#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t68 s ASP 1 N 0.00 5.74 0.65 6.12 1.01 -1.26 -3.74 116.67 125.19 1t68 s ASP 1 Ca 0.00 1.39 -0.18 0.00 0.71 0.00 0.00 52.55 54.48 1t68 s ASP 1 Cb 0.00 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1t68 s ASP 1 CO 0.00 -1.18 1.22 0.00 0.21 0.00 0.00 175.17 175.42 1t68 s SER 3 N -1.39 6.48 0.00 0.00 0.15 -1.26 -4.92 113.70 112.75 1t68 s SER 3 Ca 0.81 2.93 0.21 0.00 0.70 0.00 0.00 55.95 60.60 1t68 s SER 3 Cb -0.38 -2.66 0.82 0.00 -1.71 0.00 0.00 66.02 62.08 1t68 s SER 3 CO 0.42 -0.77 1.58 0.35 1.20 0.00 0.00 173.24 176.02 1t68 n THR 4 N 0.67 0.17 -1.61 6.45 -2.24 -1.26 -4.32 114.28 112.15 1t68 n THR 4 Ca 0.01 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1t68 n THR 4 Cb 0.40 0.30 0.17 0.00 -2.10 0.00 0.00 70.33 69.10 1t68 n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1t68 n ASN 5 N 0.18 2.70 -4.75 3.42 3.02 -1.26 -5.00 115.26 113.56 1t68 n ASN 5 Ca 0.16 -3.84 -0.36 0.00 -0.03 0.00 0.00 54.58 50.51 1t68 n ASN 5 Cb 0.30 -0.56 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1t68 n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1t68 s ILE 6 N -3.52 5.34 0.03 2.41 -1.09 -1.26 -5.08 121.20 118.03 1t68 s ILE 6 Ca 0.44 0.43 0.02 0.00 -2.23 0.00 0.00 60.65 59.31 1t68 s ILE 6 Cb 0.40 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1t68 s ILE 6 CO -0.03 0.44 -0.08 -0.94 -1.23 0.00 0.00 174.94 173.10 1t68 s SER 7 N 0.20 0.90 0.68 3.58 1.04 -1.26 -5.12 113.70 113.73 1t68 s SER 7 Ca 0.14 -0.46 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1t68 s SER 7 Cb -0.12 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1t68 s SER 7 CO 0.03 -0.13 1.07 -2.16 0.98 0.00 0.00 173.24 173.02 1t68 s PRO 8 N -1.28 2.89 0.22 4.02 0.04 -1.26 -4.85 135.00 134.78 1t68 s PRO 8 Ca -0.07 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1t68 s PRO 8 Cb -0.08 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1t68 s PRO 8 CO 0.00 -1.14 1.26 0.21 0.04 0.00 0.00 177.00 177.37 1t68 s LYS 9 N -4.73 4.43 0.50 4.56 2.20 -0.87 -4.88 119.74 120.96 1t68 s LYS 9 Ca 0.60 2.01 -0.18 0.00 -0.36 0.00 0.00 55.97 58.05 1t68 s LYS 9 Cb -0.15 -3.19 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 1t68 s LYS 9 CO 0.50 -0.15 0.99 -0.65 -0.36 0.00 0.00 175.35 175.68 1t68 s GLN 10 N -0.54 3.92 0.00 4.03 -1.52 -1.26 -3.90 119.66 120.39 1t68 s GLN 10 Ca 0.53 1.05 0.00 0.00 -1.95 0.00 0.00 55.36 54.99 1t68 s GLN 10 Cb -0.36 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 1t68 s GLN 10 CO 0.40 -0.30 0.00 0.41 -0.25 0.00 0.00 175.29 175.55 1t68 n GLY 11 N -1.22 0.58 3.75 3.09 0.00 -1.26 -4.94 105.19 105.19 1t68 n GLY 11 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1t68 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t68 s LEU 12 N 0.00 4.36 -0.37 0.99 1.43 -1.25 -4.91 118.68 118.93 1t68 s LEU 12 Ca 0.00 2.82 -0.27 0.00 -1.03 0.00 0.00 54.13 55.65 1t68 s LEU 12 Cb 0.00 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.60 1t68 s LEU 12 CO 0.00 -0.80 0.99 -0.62 0.23 0.00 0.00 176.35 176.16 1t68 s ASP 13 N 0.33 6.73 0.49 2.29 3.68 -1.26 -4.87 116.67 124.06 1t68 s ASP 13 Ca 0.60 0.68 0.28 0.00 2.13 0.00 0.00 52.55 56.23 1t68 s ASP 13 Cb -0.45 -2.50 1.20 0.00 -1.45 0.00 0.00 42.92 39.73 1t68 s ASP 13 CO 0.47 -0.92 1.94 0.07 0.13 0.00 0.00 175.17 176.86 1t68 h LYS 14 N 8.49 0.00 -0.76 4.34 2.10 -1.99 -2.35 116.57 126.40 1t68 h LYS 14 Ca -0.22 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.46 1t68 h LYS 14 Cb 1.07 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.36 1t68 h LYS 14 CO 1.02 0.14 0.50 0.00 -2.00 0.00 0.00 179.45 179.11 1t68 h ALA 15 N 1.86 1.55 0.00 0.07 0.00 -1.92 -0.18 119.26 120.63 1t68 h ALA 15 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1t68 h ALA 15 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1t68 h ALA 15 CO 0.02 0.38 -0.21 0.87 0.00 0.00 0.00 179.25 180.30 1t68 h LYS 16 N 0.93 0.00 0.07 0.00 1.79 -1.76 -3.33 116.57 114.27 1t68 h LYS 16 Ca 0.30 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.44 1t68 h LYS 16 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1t68 h LYS 16 CO -0.09 0.21 -1.83 0.98 -1.08 0.00 0.00 179.45 177.64 1t68 n TYR 17 N -3.30 1.00 -1.52 -1.35 9.36 -0.79 -4.40 117.16 116.17 1t68 n TYR 17 Ca 0.01 0.28 -0.28 0.00 3.32 0.00 0.00 57.90 61.23 1t68 n TYR 17 Cb 0.47 -1.12 -0.06 0.00 -0.63 0.00 0.00 39.34 38.00 1t68 n TYR 17 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1t68 n PHE 18 N -3.83 1.60 -4.10 2.98 3.72 -0.15 -4.82 117.46 112.85 1t68 n PHE 18 Ca -0.35 -2.09 -0.24 0.00 -0.05 0.00 0.00 57.45 54.72 1t68 n PHE 18 Cb 0.91 -1.54 -0.17 0.00 -0.94 0.00 0.00 39.48 37.75 1t68 n PHE 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1t68 s SER 19 N 0.65 1.67 0.91 4.37 0.15 -1.26 -4.72 113.70 115.47 1t68 s SER 19 Ca 0.60 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1t68 s SER 19 Cb 0.33 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1t68 s SER 19 CO -0.16 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1t68 n GLY 20 N 4.49 1.71 3.40 9.45 0.00 -1.26 -4.67 105.19 118.31 1t68 n GLY 20 Ca -0.17 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1t68 n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t68 s LYS 21 N 0.00 2.03 -0.01 1.61 -2.85 -1.26 -4.25 119.74 115.01 1t68 s LYS 21 Ca 0.00 -0.99 0.01 0.00 -1.00 0.00 0.00 55.97 53.99 1t68 s LYS 21 Cb 0.00 -2.12 -0.04 0.00 -2.06 0.00 0.00 37.83 33.61 1t68 s LYS 21 CO 0.00 0.54 0.02 -1.58 0.10 0.00 0.00 175.35 174.43 1t68 s TRP 22 N -0.82 3.13 -0.07 1.78 0.52 0.16 -4.34 118.94 119.30 1t68 s TRP 22 Ca 0.13 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.41 1t68 s TRP 22 Cb -0.10 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1t68 s TRP 22 CO 0.03 0.48 -0.18 0.71 0.02 0.00 0.00 176.95 178.01 1t68 s TYR 23 N -1.09 2.62 -0.40 -1.98 2.02 -0.14 -1.29 117.35 117.09 1t68 s TYR 23 Ca 0.20 -0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 1t68 s TYR 23 Cb -0.12 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1t68 s TYR 23 CO 0.10 -0.02 1.27 0.08 -1.57 0.00 0.00 175.55 175.41 1t68 s VAL 24 N -0.34 4.10 -0.11 0.71 1.01 -0.58 -1.15 120.40 124.05 1t68 s VAL 24 Ca 0.03 1.16 0.16 0.00 0.00 0.00 0.00 61.98 63.33 1t68 s VAL 24 Cb -0.12 -4.34 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 1t68 s VAL 24 CO 0.02 -0.76 0.87 0.71 0.00 0.00 0.00 175.10 175.94 1t68 h THR 25 N 6.22 0.61 -2.99 3.92 1.35 -1.34 -3.43 112.91 117.26 1t68 h THR 25 Ca -0.25 -2.16 -0.15 0.00 -0.55 0.00 0.00 66.41 63.30 1t68 h THR 25 Cb 1.09 2.15 -0.26 0.00 -1.73 0.00 0.00 68.15 69.39 1t68 h THR 25 CO 1.08 0.35 -0.38 -1.00 -0.25 0.00 0.00 175.52 175.33 1t68 s HIS 26 N -2.87 -0.35 0.05 4.73 3.76 -1.20 -1.30 115.29 118.11 