#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hju s PRO 7 N 0.00 4.18 0.31 4.33 0.04 -1.26 -4.96 135.00 137.65 3hju s PRO 7 Ca 0.00 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 3hju s PRO 7 Cb 0.00 -2.88 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3hju s PRO 7 CO 0.00 -0.28 1.33 1.03 0.04 0.00 0.00 177.00 179.12 3hju s ARG 8 N -2.03 4.34 0.17 4.56 1.81 -1.26 -4.92 118.95 121.61 3hju s ARG 8 Ca 0.53 2.23 0.07 0.00 -1.72 0.00 0.00 55.73 56.84 3hju s ARG 8 Cb -0.36 -3.08 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 3hju s ARG 8 CO 0.47 -0.23 -0.15 1.03 -0.68 0.00 0.00 175.30 175.74 3hju s ARG 9 N -1.53 1.21 0.89 3.54 0.52 -1.26 -1.29 118.95 121.03 3hju s ARG 9 Ca 0.51 -1.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 3hju s ARG 9 Cb -0.40 -1.10 0.12 0.00 0.52 0.00 0.00 34.95 34.09 3hju s ARG 9 CO 0.51 0.20 1.09 0.95 0.02 0.00 0.00 175.30 178.08 3hju s THR 10 N -2.47 2.71 0.34 0.02 -4.23 0.63 -4.84 115.64 107.79 3hju s THR 10 Ca 0.16 0.23 0.35 0.00 -1.18 0.00 0.00 61.69 61.25 3hju s THR 10 Cb -0.03 -2.61 0.35 0.00 1.34 0.00 0.00 72.50 71.55 3hju s THR 10 CO 0.05 -0.30 2.06 -0.65 -0.54 0.00 0.00 174.62 175.25 3hju h PRO 11 N -1.57 0.00 -0.65 3.99 0.11 -1.81 0.14 132.00 132.22 3hju h PRO 11 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hju h PRO 11 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hju h PRO 11 CO 0.51 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.34 3hju n GLN 12 N -2.74 3.69 -1.00 1.05 3.00 -1.26 -4.94 117.38 115.18 3hju n GLN 12 Ca -0.02 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 3hju n GLN 12 Cb 0.08 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.41 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 0.97 -2.84 -4.70 1.08 7.64 0.49 -5.02 113.62 111.23 3hju n SER 13 Ca 0.24 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.72 3hju n SER 13 Cb 0.88 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.14 4.97 0.22 0.44 1.01 -1.26 -4.73 121.20 119.71 3hju s ILE 14 Ca 0.00 1.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.96 3hju s ILE 14 Cb 0.00 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.24 3hju s ILE 14 CO 0.00 0.17 1.58 -2.84 0.00 0.00 0.00 174.94 173.85 3hju s PRO 15 N 1.22 4.18 0.59 2.79 0.02 -1.26 -0.27 135.00 142.27 3hju s PRO 15 Ca 0.41 2.46 0.29 0.00 0.02 0.00 0.00 61.00 64.17 3hju s PRO 15 Cb -0.18 -3.10 1.63 0.00 0.02 0.00 0.00 34.50 32.87 3hju s PRO 15 CO 0.19 -0.61 2.05 1.88 -0.33 0.00 0.00 177.00 180.17 3hju h TYR 16 N 5.98 0.00 0.00 6.54 0.05 -1.52 0.24 116.97 128.26 3hju h TYR 16 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3hju h TYR 16 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 3hju h TYR 16 CO 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.73 3hju n GLN 17 N -3.72 0.15 0.00 4.88 10.64 -1.26 -1.79 117.38 126.28 3hju n GLN 17 Ca 0.03 0.35 0.13 0.00 -1.83 0.00 0.00 57.00 55.68 3hju n GLN 17 Cb 0.41 -1.77 0.36 0.00 -0.86 0.00 0.00 30.24 28.38 3hju n GLN 17 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3hju n ASP 18 N -2.04 1.01 -4.28 2.61 8.00 0.85 -4.96 116.55 117.74 3hju n ASP 18 Ca 0.03 -0.86 -0.16 0.00 0.71 0.00 0.00 54.79 54.51 3hju n ASP 18 Cb 0.24 0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 3hju n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hju s LEU 19 N -2.54 2.53 0.30 0.64 1.43 -0.74 -5.07 118.68 115.22 3hju s LEU 19 Ca 0.23 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 3hju s LEU 19 Cb 0.19 -0.46 -0.10 0.00 0.03 0.00 0.00 46.19 45.85 3hju s LEU 19 CO 0.54 -0.27 1.29 -2.84 0.23 0.00 0.00 176.35 175.30 3hju s PRO 20 N -3.62 4.39 0.33 1.29 0.02 -1.26 -4.94 135.00 131.21 3hju s PRO 20 Ca 0.18 2.14 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 3hju s PRO 20 Cb 0.01 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.45 3hju s PRO 20 CO 0.03 -0.17 0.68 -3.38 -0.33 0.00 0.00 177.00 173.83 3hju s HIS 21 N -0.84 0.22 0.18 6.54 -3.43 -1.26 -1.87 115.29 114.83 3hju s HIS 21 Ca 0.51 -0.73 -0.05 0.00 -0.80 0.00 0.00 55.06 53.98 3hju s HIS 21 Cb -0.38 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.31 3hju s HIS 21 CO 0.48 -1.34 0.21 -0.48 -2.00 0.00 0.00 174.74 171.62 3hju s LEU 22 N -3.05 1.13 -0.15 5.38 0.05 -0.02 -4.88 118.68 117.15 3hju s LEU 22 Ca 0.18 -1.10 0.02 0.00 0.05 0.00 0.00 54.13 53.28 3hju s LEU 22 Cb -0.04 0.83 0.01 0.00 -2.05 0.00 0.00 46.19 44.94 3hju s LEU 22 CO 0.11 -0.87 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.14 3hju s VAL 23 N -4.04 2.14 0.87 1.48 1.01 -1.26 -0.10 120.40 120.50 3hju s VAL 23 Ca 0.25 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3hju s VAL 23 Cb 0.05 -1.87 0.16 0.00 0.00 0.00 0.00 36.38 34.72 3hju s VAL 23 CO 0.05 0.54 1.21 0.54 0.00 0.00 0.00 175.10 177.45 3hju s ASN 24 N 0.87 3.68 0.62 3.32 2.20 0.47 -4.86 114.94 121.25 3hju s ASN 24 Ca -0.05 0.23 0.38 0.00 -0.94 0.00 0.00 52.86 52.48 3hju s ASN 24 Cb -0.15 -0.45 2.06 0.00 -2.00 0.00 0.00 41.25 40.71 3hju s ASN 24 CO -0.03 -2.36 2.27 0.00 -2.94 0.00 0.00 177.10 174.04 3hju h ALA 25 N -1.26 1.15 -0.11 3.54 0.00 -1.97 0.20 119.26 120.81 3hju h ALA 25 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hju h ALA 25 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hju h ALA 25 CO 0.44 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 3hju n ASP 26 N -3.32 0.82 -0.47 0.00 8.00 -1.26 -4.92 116.55 115.39 3hju n ASP 26 Ca -0.02 -1.72 -0.05 0.00 0.71 0.00 0.00 54.79 53.70 3hju n ASP 26 Cb 0.12 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.88 0.54 3.71 0.44 0.00 0.70 -5.04 105.19 106.42 3hju n GLY 27 Ca 0.11 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.14 3.13 -0.02 1.61 -0.21 -1.25 -4.84 119.66 114.93 3hju s GLN 28 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.36 54.74 3hju s GLN 28 Cb 0.00 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 3hju s GLN 28 CO 0.00 0.69 0.95 0.71 -2.12 0.00 0.00 175.29 175.52 3hju s TYR 29 N -0.83 3.63 -0.12 0.91 2.02 -1.26 -0.39 117.35 121.30 3hju s TYR 29 Ca 0.13 1.63 -0.01 0.00 -0.37 0.00 0.00 57.07 58.45 3hju s TYR 29 Cb -0.12 -3.09 -0.02 0.00 -0.40 0.00 0.00 41.96 38.33 3hju s TYR 29 CO 0.03 -0.02 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.38 3hju s LEU 30 N 1.10 2.94 0.26 -1.29 1.43 0.85 -1.27 118.68 122.71 3hju s LEU 30 Ca 0.50 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3hju s LEU 30 Cb -0.20 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.26 3hju s LEU 30 CO 0.26 0.21 1.16 0.12 0.23 0.00 0.00 176.35 178.32 3hju s PHE 31 N 0.12 3.46 0.20 0.29 5.36 -1.26 -0.84 117.98 125.31 3hju s PHE 31 Ca -0.04 1.58 0.11 0.00 -0.96 0.00 0.00 56.93 57.61 3hju s PHE 31 Cb -0.14 -3.38 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 3hju s PHE 31 CO 0.04 -0.92 -0.21 0.00 -1.46 0.00 0.00 175.22 172.66 3hju s ARG 33 N -2.88 -0.01 -0.05 0.00 3.52 0.15 -4.46 118.95 115.22 3hju s ARG 33 Ca 0.21 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.95 3hju s ARG 33 Cb -0.07 -0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.21 3hju s ARG 33 CO 0.10 -0.08 -0.16 0.71 -0.81 0.00 0.00 175.30 175.05 3hju s TYR 34 N 0.51 1.67 -0.28 5.12 2.02 -1.26 -1.59 117.35 123.54 3hju s TYR 34 Ca -0.04 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3hju s TYR 34 Cb -0.06 -1.13 0.08 0.00 -0.40 0.00 0.00 41.96 40.44 3hju s TYR 34 CO -0.02 -0.18 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.18 3hju s TRP 35 N 0.12 2.98 -0.15 2.71 0.51 0.84 -5.01 118.94 120.94 3hju s TRP 35 Ca -0.05 -2.29 -0.00 0.00 -2.12 0.00 0.00 56.10 51.63 3hju s TRP 35 Cb -0.12 -2.10 -0.01 0.00 -0.81 0.00 0.00 33.47 30.43 3hju s TRP 35 CO 0.02 -0.87 -0.13 0.21 -0.51 0.00 0.00 176.95 175.68 3hju s LYS 36 N 1.19 3.34 0.83 4.98 2.20 -1.26 -0.97 119.74 130.05 3hju s LYS 36 Ca -0.00 -0.69 -0.11 0.00 -0.36 0.00 0.00 55.97 54.80 3hju s LYS 36 Cb -0.19 -2.67 0.09 0.00 -1.51 0.00 0.00 37.83 33.55 3hju s LYS 36 CO -0.08 0.12 1.09 -1.25 -0.36 0.00 0.00 175.35 174.86 3hju s PRO 37 N 0.60 1.80 0.12 4.03 0.04 -1.26 -4.98 135.00 135.34 3hju s PRO 37 Ca -0.07 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 3hju s PRO 37 Cb -0.16 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3hju s PRO 37 CO 0.03 -1.89 1.61 1.15 0.04 0.00 0.00 177.00 177.94 3hju h THR 38 N -1.30 1.23 -4.11 1.26 2.02 -1.98 -3.46 112.91 106.58 3hju h THR 38 Ca -0.47 -0.81 -0.15 0.00 0.77 0.00 0.00 66.41 65.75 3hju h THR 38 Cb 1.26 1.05 0.03 0.00 -1.74 0.00 0.00 68.15 68.75 3hju h THR 38 CO 0.54 0.28 0.03 0.61 0.37 0.00 0.00 175.52 177.35 3hju n GLY 39 N -0.53 0.89 3.73 2.16 0.00 -1.26 -5.00 105.19 105.17 3hju n GLY 39 Ca -0.01 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3hju n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hju n THR 40 N -1.81 0.91 -2.36 2.61 -1.04 -1.26 -4.93 114.28 106.41 3hju n THR 40 Ca 0.05 -0.23 -0.37 0.00 -2.04 0.00 0.00 64.05 61.47 3hju n THR 40 Cb 0.19 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 66.83 3hju n THR 40 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3hju s PRO 41 N -0.34 3.85 0.14 -2.82 0.01 -1.26 -4.93 135.00 129.65 3hju s PRO 41 Ca 0.66 1.66 0.12 0.00 0.01 0.00 0.00 61.00 63.45 3hju s PRO 41 Cb -0.53 -2.40 -0.11 0.00 0.01 0.00 0.00 34.50 31.47 3hju s PRO 41 CO 0.47 -0.45 1.17 0.87 0.01 0.00 0.00 177.00 179.07 3hju h LYS 42 N 2.09 0.00 -3.03 5.54 1.57 -1.30 -3.49 116.57 117.95 3hju h LYS 42 Ca -0.49 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3hju h LYS 42 Cb 1.24 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 3hju h LYS 42 CO 0.60 0.65 0.20 0.00 -0.57 0.00 0.00 179.45 180.34 3hju s ALA 43 N -2.81 -1.38 -0.02 3.86 0.00 -1.25 -4.30 121.76 115.85 3hju s ALA 43 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3hju s ALA 43 Cb 0.09 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 