.72 0.00 0.00 179.24 178.81 3hju h SER 106 N 1.30 0.45 -0.45 6.45 0.02 -1.03 -2.16 113.55 118.13 3hju h SER 106 Ca 0.35 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 3hju h SER 106 Cb -0.12 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3hju h SER 106 CO -0.07 0.33 -0.09 0.24 -1.14 0.00 0.00 176.83 176.10 3hju h MET 107 N 0.54 0.85 -0.64 3.45 2.86 -0.65 -2.46 114.93 118.88 3hju h MET 107 Ca 0.15 -0.32 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3hju h MET 107 Cb -0.05 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3hju h MET 107 CO -0.04 0.95 0.42 1.96 1.06 0.00 0.00 176.91 181.26 3hju h GLN 108 N 0.69 0.55 -0.42 1.72 4.20 -0.62 -2.00 115.11 119.23 3hju h GLN 108 Ca 0.12 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3hju h GLN 108 Cb 0.62 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3hju h GLN 108 CO 0.04 0.36 0.13 0.87 -0.67 0.00 0.00 178.83 179.56 3hju h LYS 109 N 0.57 0.62 0.00 1.46 1.79 -0.91 -1.99 116.57 118.10 3hju h LYS 109 Ca 0.29 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3hju h LYS 109 Cb 0.38 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3hju h LYS 109 CO -0.09 0.55 -0.17 -0.44 -1.08 0.00 0.00 179.45 178.22 3hju h ASP 110 N 0.61 0.00 -1.72 0.86 3.32 -1.22 -3.36 116.42 114.91 3hju h ASP 110 Ca 0.14 -0.05 -0.46 0.00 0.02 0.00 0.00 57.03 56.68 3hju h ASP 110 Cb 0.19 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.34 3hju h ASP 110 CO -0.01 0.02 -1.13 -1.22 -1.72 0.00 0.00 179.24 175.19 3hju n TYR 111 N -2.33 0.97 -1.68 4.55 4.01 -0.90 -5.11 117.16 116.67 3hju n TYR 111 Ca 0.05 -3.51 -0.41 0.00 -0.16 0.00 0.00 57.90 53.87 3hju n TYR 111 Cb 0.45 -0.40 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 3hju n TYR 111 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hju n PRO 112 N 0.10 1.72 0.00 -0.72 -0.04 -0.78 -2.09 135.00 133.18 3hju n PRO 112 Ca 0.22 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3hju n PRO 112 Cb 0.68 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3hju n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hju n GLY 113 N 0.92 2.53 3.75 0.55 0.00 -1.26 -5.01 105.19 106.66 3hju n GLY 113 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3hju n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hju s LEU 114 N 0.00 4.44 0.45 0.99 1.02 -0.89 -5.00 118.68 119.70 3hju s LEU 114 Ca 0.00 2.50 -0.25 0.00 0.02 0.00 0.00 54.13 56.40 3hju s LEU 114 Cb 0.00 -3.63 -0.08 0.00 0.02 0.00 0.00 46.19 42.51 3hju s LEU 114 CO 0.00 -0.49 1.38 -2.84 0.02 0.00 0.00 176.35 174.42 3hju s PRO 115 N -0.88 3.67 -0.07 1.29 0.01 -1.26 -4.80 135.00 132.95 3hju s PRO 115 Ca 0.52 2.31 0.05 0.00 0.01 0.00 0.00 61.00 63.90 3hju s PRO 115 Cb -0.37 -2.61 -0.01 0.00 0.01 0.00 0.00 34.50 31.52 3hju s PRO 115 CO 0.44 -0.79 -0.25 0.54 0.01 0.00 0.00 177.00 176.95 3hju s VAL 116 N -1.24 2.07 0.24 3.83 0.11 -1.26 -0.63 120.40 123.51 3hju s VAL 116 Ca 0.62 -1.04 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 3hju s VAL 116 Cb -0.41 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 3hju s VAL 116 CO 0.53 0.57 0.15 -0.36 -3.33 0.00 0.00 175.10 172.65 3hju s PHE 117 N 0.04 3.04 -0.02 1.54 0.40 0.27 -1.24 117.98 122.00 3hju s PHE 117 Ca -0.10 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 3hju s PHE 117 Cb -0.15 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 3hju s PHE 117 CO 0.06 0.54 -0.23 -0.51 0.70 0.00 0.00 175.22 175.78 3hju s LEU 118 N -3.67 2.04 -0.08 -0.37 1.43 -0.67 -0.46 118.68 116.89 3hju s LEU 118 Ca 0.32 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3hju s LEU 118 Cb -0.08 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.97 3hju s LEU 118 CO 0.24 0.27 -0.07 -0.22 0.23 0.00 0.00 176.35 176.80 3hju s LEU 119 N -0.46 1.19 0.02 1.79 0.20 0.57 -0.19 118.68 121.80 3hju s LEU 119 Ca 0.07 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.67 3hju s LEU 119 Cb -0.10 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 3hju s LEU 119 CO -0.00 -0.09 -0.05 -0.83 -0.29 0.00 0.00 176.35 175.08 3hju s GLY 120 N 1.41 0.34 -0.06 7.98 0.00 0.15 -0.27 107.32 116.87 3hju s GLY 120 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.21 3hju s GLY 120 CO -0.04 -0.58 -0.23 -1.58 0.00 0.00 0.00 173.10 170.68 3hju s HIS 121 N -1.02 2.26 0.00 1.90 5.04 -0.98 -0.41 115.29 122.07 3hju s HIS 121 Ca -0.08 -0.73 0.00 0.00 -1.54 0.00 0.00 55.06 52.71 3hju s HIS 121 Cb -0.07 -1.50 0.00 0.00 0.04 0.00 0.00 32.58 31.05 3hju s HIS 121 CO -0.00 -0.25 0.00 0.45 -2.34 0.00 0.00 174.74 172.60 3hju n SER 122 N 3.14 0.00 0.09 9.88 2.88 -0.88 0.75 113.62 129.49 3hju n SER 122 Ca -0.18 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.40 3hju n SER 122 Cb 0.52 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.44 3hju n SER 122 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3hju h MET 123 N 0.00 0.33 -0.18 -1.46 1.85 -1.85 0.15 114.93 113.76 3hju h MET 123 Ca 0.00 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 3hju h MET 123 Cb 0.00 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 3hju h MET 123 CO 0.00 0.29 -0.04 0.78 -0.40 0.00 0.00 176.91 177.53 3hju h GLY 124 N 0.49 0.29 1.05 1.39 0.00 0.49 -0.92 103.07 105.86 3hju h GLY 124 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3hju h GLY 124 CO -0.01 0.15 -0.28 -1.33 0.00 0.00 0.00 176.54 175.07 3hju h GLY 125 N 0.62 0.92 1.05 4.60 0.00 -1.06 -1.50 103.07 107.71 3hju h GLY 125 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 3hju h GLY 125 CO 0.01 0.81 0.47 0.00 0.00 0.00 0.00 176.54 177.83 3hju h ALA 126 N 0.77 1.17 -0.68 3.60 0.00 -0.98 -1.23 119.26 121.92 3hju h ALA 126 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hju h ALA 126 Cb 0.86 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hju h ALA 126 CO 0.07 0.66 0.43 0.82 0.00 0.00 0.00 179.25 181.23 3hju h ILE 127 N 1.23 1.19 -0.56 0.00 2.04 -1.08 -0.93 117.51 119.40 3hju h ILE 127 Ca 0.31 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3hju h ILE 127 Cb 0.05 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3hju h ILE 127 CO -0.05 0.19 0.13 0.00 0.00 0.00 0.00 178.15 178.42 3hju h ALA 128 N 1.23 0.74 -0.20 1.87 0.00 -0.99 0.20 119.26 122.11 3hju h ALA 128 Ca 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hju h ALA 128 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hju h ALA 128 CO -0.05 0.44 0.09 0.82 0.00 0.00 0.00 179.25 180.55 3hju h ILE 129 N 0.80 0.99 -0.44 0.00 2.04 -0.97 0.36 117.51 120.28 3hju h ILE 129 Ca 0.18 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 3hju h ILE 129 Cb 0.35 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3hju h ILE 129 CO 0.00 0.04 -0.03 -0.07 0.00 0.00 0.00 178.15 178.09 