1t68 s HIS 26 Ca -0.02 0.83 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1t68 s HIS 26 Cb 0.08 0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 1t68 s HIS 26 CO 0.81 -0.18 -0.08 -0.59 -0.85 0.00 0.00 174.74 173.85 1t68 s PHE 27 N 0.37 0.71 -0.14 1.40 -0.12 -0.55 -0.76 117.98 118.91 1t68 s PHE 27 Ca -0.02 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.26 1t68 s PHE 27 Cb -0.04 -0.42 0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1t68 s PHE 27 CO -0.02 -0.10 -0.01 -1.17 -0.05 0.00 0.00 175.22 173.88 1t68 s LEU 28 N -1.87 1.11 -0.27 -1.99 0.20 0.12 -0.59 118.68 115.38 1t68 s LEU 28 Ca -0.06 -0.49 -0.07 0.00 0.69 0.00 0.00 54.13 54.20 1t68 s LEU 28 Cb -0.07 -0.66 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 1t68 s LEU 28 CO -0.01 -0.22 0.08 -0.62 -0.29 0.00 0.00 176.35 175.30 1t68 s ASP 29 N 1.82 5.16 0.30 3.68 -1.08 -1.26 -0.98 116.67 124.31 1t68 s ASP 29 Ca 0.02 -0.42 0.24 0.00 -0.52 0.00 0.00 52.55 51.87 1t68 s ASP 29 Cb -0.15 -1.92 1.08 0.00 -1.46 0.00 0.00 42.92 40.48 1t68 s ASP 29 CO -0.07 -0.11 1.74 0.11 0.52 0.00 0.00 175.17 177.36 1t68 h LYS 30 N 8.25 0.00 -5.65 4.34 1.79 -1.74 -3.42 116.57 120.13 1t68 h LYS 30 Ca -0.35 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.48 1t68 h LYS 30 Cb 1.15 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.67 1t68 h LYS 30 CO 0.59 0.00 0.30 0.34 -1.08 0.00 0.00 179.45 179.60 1t68 s ASP 31 N -4.34 6.37 0.00 0.86 -1.08 -1.26 -4.92 116.67 112.31 1t68 s ASP 31 Ca 0.02 -0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.08 1t68 s ASP 31 Cb 0.09 -2.37 1.52 0.00 -1.46 0.00 0.00 42.92 40.70 1t68 s ASP 31 CO 0.37 -0.90 1.89 -0.81 0.52 0.00 0.00 175.17 176.23 1t68 n PRO 32 N 6.63 0.78 0.12 4.34 -0.04 -1.26 -3.27 135.00 142.29 1t68 n PRO 32 Ca 0.01 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1t68 n PRO 32 Cb 0.48 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.84 1t68 n PRO 32 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1t68 h GLN 33 N 0.00 0.00 -7.23 0.54 4.15 -1.97 -3.45 115.11 107.15 1t68 h GLN 33 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 1t68 h GLN 33 Cb 0.02 0.00 0.08 0.00 0.21 0.00 0.00 27.48 27.79 1t68 h GLN 33 CO 0.00 0.00 0.37 0.14 -1.93 0.00 0.00 178.83 177.41 1t68 s VAL 34 N -3.14 3.70 0.00 2.39 -7.23 -1.20 -4.98 120.40 109.94 1t68 s VAL 34 Ca 0.10 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 1t68 s VAL 34 Cb 0.11 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1t68 s VAL 34 CO 0.58 -0.54 0.00 0.35 -0.31 0.00 0.00 175.10 175.18 1t68 n THR 35 N -2.39 0.00 -2.44 5.32 -2.24 -1.26 -5.07 114.28 106.20 1t68 n THR 35 Ca 0.09 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1t68 n THR 35 Cb 0.53 -1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 1t68 n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t68 s ASP 36 N -4.75 7.14 -0.00 3.42 1.01 -1.26 -5.02 116.67 117.20 1t68 s ASP 36 Ca 0.00 2.29 0.01 0.00 0.71 0.00 0.00 52.55 55.56 1t68 s ASP 36 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1t68 s ASP 36 CO 0.00 -0.24 0.01 -1.10 0.21 0.00 0.00 175.17 174.06 1t68 s GLN 37 N -1.62 2.83 0.18 8.23 -0.21 -1.26 -5.02 119.66 122.79 1t68 s GLN 37 Ca 0.47 -0.59 0.09 0.00 0.02 0.00 0.00 55.36 55.35 1t68 s GLN 37 Cb -0.32 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 1t68 s GLN 37 CO 0.41 0.63 -0.20 0.71 -2.12 0.00 0.00 175.29 174.72 1t68 s TYR 38 N -1.10 1.97 0.04 0.91 1.51 -1.26 -0.87 117.35 118.56 1t68 s TYR 38 Ca 0.20 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1t68 s TYR 38 Cb -0.12 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1t68 s TYR 38 CO 0.11 0.39 0.07 0.00 -1.11 0.00 0.00 175.55 175.00 1t68 s SER 40 N -2.07 -0.01 0.00 0.00 0.15 -1.26 -0.46 113.70 110.05 1t68 s SER 40 Ca 0.26 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 1t68 s SER 40 Cb -0.12 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1t68 s SER 40 CO 0.18 -0.33 0.05 -0.55 1.20 0.00 0.00 173.24 173.79 1t68 s SER 41 N -1.20 0.09 0.16 5.45 0.15 -0.91 -1.52 113.70 115.92 1t68 s SER 41 Ca -0.13 -0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.11 1t68 s SER 41 Cb -0.07 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1t68 s SER 41 CO 0.02 -0.25 0.47 0.72 1.20 0.00 0.00 173.24 175.40 1t68 s PHE 42 N -1.05 -0.18 -0.31 3.44 -0.71 -0.41 -0.95 117.98 117.81 1t68 s PHE 42 Ca -0.11 -0.14 -0.01 0.00 -1.04 0.00 0.00 56.93 55.62 1t68 s PHE 42 Cb -0.07 0.34 0.10 0.00 -1.21 0.00 0.00 43.02 42.18 1t68 s PHE 42 CO 0.00 -0.82 0.11 0.99 -1.34 0.00 0.00 175.22 174.16 1t68 s THR 43 N -3.84 0.69 0.09 -4.49 2.01 -0.34 -0.67 115.64 109.10 1t68 s THR 43 Ca 0.06 -1.29 -0.11 0.00 0.31 0.00 0.00 61.69 60.66 1t68 s THR 43 Cb 0.00 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 1t68 s THR 43 CO -0.07 -0.69 0.43 -2.16 -0.69 0.00 0.00 174.62 171.43 1t68 s PRO 44 N 1.69 3.80 0.03 4.92 0.04 -1.26 -1.86 135.00 142.37 1t68 s PRO 44 Ca 0.10 0.24 0.01 0.00 0.04 0.00 0.00 61.00 61.39 1t68 s PRO 44 Cb -0.17 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1t68 s PRO 44 CO -0.27 0.55 -0.05 1.03 0.04 0.00 0.00 177.00 178.30 1t68 s ARG 45 N -1.88 0.44 0.00 4.56 3.00 0.09 -4.04 118.95 121.12 1t68 s ARG 45 Ca 0.33 -0.74 0.00 0.00 0.00 0.00 0.00 55.73 55.33 1t68 s ARG 45 Cb -0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 34.95 34.74 1t68 s ARG 45 CO 0.18 -0.01 -0.02 -2.00 0.00 0.00 0.00 175.30 173.45 1t68 s GLU 46 N -1.75 0.13 -0.16 3.54 -6.30 -1.26 -1.09 118.70 111.81 1t68 s GLU 46 Ca -0.11 -0.11 -0.05 0.00 -2.50 0.00 0.00 54.97 52.20 1t68 s GLU 46 Cb -0.08 -0.09 0.08 0.00 0.00 0.00 0.00 34.13 34.04 1t68 s GLU 46 CO -0.01 0.02 0.28 0.45 0.02 0.00 0.00 175.26 176.02 1t68 s SER 47 N -0.20 0.48 -1.48 -1.70 0.15 -0.03 -4.93 113.70 105.99 1t68 s SER 47 Ca -0.01 0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.96 1t68 s SER 47 Cb -0.02 0.74 0.06 0.00 -1.71 0.00 0.00 66.02 65.09 1t68 s SER 47 CO -0.00 -0.26 1.03 -0.67 1.20 0.00 0.00 173.24 174.54 1t68 n ASP 48 N 5.35 -5.09 0.00 5.45 2.03 -1.26 -0.98 116.55 122.05 1t68 n ASP 48 Ca -0.06 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1t68 n ASP 48 Cb 0.50 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 1t68 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t68 n GLY 49 N -1.77 1.09 3.62 0.27 0.00 -1.26 -5.03 105.19 102.10 1t68 n GLY 49 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1t68 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t68 s THR 50 N -3.28 4.68 -0.12 2.61 2.01 -0.15 -1.11 115.64 120.28 1t68 s THR 50 Ca 0.00 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1t68 s THR 50 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1t68 s THR 50 CO 0.00 0.47 0.05 -0.69 -0.69 0.00 0.00 174.62 