3hju s ALA 43 CO 0.80 -0.88 0.03 -0.51 0.00 0.00 0.00 175.76 175.19 3hju s LEU 44 N -2.83 3.65 -0.03 0.00 1.43 0.11 -1.30 118.68 119.71 3hju s LEU 44 Ca 0.06 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3hju s LEU 44 Cb -0.03 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3hju s LEU 44 CO -0.04 0.30 0.03 -0.51 0.23 0.00 0.00 176.35 176.37 3hju s ILE 45 N -1.07 -0.00 -0.09 -0.59 2.07 -0.63 -0.02 121.20 120.86 3hju s ILE 45 Ca 0.19 0.27 -0.14 0.00 -1.41 0.00 0.00 60.65 59.55 3hju s ILE 45 Cb -0.12 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 3hju s ILE 45 CO 0.09 0.15 0.36 0.12 -1.91 0.00 0.00 174.94 173.75 3hju s PHE 46 N 1.55 3.58 -0.21 3.50 5.36 -0.41 -1.71 117.98 129.65 3hju s PHE 46 Ca -0.03 0.80 -0.05 0.00 -0.96 0.00 0.00 56.93 56.69 3hju s PHE 46 Cb -0.13 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.20 3hju s PHE 46 CO -0.03 0.41 0.01 0.08 -1.46 0.00 0.00 175.22 174.23 3hju s VAL 47 N -0.19 3.95 -0.31 3.12 1.01 -0.58 -0.37 120.40 127.03 3hju s VAL 47 Ca 0.21 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3hju s VAL 47 Cb -0.15 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.47 3hju s VAL 47 CO 0.09 0.41 0.04 -0.55 0.00 0.00 0.00 175.10 175.09 3hju s SER 48 N 1.13 5.01 0.83 3.32 0.15 0.12 -4.42 113.70 119.84 3hju s SER 48 Ca 0.03 -1.11 -0.12 0.00 0.70 0.00 0.00 55.95 55.44 3hju s SER 48 Cb -0.14 -1.78 0.09 0.00 -1.71 0.00 0.00 66.02 62.47 3hju s SER 48 CO 0.01 -0.26 1.13 -1.38 1.20 0.00 0.00 173.24 173.94 3hju s HIS 49 N 1.34 2.80 0.90 3.44 -3.43 -1.26 -2.16 115.29 116.92 3hju s HIS 49 Ca -0.02 0.93 -0.14 0.00 -0.80 0.00 0.00 55.06 55.02 3hju s HIS 49 Cb -0.19 -3.30 0.15 0.00 -1.43 0.00 0.00 32.58 27.81 3hju s HIS 49 CO 0.00 -1.93 1.26 0.20 -2.00 0.00 0.00 174.74 172.27 3hju s GLY 50 N -4.16 1.70 0.33 -1.38 0.00 -1.18 -2.55 107.32 100.07 3hju s GLY 50 Ca 0.62 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 44.08 3hju s GLY 50 CO 0.52 -0.31 1.44 0.00 0.00 0.00 0.00 173.10 174.75 3hju s ALA 51 N -3.74 3.59 0.00 3.20 0.00 -1.26 -2.85 121.76 120.69 3hju s ALA 51 Ca 0.69 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.08 3hju s ALA 51 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3hju s ALA 51 CO 0.51 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3hju n GLY 52 N 1.15 3.09 0.00 0.00 0.00 -1.26 -4.97 105.19 103.21 3hju n GLY 52 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.59 3.97 -3.81 1.61 0.28 -1.13 -0.45 120.64 119.52 3hju n GLU 53 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 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 2.93 -0.10 0.15 -1.84 -3.43 -1.26 -4.02 115.29 107.72 3hju s HIS 54 Ca 0.00 -0.32 0.22 0.00 -0.80 0.00 0.00 55.06 54.16 3hju s HIS 54 Cb 0.00 0.70 0.84 0.00 -1.43 0.00 0.00 32.58 32.69 3hju s HIS 54 CO 0.00 -1.08 1.80 0.66 -2.00 0.00 0.00 174.74 174.12 3hju h SER 55 N 2.00 0.00 0.60 7.38 4.64 -1.96 -2.97 113.55 123.23 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 0.28 0.00 1.23 -0.87 0.00 0.00 176.83 177.74 3hju h GLY 56 N 2.03 0.00 1.35 -0.77 0.00 -1.97 -2.49 103.07 101.22 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 0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.12 3hju n ARG 57 N -2.51 0.38 -0.50 4.80 1.74 -1.12 -3.31 116.66 116.14 3hju n ARG 57 Ca 0.01 0.07 0.08 0.00 -0.77 0.00 0.00 57.85 57.24 3hju n ARG 57 Cb 0.20 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.17 1.05 0.05 -1.55 4.01 -0.94 -4.73 117.16 113.88 3hju n TYR 58 Ca 0.11 -0.89 -0.11 0.00 -0.16 0.00 0.00 57.90 56.84 3hju n TYR 58 Cb 0.11 -0.34 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 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 1.94 -0.09 0.04 -0.72 4.57 -1.75 0.11 114.58 118.68 3hju h GLU 59 Ca 0.01 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hju h GLU 59 Cb 1.50 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 3hju h GLU 59 CO 0.25 -0.06 -0.02 0.93 -1.18 0.00 0.00 179.01 178.94 3hju h GLU 60 N -0.09 -0.05 -0.80 1.92 5.08 -1.90 -0.92 114.58 117.83 3hju h GLU 60 Ca 0.02 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 3hju h GLU 60 Cb 0.12 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 3hju h GLU 60 CO -0.05 0.26 0.35 1.25 -1.00 0.00 0.00 179.01 179.81 3hju h LEU 61 N -0.36 0.34 -0.97 1.33 5.85 -1.89 -1.17 115.31 118.45 3hju h LEU 61 Ca -0.01 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3hju h LEU 61 Cb 0.33 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3hju h LEU 61 CO 0.01 0.12 -0.18 0.00 -0.34 0.00 0.00 178.44 178.04 3hju h ALA 62 N 1.58 1.13 -0.53 1.25 0.00 -0.57 -2.33 119.26 119.79 3hju h ALA 62 Ca 0.45 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3hju h ALA 62 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hju h ALA 62 CO -0.41 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 3hju h ARG 63 N 0.49 1.02 -0.48 0.00 3.08 -0.01 -0.17 114.38 118.32 3hju h ARG 63 Ca 0.08 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 59.77 3hju h ARG 63 Cb 0.59 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3hju h ARG 63 CO 0.04 1.08 0.26 1.98 -1.07 0.00 0.00 179.97 182.26 3hju h MET 64 N 0.89 0.51 -0.57 0.04 4.05 -1.14 -0.97 114.93 117.75 3hju h MET 64 Ca 0.13 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 3hju h MET 64 Cb 0.70 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 3hju h MET 64 CO 0.05 0.34 0.01 -0.07 0.23 0.00 0.00 176.91 177.46 3hju h LEU 65 N 0.52 0.96 -0.75 3.39 3.38 -1.22 -2.64 115.31 118.95 3hju h LEU 65 Ca 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hju h LEU 65 Cb 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hju h LEU 65 CO -0.12 1.01 0.37 -0.03 0.09 0.00 0.00 178.44 179.76 3hju h MET 66 N 0.90 1.07 -0.19 1.13 4.05 -0.86 -0.28 114.93 120.76 3hju h MET 66 Ca 0.17 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3hju h MET 66 Cb 0.52 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3hju h MET 66 CO 0.03 0.83 0.33 0.78 0.23 0.00 0.00 176.91 179.10 3hju h GLY 67 N 1.05 0.00 -1.23 1.39 0.00 -0.81 0.10 103.07 103.58 3hju h GLY 67 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hju h GLY 67 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 3hju n LEU 68 N -3.39 1.77 -1.97 3.11 4.77 -0.14 -4.87 117.00 116.29 3hju n LEU 68 Ca 0.02 -0.89 -0.17 0.00 -0.03 0.00 0.00 56.01 54.94 3hju n LEU 68 Cb 0.44 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hju n LEU 68 CO 0.22 0.38 -0.20 0.47 -1.33 0.00 0.00 177.39 176.93 3hju n ASP 69 N 0.31 -4.99 -4.87 -1.43 8.00 0.36 -4.82 116.55 109.10 3hju n ASP 69 Ca 0.10 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.21 3hju n ASP 69 Cb 0.31 -4.07 -0.05 0.00 -0.02 0.00 0.00 41.12 37.29 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 -4.90 4.36 -0.40 0.64 1.02 -1.05 -0.82 118.68 117.54 3hju s LEU 70 Ca 0.02 0.70 -0.21 0.00 0.02 0.00 0.00 54.13 54.66 3hju s LEU 70 Cb -0.01 -2.86 0.01 0.00 0.02 0.00 0.00 46.19 43.35 3hju s LEU 70 CO 0.03 0.20 0.64 -0.22 0.02 0.00 0.00 176.35 177.02 3hju s LEU 71 N -1.86 4.38 -0.05 1.79 0.20 -0.42 -4.10 118.68 118.62 3hju s LEU 71 Ca 0.31 -0.12 -0.09 0.00 0.69 0.00 0.00 54.13 54.93 3hju s LEU 71 Cb -0.14 -2.75 -0.05 0.00 -0.43 0.00 0.00 46.19 42.83 3hju s LEU 71 CO 0.17 -0.69 0.24 -0.69 -0.29 0.00 0.00 176.35 175.10 3hju s VAL 72 N 2.77 5.33 0.11 1.68 1.01 -0.15 -1.61 120.40 129.54 3hju s VAL 72 Ca 0.23 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3hju s VAL 72 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3hju s VAL 72 CO 0.17 0.53 0.29 0.72 0.00 0.00 0.00 175.10 176.81 3hju s PHE 73 N -1.13 0.02 0.09 5.22 -0.71 -0.69 -0.11 117.98 120.66 3hju s PHE 73 Ca 0.21 -0.40 -0.26 0.00 -1.04 0.00 0.00 56.93 55.44 3hju s PHE 73 Cb -0.13 0.08 0.08 0.00 -1.21 0.00 0.00 43.02 41.84 3hju s PHE 73 CO 0.10 -0.63 0.87 0.00 -1.34 0.00 0.00 175.22 174.22 3hju s ALA 74 N -3.85 -1.70 0.06 1.99 0.00 -0.62 -1.53 121.76 116.12 3hju s ALA 74 Ca 0.05 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 3hju s ALA 74 Cb 0.03 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3hju s ALA 74 CO -0.10 -0.85 0.04 -3.38 0.00 0.00 0.00 175.76 171.46 3hju s HIS 75 N -3.31 0.41 0.01 0.00 -3.43 -1.26 -0.68 115.29 107.03 3hju s HIS 75 Ca 0.07 -0.92 -0.30 0.00 -0.80 0.00 0.00 55.06 53.11 3hju s HIS 75 Cb -0.01 -0.29 -0.03 0.00 -1.43 0.00 0.00 32.58 30.81 3hju s HIS 75 CO -0.05 -0.43 0.99 -0.51 -2.00 0.00 0.00 174.74 172.75 3hju s ASP 76 N -2.89 7.36 0.77 7.38 1.01 -0.41 -4.63 116.67 125.26 3hju s ASP 76 Ca 0.06 1.68 -0.13 0.00 0.71 0.00 0.00 52.55 54.88 3hju s ASP 76 Cb 0.07 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.49 3hju s ASP 76 CO -0.10 -0.27 1.14 -1.00 0.21 0.00 0.00 175.17 175.16 3hju s HIS 77 N 0.98 2.19 0.24 4.23 3.76 -1.26 -4.50 115.29 120.93 3hju s HIS 77 Ca 0.52 1.63 -0.31 0.00 -0.15 0.00 0.00 55.06 56.75 3hju s HIS 77 Cb -0.22 -3.27 -0.14 0.00 1.11 0.00 0.00 32.58 30.06 3hju s HIS 77 CO 0.28 -2.27 1.23 1.33 -0.85 0.00 0.00 174.74 174.46 3hju n VAL 78 N -3.22 1.27 -0.75 -0.90 0.24 -1.26 -1.49 118.33 112.21 3hju n VAL 78 Ca 0.11 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3hju n VAL 78 Cb 0.52 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3hju n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hju n GLY 79 N 1.77 0.61 3.02 7.63 0.00 -0.02 -4.78 105.19 113.41 3hju n GLY 79 Ca 0.12 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 0.45 0.00 1.61 4.02 -0.56 -1.23 115.29 117.59 3hju s HIS 80 Ca 0.00 -0.51 0.00 0.00 1.02 0.00 0.00 55.06 55.57 3hju s HIS 80 Cb 0.00 -0.29 0.00 0.00 -1.02 0.00 0.00 32.58 31.27 3hju s HIS 80 CO 0.00 -0.14 0.00 0.41 1.02 0.00 0.00 174.74 176.03 3hju n GLY 81 N 1.56 3.39 0.86 -2.22 0.00 -1.25 -1.27 105.19 106.25 3hju n GLY 81 Ca -0.23 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 2.10 -2.67 1.61 6.02 -1.26 -4.79 117.38 132.39 3hju n GLN 82 Ca 0.00 -1.65 -0.23 0.00 -0.01 0.00 0.00 57.00 55.11 3hju n GLN 82 Cb 0.00 -1.37 0.03 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.98 5.48 0.84 1.08 0.01 -0.40 -4.33 113.70 115.40 3hju s SER 83 Ca 0.31 0.28 -0.12 0.00 1.31 0.00 0.00 55.95 57.72 3hju s SER 83 Cb 0.16 -1.29 0.10 0.00 0.21 0.00 0.00 66.02 65.20 3hju s SER 83 CO 0.20 -1.02 1.19 -1.61 0.41 0.00 0.00 173.24 172.41 3hju s GLU 84 N -4.79 1.72 0.00 12.44 2.02 -0.39 -4.42 118.70 125.28 3hju s GLU 84 Ca 0.54 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.61 3hju s GLU 84 Cb -0.10 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.20 3hju s GLU 84 CO 0.40 -1.76 0.00 0.41 0.02 0.00 0.00 175.26 174.33 3hju n GLY 85 N -3.21 3.07 3.68 -1.39 0.00 -1.26 -0.84 105.19 105.24 3hju n GLY 85 Ca 0.08 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.28 2.05 -1.71 1.61 2.13 -1.26 -4.38 120.64 118.80 3hju n GLU 86 Ca 0.00 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 58.11 3hju n GLU 86 Cb 0.00 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 29.37 3hju n GLU 86 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hju n ARG 87 N 1.06 2.57 -4.16 5.31 3.00 -1.26 -2.98 116.66 120.20 3hju n ARG 87 Ca 0.07 0.92 -0.30 0.00 -0.01 0.00 0.00 57.85 58.53 3hju n ARG 87 Cb 0.34 -2.73 -0.06 0.00 0.00 0.00 0.00 32.46 30.01 3hju n ARG 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3hju n MET 88 N 3.35 -1.71 -4.04 5.56 2.81 -0.36 -4.97 117.12 117.77 3hju n MET 88 Ca 0.14 0.21 -0.13 0.00 -1.81 0.00 0.00 57.70 56.11 3hju n MET 88 Cb 0.34 -3.85 -0.13 0.00 -0.71 0.00 0.00 33.22 28.87 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 -4.16 0.28 -0.19 2.03 1.01 -1.16 -4.69 120.40 113.53 3hju s VAL 89 Ca 0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3hju s VAL 89 Cb -0.02 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.11 3hju s VAL 89 CO 0.96 -0.08 0.50 0.54 0.00 0.00 0.00 175.10 177.01 3hju s VAL 90 N -0.49 -0.00 0.16 2.92 0.11 -1.26 -4.67 120.40 117.18 3hju s VAL 90 Ca -0.03 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.88 3hju s VAL 90 Cb -0.04 -0.70 0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3hju s VAL 90 CO -0.00 0.00 1.77 0.77 -3.33 0.00 0.00 175.10 174.31 3hju h SER 91 N 5.37 0.65 -4.44 3.54 4.64 -2.01 -3.44 113.55 117.86 3hju h SER 91 Ca -0.28 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 60.83 3hju h SER 91 Cb 1.18 -0.17 -0.22 0.00 -0.31 0.00 0.00 62.40 62.88 3hju h SER 91 CO 0.19 0.55 -0.28 -0.62 -0.87 0.00 0.00 176.83 175.80 3hju s ASP 92 N -5.82 -0.28 0.50 4.97 2.15 -1.26 -5.05 116.67 111.88 3hju s ASP 92 Ca -0.13 0.39 0.18 0.00 0.43 0.00 0.00 52.55 53.43 3hju s ASP 92 Cb 0.12 0.51 1.24 0.00 -0.30 0.00 0.00 42.92 44.49 3hju s ASP 92 CO 0.76 -0.29 2.06 0.15 -0.17 0.00 0.00 175.17 177.68 3hju h PHE 93 N 4.69 0.11 -0.01 -5.34 3.57 -1.85 -1.76 116.94 116.35 3hju h PHE 93 Ca -0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3hju h PHE 93 Cb 1.18 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 3hju h PHE 93 CO 0.46 0.06 0.03 1.25 -2.23 0.00 0.00 178.31 177.88 3hju h HIS 94 N 0.11 0.00 -0.95 0.41 2.76 -1.96 -1.31 115.15 114.21 3hju h HIS 94 Ca 0.15 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.44 3hju h HIS 94 Cb 0.44 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.32 3hju h HIS 94 CO -0.00 0.00 0.58 0.28 -1.30 0.00 0.00 177.93 177.49 3hju h VAL 95 N 0.00 0.89 -0.82 5.26 2.07 -1.75 0.38 116.25 122.28 3hju h VAL 95 Ca 0.01 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3hju h VAL 95 Cb 0.06 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.70 3hju h VAL 95 CO -0.00 0.17 0.40 -0.26 0.02 0.00 0.00 177.57 177.90 3hju h PHE 96 N 0.91 1.17 -0.03 1.57 0.04 -1.44 -0.73 116.94 118.43 3hju h PHE 96 Ca 0.47 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.17 3hju h PHE 96 Cb 0.49 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3hju h PHE 96 CO -0.02 0.84 -0.06 0.28 -0.60 0.00 0.00 178.31 178.74 3hju h VAL 97 N 1.17 1.44 -0.68 -0.55 2.07 -1.07 -2.01 116.25 116.62 3hju h VAL 97 Ca 0.28 -1.40 0.13 0.00 0.82 0.00 0.00 66.70 66.53 3hju h VAL 97 Cb 0.10 2.31 -0.09 0.00 -1.52 0.00 0.00 31.29 32.09 3hju h VAL 97 CO -0.04 0.38 0.21 -0.09 0.02 0.00 0.00 177.57 178.05 3hju h ARG 98 N -0.44 0.34 -0.44 1.57 2.43 -0.25 -1.09 114.38 116.49 3hju h ARG 98 Ca 0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 3hju h ARG 98 Cb 0.65 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3hju h ARG 98 CO 0.01 0.23 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.06 3hju h ASP 99 N 0.35 0.90 -0.20 -3.80 3.32 -1.04 -0.46 116.42 115.49 3hju h ASP 99 Ca 0.37 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hju h ASP 99 Cb 0.55 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3hju h ASP 99 CO -0.41 1.08 0.13 0.58 -1.72 0.00 0.00 179.24 178.90 3hju h VAL 100 N 0.77 1.05 -0.67 -1.35 2.07 -0.81 -1.77 116.25 115.55 3hju h VAL 100 Ca 0.11 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3hju h VAL 100 Cb 0.74 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3hju h VAL 100 CO 0.06 0.05 0.44 -0.07 0.02 0.00 0.00 177.57 178.07 3hju h LEU 101 N 0.27 0.61 -0.16 2.57 3.38 -0.89 0.17 115.31 121.25 3hju h LEU 101 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hju h LEU 101 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hju h LEU 101 CO -0.02 0.40 0.01 -0.61 0.09 0.00 0.00 178.44 178.31 3hju h GLN 102 N 0.70 0.29 -0.67 1.13 4.15 -0.76 -0.11 115.11 119.84 3hju h GLN 102 Ca 0.28 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 3hju h GLN 102 Cb 0.23 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3hju h GLN 102 CO -0.09 0.49 0.16 1.25 -1.93 0.00 0.00 178.83 178.72 3hju h HIS 103 N 0.04 1.12 -0.27 3.99 2.76 -0.74 -1.33 115.15 120.72 3hju h HIS 103 Ca 0.05 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 3hju h HIS 103 Cb 0.36 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3hju h HIS 103 CO 0.03 0.92 -0.02 0.28 -1.30 0.00 0.00 177.93 177.84 3hju h VAL 104 N 0.99 1.26 -0.95 5.26 2.07 -0.53 -1.68 116.25 122.68 3hju h VAL 104 Ca 0.21 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3hju h VAL 104 Cb 0.36 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 3hju h VAL 104 CO 0.00 0.31 0.61 0.44 0.02 0.00 0.00 177.57 178.95 3hju h ASP 105 N 0.26 0.92 -0.25 0.57 3.32 -0.87 0.27 116.42 120.63 3hju h ASP 105 Ca 0.07 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3hju h ASP 105 Cb 0.45 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hju h ASP 105 CO 0.02 0.56 0.05 0.28 -1.72 0.00 0.00 179.24 178.43 3hju h SER 106 N 1.03 0.40 -0.43 6.45 0.02 -1.03 -2.22 113.55 117.76 3hju h SER 106 Ca 0.42 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3hju h SER 106 Cb 0.29 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3hju h SER 106 CO -0.18 0.54 0.07 0.24 -1.14 0.00 0.00 176.83 176.36 3hju h MET 107 N 0.23 0.79 -0.04 3.45 2.86 -0.90 -2.83 114.93 118.50 3hju h MET 107 Ca 0.08 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 3hju h MET 107 Cb 0.31 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3hju h MET 107 CO 0.00 0.75 -0.57 1.96 1.06 0.00 0.00 176.91 180.11 3hju h GLN 108 N 0.75 0.11 -0.22 1.72 4.20 -0.77 -1.03 115.11 119.88 3hju h GLN 108 Ca 0.16 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.82 3hju h GLN 108 Cb 0.36 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3hju h GLN 108 CO 0.01 0.65 0.03 0.87 -0.67 0.00 0.00 178.83 179.71 3hju h LYS 109 N 0.09 0.10 0.00 1.46 1.57 -1.18 -1.89 116.57 116.72 3hju h LYS 109 Ca -0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3hju h LYS 109 Cb 1.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3hju h LYS 109 CO 0.08 0.07 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.36 3hju h ASP 110 N 0.10 0.00 -2.08 0.86 3.32 -1.22 -3.34 116.42 114.06 3hju h ASP 110 Ca 0.10 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.59 3hju h ASP 110 Cb 0.11 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.26 3hju h ASP 110 CO -0.15 0.22 -0.95 -1.22 -1.72 0.00 0.00 179.24 175.43 3hju n TYR 111 N -4.04 1.20 -1.33 4.55 4.01 -0.43 -5.11 117.16 116.01 3hju n TYR 111 Ca -0.02 -3.80 -0.35 0.00 -0.16 0.00 0.00 57.90 53.56 3hju n TYR 111 Cb 0.30 -0.43 0.09 0.00 -0.31 0.00 0.00 39.34 38.99 3hju n TYR 111 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3hju n PRO 112 N 0.90 0.49 0.00 -0.72 -0.02 -0.74 -3.34 135.00 131.57 3hju n PRO 112 Ca 0.25 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hju n PRO 112 Cb 0.51 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3hju n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hju n GLY 113 N 0.97 2.91 3.79 -1.23 0.00 -1.26 -5.01 105.19 105.35 3hju n GLY 113 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 4.25 0.51 0.99 1.43 -1.21 -5.04 118.68 119.61 3hju s LEU 114 Ca 0.00 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 54.75 3hju s LEU 114 Cb 0.00 -4.12 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 3hju s LEU 114 CO 0.00 -0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.31 3hju s PRO 115 N -2.29 3.63 -0.10 1.29 0.04 -1.26 -4.82 135.00 131.49 3hju s PRO 115 Ca 0.53 1.40 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3hju s PRO 115 Cb -0.18 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.31 3hju s PRO 115 CO 0.23 -0.58 -0.17 0.54 0.04 0.00 0.00 177.00 177.06 3hju s VAL 116 N -1.99 1.58 0.21 -0.36 0.11 -1.26 -0.71 120.40 117.97 3hju s VAL 116 Ca 0.68 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 3hju s VAL 116 Cb -0.18 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 3hju s VAL 116 CO 0.24 0.45 0.15 -0.36 -3.33 0.00 0.00 175.10 172.25 3hju s PHE 117 N 0.75 3.10 -0.01 1.54 0.40 0.97 -1.07 117.98 123.66 3hju s PHE 117 Ca -0.11 