3hju h LEU 130 N 0.20 0.72 -0.15 1.44 3.38 -0.91 -0.87 115.31 119.11 3hju h LEU 130 Ca 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hju h LEU 130 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hju h LEU 130 CO -0.06 0.80 0.07 0.74 0.09 0.00 0.00 178.44 180.08 3hju h THR 131 N 0.69 1.13 -0.80 0.22 2.02 -0.24 -1.83 112.91 114.09 3hju h THR 131 Ca 0.13 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3hju h THR 131 Cb 0.47 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3hju h THR 131 CO 0.02 0.12 0.37 0.00 0.37 0.00 0.00 175.52 176.40 3hju h ALA 132 N 0.94 1.03 -0.35 6.16 0.00 -0.76 -2.99 119.26 123.30 3hju h ALA 132 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3hju h ALA 132 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hju h ALA 132 CO -0.01 0.61 -0.24 0.00 0.00 0.00 0.00 179.25 179.61 3hju h ALA 133 N 1.19 0.93 0.00 0.00 0.00 -1.01 -1.70 119.26 118.67 3hju h ALA 133 Ca 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hju h ALA 133 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hju h ALA 133 CO -0.03 0.62 -0.08 1.49 0.00 0.00 0.00 179.25 181.24 3hju h GLU 134 N 0.60 0.00 -2.20 0.00 4.81 -1.22 -3.33 114.58 113.25 3hju h GLU 134 Ca 0.08 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.73 3hju h GLU 134 Cb 0.73 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.71 3hju h GLU 134 CO 0.06 0.08 -0.88 0.54 -0.73 0.00 0.00 179.01 178.07 3hju n ARG 135 N -3.42 1.32 -1.85 1.92 1.74 -0.65 -5.11 116.66 110.61 3hju n ARG 135 Ca -0.01 -3.78 -0.41 0.00 -0.77 0.00 0.00 57.85 52.87 3hju n ARG 135 Cb 0.23 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 3hju n ARG 135 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hju s PRO 136 N -1.46 4.16 0.00 5.56 0.04 -1.13 -1.32 135.00 140.85 3hju s PRO 136 Ca 0.35 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3hju s PRO 136 Cb 0.13 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3hju s PRO 136 CO -0.09 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3hju n GLY 137 N 1.41 2.50 0.18 0.56 0.00 -1.26 -4.90 105.19 103.68 3hju n GLY 137 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3hju n GLY 137 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hju h HIS 138 N 0.00 0.96 -3.01 1.61 6.17 -1.54 -3.45 115.15 115.90 3hju h HIS 138 Ca 0.00 -0.55 -0.61 0.00 0.71 0.00 0.00 60.37 59.92 3hju h HIS 138 Cb 0.00 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 29.78 3hju h HIS 138 CO 0.00 1.38 -0.33 -0.06 0.71 0.00 0.00 177.93 179.63 3hju s PHE 139 N -3.20 3.57 -0.17 5.26 0.40 -1.26 -4.73 117.98 117.85 3hju s PHE 139 Ca -0.10 0.64 0.20 0.00 -0.60 0.00 0.00 56.93 57.07 3hju s PHE 139 Cb 0.06 -2.05 0.40 0.00 0.51 0.00 0.00 43.02 41.95 3hju s PHE 139 CO 0.91 0.56 1.61 0.00 0.70 0.00 0.00 175.22 178.99 3hju h ALA 140 N 3.74 0.87 0.00 5.36 0.00 -1.50 -3.44 119.26 124.30 3hju h ALA 140 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3hju h ALA 140 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hju h ALA 140 CO 0.67 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.65 3hju n GLY 141 N 0.90 1.33 2.95 0.00 0.00 -1.26 -4.48 105.19 104.63 3hju n GLY 141 Ca 0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 3hju n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hju s MET 142 N -2.00 0.65 -0.19 1.61 0.00 0.75 -1.67 119.30 118.45 3hju s MET 142 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 55.69 55.48 3hju s MET 142 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 34.83 34.18 3hju s MET 142 CO 0.00 0.06 -0.09 0.08 0.00 0.00 0.00 175.02 175.08 3hju s VAL 143 N 0.23 3.14 -0.14 10.11 1.01 0.73 -1.81 120.40 133.67 3hju s VAL 143 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3hju s VAL 143 Cb -0.07 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3hju s VAL 143 CO -0.00 0.47 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 3hju s LEU 144 N 1.07 2.24 -0.32 3.92 1.43 -0.07 -0.68 118.68 126.27 3hju s LEU 144 Ca 0.00 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3hju s LEU 144 Cb -0.15 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3hju s LEU 144 CO -0.02 0.10 0.12 -0.63 0.23 0.00 0.00 176.35 176.16 3hju s ILE 145 N 0.71 4.18 -1.32 -0.59 1.01 0.45 -1.29 121.20 124.34 3hju s ILE 145 Ca -0.09 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3hju s ILE 145 Cb -0.16 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3hju s ILE 145 CO 0.01 -0.02 0.50 -1.20 0.00 0.00 0.00 174.94 174.23 3hju n SER 146 N 4.91 -2.02 -4.76 3.58 7.64 -0.11 -2.07 113.62 120.79 3hju n SER 146 Ca -0.14 -1.09 -0.39 0.00 1.01 0.00 0.00 58.87 58.27 3hju n SER 146 Cb 0.47 -2.77 0.01 0.00 -1.01 0.00 0.00 64.21 60.92 3hju n SER 146 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hju s PRO 147 N -6.63 3.60 -0.36 1.43 0.04 -1.26 -2.42 135.00 129.40 3hju s PRO 147 Ca 0.20 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 3hju s PRO 147 Cb -0.08 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.97 3hju s PRO 147 CO 0.91 -0.80 1.20 -1.17 0.04 0.00 0.00 177.00 177.18 3hju s LEU 148 N -2.97 3.81 0.00 -3.56 2.96 -0.09 -4.80 118.68 114.04 3hju s LEU 148 Ca 0.64 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 3hju s LEU 148 Cb -0.38 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.77 3hju s LEU 148 CO 0.47 -1.09 0.00 1.33 -1.32 0.00 0.00 176.35 175.74 3hju n VAL 149 N 6.33 0.00 -4.62 1.68 0.24 -1.26 -4.01 118.33 116.69 3hju n VAL 149 Ca 0.13 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.34 62.16 3hju n VAL 149 Cb 0.47 0.52 -0.14 0.00 -1.47 0.00 0.00 33.84 33.22 3hju n VAL 149 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hju s LEU 150 N -0.45 2.11 0.39 1.34 1.02 -1.26 -4.74 118.68 117.09 3hju s LEU 150 Ca 0.00 -0.42 -0.24 0.00 0.02 0.00 0.00 54.13 53.49 3hju s LEU 150 Cb 0.00 -0.82 -0.09 0.00 0.02 0.00 0.00 46.19 45.30 3hju s LEU 150 CO 0.00 0.14 1.05 0.00 0.02 0.00 0.00 176.35 177.57 3hju s ALA 151 N -0.65 3.11 0.31 4.21 0.00 -1.26 -4.96 121.76 122.52 3hju s ALA 151 Ca 0.05 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 3hju s ALA 151 Cb -0.08 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.61 3hju s ALA 151 CO 0.01 -0.21 0.30 0.09 0.00 0.00 0.00 175.76 175.94 3hju n ASN 152 N 0.02 -2.06 -0.14 0.00 3.02 -1.26 -4.86 115.26 109.98 3hju n ASN 152 Ca 0.05 0.96 -0.09 0.00 -0.03 0.00 0.00 54.58 55.46 3hju n ASN 152 Cb 0.49 -0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 3hju n ASN 152 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hju h PRO 153 N 0.65 -0.29 0.00 3.52 0.11 -2.02 -0.85 132.00 133.12 3hju h PRO 153 Ca -0.33 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 3hju h PRO 153 Cb 1.44 