173.76 1t68 s VAL 51 N 0.32 4.68 -0.04 3.82 1.01 0.65 -0.85 120.40 129.98 1t68 s VAL 51 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1t68 s VAL 51 Cb -0.13 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1t68 s VAL 51 CO 0.00 0.58 0.10 -0.75 0.00 0.00 0.00 175.10 175.03 1t68 s LYS 52 N -0.63 0.08 -0.02 2.72 2.20 -0.25 -1.28 119.74 122.56 1t68 s LYS 52 Ca 0.11 0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1t68 s LYS 52 Cb -0.12 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1t68 s LYS 52 CO 0.02 -0.09 0.09 -1.83 -0.36 0.00 0.00 175.35 173.18 1t68 s GLU 53 N 0.58 0.21 -0.20 4.03 -1.05 0.12 -0.73 118.70 121.66 1t68 s GLU 53 Ca -0.04 -0.06 -0.09 0.00 -0.15 0.00 0.00 54.97 54.62 1t68 s GLU 53 Cb -0.06 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.67 1t68 s GLU 53 CO -0.02 -0.04 0.10 0.00 0.95 0.00 0.00 175.26 176.25 1t68 s ALA 54 N -0.42 3.53 0.03 -0.84 0.00 -0.78 -0.96 121.76 122.33 1t68 s ALA 54 Ca -0.05 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1t68 s ALA 54 Cb -0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1t68 s ALA 54 CO 0.00 0.07 -0.21 -1.17 0.00 0.00 0.00 175.76 174.45 1t68 s LEU 55 N 0.56 2.15 -0.02 0.00 2.96 0.18 -1.19 118.68 123.32 1t68 s LEU 55 Ca 0.06 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1t68 s LEU 55 Cb -0.12 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1t68 s LEU 55 CO 0.00 0.18 -0.07 -0.47 -1.32 0.00 0.00 176.35 174.67 1t68 s TYR 56 N -0.75 0.71 0.00 5.38 5.04 -0.13 -1.01 117.35 126.59 1t68 s TYR 56 Ca 0.08 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1t68 s TYR 56 Cb -0.09 -0.50 -0.02 0.00 0.35 0.00 0.00 41.96 41.70 1t68 s TYR 56 CO 0.01 -0.06 -0.18 -1.01 -1.34 0.00 0.00 175.55 172.98 1t68 s HIS 57 N 0.08 1.58 -0.14 4.97 3.76 -0.51 -2.13 115.29 122.89 1t68 s HIS 57 Ca -0.01 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1t68 s HIS 57 Cb -0.06 -1.00 0.02 0.00 1.11 0.00 0.00 32.58 32.65 1t68 s HIS 57 CO -0.00 -0.00 -0.14 -0.47 -0.85 0.00 0.00 174.74 173.27 1t68 s TYR 58 N -0.51 2.14 -0.52 1.40 5.04 0.39 -1.43 117.35 123.86 1t68 s TYR 58 Ca 0.06 -1.18 -0.28 0.00 -2.44 0.00 0.00 57.07 53.24 1t68 s TYR 58 Cb -0.07 -1.57 0.03 0.00 0.35 0.00 0.00 41.96 40.70 1t68 s TYR 58 CO -0.00 -0.65 1.10 1.21 -1.34 0.00 0.00 175.55 175.87 1t68 s ASN 59 N 1.43 6.51 0.43 4.32 3.84 0.79 -0.81 114.94 131.44 1t68 s ASN 59 Ca 0.04 0.19 0.20 0.00 0.21 0.00 0.00 52.86 53.49 1t68 s ASN 59 Cb -0.13 -2.52 0.96 0.00 -0.55 0.00 0.00 41.25 39.01 1t68 s ASN 59 CO -0.10 -1.29 1.88 0.00 -2.79 0.00 0.00 177.10 174.81 1t68 h ALA 60 N 9.32 1.23 0.14 1.71 0.00 -1.29 0.54 119.26 130.90 1t68 h ALA 60 Ca -0.24 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1t68 h ALA 60 Cb 1.06 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1t68 h ALA 60 CO 1.13 0.35 -0.86 -0.91 0.00 0.00 0.00 179.25 178.95 1t68 h ASN 61 N 0.00 0.45 0.43 0.00 4.21 -1.91 -3.35 115.58 115.41 1t68 h ASN 61 Ca -0.00 -0.94 0.00 0.00 1.21 0.00 0.00 56.30 56.56 1t68 h ASN 61 Cb 0.62 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1t68 h ASN 61 CO 0.04 1.41 -0.60 0.29 -1.29 0.00 0.00 177.43 177.27 1t68 n LYS 62 N -4.11 0.02 -3.17 0.81 5.02 -1.21 -4.98 118.16 110.54 1t68 n LYS 62 Ca -0.15 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.94 1t68 n LYS 62 Cb 0.83 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 