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 3hju s PHE 117 Cb -0.16 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 3hju s PHE 117 CO 0.02 0.52 -0.26 -0.51 0.70 0.00 0.00 175.22 175.70 3hju s LEU 118 N -3.45 2.06 -0.09 -0.37 1.43 -0.36 -1.29 118.68 116.62 3hju s LEU 118 Ca 0.32 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3hju s LEU 118 Cb -0.09 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3hju s LEU 118 CO 0.24 0.31 -0.11 -0.22 0.23 0.00 0.00 176.35 176.80 3hju s LEU 119 N -0.68 1.48 0.01 1.79 0.20 0.50 -0.88 118.68 121.10 3hju s LEU 119 Ca 0.10 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.62 3hju s LEU 119 Cb -0.10 -0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 44.78 3hju s LEU 119 CO -0.01 -0.03 -0.05 -0.83 -0.29 0.00 0.00 176.35 175.14 3hju s GLY 120 N 1.12 0.29 -0.09 7.98 0.00 -0.27 0.14 107.32 116.49 3hju s GLY 120 Ca -0.06 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.34 3hju s GLY 120 CO -0.02 -0.35 -0.21 -1.58 0.00 0.00 0.00 173.10 170.93 3hju s HIS 121 N -0.50 2.30 0.00 1.90 5.04 -0.92 -1.08 115.29 122.03 3hju s HIS 121 Ca -0.02 -0.91 0.00 0.00 -1.54 0.00 0.00 55.06 52.59 3hju s HIS 121 Cb -0.04 -1.56 0.00 0.00 0.04 0.00 0.00 32.58 31.02 3hju s HIS 121 CO -0.00 -0.37 0.00 0.45 -2.34 0.00 0.00 174.74 172.48 3hju n SER 122 N 3.53 0.00 -0.16 9.88 2.88 -0.82 -0.23 113.62 128.71 3hju n SER 122 Ca -0.20 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.43 3hju n SER 122 Cb 0.53 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.62 -0.27 -1.46 1.85 -1.85 0.22 114.93 114.04 3hju h MET 123 Ca 0.00 -0.04 0.07 0.00 -0.61 0.00 0.00 59.70 59.12 3hju h MET 123 Cb 0.00 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 3hju h MET 123 CO 0.00 0.41 0.19 0.78 -0.40 0.00 0.00 176.91 177.89 3hju h GLY 124 N 0.64 0.05 1.25 1.39 0.00 -0.32 -1.33 103.07 104.75 3hju h GLY 124 Ca 0.31 -0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.39 3hju h GLY 124 CO -0.10 0.01 -0.88 -1.33 0.00 0.00 0.00 176.54 174.23 3hju h GLY 125 N 0.04 0.78 1.02 4.60 0.00 -0.59 -1.10 103.07 107.83 3hju h GLY 125 Ca 0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 47.33 46.20 3hju h GLY 125 CO -0.01 1.08 0.28 0.00 0.00 0.00 0.00 176.54 177.89 3hju h ALA 126 N 0.54 0.90 -0.54 3.60 0.00 -1.02 -0.97 119.26 121.77 3hju h ALA 126 Ca -0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hju h ALA 126 Cb 1.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hju h ALA 126 CO 0.17 0.52 0.33 0.82 0.00 0.00 0.00 179.25 181.10 3hju h ILE 127 N 0.99 1.07 -0.51 0.00 2.04 -1.17 -1.69 117.51 118.25 3hju h ILE 127 Ca 0.23 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3hju h ILE 127 Cb 0.21 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3hju h ILE 127 CO -0.02 0.12 0.24 0.00 0.00 0.00 0.00 178.15 178.49 3hju h ALA 128 N 1.23 0.66 -0.14 1.87 0.00 -0.88 -0.24 119.26 121.76 3hju h ALA 128 Ca 0.21 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hju h ALA 128 Cb -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3hju h ALA 128 CO -0.08 0.22 -0.13 0.82 0.00 0.00 0.00 179.25 180.08 3hju h ILE 129 N 0.68 0.64 0.00 0.00 2.04 -0.89 -0.52 117.51 119.46 3hju h ILE 129 Ca 0.17 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.95 3hju h ILE 129 Cb 0.12 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3hju h ILE 129 CO -0.02 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.65 3hju h LEU 130 N -0.15 0.00 0.13 1.44 3.38 -1.18 -0.13 115.31 118.80 3hju h LEU 130 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hju h LEU 130 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hju h LEU 130 CO -0.23 0.41 -0.06 0.74 0.09 0.00 0.00 178.44 179.39 3hju h THR 131 N 0.00 1.04 -0.74 0.22 2.02 -0.62 -2.19 112.91 112.64 3hju h THR 131 Ca -0.00 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3hju h THR 131 Cb 0.78 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 3hju h THR 131 CO 0.05 0.18 0.49 0.00 0.37 0.00 0.00 175.52 176.62 3hju h ALA 132 N 0.24 1.53 -0.37 6.16 0.00 -0.95 -2.96 119.26 122.92 3hju h ALA 132 Ca -0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3hju h ALA 132 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hju h ALA 132 CO 0.03 0.41 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 3hju h ALA 133 N 1.56 0.76 0.00 0.00 0.00 -0.92 -2.34 119.26 118.31 3hju h ALA 133 Ca 0.29 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hju h ALA 133 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hju h ALA 133 CO -0.08 0.65 -0.11 1.49 0.00 0.00 0.00 179.25 181.21 3hju h GLU 134 N 0.68 0.00 -2.36 0.00 4.81 -1.23 -3.34 114.58 113.13 3hju h GLU 134 Ca 0.07 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.71 3hju h GLU 134 Cb 0.85 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.83 3hju h GLU 134 CO 0.07 0.11 -0.78 0.54 -0.73 0.00 0.00 179.01 178.22 3hju n ARG 135 N -3.72 1.53 -1.68 1.92 1.74 -0.89 -5.11 116.66 110.46 3hju n ARG 135 Ca -0.02 -4.02 -0.44 0.00 -0.77 0.00 0.00 57.85 52.60 3hju n ARG 135 Cb 0.22 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 3hju n ARG 135 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hju n PRO 136 N 1.55 2.17 -0.38 5.56 -0.02 -1.21 -1.47 135.00 141.19 3hju n PRO 136 Ca 0.25 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3hju n PRO 136 Cb 0.44 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3hju n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hju n GLY 137 N 2.40 1.83 0.12 -1.23 0.00 -1.26 -4.90 105.19 102.15 3hju n GLY 137 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.43 -3.08 1.61 6.17 -1.60 -3.45 115.15 115.22 3hju h HIS 138 Ca 0.00 -0.31 -0.60 0.00 0.71 0.00 0.00 60.37 60.17 3hju h HIS 138 Cb 0.00 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 29.86 3hju h HIS 138 CO 0.00 1.49 -0.17 -0.06 0.71 0.00 0.00 177.93 179.90 3hju s PHE 139 N -2.59 3.72 0.25 5.26 0.08 -1.26 -4.68 117.98 118.75 3hju s PHE 139 Ca -0.13 1.02 0.06 0.00 0.12 0.00 0.00 56.93 58.00 3hju s PHE 139 Cb 0.07 -2.31 0.28 0.00 -0.57 0.00 0.00 43.02 40.49 3hju s PHE 139 CO 0.82 0.61 1.58 0.00 -0.10 0.00 0.00 175.22 178.13 3hju h ALA 140 N 4.48 0.89 -1.29 5.36 0.00 -1.43 -3.45 119.26 123.83 3hju h ALA 140 Ca -0.51 -0.55 0.36 0.00 0.00 0.00 0.00 54.91 54.22 3hju h ALA 140 Cb 1.21 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 3hju h ALA 140 CO 0.63 0.74 0.91 0.20 0.00 0.00 0.00 179.25 181.73 3hju s GLY 141 N -4.37 -0.44 -0.03 0.00 0.00 -1.25 -4.42 107.32 96.81 3hju s GLY 141 Ca -0.03 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.48 3hju s GLY 141 CO 0.79 0.56 -0.04 -0.29 0.00 0.00 0.00 173.10 174.11 3hju s MET 142 N -2.21 0.65 -0.21 2.90 1.75 0.41 -1.23 119.30 121.38 3hju s MET 142 Ca 0.16 -0.12 -0.03 0.00 -1.25 0.00 0.00 55.69 54.45 3hju s MET 142 Cb 0.06 -0.67 -0.00 0.00 2.84 0.00 0.00 34.83 37.06 3hju s MET 142 CO -0.05 -0.01 -0.07 0.08 -0.65 0.00 0.00 175.02 174.31 3hju s VAL 143 N 0.57 3.14 -0.18 10.11 1.01 -0.06 -0.79 120.40 134.19 3hju s VAL 143 Ca -0.07 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3hju s VAL 143 Cb -0.10 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3hju s VAL 143 CO -0.00 0.45 -0.09 -0.76 0.00 0.00 0.00 175.10 174.70 3hju s LEU 144 N 1.36 2.77 -0.33 3.92 1.43 0.11 -1.12 118.68 126.83 3hju s LEU 144 Ca 0.04 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3hju s LEU 144 Cb -0.14 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3hju s LEU 144 CO -0.04 0.06 0.11 -0.63 0.23 0.00 0.00 176.35 176.07 3hju s ILE 145 N 1.00 3.99 -1.09 -0.59 1.01 -0.24 -0.37 121.20 124.91 3hju s ILE 145 Ca -0.01 -0.90 -0.32 0.00 0.00 0.00 0.00 60.65 59.43 3hju s ILE 145 Cb -0.15 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.20 3hju s ILE 145 CO -0.01 -0.08 0.61 -1.54 0.00 0.00 0.00 174.94 173.93 3hju n SER 146 N 4.86 -3.70 -4.76 3.58 3.41 0.97 -1.94 113.62 116.05 3hju n SER 146 Ca -0.13 -1.18 -0.37 0.00 -0.26 0.00 0.00 58.87 56.92 3hju n SER 146 Cb 0.46 -1.42 0.02 0.00 -0.26 0.00 0.00 64.21 63.01 3hju n SER 146 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3hju s PRO 147 N -7.21 3.32 -0.51 4.33 0.04 -1.26 -2.60 135.00 131.11 3hju s PRO 147 Ca 0.44 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 3hju s PRO 147 Cb -0.25 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3hju s PRO 147 CO 0.88 -0.97 1.38 -1.17 0.04 0.00 0.00 177.00 177.16 3hju s LEU 148 N -3.47 3.48 0.00 -3.56 2.96 -0.18 -4.71 118.68 113.21 3hju s LEU 148 Ca 0.70 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 3hju s LEU 148 Cb -0.34 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3hju s LEU 148 CO 0.40 -1.58 0.00 0.52 -1.32 0.00 0.00 176.35 174.37 3hju n VAL 149 N 6.92 0.00 -4.94 1.68 0.31 -1.26 -4.15 118.33 116.90 3hju n VAL 149 Ca 0.13 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.19 3hju n VAL 149 Cb 0.49 -0.23 -0.16 0.00 -0.91 0.00 0.00 33.84 33.03 3hju n VAL 149 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hju s LEU 150 N -2.32 1.92 0.28 7.52 2.96 -1.26 -4.81 118.68 122.97 3hju s LEU 150 Ca 0.00 -0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 3hju s LEU 150 Cb 0.00 -1.10 -0.11 0.00 0.50 0.00 0.00 46.19 45.48 3hju s LEU 150 CO 0.00 0.14 1.48 0.00 -1.32 0.00 0.00 176.35 176.65 3hju s ALA 151 N 0.20 3.65 -0.79 5.97 0.00 -1.26 -4.80 121.76 124.73 3hju s ALA 151 Ca -0.09 1.42 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 3hju s ALA 151 Cb -0.14 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3hju s ALA 151 CO 0.04 -0.84 1.84 1.21 0.00 0.00 0.00 175.76 178.02 3hju s ASN 152 N 0.28 5.34 0.00 0.00 2.47 -1.26 -4.45 114.94 117.33 3hju s ASN 152 Ca 0.59 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.55 3hju s ASN 152 Cb -0.44 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.81 3hju s ASN 152 CO 