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 3hju h PRO 153 CO 0.52 -0.19 -0.21 1.05 -0.21 0.00 0.00 178.00 178.95 3hju h GLU 154 N -0.30 0.00 0.00 1.05 4.11 -2.05 -3.39 114.58 114.00 3hju h GLU 154 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.54 3hju h GLU 154 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hju h GLU 154 CO -0.59 0.21 -0.21 0.77 0.07 0.00 0.00 179.01 179.26 3hju h SER 155 N 0.00 0.00 -0.13 3.06 0.02 -1.48 -3.25 113.55 111.77 3hju h SER 155 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hju h SER 155 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3hju h SER 155 CO 0.03 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.92 3hju n ALA 156 N -2.29 2.19 -0.78 3.77 0.00 -1.26 -4.51 120.51 117.62 3hju n ALA 156 Ca -0.01 -1.40 -0.31 0.00 0.00 0.00 0.00 53.44 51.72 3hju n ALA 156 Cb 0.34 -0.25 0.16 0.00 0.00 0.00 0.00 19.45 19.69 3hju n ALA 156 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hju s THR 157 N -1.44 2.22 0.31 0.00 -4.23 -1.23 -4.77 115.64 106.49 3hju s THR 157 Ca 0.16 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 3hju s THR 157 Cb 0.11 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.92 3hju s THR 157 CO 0.06 -0.09 1.83 0.71 -0.54 0.00 0.00 174.62 176.58 3hju h THR 158 N -1.74 1.22 0.16 3.99 1.35 -1.95 -1.54 112.91 114.40 3hju h THR 158 Ca -0.43 -0.88 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 3hju h THR 158 Cb 1.26 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3hju h THR 158 CO 0.43 0.30 -0.08 0.15 -0.25 0.00 0.00 175.52 176.08 3hju h PHE 159 N 0.59 -0.20 -0.63 4.73 3.57 -1.99 -1.25 116.94 121.76 3hju h PHE 159 Ca 0.12 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3hju h PHE 159 Cb 0.38 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3hju h PHE 159 CO 0.02 -0.12 0.25 0.87 -2.23 0.00 0.00 178.31 177.10 3hju h LYS 160 N -0.23 0.95 -0.69 1.11 1.79 -1.83 -0.10 116.57 117.58 3hju h LYS 160 Ca -0.02 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.24 3hju h LYS 160 Cb 0.18 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 3hju h LYS 160 CO 0.04 0.80 0.30 0.28 -1.08 0.00 0.00 179.45 179.79 3hju h VAL 161 N 0.89 1.24 -0.55 0.50 2.07 -1.28 -0.60 116.25 118.52 3hju h VAL 161 Ca 0.21 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3hju h VAL 161 Cb 0.21 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3hju h VAL 161 CO -0.02 0.29 0.23 0.25 0.02 0.00 0.00 177.57 178.34 3hju h LEU 162 N 0.97 0.74 -0.88 2.57 5.85 -0.93 -0.84 115.31 122.80 3hju h LEU 162 Ca 0.23 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3hju h LEU 162 Cb 0.16 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3hju h LEU 162 CO -0.02 0.70 0.30 0.00 -0.34 0.00 0.00 178.44 179.07 3hju h ALA 163 N 1.08 1.11 -0.39 1.25 0.00 -0.78 -0.51 119.26 121.02 3hju h ALA 163 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hju h ALA 163 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hju h ALA 163 CO -0.02 0.64 -0.25 0.00 0.00 0.00 0.00 179.25 179.62 3hju h ALA 164 N 1.23 0.84 -0.20 0.00 0.00 -0.89 -2.07 119.26 118.17 3hju h ALA 164 Ca 0.25 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3hju h ALA 164 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hju h ALA 164 CO -0.02 0.64 -0.39 0.87 0.00 0.00 0.00 179.25 180.35 3hju h LYS 165 N 0.68 0.45 -0.30 0.00 1.79 -0.65 0.13 116.57 118.66 3hju h LYS 165 Ca 0.09 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3hju h LYS 165 Cb 0.77 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 3hju h LYS 165 CO 0.06 0.77 0.13 0.28 -1.08 0.00 0.00 179.45 179.62 3hju h VAL 166 N 0.37 1.16 -0.68 0.50 2.07 -1.01 -2.87 116.25 115.80 3hju h VAL 166 Ca 0.04 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3hju h VAL 166 Cb 0.85 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3hju h VAL 166 CO 0.07 0.17 0.27 0.25 0.02 0.00 0.00 177.57 178.35 3hju h LEU 167 N 0.34 0.93 -1.63 2.57 5.85 -1.17 -2.71 115.31 119.49 3hju h LEU 167 Ca 0.10 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hju h LEU 167 Cb 0.14 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3hju h LEU 167 CO -0.01 0.85 0.36 -1.13 -0.34 0.00 0.00 178.44 178.17 3hju h ASN 168 N 0.96 0.40 -0.27 1.25 -1.24 -0.80 0.17 115.58 116.05 3hju h ASN 168 Ca 0.23 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 3hju h ASN 168 Cb 0.21 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 3hju h ASN 168 CO -0.02 0.26 0.15 -0.07 -1.29 0.00 0.00 177.43 176.46 3hju h LEU 169 N 0.45 0.36 0.00 0.34 4.07 -1.27 -3.08 115.31 116.18 3hju h LEU 169 Ca 0.24 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.95 3hju h LEU 169 Cb 0.35 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 3hju h LEU 169 CO -0.06 0.31 -1.84 1.33 -1.08 0.00 0.00 178.44 177.09 3hju n VAL 170 N -4.45 0.84 -3.24 1.22 0.24 -0.77 -4.84 118.33 107.34 3hju n VAL 170 Ca 0.01 -0.36 -0.25 0.00 -2.04 0.00 0.00 64.34 61.70 3hju n VAL 170 Cb 0.11 -0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 31.46 3hju n VAL 170 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hju n LEU 171 N -2.82 2.39 0.19 1.34 7.99 0.53 -4.96 117.00 121.65 3hju n LEU 171 Ca -0.25 -5.20 0.07 0.00 -0.01 0.00 0.00 56.01 50.63 3hju n LEU 171 Cb 0.80 -0.06 0.59 0.00 -0.11 0.00 0.00 43.42 44.64 3hju n LEU 171 CO 0.17 2.14 1.09 1.55 -1.51 0.00 0.00 177.39 180.84 3hju h PRO 172 N 3.76 0.13 -0.59 3.23 0.13 -1.68 -1.99 132.00 134.98 3hju h PRO 172 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hju h PRO 172 Cb 0.74 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hju h PRO 172 CO 0.67 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 3hju n ASN 173 N -4.52 3.37 -4.69 1.44 5.03 -1.26 -1.35 115.26 113.28 3hju n ASN 173 Ca -0.01 -2.16 -0.42 0.00 0.87 0.00 0.00 54.58 52.86 3hju n ASN 173 Cb 0.09 -0.44 -0.03 0.00 -1.02 0.00 0.00 39.78 38.39 3hju n ASN 173 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3hju s LEU 174 N -1.25 4.39 -0.08 3.41 2.96 -0.75 -4.72 118.68 122.65 3hju s LEU 174 Ca 0.39 2.72 -0.30 0.00 -0.22 0.00 0.00 54.13 56.72 3hju s LEU 174 Cb 0.22 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.32 3hju s LEU 174 CO 0.23 -0.98 1.15 -0.55 -1.32 0.00 0.00 176.35 174.87 3hju s SER 175 N 2.51 7.10 0.00 3.68 0.15 -1.26 -1.63 113.70 124.24 3hju s SER 175 Ca 0.79 1.72 0.04 0.00 0.70 0.00 0.00 55.95 59.20 3hju s SER 175 Cb -0.45 -2.56 0.24 0.00 -1.71 0.00 0.00 66.02 61.54 3hju s SER 175 CO 0.35 -0.56 0.66 0.18 1.20 0.00 0.00 173.24 175.08 3hju n LEU 176 N 5.24 0.00 0.00 3.45 4.32 1.00 -4.94 117.00 126.07 3hju n LEU 176 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3hju n LEU 176 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 