34.38 1t68 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1t68 n LYS 63 N -1.53 -5.54 -4.60 1.97 5.02 0.17 -5.01 118.16 108.63 1t68 n LYS 63 Ca 0.05 0.77 -0.27 0.00 -2.02 0.00 0.00 58.31 56.84 1t68 n LYS 63 Cb 0.34 -5.46 -0.10 0.00 -0.02 0.00 0.00 35.03 29.79 1t68 n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1t68 s THR 64 N -3.18 1.55 0.06 -0.18 -4.23 -1.15 -4.95 115.64 103.55 1t68 s THR 64 Ca 0.38 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1t68 s THR 64 Cb -0.17 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 1t68 s THR 64 CO 0.47 0.00 0.15 -0.94 -0.54 0.00 0.00 174.62 173.76 1t68 s SER 65 N -3.68 0.13 0.09 3.99 1.04 -1.26 -0.15 113.70 113.87 1t68 s SER 65 Ca 0.29 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 1t68 s SER 65 Cb 0.08 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1t68 s SER 65 CO 0.14 -0.62 0.31 0.72 0.98 0.00 0.00 173.24 174.77 1t68 s PHE 66 N -3.20 -0.06 0.01 5.02 -0.12 -0.51 -5.01 117.98 114.12 1t68 s PHE 66 Ca -0.00 -0.26 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1t68 s PHE 66 Cb 0.02 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1t68 s PHE 66 CO -0.07 -0.60 -0.16 0.71 -0.05 0.00 0.00 175.22 175.05 1t68 s TYR 67 N -3.55 1.38 0.10 3.49 1.51 -1.25 -1.42 117.35 117.61 1t68 s TYR 67 Ca 0.02 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1t68 s TYR 67 Cb 0.02 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1t68 s TYR 67 CO -0.10 0.01 -0.04 -0.80 -1.11 0.00 0.00 175.55 173.51 1t68 s ASN 68 N -0.69 1.01 -0.13 2.29 -0.87 -0.18 -1.30 114.94 115.07 1t68 s ASN 68 Ca 0.05 -1.04 0.00 0.00 -1.57 0.00 0.00 52.86 50.30 1t68 s ASN 68 Cb -0.07 0.12 0.02 0.00 -0.02 0.00 0.00 41.25 41.31 1t68 s ASN 68 CO 0.00 -0.51 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.27 1t68 s ILE 69 N -3.69 1.38 0.07 0.60 -1.09 -0.70 -0.64 121.20 117.11 1t68 s ILE 69 Ca 0.13 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 1t68 s ILE 69 Cb 0.06 -1.31 -0.04 0.00 -1.58 0.00 0.00 42.46 39.59 1t68 s ILE 69 CO -0.04 0.42 0.06 -0.83 -1.23 0.00 0.00 174.94 173.32 1t68 s GLY 70 N 1.41 1.99 -0.14 6.18 0.00 -0.13 -0.88 107.32 115.75 1t68 s GLY 70 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1t68 s GLY 70 CO -0.07 -0.98 0.36 1.85 0.00 0.00 0.00 173.10 174.26 1t68 s GLU 71 N -2.26 0.39 0.00 2.90 2.12 -0.01 -0.70 118.70 121.14 1t68 s GLU 71 Ca 0.27 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.19 1t68 s GLU 71 Cb -0.12 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.37 1t68 s GLU 71 CO 0.20 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1t68 n GLY 72 N 3.42 1.83 3.39 -1.50 0.00 -0.40 -1.25 105.19 110.67 1t68 n GLY 72 Ca -0.17 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1t68 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t68 s LYS 73 N -1.29 2.64 0.31 1.61 1.02 -1.26 -0.26 119.74 122.52 1t68 s LYS 73 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1t68 s LYS 73 Cb 0.00 -2.33 -0.11 0.00 -0.52 0.00 0.00 37.83 34.86 1t68 s LYS 73 CO 0.00 0.48 1.58 -0.51 -0.92 0.00 0.00 175.35 175.98 1t68 s LEU 74 N -0.37 4.33 0.68 3.17 1.43 -0.27 -4.31 118.68 123.34 1t68 s LEU 74 Ca 0.03 2.99 -0.15 0.00 -1.03 0.00 0.00 54.13 55.98 1t68 s LEU 74 Cb -0.12 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1t68 s LEU 74 CO 0.02 -0.92 1.13 -1.61 0.23 0.00 0.00 176.35 175.21 1t68 s GLU 75 N -0.88 2.60 0.31 1.70 0.41 0.33 -4.92 118.70 118.25 1t68 s GLU 75 Ca 0.61 1.48 0.16 0.00 -0.41 0.00 0.00 54.97 56.81 1t68 s GLU 75 Cb -0.48 -1.92 0.35 0.00 -1.78 0.00 0.00 34.13 30.31 1t68 s GLU 75 CO 0.52 -1.42 1.58 0.66 -0.49 0.00 0.00 175.26 176.10 1t68 h SER 76 N -0.10 0.00 0.02 -0.19 4.64 -1.94 -3.34 113.55 112.64 1t68 h SER 76 Ca -0.47 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.63 1t68 h SER 76 Cb 1.