0.47 -2.47 0.00 -2.65 -3.72 0.00 0.00 177.10 168.74 3hju n PRO 153 N 9.02 -0.67 -2.99 0.43 -0.02 -1.26 -4.72 135.00 134.78 3hju n PRO 153 Ca 0.30 -0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 3hju n PRO 153 Cb 0.49 0.19 -0.05 0.00 -0.02 0.00 0.00 33.50 34.11 3hju n PRO 153 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hju s GLU 154 N -2.36 3.28 1.02 -0.52 0.41 -1.26 -5.04 118.70 114.22 3hju s GLU 154 Ca 0.00 -0.43 -0.19 0.00 -0.41 0.00 0.00 54.97 53.94 3hju s GLU 154 Cb 0.00 -4.03 -0.05 0.00 -1.78 0.00 0.00 34.13 28.27 3hju s GLU 154 CO 0.00 -1.28 -0.46 -1.13 -0.49 0.00 0.00 175.26 171.90 3hju n SER 155 N 6.79 -3.36 0.26 -0.19 3.41 -1.26 -4.61 113.62 114.65 3hju n SER 155 Ca -0.01 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 3hju n SER 155 Cb 0.47 -0.86 0.71 0.00 -0.26 0.00 0.00 64.21 64.26 3hju n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hju h ALA 156 N -1.43 1.49 -0.00 7.33 0.00 -1.98 -1.14 119.26 123.53 3hju h ALA 156 Ca -0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hju h ALA 156 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hju h ALA 156 CO 0.29 0.13 -0.00 1.15 0.00 0.00 0.00 179.25 180.82 3hju h THR 157 N 0.00 1.52 -0.12 0.00 2.02 -1.99 -2.80 112.91 111.54 3hju h THR 157 Ca -0.00 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.67 3hju h THR 157 Cb 0.23 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 3hju h THR 157 CO 0.01 0.40 -0.08 0.74 0.37 0.00 0.00 175.52 176.96 3hju h THR 158 N -0.65 0.75 -0.61 3.16 2.02 -1.87 -1.46 112.91 114.24 3hju h THR 158 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 3hju h THR 158 Cb 0.66 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3hju h THR 158 CO 0.00 0.00 0.44 0.15 0.37 0.00 0.00 175.52 176.48 3hju h PHE 159 N -0.09 0.01 0.00 3.16 3.57 -1.30 0.38 116.94 122.67 3hju h PHE 159 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3hju h PHE 159 Cb 0.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3hju h PHE 159 CO -0.21 0.00 0.00 1.63 -2.23 0.00 0.00 178.31 177.50 3hju n LYS 160 N -4.36 0.04 0.20 1.11 4.76 -0.55 0.01 118.16 119.38 3hju n LYS 160 Ca 0.12 0.31 0.14 0.00 -2.87 0.00 0.00 58.31 56.01 3hju n LYS 160 Cb 0.68 -1.50 0.53 0.00 -1.84 0.00 0.00 35.03 32.90 3hju n LYS 160 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3hju h VAL 161 N 0.00 0.07 -1.06 -0.18 -1.51 -0.25 1.36 116.25 114.68 3hju h VAL 161 Ca 0.00 0.00 0.33 0.00 -1.23 0.00 0.00 66.70 65.80 3hju h VAL 161 Cb 0.09 0.38 -0.14 0.00 -2.13 0.00 0.00 31.29 29.49 3hju h VAL 161 CO 0.00 0.00 0.63 0.25 -1.23 0.00 0.00 177.57 177.22 3hju h LEU 162 N 0.00 0.47 -0.68 4.19 7.12 -0.63 2.24 115.31 128.02 3hju h LEU 162 Ca 0.11 0.17 0.09 0.00 0.13 0.00 0.00 57.88 58.38 3hju h LEU 162 Cb 1.45 0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 41.63 3hju h LEU 162 CO -0.00 -0.11 0.34 0.00 -0.13 0.00 0.00 178.44 178.53 3hju h ALA 163 N 1.78 0.92 0.00 1.25 0.00 0.16 -2.40 119.26 120.97 3hju h ALA 163 Ca 0.73 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.68 3hju h ALA 163 Cb 1.80 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3hju h ALA 163 CO -0.53 -0.05 -0.07 0.00 0.00 0.00 0.00 179.25 178.59 3hju h ALA 164 N 1.41 1.00 -0.93 0.00 0.00 0.35 -2.89 119.26 118.19 3hju h ALA 164 Ca 0.33 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.29 3hju h ALA 164 Cb 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3hju h ALA 164 CO -0.25 0.09 0.56 -0.22 0.00 0.00 0.00 179.25 179.43 3hju h LYS 165 N 0.00 0.85 0.00 0.00 3.64 -0.35 7.52 116.57 128.23 3hju h LYS 165 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hju h LYS 165 Cb 0.68 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hju h LYS 165 CO 0.01 0.56 0.00 1.33 -2.27 0.00 0.00 179.45 179.08 3hju n VAL 166 N -4.70 0.40 0.02 2.00 0.24 -1.13 -0.70 118.33 114.47 3hju n VAL 166 Ca 0.17 0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.45 3hju n VAL 166 Cb 0.36 -0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 31.87 3hju n VAL 166 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hju h LEU 167 N 0.00 0.18 0.00 1.34 3.38 0.34 -2.71 115.31 117.84 3hju h LEU 167 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hju h LEU 167 Cb 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hju h LEU 167 CO 0.00 1.25 0.00 -3.20 0.09 0.00 0.00 178.44 176.58 3hju n ASN 168 N -3.28 0.00 0.04 -0.43 2.85 2.27 1.00 115.26 117.71 3hju n ASN 168 Ca -0.16 0.02 -0.14 0.00 -0.11 0.00 0.00 54.58 54.19 3hju n ASN 168 Cb 1.03 -0.34 -0.14 0.00 1.24 0.00 0.00 39.78 41.57 3hju n ASN 168 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3hju h LEU 169 N 0.00 0.26 0.21 1.20 3.38 -1.00 -2.24 115.31 117.12 3hju h LEU 169 Ca 0.00 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3hju h LEU 169 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hju h LEU 169 CO 0.00 1.34 -0.10 1.62 0.09 0.00 0.00 178.44 181.39 3hju h VAL 170 N 0.05 0.11 -3.45 1.22 3.04 -0.32 -3.41 116.25 113.48 3hju h VAL 170 Ca -0.24 -0.85 -0.64 0.00 -1.01 0.00 0.00 66.70 63.96 3hju h VAL 170 Cb 1.99 0.19 -0.40 0.00 -2.01 0.00 0.00 31.29 31.06 3hju h VAL 170 CO 0.13 0.03 -0.69 -0.76 -1.01 0.00 0.00 177.57 175.28 3hju s LEU 171 N -8.85 4.15 0.39 3.16 1.43 6.74 -5.00 118.68 120.70 3hju s LEU 171 Ca -0.05 -2.47 0.14 0.00 -1.03 0.00 0.00 54.13 50.72 3hju s LEU 171 Cb 0.00 -1.50 0.81 0.00 0.03 0.00 0.00 46.19 45.53 3hju s LEU 171 CO 0.17 -0.32 1.86 -0.65 0.23 0.00 0.00 176.35 177.64 3hju h PRO 172 N 7.16 0.00 -0.37 1.29 0.10 -1.51 -2.61 132.00 136.06 3hju h PRO 172 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.04 3hju h PRO 172 Cb 0.96 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.06 3hju h PRO 172 CO 0.57 0.33 0.00 0.09 0.10 0.00 0.00 178.00 179.09 3hju n ASN 173 N -4.06 2.06 -4.65 -2.05 3.02 -1.26 -4.69 115.26 103.62 3hju n ASN 173 Ca -0.02 -1.97 -0.48 0.00 -0.03 0.00 0.00 54.58 52.09 3hju n ASN 173 Cb 0.38 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 3hju n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3hju n LEU 174 N 0.62 2.72 -4.45 3.41 7.94 -0.99 -4.86 117.00 121.39 3hju n LEU 174 Ca 0.14 1.09 -0.30 0.00 -1.11 0.00 0.00 56.01 55.82 3hju n LEU 174 Cb 0.33 -1.35 -0.12 0.00 0.53 0.00 0.00 43.42 42.81 3hju n LEU 174 CO 0.09 -0.48 -0.51 -0.44 -1.11 0.00 0.00 177.39 174.95 3hju s SER 175 N 1.06 3.70 0.39 1.96 0.01 -1.26 -0.97 113.70 118.59 3hju s SER 175 Ca 0.82 -0.54 0.20 0.00 1.31 0.00 0.00 55.95 57.74 3hju s SER 175 Cb -0.76 -0.50 0.76 0.00 0.21 0.00 0.00 66.02 65.73 3hju s SER 175 CO 0.42 0.22 1.77 0.25 0.41 0.00 0.00 173.24 176.31 3hju h LEU 176 N 4.18 0.00 0.00 2.44 5.85 -1.33 -3.47 115.31 122.98 3hju h LEU 176 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3hju h LEU 176 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3hju h LEU 176 CO 0.45 0.34 0.00 0.61 -0.34 0.00 0.00 178.44 179.50 3hju n GLY 177 N 0.12 2.43 3.82 3.75 0.00 -1.26 -4.93 105.19 109.11 3hju n GLY 177 Ca -0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.17 3.33 0.33 1.61 0.04 -1.26 -4.36 135.00 130.53 3hju s PRO 178 Ca 0.00 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 3hju s PRO 178 Cb 0.00 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3hju s PRO 178 CO 0.00 -0.79 0.64 0.96 0.04 0.00 0.00 177.00 177.85 3hju s ILE 179 N -2.66 4.93 -0.10 0.56 -4.36 -1.26 -5.00 121.20 113.30 3hju s ILE 179 Ca 0.61 0.30 -0.30 0.00 -0.26 0.00 0.00 60.65 61.00 3hju s ILE 179 Cb -0.14 -3.73 -0.03 0.00 1.25 0.00 0.00 42.46 39.81 3hju s ILE 179 CO 0.41 -0.38 1.34 -0.62 0.24 0.00 0.00 174.94 175.93 3hju s ASP 180 N -3.11 6.90 0.53 4.36 -1.08 -1.26 -4.89 116.67 118.12 3hju s ASP 180 Ca 0.47 1.87 0.35 0.00 -0.52 0.00 0.00 52.55 54.72 3hju s ASP 180 Cb -0.11 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.38 3hju s ASP 180 CO 0.30 -0.75 2.03 0.77 0.52 0.00 0.00 175.17 178.04 3hju h SER 181 N 8.24 0.00 0.56 -0.34 4.64 -1.98 -2.46 113.55 122.20 3hju h SER 181 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3hju h SER 181 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hju h SER 181 CO 0.94 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.36 3hju n SER 182 N -2.95 0.00 0.15 4.97 3.41 -1.26 -2.12 113.62 115.82 3hju n SER 182 Ca -0.00 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 3hju n SER 182 Cb 0.23 -0.40 0.49 0.00 -0.26 0.00 0.00 64.21 64.27 3hju n SER 182 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hju h VAL 183 N 0.00 0.00 -0.21 -3.33 2.07 -1.84 -3.33 116.25 109.61 3hju h VAL 183 Ca 0.00 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3hju h VAL 183 Cb 0.28 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hju h VAL 183 CO 0.00 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.40 3hju h LEU 184 N 0.00 0.47 -7.00 2.57 -0.00 -1.62 -3.34 115.31 106.39 3hju h LEU 184 Ca 0.00 -0.43 -0.06 0.00 -0.00 0.00 0.00 57.88 57.39 3hju h LEU 184 Cb 0.48 -0.13 -0.19 0.00 -0.00 0.00 0.00 40.66 40.81 3hju h LEU 184 CO 0.00 0.80 0.19 -0.55 -0.00 0.00 0.00 178.44 178.88 3hju s SER 185 N -6.16 -0.66 0.39 -0.43 0.15 -1.25 -1.03 113.70 104.71 3hju s SER 185 Ca -0.14 0.71 0.21 0.00 0.70 0.00 0.00 55.95 57.44 3hju s SER 185 Cb 0.07 0.54 0.40 0.00 -1.71 0.00 0.00 66.02 65.32 3hju s SER 185 CO 0.77 -0.61 1.61 0.03 1.20 0.00 0.00 173.24 176.24 3hju h ARG 186 N 2.99 0.00 -6.52 5.44 3.08 -1.86 -3.43 114.38 114.07 3hju h ARG 186 Ca -0.27 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.21 3hju h ARG 186 Cb 1.14 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 3hju h ARG 186 CO 0.39 0.22 0.89 1.21 -1.07 0.00 0.00 179.97 181.61 3hju s ASN 187 N -6.26 6.77 0.20 7.04 3.84 -1.26 -4.90 114.94 120.36 3hju s ASN 187 Ca 0.04 0.75 -0.04 0.00 0.21 0.00 0.00 52.86 53.82 3hju s ASN 187 Cb 0.07 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.36 3hju s ASN 187 CO 