3hju n LEU 176 CO 0.54 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 3hju n GLY 177 N -0.09 1.23 3.79 -0.72 0.00 -1.26 -4.88 105.19 103.25 3hju n GLY 177 Ca 0.03 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3hju n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hju s PRO 178 N -5.02 2.82 0.56 1.61 0.04 -1.26 -4.17 135.00 129.58 3hju s PRO 178 Ca 0.00 1.16 -0.04 0.00 0.04 0.00 0.00 61.00 62.16 3hju s PRO 178 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3hju s PRO 178 CO 0.00 -1.21 0.85 -1.50 0.04 0.00 0.00 177.00 175.18 3hju s ILE 179 N -2.71 3.70 -0.38 0.56 1.10 -1.26 -4.95 121.20 117.26 3hju s ILE 179 Ca 0.62 -0.12 -0.22 0.00 -0.51 0.00 0.00 60.65 60.42 3hju s ILE 179 Cb -0.17 -3.44 0.01 0.00 0.15 0.00 0.00 42.46 39.01 3hju s ILE 179 CO 0.48 -0.42 0.74 -0.62 -2.11 0.00 0.00 174.94 173.00 3hju s ASP 180 N -4.29 6.49 0.00 4.50 2.15 -1.26 -4.90 116.67 119.36 3hju s ASP 180 Ca 0.53 0.21 0.18 0.00 0.43 0.00 0.00 52.55 53.89 3hju s ASP 180 Cb -0.10 -2.37 0.86 0.00 -0.30 0.00 0.00 42.92 41.01 3hju s ASP 180 CO 0.43 -0.72 1.53 -1.54 -0.17 0.00 0.00 175.17 174.71 3hju n SER 181 N 6.34 0.00 0.26 -0.34 3.41 -1.26 -1.68 113.62 120.36 3hju n SER 181 Ca 0.02 0.12 0.17 0.00 -0.26 0.00 0.00 58.87 58.92 3hju n SER 181 Cb 0.48 -0.33 0.70 0.00 -0.26 0.00 0.00 64.21 64.81 3hju n SER 181 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hju h SER 182 N 0.00 0.00 0.80 4.04 4.64 -1.90 -1.98 113.55 119.15 3hju h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hju h SER 182 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3hju h SER 182 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3hju n VAL 183 N -2.98 0.71 -0.12 0.95 0.24 -0.68 -3.94 118.33 112.50 3hju n VAL 183 Ca 0.00 0.12 -0.10 0.00 -2.04 0.00 0.00 64.34 62.33 3hju n VAL 183 Cb 0.28 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.73 3hju n VAL 183 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hju h LEU 184 N 0.00 0.52 -7.00 1.34 3.38 -1.55 -3.29 115.31 108.72 3hju h LEU 184 Ca 0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3hju h LEU 184 Cb 0.40 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 40.81 3hju h LEU 184 CO 0.00 0.59 0.18 -0.55 0.09 0.00 0.00 178.44 178.75 3hju s SER 185 N -5.88 -0.69 0.09 -0.43 0.15 -1.25 -0.45 113.70 105.24 3hju s SER 185 Ca -0.13 0.97 0.25 0.00 0.70 0.00 0.00 55.95 57.74 3hju s SER 185 Cb 0.09 0.86 0.99 0.00 -1.71 0.00 0.00 66.02 66.25 3hju s SER 185 CO 0.75 -0.48 1.79 0.54 1.20 0.00 0.00 173.24 177.04 3hju n ARG 186 N 1.54 0.10 -2.63 5.44 1.74 -1.26 -4.60 116.66 116.98 3hju n ARG 186 Ca -0.17 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 3hju n ARG 186 Cb 0.56 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3hju n ARG 186 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hju s ASN 187 N -3.59 6.36 0.42 0.55 3.84 -1.26 -4.85 114.94 116.41 3hju s ASN 187 Ca 0.11 -0.12 0.13 0.00 0.21 0.00 0.00 52.86 53.19 3hju s ASN 187 Cb 0.14 -2.53 0.90 0.00 -0.55 0.00 0.00 41.25 39.22 3hju s ASN 187 CO 0.49 -1.51 1.94 0.11 -2.79 0.00 0.00 177.10 175.34 3hju h LYS 188 N 9.60 0.02 -0.57 0.43 1.57 -1.96 -2.10 116.57 123.56 3hju h LYS 188 Ca -0.26 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 3hju h LYS 188 Cb 1.06 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3hju h LYS 188 CO 1.19 0.25 0.09 1.15 -0.57 0.00 0.00 179.45 181.56 3hju h THR 189 N 0.02 1.26 -0.28 -0.16 2.02 -1.96 -1.37 112.91 112.43 3hju h THR 189 Ca 0.00 -0.99 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 3hju h THR 189 Cb 0.42 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3hju h THR 189 CO 0.03 0.36 -0.26 -0.33 0.37 0.00 0.00 175.52 175.69 3hju h GLU 190 N 0.84 0.55 -0.71 6.66 4.39 -1.71 -0.67 114.58 123.94 3hju h GLU 190 Ca 0.17 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hju h GLU 190 Cb 0.43 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3hju h GLU 190 CO 0.01 0.76 0.45 0.28 -1.16 0.00 0.00 179.01 179.36 3hju h VAL 191 N 0.48 1.19 -0.43 3.13 2.07 -1.26 -1.53 116.25 119.91 3hju h VAL 191 Ca 0.07 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3hju h VAL 191 Cb 0.70 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3hju h VAL 191 CO 0.05 0.19 0.03 0.44 0.02 0.00 0.00 177.57 178.31 3hju h ASP 192 N 0.97 0.64 -0.15 0.57 3.32 -0.56 0.36 116.42 121.57 3hju h ASP 192 Ca 0.26 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3hju h ASP 192 Cb -0.07 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3hju h ASP 192 CO -0.05 0.69 -0.05 0.40 -1.72 0.00 0.00 179.24 178.51 3hju h ILE 193 N 0.65 1.30 -0.75 0.35 2.04 -0.99 -2.58 117.51 117.52 3hju h ILE 193 Ca 0.14 -1.03 0.11 0.00 1.00 0.00 0.00 64.86 65.07 3hju h ILE 193 Cb 0.36 1.67 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 3hju h ILE 193 CO 0.01 0.30 0.37 0.22 0.00 0.00 0.00 178.15 179.05 3hju h TYR 194 N -0.01 0.66 0.00 1.37 3.20 -1.10 -1.59 116.97 119.50 3hju h TYR 194 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3hju h TYR 194 Cb 0.49 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3hju h TYR 194 CO 0.06 0.21 0.00 0.09 -1.64 0.00 0.00 178.16 176.87 3hju n ASN 195 N -4.88 0.29 -0.08 -2.11 3.02 0.10 -3.45 115.26 108.16 3hju n ASN 195 Ca 0.13 0.56 0.05 0.00 -0.03 0.00 0.00 54.58 55.29 3hju n ASN 195 Cb 0.32 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 38.94 3hju n ASN 195 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hju n SER 196 N -1.80 1.93 -4.62 6.41 3.41 -0.65 -4.97 113.62 113.33 3hju n SER 196 Ca 0.04 -2.54 -0.41 0.00 -0.26 0.00 0.00 58.87 55.70 3hju n SER 196 Cb 0.23 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 3hju n SER 196 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hju s ASP 197 N -1.96 6.60 0.46 4.04 -1.08 -0.89 -4.93 116.67 118.91 3hju s ASP 197 Ca 0.17 0.67 0.31 0.00 -0.52 0.00 0.00 52.55 53.19 3hju s ASP 197 Cb 0.15 -2.36 1.43 0.00 -1.46 0.00 0.00 42.92 40.68 3hju s ASP 197 CO 0.02 -0.45 1.94 1.55 0.52 0.00 0.00 175.17 178.74 3hju h PRO 198 N 7.97 0.00 -0.01 4.34 0.13 -1.92 -1.89 132.00 140.62 3hju h PRO 198 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hju h PRO 198 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hju h PRO 198 CO 0.81 0.00 -0.07 1.28 -0.23 0.00 0.00 178.00 179.78 3hju n LEU 199 N -2.73 1.12 -4.76 1.56 4.77 -1.26 -4.78 117.00 110.92 3hju n LEU 199 Ca 0.00 -0.33 -0.37 0.00 -0.03 0.00 0.00 56.01 55.28 3hju n LEU 199 Cb 0.20 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3hju n LEU 199 CO 0.21 0.19 0.03 -0.63 -1.33 0.00 0.00 177.39 175.87 3hju s ILE 200 N -2.18 5.25 -0.40 -0.08 -1.09 -0.71 -3.92 121.20 118.07 3hju s ILE 200 Ca 0.35 0.65 -0.16 0.00 -2.23 