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1t68 h SER 76 CO 0.53 0.49 -0.84 0.77 -0.87 0.00 0.00 176.83 176.91 1t68 h SER 77 N 0.00 0.81 0.00 4.97 4.64 -1.95 -3.48 113.55 118.53 1t68 h SER 77 Ca -0.00 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1t68 h SER 77 Cb 1.17 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1t68 h SER 77 CO 0.06 1.35 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 1t68 n GLY 78 N 0.78 -0.99 3.57 -0.77 0.00 -1.26 -4.99 105.19 101.53 1t68 n GLY 78 Ca -0.07 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1t68 n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t68 s LEU 79 N 0.00 3.65 -0.27 0.99 2.96 -1.26 -4.18 118.68 120.56 1t68 s LEU 79 Ca 0.00 -1.90 -0.23 0.00 -0.22 0.00 0.00 54.13 51.78 1t68 s LEU 79 Cb 0.00 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 44.19 1t68 s LEU 79 CO 0.00 -1.39 0.74 -1.58 -1.32 0.00 0.00 176.35 172.79 1t68 s GLN 80 N 4.69 0.79 -0.04 1.98 0.74 -1.26 -1.11 119.66 125.45 1t68 s GLN 80 Ca 0.50 1.01 -0.14 0.00 0.05 0.00 0.00 55.36 56.79 1t68 s GLN 80 Cb 0.02 0.34 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1t68 s GLN 80 CO -0.01 -0.11 0.30 1.52 -0.55 0.00 0.00 175.29 176.44 1t68 s TYR 81 N 0.62 -0.21 -0.23 1.67 -0.85 -0.49 -0.51 117.35 117.36 1t68 s TYR 81 Ca -0.02 0.38 -0.07 0.00 -0.52 0.00 0.00 57.07 56.85 1t68 s TYR 81 Cb -0.05 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 1t68 s TYR 81 CO -0.04 -0.33 0.05 0.99 -1.52 0.00 0.00 175.55 174.70 1t68 s THR 82 N -0.98 4.30 -0.00 -3.49 2.01 -1.26 -0.91 115.64 115.31 1t68 s THR 82 Ca -0.11 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1t68 s THR 82 Cb -0.05 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1t68 s THR 82 CO 0.03 0.38 0.05 0.00 -0.69 0.00 0.00 174.62 174.38 1t68 s ALA 83 N 1.30 3.46 0.23 7.40 0.00 0.70 -4.16 121.76 130.69 1t68 s ALA 83 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1t68 s ALA 83 Cb -0.15 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1t68 s ALA 83 CO 0.03 0.67 0.48 -1.59 0.00 0.00 0.00 175.76 175.35 1t68 s LYS 84 N -1.66 3.62 0.00 0.00 -2.85 -0.38 -1.57 119.74 116.90 1t68 s LYS 84 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 1t68 s LYS 84 Cb -0.12 -2.73 -0.00 0.00 -2.06 0.00 0.00 37.83 32.92 1t68 s LYS 84 CO 0.12 0.32 -0.01 1.52 0.10 0.00 0.00 175.35 177.40 1t68 s TYR 85 N -1.92 0.07 0.30 1.78 1.13 -1.26 -0.83 117.35 116.62 1t68 s TYR 85 Ca 0.42 -0.08 0.07 0.00 -1.41 0.00 0.00 57.07 56.07 1t68 s TYR 85 Cb -0.11 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1t68 s TYR 85 CO 0.28 -0.03 0.33 -1.59 -2.51 0.00 0.00 175.55 172.03 1t68 s LYS 86 N -0.22 3.01 -0.14 -3.49 -2.85 -0.06 -3.87 119.74 112.12 1t68 s LYS 86 Ca -0.02 -1.07 -0.03 0.00 -1.00 0.00 0.00 55.97 53.85 1t68 s LYS 86 Cb -0.02 -2.66 -0.03 0.00 -2.06 0.00 0.00 37.83 33.06 1t68 s LYS 86 CO -0.00 0.22 -0.03 0.99 0.10 0.00 0.00 175.35 176.63 1t68 