0.68 -1.09 1.56 0.11 -2.79 0.00 0.00 177.10 175.58 3hju h LYS 188 N 8.73 0.69 -0.52 0.43 1.79 -1.96 -2.08 116.57 123.65 3hju h LYS 188 Ca -0.22 -0.35 0.08 0.00 -2.18 0.00 0.00 60.65 57.98 3hju h LYS 188 Cb 1.06 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.65 3hju h LYS 188 CO 1.08 0.96 0.15 1.15 -1.08 0.00 0.00 179.45 181.71 3hju h THR 189 N 0.57 0.76 -0.45 -0.16 2.02 -1.98 -0.57 112.91 113.10 3hju h THR 189 Ca 0.05 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 3hju h THR 189 Cb 0.92 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3hju h THR 189 CO 0.08 0.06 -0.13 -0.33 0.37 0.00 0.00 175.52 175.57 3hju h GLU 190 N 0.31 0.84 -0.77 6.66 4.39 -1.77 0.01 114.58 124.24 3hju h GLU 190 Ca 0.26 -0.29 0.08 0.00 0.34 0.00 0.00 59.36 59.75 3hju h GLU 190 Cb 0.33 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 3hju h GLU 190 CO -0.30 0.92 0.44 0.28 -1.16 0.00 0.00 179.01 179.18 3hju h VAL 191 N 0.75 0.92 -0.21 3.13 2.07 -1.04 -0.53 116.25 121.35 3hju h VAL 191 Ca 0.12 -0.26 -0.20 0.00 0.82 0.00 0.00 66.70 67.18 3hju h VAL 191 Cb 0.63 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3hju h VAL 191 CO 0.04 0.14 -0.66 0.44 0.02 0.00 0.00 177.57 177.55 3hju h ASP 192 N 0.75 0.89 -0.71 0.57 3.32 -0.36 -1.01 116.42 119.87 3hju h ASP 192 Ca 0.36 -0.53 0.03 0.00 0.02 0.00 0.00 57.03 56.92 3hju h ASP 192 Cb 0.30 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3hju h ASP 192 CO -0.23 1.31 0.45 0.40 -1.72 0.00 0.00 179.24 179.46 3hju h ILE 193 N 0.56 1.11 -0.77 0.35 2.04 -0.85 -1.24 117.51 118.71 3hju h ILE 193 Ca -0.02 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3hju h ILE 193 Cb 1.26 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3hju h ILE 193 CO 0.14 0.16 0.47 0.22 0.00 0.00 0.00 178.15 179.14 3hju h TYR 194 N 0.89 1.00 0.00 1.37 3.20 -0.91 -1.94 116.97 120.57 3hju h TYR 194 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3hju h TYR 194 Cb 0.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.94 3hju h TYR 194 CO -0.04 0.66 0.00 -0.91 -1.64 0.00 0.00 178.16 176.23 3hju h ASN 195 N 1.05 0.00 -0.10 -2.11 2.35 -0.69 -3.21 115.58 112.87 3hju h ASN 195 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3hju h ASN 195 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3hju h ASN 195 CO -0.05 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.19 3hju n SER 196 N -3.04 2.27 -4.67 5.81 3.41 -0.51 -4.96 113.62 111.92 3hju n SER 196 Ca 0.01 -1.63 -0.43 0.00 -0.26 0.00 0.00 58.87 56.57 3hju n SER 196 Cb 0.34 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.03 7.07 0.26 4.04 -1.08 -0.77 -4.92 116.67 120.25 3hju s ASP 197 Ca 0.17 1.54 0.25 0.00 -0.52 0.00 0.00 52.55 53.99 3hju s ASP 197 Cb 0.11 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.97 3hju s ASP 197 CO 0.16 -0.65 1.74 1.55 0.52 0.00 0.00 175.17 178.49 3hju h PRO 198 N 7.61 0.00 -0.00 4.34 0.13 -1.92 -2.86 132.00 139.30 3hju h PRO 198 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hju h PRO 198 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hju h PRO 198 CO 0.95 0.00 -0.36 1.28 -0.23 0.00 0.00 178.00 179.64 3hju n LEU 199 N -2.30 0.77 -4.74 1.56 4.77 -1.26 -4.83 117.00 110.96 3hju n LEU 199 Ca 0.03 -0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.48 3hju n LEU 199 Cb 0.30 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3hju n LEU 199 CO 0.24 0.16 0.34 -0.63 -1.33 0.00 0.00 177.39 176.16 3hju s ILE 200 N -2.72 4.96 -0.32 -0.08 1.01 -1.08 -3.85 121.20 119.12 3hju s ILE 200 Ca 0.19 1.33 -0.19 0.00 0.00 0.00 0.00 60.65 61.98 3hju s ILE 200 Cb 0.18 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 3hju s ILE 200 CO 0.60 0.34 0.56 0.00 0.00 0.00 0.00 174.94 176.45 3hju n ARG 202 N 5.78 2.33 -1.51 0.00 1.74 -1.26 -4.69 116.66 119.05 3hju n ARG 202 Ca -0.03 -2.13 -0.34 0.00 -0.77 0.00 0.00 57.85 54.58 3hju n ARG 202 Cb 0.49 -1.46 0.08 0.00 -1.02 0.00 0.00 32.46 30.55 3hju n ARG 202 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hju s ALA 203 N -1.45 2.20 0.82 7.54 0.00 -1.26 -4.80 121.76 124.82 3hju s ALA 203 Ca 0.34 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 3hju s ALA 203 Cb 0.20 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.99 3hju s ALA 203 CO 0.29 -1.73 1.14 0.20 0.00 0.00 0.00 175.76 175.66 3hju s GLY 204 N -2.19 1.86 -0.12 0.00 0.00 -1.26 -4.83 107.32 100.78 3hju s GLY 204 Ca 0.72 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 45.72 3hju s GLY 204 CO 0.44 0.97 1.69 -2.27 0.00 0.00 0.00 173.10 173.94 3hju s LEU 205 N -6.01 4.12 0.38 0.66 2.96 -1.26 -4.74 118.68 114.79 3hju s LEU 205 Ca 0.67 2.02 -0.27 0.00 -0.22 0.00 0.00 54.13 56.34 3hju s LEU 205 Cb -0.23 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.84 3hju s LEU 205 CO 0.54 -1.12 1.28 -0.54 -1.32 0.00 0.00 176.35 175.19 3hju s LYS 206 N 4.43 4.09 0.23 1.98 1.02 -1.26 -0.90 119.74 129.33 3hju s LYS 206 Ca 0.75 2.11 -0.07 0.00 0.02 0.00 0.00 55.97 58.78 3hju s LYS 206 Cb -0.31 -2.83 0.38 0.00 -0.52 0.00 0.00 37.83 34.56 3hju s LYS 206 CO 0.30 -0.38 1.70 0.28 -0.92 0.00 0.00 175.35 176.34 3hju h VAL 207 N 2.59 0.60 0.00 3.17 2.07 -1.34 0.15 116.25 123.49 3hju h VAL 207 Ca -0.49 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3hju h VAL 207 Cb 1.24 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3hju h VAL 207 CO 0.63 0.05 -0.28 0.00 0.02 0.00 0.00 177.57 177.99 3hju h PHE 209 N 0.00 1.02 -0.99 0.00 3.57 -1.27 -2.72 116.94 116.55 3hju h PHE 209 Ca -0.00 -0.61 0.13 0.00 3.53 0.00 0.00 57.97 61.02 3hju h PHE 209 Cb 0.51 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.07 3hju h PHE 209 CO 0.00 1.44 0.61 0.78 -2.23 0.00 0.00 178.31 178.92 3hju h GLY 210 N 0.38 1.63 1.06 2.40 0.00 -0.48 0.15 103.07 108.20 3hju h GLY 210 Ca -0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 3hju h GLY 210 CO 0.22 0.13 0.20 -2.22 0.00 0.00 0.00 176.54 174.87 3hju h ILE 211 N 0.95 1.26 -0.63 2.60 2.04 -1.12 -1.13 117.51 121.49 3hju h ILE 211 Ca 0.50 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3hju h ILE 211 Cb 0.53 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3hju h ILE 211 CO -0.28 0.36 0.23 1.56 0.00 0.00 0.00 178.15 180.02 3hju h GLN 212 N 1.07 0.93 0.00 2.37 1.08 -0.89 -0.11 115.11 119.56 3hju h GLN 212 Ca 0.23 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 3hju h GLN 212 Cb 0.34 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3hju h GLN 212 CO -0.00 0.78 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.27 3hju h LEU 213 N 0.91 0.00 -0.24 1.46 3.38 -0.40 -1.04 115.31 119.39 3hju h LEU 213 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 3hju h LEU 213 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hju h LEU 213 CO -0.01 0.32 -0.80 -0.07 0.09 0.00 0.00 178.44 177.97 3hju h LEU 214 N 0.00 0.73 -1.04 1.67 3.38 -0.67 -2.41 115.31 116.97 3hju h LEU 214 Ca -0.00 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.51 3hju h LEU 214 Cb 0.63 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3hju h LEU 214 CO 0.04 1.27 0.64 0.78 0.09 0.00 0.00 178.44 181.27 3hju h ASN 215 N 0.40 1.07 -0.19 -0.43 2.35 -0.67 -2.23 115.58 115.88 3hju h ASN 215 Ca -0.05 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hju h ASN 215 Cb 1.41 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 3hju h ASN 215 CO 0.15 0.73 0.12 0.00 -1.65 0.00 0.00 177.43 176.78 3hju h ALA 216 N 1.43 0.25 -0.60 -0.83 0.00 -0.98 0.11 119.26 118.64 3hju h ALA 216 Ca 0.39 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3hju h ALA 216 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hju h ALA 216 CO -0.12 -0.25 -0.03 0.28 0.00 0.00 0.00 179.25 179.14 3hju h VAL 217 N 0.23 1.27 -0.38 0.00 2.07 -1.37 0.25 116.25 118.32 3hju h VAL 217 Ca 0.07 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 3hju h VAL 217 Cb 0.03 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3hju h VAL 217 CO -0.01 0.43 -0.29 -1.28 0.02 0.00 0.00 177.57 176.44 3hju h SER 218 N 0.97 0.91 -0.37 0.57 0.87 -1.25 -1.90 113.55 113.35 3hju h SER 218 Ca 0.17 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.22 3hju h SER 218 Cb 0.59 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3hju h SER 218 CO 0.04 1.16 -0.00 0.03 -0.53 0.00 0.00 176.83 177.52 3hju h ARG 219 N 0.68 0.75 -0.42 2.24 3.08 -0.45 -2.19 114.38 118.07 3hju h ARG 219 Ca 0.07 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3hju h ARG 219 Cb 0.86 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3hju h ARG 219 CO 0.08 0.76 0.15 0.28 -1.07 0.00 0.00 179.97 180.17 3hju h VAL 220 N 0.70 1.21 -0.67 2.04 2.07 -0.41 -0.55 116.25 120.65 3hju h VAL 220 Ca 0.14 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3hju h VAL 220 Cb 0.43 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3hju h VAL 220 CO 0.02 0.24 0.42 -0.08 0.02 0.00 0.00 177.57 178.18 3hju h GLU 221 N 0.53 0.79 0.00 1.57 4.81 -1.22 -1.35 114.58 119.71 3hju h GLU 221 Ca 0.14 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3hju h GLU 221 Cb 0.22 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3hju h GLU 221 CO -0.01 0.52 -0.13 0.00 -0.73 0.00 0.00 179.01 178.66 3hju h ARG 222 N 0.82 0.00 0.00 1.92 3.08 -1.01 -3.12 114.38 116.06 3hju h ARG 222 Ca 0.27 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 3hju h ARG 222 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3hju h ARG 222 CO -0.10 0.13 -0.52 0.00 -1.07 0.00 0.00 179.97 178.41 3hju h ALA 223 N 1.87 0.71 -0.65 0.04 0.00 -0.00 -3.38 119.26 117.85 3hju h ALA 223 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3hju h ALA 223 Cb 0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3hju h ALA 223 CO 0.02 0.55 0.29 -0.07 0.00 0.00 0.00 179.25 180.03 3hju h LEU 224 N 0.00 0.84 -1.95 0.00 3.38 -1.34 0.17 115.31 116.42 3hju h LEU 224 Ca -0.02 -0.10 0.28 0.00 0.09 0.00 0.00 57.88 