0.00 0.00 60.65 59.26 3hju s ILE 200 Cb 0.21 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 3hju s ILE 200 CO 0.40 0.43 0.35 0.00 -1.23 0.00 0.00 174.94 174.89 3hju n ARG 202 N 5.35 0.93 -0.84 0.00 1.74 -1.26 -4.57 116.66 118.01 3hju n ARG 202 Ca -0.10 -1.25 -0.33 0.00 -0.77 0.00 0.00 57.85 55.41 3hju n ARG 202 Cb 0.48 -1.25 0.14 0.00 -1.02 0.00 0.00 32.46 30.80 3hju n ARG 202 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hju n ALA 203 N 0.68 -1.35 -0.73 7.54 0.00 -1.26 -4.64 120.51 120.75 3hju n ALA 203 Ca 0.08 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 3hju n ALA 203 Cb 0.33 -2.04 0.21 0.00 0.00 0.00 0.00 19.45 17.95 3hju n ALA 203 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hju s GLY 204 N -2.24 1.59 0.17 0.00 0.00 -1.26 -4.78 107.32 100.80 3hju s GLY 204 Ca 0.64 0.02 -0.31 0.00 0.00 0.00 0.00 44.72 45.07 3hju s GLY 204 CO 0.60 0.63 1.45 -2.27 0.00 0.00 0.00 173.10 173.52 3hju s LEU 205 N -6.88 4.38 0.38 0.66 1.98 -1.26 -4.73 118.68 113.21 3hju s LEU 205 Ca 0.67 2.50 -0.24 0.00 -2.89 0.00 0.00 54.13 54.17 3hju s LEU 205 Cb -0.23 -3.60 -0.10 0.00 0.66 0.00 0.00 46.19 42.93 3hju s LEU 205 CO 0.61 -0.71 1.00 -0.54 -1.89 0.00 0.00 176.35 174.83 3hju s LYS 206 N 0.70 4.32 0.25 1.98 1.02 -1.26 -0.00 119.74 126.75 3hju s LYS 206 Ca 0.65 1.41 -0.04 0.00 0.02 0.00 0.00 55.97 58.01 3hju s LYS 206 Cb -0.40 -2.60 0.43 0.00 -0.52 0.00 0.00 37.83 34.74 3hju s LYS 206 CO 0.34 0.02 1.78 0.28 -0.92 0.00 0.00 175.35 176.85 3hju h VAL 207 N 2.31 0.82 -0.51 3.17 2.07 -1.23 0.27 116.25 123.14 3hju h VAL 207 Ca -0.48 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3hju h VAL 207 Cb 1.20 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3hju h VAL 207 CO 0.63 0.12 0.23 0.00 0.02 0.00 0.00 177.57 178.57 3hju h PHE 209 N 0.72 0.33 -0.56 0.00 3.57 -1.54 -2.87 116.94 116.59 3hju h PHE 209 Ca 0.18 -0.24 0.10 0.00 3.53 0.00 0.00 57.97 61.53 3hju h PHE 209 Cb 0.10 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3hju h PHE 209 CO 0.01 1.20 0.13 0.78 -2.23 0.00 0.00 178.31 178.20 3hju h GLY 210 N 2.06 0.72 1.01 2.40 0.00 -0.13 -0.03 103.07 109.09 3hju h GLY 210 Ca -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3hju h GLY 210 CO 0.18 -0.08 0.40 -2.22 0.00 0.00 0.00 176.54 174.81 3hju h ILE 211 N 0.28 1.22 -0.29 2.60 2.04 -1.30 -2.01 117.51 120.05 3hju h ILE 211 Ca 0.29 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3hju h ILE 211 Cb 0.40 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3hju h ILE 211 CO -0.36 0.25 -0.02 1.56 0.00 0.00 0.00 178.15 179.58 3hju h GLN 212 N 1.00 0.45 -0.08 2.37 1.08 -1.16 -0.59 115.11 118.18 3hju h GLN 212 Ca 0.25 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 57.23 3hju h GLN 212 Cb 0.04 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3hju h GLN 212 CO -0.04 0.49 -0.54 -0.07 -0.95 0.00 0.00 178.83 177.72 3hju h LEU 213 N 0.44 0.24 -0.67 1.46 3.38 -0.77 0.35 115.31 119.74 3hju h LEU 213 Ca 0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3hju h LEU 213 Cb 0.31 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3hju h LEU 213 CO 0.01 0.74 0.12 0.25 0.09 0.00 0.00 178.44 179.65 3hju h LEU 214 N 0.17 1.05 -1.01 1.67 5.85 -1.03 -0.83 115.31 121.18 3hju h LEU 214 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3hju h LEU 214 Cb 1.01 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3hju h LEU 214 CO 0.08 1.04 0.63 0.78 -0.34 0.00 0.00 178.44 180.63 3hju h ASN 215 N 1.02 1.13 -0.49 1.25 2.35 -0.61 -1.59 115.58 118.64 3hju h ASN 215 Ca 0.20 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3hju h ASN 215 Cb 0.43 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3hju h ASN 215 CO 0.01 0.83 0.10 0.00 -1.65 0.00 0.00 177.43 176.72 3hju h ALA 216 N 1.37 0.65 -0.64 -0.83 0.00 -0.30 -1.86 119.26 117.65 3hju h ALA 216 Ca 0.35 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hju h ALA 216 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3hju h ALA 216 CO -0.07 0.36 0.14 0.28 0.00 0.00 0.00 179.25 179.96 3hju h VAL 217 N 0.68 1.25 -0.39 0.00 2.07 -0.75 -0.52 116.25 118.59 3hju h VAL 217 Ca 0.15 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.58 3hju h VAL 217 Cb 0.36 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hju h VAL 217 CO 0.01 0.35 -0.38 -1.28 0.02 0.00 0.00 177.57 176.29 3hju h SER 218 N 0.97 1.01 -0.30 0.57 0.87 -1.04 -1.81 113.55 113.82 3hju h SER 218 Ca 0.20 -0.46 -0.08 0.00 -1.23 0.00 0.00 61.79 60.22 3hju h SER 218 Cb 0.36 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3hju h SER 218 CO 0.00 1.26 -0.07 0.03 -0.53 0.00 0.00 176.83 177.52 3hju h ARG 219 N 0.77 0.69 -0.04 2.24 3.08 -1.12 -2.82 114.38 117.19 3hju h ARG 219 Ca 0.06 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3hju h ARG 219 Cb 0.98 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 3hju h ARG 219 CO 0.09 0.76 0.03 0.28 -1.07 0.00 0.00 179.97 180.06 3hju h VAL 220 N 0.64 1.02 -0.97 2.04 2.07 -0.80 0.11 116.25 120.36 3hju h VAL 220 Ca 0.12 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3hju h VAL 220 Cb 0.50 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3hju h VAL 220 CO 0.03 0.01 0.62 -0.08 0.02 0.00 0.00 177.57 178.17 3hju h GLU 221 N 0.05 1.08 -0.01 1.57 4.81 -1.24 -0.46 114.58 120.38 3hju h GLU 221 Ca 0.02 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 3hju h GLU 221 Cb 0.00 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3hju h GLU 221 CO -0.00 0.72 -0.64 0.00 -0.73 0.00 0.00 179.01 178.35 3hju h ARG 222 N 1.11 0.06 0.00 1.92 3.08 -1.36 -3.19 114.38 116.01 3hju h ARG 222 Ca 0.43 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.35 3hju h ARG 222 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3hju h ARG 222 CO -0.18 0.68 -0.38 0.00 -1.07 0.00 0.00 179.97 179.02 3hju h ALA 223 N 1.30 1.02 -0.52 0.04 0.00 0.78 -3.36 119.26 118.52 3hju h ALA 223 Ca -0.01 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.66 3hju h ALA 223 Cb 1.15 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 3hju h ALA 223 CO 0.09 0.48 -0.11 -0.07 0.00 0.00 0.00 179.25 179.63 3hju h LEU 224 N 0.00 -0.46 -2.20 0.00 3.38 -1.22 0.14 115.31 114.95 3hju h LEU 224 Ca -0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hju h LEU 224 Cb 0.88 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hju h LEU 224 CO 0.05 -0.16 0.12 -0.65 0.09 0.00 0.00 178.44 177.89 3hju h PRO 225 N 0.01 0.00 -0.28 1.13 0.11 -1.72 0.12 132.00 131.36 3hju h PRO 225 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3hju h PRO 225 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3hju h PRO 225 CO -0.53 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 177.62 3hju n LYS 226 N -2.76 