58.13 3hju h LEU 224 Cb 1.34 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3hju h LEU 224 CO 0.05 0.73 0.74 -0.65 0.09 0.00 0.00 178.44 179.41 3hju h PRO 225 N 0.92 0.00 -0.14 1.13 0.11 -1.75 -1.86 132.00 130.41 3hju h PRO 225 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hju h PRO 225 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3hju h PRO 225 CO -0.03 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.12 3hju n LYS 226 N -4.08 1.66 -2.58 1.05 2.85 0.55 -4.62 118.16 112.98 3hju n LYS 226 Ca 0.20 -1.49 -0.43 0.00 -1.05 0.00 0.00 58.31 55.55 3hju n LYS 226 Cb 1.07 -1.17 -0.02 0.00 -0.65 0.00 0.00 35.03 34.25 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 -0.85 4.07 0.00 -5.58 2.96 -0.71 -4.85 118.68 113.73 3hju s LEU 227 Ca 0.13 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 3hju s LEU 227 Cb 0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.23 3hju s LEU 227 CO 0.11 -0.76 0.65 0.35 -1.32 0.00 0.00 176.35 175.38 3hju n THR 228 N 5.49 0.40 -2.12 3.68 -2.24 -1.26 -2.01 114.28 116.23 3hju n THR 228 Ca 0.13 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 3hju n THR 228 Cb 0.46 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.40 2.75 0.33 2.28 0.11 -1.26 -4.38 120.40 119.82 3hju s VAL 229 Ca 0.00 0.70 -0.29 0.00 -2.93 0.00 0.00 61.98 59.46 3hju s VAL 229 Cb 0.00 -3.43 -0.11 0.00 -1.53 0.00 0.00 36.38 31.32 3hju s VAL 229 CO 0.00 0.13 1.50 -2.84 -3.33 0.00 0.00 175.10 170.56 3hju s PRO 230 N -2.04 4.15 0.04 1.54 0.02 -1.26 -4.69 135.00 132.77 3hju s PRO 230 Ca 0.53 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.96 3hju s PRO 230 Cb -0.38 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.14 3hju s PRO 230 CO 0.49 -0.52 0.22 -0.59 -0.33 0.00 0.00 177.00 176.27 3hju s PHE 231 N -0.62 0.02 -0.10 6.54 -0.71 -0.18 -0.44 117.98 122.48 3hju s PHE 231 Ca 0.57 -0.23 0.03 0.00 -1.04 0.00 0.00 56.93 56.26 3hju s PHE 231 Cb -0.46 0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 3hju s PHE 231 CO 0.55 -0.45 -0.20 -1.17 -1.34 0.00 0.00 175.22 172.60 3hju s LEU 232 N -2.11 2.31 -0.18 -1.99 2.96 0.03 -1.59 118.68 118.10 3hju s LEU 232 Ca -0.05 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3hju s LEU 232 Cb -0.01 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.24 3hju s LEU 232 CO -0.04 0.18 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.83 3hju s LEU 233 N 0.22 2.08 -0.20 -0.68 2.96 0.27 0.07 118.68 123.40 3hju s LEU 233 Ca -0.13 -0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 52.99 3hju s LEU 233 Cb -0.16 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 3hju s LEU 233 CO 0.07 -0.10 0.02 -0.76 -1.32 0.00 0.00 176.35 174.25 3hju s LEU 234 N 1.42 3.37 -0.09 -0.68 1.43 0.50 -0.20 118.68 124.43 3hju s LEU 234 Ca 0.01 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3hju s LEU 234 Cb -0.15 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3hju s LEU 234 CO -0.09 0.07 0.23 -1.58 0.23 0.00 0.00 176.35 175.21 3hju s GLN 235 N 0.94 0.25 0.06 1.70 2.00 -0.47 -0.02 119.66 124.13 3hju s GLN 235 Ca 0.02 0.36 -0.15 0.00 -2.00 0.00 0.00 55.36 53.59 3hju s GLN 235 Cb -0.14 0.08 -0.06 0.00 0.80 0.00 0.00 33.01 33.68 3hju s GLN 235 CO 0.02 -0.06 0.48 0.20 -0.50 0.00 0.00 175.29 175.43 3hju s GLY 236 N 0.36 2.50 0.43 2.59 0.00 -1.26 -0.09 107.32 111.85 3hju s GLY 236 Ca -0.02 -0.16 0.24 0.00 0.00 0.00 0.00 44.72 44.78 3hju s GLY 236 CO -0.02 0.17 1.75 1.48 0.00 0.00 0.00 173.10 176.49 3hju h SER 237 N 4.23 0.00 -0.78 1.64 4.64 -0.98 -3.17 113.55 119.13 3hju h SER 237 Ca -0.50 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.28 3hju h SER 237 Cb 1.21 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.97 3hju h SER 237 CO 0.64 0.19 -0.06 0.00 -0.87 0.00 0.00 176.83 176.73 3hju n ALA 238 N -2.18 5.40 -2.51 5.18 0.00 -0.34 -4.79 120.51 121.28 3hju n ALA 238 Ca 0.01 -3.55 -0.43 0.00 0.00 0.00 0.00 53.44 49.47 3hju n ALA 238 Cb 0.48 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.74 6.86 0.00 0.00 -1.08 -1.20 -4.46 116.67 114.05 3hju s ASP 239 Ca 0.55 1.32 0.27 0.00 -0.52 0.00 0.00 52.55 54.18 3hju s ASP 239 Cb 0.45 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 40.34 3hju s ASP 239 CO 0.02 -0.89 1.73 0.54 0.52 0.00 0.00 175.17 177.09 3hju n ARG 240 N 6.89 0.11 -0.13 4.34 1.74 -1.26 -4.14 116.66 124.21 3hju n ARG 240 Ca 0.13 -0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.93 3hju n ARG 240 Cb 0.46 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.42 2.34 -4.02 0.55 4.77 -1.26 -4.78 117.00 113.18 3hju n LEU 241 Ca 0.08 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.92 3hju n LEU 241 Cb 0.33 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.38 3hju n LEU 241 CO 0.29 0.69 -0.45 0.00 -1.33 0.00 0.00 177.39 176.59 3hju s ASP 243 N 1.26 6.66 0.60 0.00 2.15 -1.26 -4.64 116.67 121.44 3hju s ASP 243 Ca -0.06 2.70 0.29 0.00 0.43 0.00 0.00 52.55 55.91 3hju s ASP 243 Cb -0.19 -2.63 1.68 0.00 -0.30 0.00 0.00 42.92 41.48 3hju s ASP 243 CO -0.06 -0.68 2.09 0.77 -0.17 0.00 0.00 175.17 177.12 3hju h SER 244 N 4.54 0.00 -0.88 -0.34 4.64 -1.79 0.17 113.55 119.89 3hju h SER 244 Ca -0.47 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.96 3hju h SER 244 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.24 3hju h SER 244 CO 0.74 0.00 0.57 0.50 -0.87 0.00 0.00 176.83 177.77 3hju h LYS 245 N 0.00 0.79 -0.56 4.77 3.64 -1.95 0.95 116.57 124.21 3hju h LYS 245 Ca 0.09 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hju h LYS 245 Cb 0.52 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3hju h LYS 245 CO -0.00 0.52 0.37 0.78 -2.27 0.00 0.00 179.45 178.85 3hju h GLY 246 N 0.81 0.75 1.28 5.01 0.00 -1.01 -2.07 103.07 107.85 3hju h GLY 246 Ca 0.42 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 3hju h GLY 246 CO -0.18 0.25 -0.36 0.00 0.00 0.00 0.00 176.54 176.24 3hju h ALA 247 N 1.67 0.72 -0.18 3.60 0.00 -0.90 -2.32 119.26 121.84 3hju h ALA 247 Ca 0.22 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3hju h ALA 247 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hju h ALA 247 CO -0.05 0.66 -0.45 1.88 0.00 0.00 0.00 179.25 181.29 3hju h TYR 248 N 0.66 0.55 -0.79 0.00 -1.99 -1.33 -2.32 116.97 111.75 3hju h TYR 248 Ca 0.06 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 3hju h TYR 248 Cb 0.91 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.49 3hju h TYR 248 CO 0.05 0.83 0.35 -0.07 -0.00 0.00 0.00 178.16 179.31 3hju h LEU 249 N 0.37 1.06 -0.40 3.88 3.38 -1.22 -1.36 115.31 121.02 3hju h LEU 249 Ca 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3hju h LEU 249 Cb 0.93 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hju h LEU 249 CO 0.08 0.92 0.08 0.25 0.09 0.00 0.00 178.44 179.86 3hju h LEU 250 N 1.14 0.63 -1.06 1.67 5.85 -1.31 0.70 115.31 122.93 3hju h LEU 250 Ca 0.27 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hju h LEU 250 Cb 0.17 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3hju h LEU 250 CO -0.03 0.71 0.64 0.24 -0.34 0.00 0.00 178.44 179.66 3hju h MET 251 N 0.51 1.22 0.20 1.25 2.86 -1.17 -2.06 114.93 117.74 3hju h MET 251 Ca 0.12 -0.07 -0.32 0.00 -2.06 0.00 0.00 59.70 57.38 3hju h MET 251 Cb 0.34 -0.28 0.03 0.00 0.06 0.00 0.00 31.60 31.76 3hju h MET 251 CO 0.00 0.81 -1.38 1.49 1.06 0.00 0.00 176.91 178.90 3hju h GLU 252 N 1.26 0.51 0.00 1.72 4.81 -0.81 -3.36 114.58 118.70 3hju h GLU 252 Ca 0.37 -0.81 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3hju h GLU 252 Cb -0.07 0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3hju h GLU 252 CO -0.10 1.38 -1.22 1.28 -0.73 0.00 0.00 179.01 179.62 3hju n LEU 253 N -3.70 0.55 -4.77 1.64 4.77 0.20 -4.88 117.00 110.82 3hju n LEU 253 Ca -0.14 0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.48 3hju n LEU 253 Cb 1.06 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 42.08 3hju n LEU 253 CO 0.59 -0.00 0.91 0.00 -1.33 0.00 0.00 177.39 177.56 3hju s ALA 254 N -3.29 3.17 -1.66 -1.18 0.00 -0.78 -4.06 121.76 113.96 3hju s ALA 254 Ca 0.01 1.13 0.27 0.00 0.00 0.00 0.00 51.96 53.37 3hju s ALA 254 Cb 0.13 -3.45 0.95 0.00 0.00 0.00 0.00 23.12 20.75 3hju s ALA 254 CO 0.82 -0.76 1.69 1.63 0.00 0.00 0.00 175.76 179.14 3hju n LYS 255 N -0.03 0.72 -1.54 0.00 4.76 -0.98 -4.92 118.16 116.17 3hju n LYS 255 Ca 0.05 -0.35 -0.49 0.00 -2.87 0.00 0.00 58.31 54.64 3hju n LYS 255 Cb 0.45 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.83 0.77 0.19 4.39 7.64 -0.85 -4.84 113.62 120.09 3hju n SER 256 Ca 0.13 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.29 3hju n SER 256 Cb 0.32 -1.15 0.36 0.00 -1.01 0.00 0.00 64.21 62.72 3hju n SER 256 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3hju h GLN 257 N 2.77 0.00 -3.14 1.43 5.75 -1.88 -3.41 115.11 116.64 3hju h GLN 257 Ca -0.41 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.49 3hju h GLN 257 Cb 1.37 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.52 3hju h GLN 257 CO 0.66 0.00 -0.75 0.34 -2.65 0.00 0.00 178.83 176.43 3hju s ASP 258 N -5.50 3.71 -0.01 -0.69 2.15 -1.26 -5.08 116.67 109.98 3hju s ASP 258 Ca 0.07 -2.29 0.00 0.00 0.43 0.00 0.00 52.55 50.75 3hju s ASP 258 Cb 0.08 -0.93 0.01 0.00 -0.30 0.00 0.00 42.92 41.78 3hju s ASP 258 CO 0.60 -0.32 0.00 -1.59 -0.17 0.00 0.00 175.17 173.70 3hju s LYS 259 N 0.79 0.06 -0.02 4.34 -2.85 -1.26 -1.01 119.74 119.80 3hju s LYS 259 Ca 0.15 0.04 0.01 0.00 -1.00 0.00 0.00 55.97 55.17 3hju s LYS 259 Cb -0.22 -0.16 0.01 0.00 -2.06 0.00 0.00 37.83 35.40 3hju s LYS 259 CO -0.07 -0.05 -0.02 0.99 0.10 0.00 0.00 175.35 176.30 3hju s THR 260 N 0.40 0.28 -0.05 3.79 2.01 -0.62 -5.01 115.64 116.44 3hju s THR 260 Ca -0.03 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 61.97 3hju s THR 260 Cb -0.05 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 3hju s THR 260 CO -0.01 0.13 