2.14 -3.01 1.05 2.85 0.45 -4.66 118.16 114.22 3hju n LYS 226 Ca -0.02 -1.88 -0.41 0.00 -1.05 0.00 0.00 58.31 54.94 3hju n LYS 226 Cb 0.17 -1.32 -0.05 0.00 -0.65 0.00 0.00 35.03 33.18 3hju n LYS 226 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hju s LEU 227 N -1.07 4.08 0.00 -5.58 2.96 0.41 -4.85 118.68 114.62 3hju s LEU 227 Ca 0.25 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 3hju s LEU 227 Cb 0.14 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.84 3hju s LEU 227 CO 0.19 -0.47 0.48 0.35 -1.32 0.00 0.00 176.35 175.58 3hju n THR 228 N 5.30 0.00 -2.04 3.68 -2.24 -1.26 -1.66 114.28 116.06 3hju n THR 228 Ca 0.02 -0.48 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 3hju n THR 228 Cb 0.48 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 3hju n THR 228 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hju s VAL 229 N -0.55 2.60 0.33 2.28 0.11 -1.26 -4.35 120.40 119.56 3hju s VAL 229 Ca 0.03 0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 59.29 3hju s VAL 229 Cb 0.03 -3.28 -0.11 0.00 -1.53 0.00 0.00 36.38 31.49 3hju s VAL 229 CO 0.06 0.05 1.50 -2.84 -3.33 0.00 0.00 175.10 170.54 3hju s PRO 230 N -2.46 4.15 -0.06 1.54 0.02 -1.26 -4.71 135.00 132.23 3hju s PRO 230 Ca 0.61 2.51 -0.11 0.00 0.02 0.00 0.00 61.00 64.03 3hju s PRO 230 Cb -0.37 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.16 3hju s PRO 230 CO 0.46 -0.52 0.26 -0.59 -0.33 0.00 0.00 177.00 176.28 3hju s PHE 231 N -0.62 -0.20 -0.16 6.54 -0.71 0.41 -0.18 117.98 123.05 3hju s PHE 231 Ca 0.57 0.43 -0.05 0.00 -1.04 0.00 0.00 56.93 56.83 3hju s PHE 231 Cb -0.46 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.39 3hju s PHE 231 CO 0.55 -0.25 0.01 -1.17 -1.34 0.00 0.00 175.22 173.02 3hju s LEU 232 N -0.60 3.50 -0.13 -1.99 2.96 -0.75 -1.44 118.68 120.23 3hju s LEU 232 Ca -0.07 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3hju s LEU 232 Cb -0.04 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3hju s LEU 232 CO 0.02 0.18 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.78 3hju s LEU 233 N 0.32 2.08 -0.09 -0.68 2.96 0.30 -0.89 118.68 122.68 3hju s LEU 233 Ca -0.01 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3hju s LEU 233 Cb -0.13 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.15 3hju s LEU 233 CO 0.02 0.10 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.20 3hju s LEU 234 N 0.67 1.89 -0.10 -0.68 1.43 -0.42 -0.92 118.68 120.55 3hju s LEU 234 Ca -0.11 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 3hju s LEU 234 Cb -0.16 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 44.92 3hju s LEU 234 CO 0.01 0.09 0.26 -1.58 0.23 0.00 0.00 176.35 175.37 3hju s GLN 235 N 0.58 0.28 0.09 1.70 2.00 -0.25 -0.93 119.66 123.13 3hju s GLN 235 Ca -0.15 0.41 -0.11 0.00 -2.00 0.00 0.00 55.36 53.51 3hju s GLN 235 Cb -0.17 0.08 -0.06 0.00 0.80 0.00 0.00 33.01 33.67 3hju s GLN 235 CO 0.05 -0.07 0.43 0.20 -0.50 0.00 0.00 175.29 175.40 3hju s GLY 236 N 0.42 2.37 0.36 2.59 0.00 -1.26 -0.27 107.32 111.53 3hju s GLY 236 Ca -0.02 -0.33 0.21 0.00 0.00 0.00 0.00 44.72 44.59 3hju s GLY 236 CO -0.02 -0.09 1.47 1.48 0.00 0.00 0.00 173.10 175.94 3hju h SER 237 N 3.68 0.00 -0.82 1.64 4.64 -1.13 -3.21 113.55 118.36 3hju h SER 237 Ca -0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 3hju h SER 237 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.99 3hju h SER 237 CO 0.66 0.10 0.25 0.00 -0.87 0.00 0.00 176.83 176.98 3hju n ALA 238 N -2.14 5.54 -2.64 5.18 0.00 -0.60 -4.72 120.51 121.13 3hju n ALA 238 Ca 0.03 -3.41 -0.42 0.00 0.00 0.00 0.00 53.44 49.63 3hju n ALA 238 Cb 0.58 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 3hju n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hju s ASP 239 N -2.32 6.88 0.00 0.00 -1.08 -1.21 -4.52 116.67 114.43 3hju s ASP 239 Ca 0.57 1.05 0.26 0.00 -0.52 0.00 0.00 52.55 53.90 3hju s ASP 239 Cb 0.46 -2.48 0.68 0.00 -1.46 0.00 0.00 42.92 40.13 3hju s ASP 239 CO 0.02 -0.64 1.52 0.54 0.52 0.00 0.00 175.17 177.14 3hju n ARG 240 N 6.28 0.41 -0.13 4.34 1.74 -1.26 -3.99 116.66 124.05 3hju n ARG 240 Ca 0.08 -0.23 -0.21 0.00 -0.77 0.00 0.00 57.85 56.72 3hju n ARG 240 Cb 0.47 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 3hju n ARG 240 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hju n LEU 241 N -1.09 2.75 -3.88 0.55 4.77 -1.26 -4.78 117.00 114.06 3hju n LEU 241 Ca 0.09 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 3hju n LEU 241 Cb 0.34 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.39 3hju n LEU 241 CO 0.30 0.86 -0.33 0.00 -1.33 0.00 0.00 177.39 176.89 3hju s ASP 243 N 1.26 6.46 0.57 0.00 2.15 -1.26 -4.68 116.67 121.18 3hju s ASP 243 Ca 0.10 2.87 0.27 0.00 0.43 0.00 0.00 52.55 56.23 3hju s ASP 243 Cb -0.18 -2.64 1.58 0.00 -0.30 0.00 0.00 42.92 41.38 3hju s ASP 243 CO -0.16 -0.83 2.08 0.77 -0.17 0.00 0.00 175.17 176.85 3hju h SER 244 N 4.60 0.00 -0.40 -0.34 4.64 -1.79 0.92 113.55 121.18 3hju h SER 244 Ca -0.47 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.96 3hju h SER 244 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3hju h SER 244 CO 0.76 0.00 0.31 0.07 -0.87 0.00 0.00 176.83 177.10 3hju h LYS 245 N 0.00 0.00 -0.48 4.77 2.10 -1.96 -0.08 116.57 120.93 3hju h LYS 245 Ca 0.11 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.71 3hju h LYS 245 Cb 0.56 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 3hju h LYS 245 CO -0.00 0.00 0.07 0.78 -2.00 0.00 0.00 179.45 178.30 3hju h GLY 246 N 0.00 0.80 1.15 0.07 0.00 -1.15 -2.29 103.07 101.64 3hju h GLY 246 Ca 0.19 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hju h GLY 246 CO -0.00 0.44 0.40 0.00 0.00 0.00 0.00 176.54 177.38 3hju h ALA 247 N 1.37 1.22 -0.34 3.60 0.00 -1.13 -2.19 119.26 121.78 3hju h ALA 247 Ca 0.15 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3hju h ALA 247 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hju h ALA 247 CO 0.01 0.61 -0.24 1.88 0.00 0.00 0.00 179.25 181.50 3hju h TYR 248 N 1.11 0.91 -0.77 0.00 0.99 -1.28 -2.13 116.97 115.80 3hju h TYR 248 Ca 0.27 -0.25 0.03 0.00 2.00 0.00 0.00 58.73 60.79 3hju h TYR 248 Cb 0.08 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 37.57 3hju h TYR 248 CO 0.01 1.00 0.51 -0.07 -0.00 0.00 0.00 178.16 179.61 3hju h LEU 249 N 0.55 0.82 -0.57 3.88 3.38 -1.39 -0.68 115.31 121.31 3hju h LEU 249 Ca 0.07 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3hju h LEU 249 Cb 0.81 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hju h LEU 249 CO 0.07 0.57 -0.20 0.25 0.09 0.00 0.00 178.44 179.22 3hju h LEU 250 N 0.96 0.96 -0.90 1.67 5.85 -1.07 0.16 115.31 122.93 3hju h LEU 250 Ca 0.30 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3hju h LEU 250 