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.59 3hju s LEU 261 N 0.52 2.05 -0.12 4.42 2.96 -1.26 -0.56 118.68 126.68 3hju s LEU 261 Ca -0.05 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 3hju s LEU 261 Cb -0.09 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.32 3hju s LEU 261 CO -0.01 0.23 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.40 3hju s LYS 262 N -0.16 1.85 -0.19 1.98 2.20 0.72 -4.98 119.74 121.17 3hju s LYS 262 Ca -0.03 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.11 3hju s LYS 262 Cb -0.13 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 3hju s LYS 262 CO 0.03 -0.23 0.09 0.42 -0.36 0.00 0.00 175.35 175.31 3hju s ILE 263 N 1.53 5.09 -0.34 5.43 -1.09 -1.26 -1.37 121.20 129.19 3hju s ILE 263 Ca 0.03 0.07 -0.09 0.00 -2.23 0.00 0.00 60.65 58.43 3hju s ILE 263 Cb -0.13 -3.30 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 3hju s ILE 263 CO -0.08 0.46 0.16 -0.31 -1.23 0.00 0.00 174.94 173.94 3hju s TYR 264 N 0.32 3.22 0.02 3.97 1.51 0.87 -4.96 117.35 122.30 3hju s TYR 264 Ca 0.06 -0.94 -0.30 0.00 -1.01 0.00 0.00 57.07 54.87 3hju s TYR 264 Cb -0.12 -2.37 -0.06 0.00 -0.11 0.00 0.00 41.96 39.31 3hju s TYR 264 CO -0.01 -0.60 1.38 -2.00 -1.11 0.00 0.00 175.55 173.21 3hju s GLU 265 N 1.54 4.30 0.00 -0.62 2.56 -1.26 -0.85 118.70 124.37 3hju s GLU 265 Ca 0.02 1.96 0.00 0.00 0.00 0.00 0.00 54.97 56.96 3hju s GLU 265 Cb -0.18 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 32.44 3hju s GLU 265 CO 0.05 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.64 3hju n GLY 266 N 3.59 2.45 3.78 -1.50 0.00 -1.26 -4.88 105.19 107.37 3hju n GLY 266 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.76 3.02 0.80 4.61 0.00 -1.00 -4.46 121.76 121.98 3hju s ALA 267 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3hju s ALA 267 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3hju s ALA 267 CO 0.00 -0.36 0.00 0.66 0.00 0.00 0.00 175.76 176.06 3hju n TYR 268 N -0.34 0.00 -0.06 0.00 4.01 -1.26 -1.19 117.16 118.31 3hju n TYR 268 Ca 0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.67 3hju n TYR 268 Cb 0.50 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.00 -2.08 -0.72 2.76 -1.58 -3.39 115.15 110.14 3hju h HIS 269 Ca 0.00 -0.00 -0.74 0.00 -2.20 0.00 0.00 60.37 57.43 3hju h HIS 269 Cb 0.00 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 28.78 3hju h HIS 269 CO 0.00 0.91 1.44 0.28 -1.30 0.00 0.00 177.93 179.26 3hju n VAL 270 N -4.65 4.28 -0.05 5.26 0.31 -0.20 -4.68 118.33 118.60 3hju n VAL 270 Ca -0.10 -4.70 0.02 0.00 -0.01 0.00 0.00 64.34 59.56 3hju n VAL 270 Cb 0.44 -2.45 0.36 0.00 -0.91 0.00 0.00 33.84 31.27 3hju n VAL 270 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hju h LEU 271 N 9.37 0.57 0.00 7.52 3.38 -1.87 0.24 115.31 134.53 3hju h LEU 271 Ca 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hju h LEU 271 Cb 0.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hju h LEU 271 CO 1.30 0.45 0.00 0.00 0.09 0.00 0.00 178.44 180.28 3hju n HIS 272 N -4.43 0.00 -2.51 1.13 1.44 -1.26 -3.03 115.22 106.56 3hju n HIS 272 Ca 0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.63 3hju n HIS 272 Cb 0.09 -0.29 0.03 0.00 0.12 0.00 0.00 29.99 29.94 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 -1.29 2.43 -0.07 -1.40 5.02 0.03 -4.91 118.16 117.97 3hju n LYS 273 Ca 0.10 -3.80 0.00 0.00 -2.02 0.00 0.00 58.31 52.59 3hju n LYS 273 Cb 0.16 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 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 -0.53 3.00 -1.81 1.97 4.07 -0.97 -4.62 120.64 121.76 3hju n GLU 274 Ca 0.23 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.94 3hju n GLU 274 Cb 0.84 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 32.25 3hju n GLU 274 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3hju s LEU 275 N 0.00 3.88 0.29 4.31 1.43 -1.26 -4.52 118.68 122.81 3hju s LEU 275 Ca 0.00 2.75 0.03 0.00 -1.03 0.00 0.00 54.13 55.89 3hju s LEU 275 Cb 0.00 -4.24 0.63 0.00 0.03 0.00 0.00 46.19 42.61 3hju s LEU 275 CO 0.00 -1.51 1.81 -0.65 0.23 0.00 0.00 176.35 176.23 3hju h PRO 276 N 1.56 0.87 -0.21 1.29 0.11 -1.98 0.50 132.00 134.15 3hju h PRO 276 Ca -0.51 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 3hju h PRO 276 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3hju h PRO 276 CO 0.58 0.58 -0.18 1.05 -0.21 0.00 0.00 178.00 179.81 3hju h GLU 277 N 0.90 0.36 0.07 1.05 9.09 -2.00 0.16 114.58 124.21 3hju h GLU 277 Ca 0.53 -0.11 -0.00 0.00 0.05 0.00 0.00 59.36 59.83 3hju h GLU 277 Cb 0.66 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3hju h GLU 277 CO -0.31 0.54 -0.03 0.28 0.05 0.00 0.00 179.01 179.53 3hju h VAL 278 N 0.33 1.23 -0.96 -1.06 2.07 -1.29 -3.01 116.25 113.56 3hju h VAL 278 Ca 0.06 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.47 3hju h VAL 278 Cb 0.52 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 3hju h VAL 278 CO 0.03 0.28 0.62 0.74 0.02 0.00 0.00 177.57 179.27 3hju h THR 279 N -0.64 1.06 -0.45 2.57 2.02 -1.20 0.05 112.91 116.32 3hju h THR 279 Ca -0.01 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 3hju h THR 279 Cb 0.54 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3hju h THR 279 CO 0.02 0.20 0.05 0.78 0.37 0.00 0.00 175.52 176.94 3hju h ASN 280 N 1.10 0.73 -0.76 4.18 -0.26 -1.04 -2.26 115.58 117.27 3hju h ASN 280 Ca 0.42 -0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 3hju h ASN 280 Cb 0.22 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 3hju h ASN 280 CO -0.17 0.82 0.42 -1.28 -1.06 0.00 0.00 177.43 176.16 3hju h SER 281 N 0.61 0.95 -0.07 5.81 0.87 -1.31 -1.78 113.55 118.63 3hju h SER 281 Ca 0.13 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3hju h SER 281 Cb 0.42 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3hju h SER 281 CO 0.01 0.78 -0.10 0.58 -0.53 0.00 0.00 176.83 177.57 3hju h VAL 282 N 1.06 0.73 -0.56 2.23 2.07 -0.83 0.88 116.25 121.82 3hju h VAL 282 Ca 0.27 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 3hju h VAL 282 Cb 0.04 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3hju h VAL 282 CO -0.04 0.00 0.34 -0.26 0.02 0.00 0.00 177.57 177.62 3hju h PHE 283 N -0.14 0.63 -0.38 1.57 0.04 -1.31 -2.01 116.94 115.35 3hju h PHE 283 Ca 0.06 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 3hju h PHE 283 Cb 0.22 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3hju h PHE 283 CO -0.20 0.35 -0.14 1.25 -0.60 0.00 0.00 178.31 178.97 3hju h HIS 284 N 0.66 0.87 -0.75 -0.55 2.76 -0.87 -0.68 115.15 116.58 3hju h HIS 284 Ca 0.23 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 3hju h HIS 284 Cb 0.04 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 3hju h HIS 284 CO -0.06 0.93 0.31 0.93 -1.30 0.00 0.00 177.93 178.73 3hju h GLU 285 N 0.56 1.10 -0.52 5.26 4.39 -0.72 -1.06 114.58 123.60 3hju h GLU 285 Ca 0.09 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3hju h GLU 285 Cb 0.68 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3hju h GLU 285 CO 0.05 0.89 -0.14 0.82 -1.16 0.00 0.00 179.01 179.47 3hju h ILE 286 N 1.08 1.27 0.10 3.13 2.04 -1.17 -2.01 117.51 121.94 3hju h ILE 286 Ca 0.25 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.84 3hju h ILE 286 Cb 0.19 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3hju h ILE 286 CO -0.02 0.45 -0.32 -1.13 0.00 0.00 0.00 178.15 177.13 3hju h ASN 287 N 0.87 -0.93 -0.56 1.72 -0.73 -0.76 -1.63 115.58 113.55 3hju h ASN 287 Ca 0.13 0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 3hju h ASN 287 Cb 0.71 0.36 -0.03 0.00 0.27 0.00 0.00 38.32 39.63 3hju h ASN 287 CO 0.05 -0.40 0.27 0.24 -0.37 0.00 0.00 177.43 177.22 3hju h MET 288 N -0.53 0.82 -0.20 6.67 2.86 -1.19 -2.05 114.93 121.31 3hju h MET 288 Ca 0.04 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3hju h MET 288 Cb 0.57 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3hju h MET 288 CO -0.20 0.67 0.07 2.35 1.06 0.00 0.00 176.91 180.86 3hju h TRP 289 N 0.77 0.31 -0.37 -0.22 7.01 -1.18 -0.13 115.95 122.13 3hju h TRP 289 Ca 0.19 -0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.00 3hju h TRP 289 Cb 0.13 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 3hju h TRP 289 CO -0.00 0.38 -0.41 0.28 -2.79 0.00 0.00 178.44 175.90 3hju h VAL 290 N 0.15 1.27 -0.60 2.65 2.07 -1.33 -2.95 116.25 117.52 3hju h VAL 290 Ca 0.06 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3hju h VAL 290 Cb 0.21 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3hju h VAL 290 CO -0.00 0.53 0.32 -1.28 0.02 0.00 0.00 177.57 177.15 3hju h SER 291 N 0.75 0.46 1.00 0.57 0.87 -1.26 -0.42 113.55 115.53 3hju h SER 291 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3hju h SER 291 Cb 1.01 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3hju h SER 291 CO 0.10 0.31 0.00 1.56 -0.53 0.00 0.00 176.83 178.27 3hju h GLN 292 N 0.60 0.00 -0.26 2.24 4.20 -0.86 -2.39 115.11 118.64 3hju h GLN 292 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3hju h GLN 292 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3hju h GLN 292 CO -0.17 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.53 3hju n ARG 293 N -2.97 2.12 0.00 1.46 1.74 -0.66 -3.40 116.66 114.95 3hju n ARG 293 Ca 0.01 -1.97 0.01 0.00 -0.77 0.00 0.00 57.85 55.13 3hju n ARG 293 Cb 0.30 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.15 0.00 -0.10 0.55 -1.04 -0.26 -4.21 114.28 110.37 3hju n THR 294 Ca 0.15 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.44 3hju n THR 294 Cb 0.51 1.06 -0.11 0.00 -1.82 0.00 0.00 70.33 69.97 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 0.58 0.26 0.00 2.41 0.00 -1.56 -3.49 119.26 117.46 3hju h ALA 295 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3hju h ALA 295 Cb 0.12 0.74 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hju h ALA 295 CO 0.00 0.70 0.00 -2.37 0.00 0.00 0.00 179.25 177.58