Cb 0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3hju h LEU 250 CO -0.09 1.12 -0.03 0.24 -0.34 0.00 0.00 178.44 179.35 3hju h MET 251 N 0.82 0.77 0.08 1.25 2.86 -0.79 -2.26 114.93 117.66 3hju h MET 251 Ca 0.11 -0.22 -0.27 0.00 -2.06 0.00 0.00 59.70 57.26 3hju h MET 251 Cb 0.76 -0.08 0.02 0.00 0.06 0.00 0.00 31.60 32.35 3hju h MET 251 CO 0.06 0.80 -1.15 1.49 1.06 0.00 0.00 176.91 179.17 3hju h GLU 252 N 0.72 0.53 0.00 1.72 4.81 -0.67 -3.38 114.58 118.30 3hju h GLU 252 Ca 0.14 -0.68 -0.05 0.00 -0.13 0.00 0.00 59.36 58.63 3hju h GLU 252 Cb 0.48 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3hju h GLU 252 CO 0.02 1.28 -1.74 1.28 -0.73 0.00 0.00 179.01 179.13 3hju n LEU 253 N -3.75 0.29 -4.76 1.64 4.77 0.53 -4.91 117.00 110.82 3hju n LEU 253 Ca -0.11 0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3hju n LEU 253 Cb 0.95 0.04 0.03 0.00 -2.33 0.00 0.00 43.42 42.11 3hju n LEU 253 CO 0.56 0.02 0.83 0.00 -1.33 0.00 0.00 177.39 177.47 3hju s ALA 254 N -3.32 2.58 -2.46 -1.18 0.00 -0.86 -4.16 121.76 112.36 3hju s ALA 254 Ca -0.06 0.98 0.22 0.00 0.00 0.00 0.00 51.96 53.11 3hju s ALA 254 Cb 0.12 -3.44 0.36 0.00 0.00 0.00 0.00 23.12 20.16 3hju s ALA 254 CO 0.86 -1.09 1.34 1.63 0.00 0.00 0.00 175.76 178.51 3hju n LYS 255 N -1.51 2.40 -1.72 0.00 4.76 -0.67 -4.96 118.16 116.46 3hju n LYS 255 Ca 0.13 -2.17 -0.42 0.00 -2.87 0.00 0.00 58.31 52.97 3hju n LYS 255 Cb 0.50 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.19 3hju n LYS 255 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3hju n SER 256 N 1.40 3.20 0.05 4.39 7.64 -0.87 -4.83 113.62 124.60 3hju n SER 256 Ca 0.18 1.19 0.12 0.00 1.01 0.00 0.00 58.87 61.36 3hju n SER 256 Cb 0.59 -1.52 0.48 0.00 -1.01 0.00 0.00 64.21 62.75 3hju n SER 256 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hju n GLN 257 N 1.13 0.10 -3.61 1.43 1.13 -1.26 -4.50 117.38 111.80 3hju n GLN 257 Ca 0.06 0.16 -0.29 0.00 -1.94 0.00 0.00 57.00 55.00 3hju n GLN 257 Cb 0.36 -1.63 -0.12 0.00 0.11 0.00 0.00 30.24 28.96 3hju n GLN 257 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3hju s ASP 258 N -3.58 3.19 -0.03 1.08 2.15 -1.26 -5.08 116.67 113.14 3hju s ASP 258 Ca 0.10 -2.73 0.01 0.00 0.43 0.00 0.00 52.55 50.36 3hju s ASP 258 Cb 0.14 -0.84 0.02 0.00 -0.30 0.00 0.00 42.92 41.95 3hju s ASP 258 CO 0.48 -0.24 -0.01 -1.59 -0.17 0.00 0.00 175.17 173.64 3hju s LYS 259 N 0.28 0.42 -0.02 4.34 -2.85 -1.26 -0.45 119.74 120.20 3hju s LYS 259 Ca 0.21 0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.24 3hju s LYS 259 Cb -0.17 -0.54 -0.00 0.00 -2.06 0.00 0.00 37.83 35.06 3hju s LYS 259 CO -0.05 -0.11 -0.11 0.99 0.10 0.00 0.00 175.35 176.17 3hju s THR 260 N 0.91 0.90 -0.06 3.79 2.01 -0.52 -5.01 115.64 117.67 3hju s THR 260 Ca -0.10 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3hju s THR 260 Cb -0.13 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 3hju s THR 260 CO -0.01 0.26 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.77 3hju s LEU 261 N -0.07 1.93 -0.09 4.42 2.96 -1.26 -0.54 118.68 126.03 3hju s LEU 261 Ca 0.01 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3hju s LEU 261 Cb -0.07 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.55 3hju s LEU 261 CO 0.00 0.16 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.27 3hju s LYS 262 N 0.11 2.26 -0.15 1.98 2.20 -0.10 -4.98 119.74 121.07 3hju s LYS 262 Ca -0.07 -0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3hju s LYS 262 Cb -0.13 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 3hju s LYS 262 CO 0.03 0.03 0.03 0.42 -0.36 0.00 0.00 175.35 175.50 3hju s ILE 263 N 0.71 4.50 -0.33 5.43 -1.09 -1.26 -1.10 121.20 128.06 3hju s ILE 263 Ca -0.12 -0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.06 3hju s ILE 263 Cb -0.16 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3hju s ILE 263 CO 0.03 0.51 0.15 -0.31 -1.23 0.00 0.00 174.94 174.09 3hju s TYR 264 N 0.03 3.21 -0.12 3.97 1.51 0.62 -4.97 117.35 121.60 3hju s TYR 264 Ca 0.04 -0.92 -0.29 0.00 -1.01 0.00 0.00 57.07 54.88 3hju s TYR 264 Cb -0.13 -2.35 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 3hju s TYR 264 CO 0.01 -0.59 1.54 -2.00 -1.11 0.00 0.00 175.55 173.41 3hju s GLU 265 N 1.54 4.10 0.00 -0.62 2.56 -1.26 -1.30 118.70 123.72 3hju s GLU 265 Ca 0.02 1.93 0.00 0.00 0.00 0.00 0.00 54.97 56.92 3hju s GLU 265 Cb -0.18 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 32.01 3hju s GLU 265 CO 0.05 -0.92 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 3hju n GLY 266 N 4.12 1.54 3.81 -1.50 0.00 -1.26 -4.90 105.19 107.00 3hju n GLY 266 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3hju n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hju s ALA 267 N -2.89 2.95 0.31 4.61 0.00 -0.84 -4.49 121.76 121.41 3hju s ALA 267 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3hju s ALA 267 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3hju s ALA 267 CO 0.00 -0.21 0.00 0.66 0.00 0.00 0.00 175.76 176.21 3hju n TYR 268 N -1.10 0.00 -0.03 0.00 4.01 -1.26 -1.56 117.16 117.22 3hju n TYR 268 Ca 0.08 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.66 3hju n TYR 268 Cb 0.53 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.43 3hju n TYR 268 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hju h HIS 269 N 0.00 0.20 -2.74 -0.72 2.76 -1.47 -3.38 115.15 109.79 3hju h HIS 269 Ca 0.00 -0.13 -0.76 0.00 -2.20 0.00 0.00 60.37 57.28 3hju h HIS 269 Cb 0.00 -0.01 -0.22 0.00 1.55 0.00 0.00 27.41 28.73 3hju h HIS 269 CO 0.00 1.06 0.95 0.08 -1.30 0.00 0.00 177.93 178.72 3hju s VAL 270 N -2.49 5.37 0.38 5.26 1.01 0.40 -4.72 120.40 125.61 3hju s VAL 270 Ca -0.17 -2.82 0.09 0.00 0.00 0.00 0.00 61.98 59.09 3hju s VAL 270 Cb -0.01 -4.78 0.15 0.00 0.00 0.00 0.00 36.38 31.74 3hju s VAL 270 CO 0.74 -1.44 1.90 -0.07 0.00 0.00 0.00 175.10 176.23 3hju h LEU 271 N 8.64 0.24 -0.08 3.92 3.38 -1.87 0.00 115.31 129.54 3hju h LEU 271 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hju h LEU 271 Cb 0.89 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hju h LEU 271 CO 1.13 0.41 0.00 0.00 0.09 0.00 0.00 178.44 180.07 3hju n HIS 272 N -4.25 0.01 -2.74 1.13 1.44 -1.26 -3.38 115.22 106.17 3hju n HIS 272 Ca -0.01 -0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.66 3hju n HIS 272 Cb 0.28 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.44 3hju n HIS 272 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3hju n LYS 273 N -0.80 1.77 -0.46 -1.40 5.02 -0.06 -4.92 118.16 117.31 3hju n LYS 273 Ca 0.19 -3.52 0.00 0.00 -2.02 0.00 0.00 58.31 52.96 3hju n LYS 273 Cb 0.11 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3hju n LYS 273 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3hju n GLU 274 N -0.50 2.28 -1.49 1.97 4.07 -0.95 -4.61 120.64 121.41 3hju n GLU 274 Ca 0.11 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.84 3hju n GLU 274 Cb 0.81 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 32.27 3hju n GLU 274 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hju n LEU 275 N 0.00 4.03 -0.03 4.31 4.77 -1.26 -4.60 117.00 124.22 3hju n LEU 275 Ca 0.00 0.73 0.03 0.00 -0.03 0.00 0.00 56.01 56.74 3hju n LEU 275 Cb 0.00 -1.43 0.37 0.00 -2.33 0.00 0.00 43.42 40.04 3hju n LEU 275 CO 0.00 -1.81 1.12 -0.65 -1.33 0.00 0.00 177.39 174.72 3hju h PRO 276 N 0.07 0.59 -0.61 3.23 0.11 -1.98 -0.80 132.00 132.62 3hju h PRO 276 Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 3hju h PRO 276 Cb 1.34 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3hju h PRO 276 CO 0.49 0.44 0.25 1.05 -0.21 0.00 0.00 178.00 180.02 3hju h GLU 277 N 0.60 0.91 0.01 1.05 4.11 -1.99 0.10 114.58 119.37 3hju h GLU 277 Ca 0.16 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 3hju h GLU 277 Cb 0.01 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3hju h GLU 277 CO -0.03 0.77 -0.00 0.28 0.07 0.00 0.00 179.01 180.09 3hju h VAL 278 N 0.84 1.28 -0.45 -1.06 2.07 -1.54 -2.82 116.25 114.57 3hju h VAL 278 Ca 0.20 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3hju h VAL 278 Cb 0.19 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3hju h VAL 278 CO -0.02 0.22 0.28 0.74 0.02 0.00 0.00 177.57 178.82 3hju h THR 279 N -0.39 1.13 -0.87 2.57 2.02 -1.13 0.15 112.91 116.38 3hju h THR 279 Ca -0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3hju h THR 279 Cb 0.38 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3hju h THR 279 CO 0.00 0.13 0.49 0.78 0.37 0.00 0.00 175.52 177.29 3hju h ASN 280 N 0.60 1.08 -0.64 4.18 -0.26 -0.89 -1.65 115.58 118.00 3hju h ASN 280 Ca 0.16 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 3hju h ASN 280 Cb -0.04 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 36.92 3hju h ASN 280 CO -0.03 0.86 0.27 -1.28 -1.06 0.00 0.00 177.43 176.19 3hju h SER 281 N 1.21 0.88 -0.50 5.81 0.87 -1.20 -1.79 113.55 118.84 3hju h SER 281 Ca 0.31 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3hju h SER 281 Cb 0.01 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 3hju h SER 281 CO -0.05 0.80 0.23 0.58 -0.53 0.00 0.00 176.83 177.86 3hju h VAL 282 N 0.90 0.92 -0.45 2.23 2.07 -0.26 -0.07 116.25 121.60 3hju h VAL 282 Ca 0.22 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 3hju h VAL 282 Cb 0.19 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3hju h VAL 282 CO -0.02 0.08 -0.05 -0.26 0.02 0.00 0.00 177.57 177.34 3hju h PHE 283 N 0.45 0.91 -0.36 1.57 0.05 -1.21 -2.37 116.94 115.97 3hju h PHE 283 Ca 0.22 -0.18 0.02 0.00 3.82 0.00 0.00 57.97 61.85 3hju h PHE 283 Cb 0.17 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 3hju h PHE 283 CO -0.12 0.90 0.21 1.25 -0.18 0.00 0.00 178.31 180.37 3hju h HIS 284 N 0.66 0.39 -0.76 -0.55 2.76 -1.01 -1.05 115.15 115.59 3hju h HIS 284 Ca 0.12 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 3hju h HIS 284 Cb 0.57 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 3hju h HIS 284 CO 0.04 0.23 0.26 0.93 -1.30 0.00 0.00 177.93 178.09 3hju h GLU 285 N 0.43 1.16 -0.38 5.26 4.39 -0.94 -0.01 114.58 124.49 3hju h GLU 285 Ca 0.14 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 3hju h GLU 285 Cb 0.01 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3hju h GLU 285 CO -0.07 0.97 -0.15 0.82 -1.16 0.00 0.00 179.01 179.41 3hju h ILE 286 N 1.12 1.28 0.10 3.13 2.04 -1.36 -1.55 117.51 122.27 3hju h ILE 286 Ca 0.25 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.85 3hju h ILE 286 Cb 0.27 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3hju h ILE 286 CO -0.01 0.42 -0.44 -1.13 0.00 0.00 0.00 178.15 176.99 3hju h ASN 287 N 0.59 -1.32 -0.56 1.72 -0.73 -0.76 -0.99 115.58 113.53 3hju h ASN 287 Ca 0.09 0.15 0.03 0.00 1.87 0.00 0.00 56.30 58.43 3hju h ASN 287 Cb 0.70 0.50 -0.04 0.00 0.27 0.00 0.00 38.32 39.75 3hju h ASN 287 CO 0.05 -0.50 0.33 0.24 -0.37 0.00 0.00 177.43 177.18 3hju h MET 288 N -0.66 0.64 -0.30 6.67 0.00 -0.99 -0.50 114.93 119.78 3hju h MET 288 Ca 0.02 -0.04 -0.16 0.00 0.00 0.00 0.00 59.70 59.53 3hju h MET 288 Cb 0.70 -0.14 -0.00 0.00 0.00 0.00 0.00 31.60 32.15 3hju h MET 288 CO -0.27 0.42 -0.42 2.35 0.00 0.00 0.00 176.91 178.99 3hju h TRP 289 N 0.65 1.00 -0.07 -0.22 7.01 -1.08 -1.52 115.95 121.73 3hju h TRP 289 Ca 0.23 -0.33 -0.08 0.00 2.11 0.00 0.00 58.89 60.81 3hju h TRP 289 Cb 0.04 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 3hju h TRP 289 CO -0.06 1.13 -0.28 0.28 -2.79 0.00 0.00 178.44 176.72 3hju h VAL 290 N 0.59 1.43 -0.95 2.65 2.07 -1.09 -3.09 116.25 117.86 3hju h VAL 290 Ca 0.03 -1.68 0.22 0.00 0.82 0.00 0.00 66.70 66.08 3hju h VAL 290 Cb 1.02 2.33 -0.08 0.00 -1.52 0.00 0.00 31.29 33.04 3hju h VAL 290 CO 0.10 0.48 0.62 -1.28 0.02 0.00 0.00 177.57 177.51 3hju h SER 291 N -0.20 0.46 0.75 0.57 0.87 -1.10 0.74 113.55 115.63 3hju h SER 291 Ca -0.02 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3hju h SER 291 Cb 0.92 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 3hju h SER 291 CO 0.06 0.16 -0.69 1.56 -0.53 0.00 0.00 176.83 177.39 3hju h GLN 292 N 0.45 0.00 -0.48 2.24 1.08 -1.23 -2.83 115.11 114.33 3hju h GLN 292 Ca 0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.71 3hju h GLN 292 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3hju h GLN 292 CO -0.22 0.69 0.00 0.54 -0.95 0.00 0.00 178.83 178.88 3hju n ARG 293 N -3.66 2.43 -0.07 1.46 1.74 -0.47 -3.96 116.66 114.14 3hju n ARG 293 Ca -0.01 -2.19 -0.06 0.00 -0.77 0.00 0.00 57.85 54.82 3hju n ARG 293 Cb 0.69 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.51 3hju n ARG 293 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hju n THR 294 N 1.34 0.93 -0.33 0.55 -1.04 0.13 -3.93 114.28 111.94 3hju n THR 294 Ca 0.20 -0.61 0.02 0.00 -2.04 0.00 0.00 64.05 61.62 3hju n THR 294 Cb 0.55 -0.53 0.16 0.00 -1.82 0.00 0.00 70.33 68.69 3hju n THR 294 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hju h ALA 295 N 0.81 1.25 -0.74 2.41 0.00 -1.65 -3.01 119.26 118.33 3hju h ALA 295 Ca -0.37 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.62 3hju h ALA 295 Cb 1.81 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 3hju h ALA 295 CO 0.02 0.30 0.40 1.15 0.00 0.00 0.00 179.25 181.12 3hju h THR 296 N 1.00 0.91 0.00 0.00 2.02 -1.74 -3.53 112.91 111.58 3hju h THR 296 Ca 0.40 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3hju h THR 296 Cb 0.20 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3hju h THR 296 CO -0.18 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.83