s THR 87 N -2.17 4.02 0.26 3.79 2.01 -0.15 -1.73 115.64 121.67 1t68 s THR 87 Ca 0.39 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1t68 s THR 87 Cb -0.08 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1t68 s THR 87 CO 0.28 0.52 0.03 0.68 -0.69 0.00 0.00 174.62 175.44 1t68 s VAL 88 N 0.03 1.00 0.52 3.82 -7.23 -0.42 -0.29 120.40 117.83 1t68 s VAL 88 Ca 0.01 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1t68 s VAL 88 Cb -0.13 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.41 1t68 s VAL 88 CO 0.02 -0.19 0.72 -0.90 -0.31 0.00 0.00 175.10 174.44 1t68 n ASP 89 N -0.49 1.08 0.00 4.85 5.68 -0.22 -3.92 116.55 123.52 1t68 n ASP 89 Ca -0.03 -1.88 0.08 0.00 -0.50 0.00 0.00 54.79 52.45 1t68 n ASP 89 Cb 0.65 -0.45 0.35 0.00 -1.14 0.00 0.00 41.12 40.53 1t68 n ASP 89 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1t68 n LYS 90 N -2.30 0.03 -0.13 0.11 2.85 -1.26 -0.68 118.16 116.77 1t68 n LYS 90 Ca 0.12 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 1t68 n LYS 90 Cb 0.44 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.50 1t68 n LYS 90 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1t68 n LYS 91 N -1.47 2.44 -1.13 -1.58 4.01 -1.26 -4.77 118.16 114.40 1t68 n LYS 91 Ca 0.04 -2.18 -0.04 0.00 -0.51 0.00 0.00 58.31 55.62 1t68 n LYS 91 Cb 0.18 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.19 1t68 n LYS 91 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1t68 n LYS 92 N 1.44 -0.67 -2.28 1.97 5.02 0.14 -5.01 118.16 118.77 1t68 n LYS 92 Ca 0.18 0.52 -0.39 0.00 -2.02 0.00 0.00 58.31 56.60 1t68 n LYS 92 Cb 0.60 -4.25 -0.02 0.00 -0.02 0.00 0.00 35.03 31.34 1t68 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t68 s ALA 93 N -1.98 3.20 -0.06 7.82 0.00 -1.26 -4.76 121.76 124.72 1t68 s ALA 93 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1t68 s ALA 93 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1t68 s ALA 93 CO 0.00 -0.53 1.07 0.08 0.00 0.00 0.00 175.76 176.39 1t68 s VAL 94 N -1.37 4.58 -0.22 0.00 1.01 -1.26 -1.05 120.40 122.09 1t68 s VAL 94 Ca 0.56 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 64.28 1t68 s VAL 94 Cb -0.32 -4.20 -0.18 0.00 0.00 0.00 0.00 36.38 31.68 1t68 s VAL 94 CO 0.40 0.04 0.01 0.18 0.00 0.00 0.00 175.10 175.73 1t68 n LEU 95 N 4.75 2.28 -3.79 3.92 4.77 0.60 -4.93 117.00 124.59 1t68 n LEU 95 Ca 0.09 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1t68 n LEU 95 Cb 0.48 -0.95 -0.16 0.00 -2.33 0.00 0.00 43.42 40.46 1t68 n LEU 95 CO 0.53 0.62 -0.36 -0.54 -1.33 0.00 0.00 177.39 176.31 1t68 s LYS 96 N -2.48 0.10 1.01 3.23 1.02 -0.92 -5.00 119.74 116.71 1t68 s LYS 96 Ca -0.31 0.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.69 1t68 s LYS 96 Cb 0.09 -0.34 0.20 0.00 -0.52 0.00 0.00 37.83 37.26 1t68 s LYS 96 CO 0.61 -0.15 1.08 -1.21 -0.92 0.00 0.00 175.35 174.76 1t68 s GLU 97 N 1.02 0.30 0.31 1.68 0.41 -1.26 -0.97 118.70 120.19 1t68 s GLU 97 Ca -0.09 0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 54.89 1t68 s GLU 97 Cb -0.13 -1.71 -0.11 0.00 -1.78 0.00 0.00 34.13 30.40 1t68 s GLU 97 CO -0.02 -2.87 1.56 0.00 -0.49 0.00 0.00 175.26 173.43 1t68 s ALA 98 N -2.82 3.70 -0.42 5.21 0.00 -1.25 -4.65 121.76 121.53 1t68 s ALA 98 Ca 0.66 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.93 1t68 s ALA 98 Cb -0.20 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1t68 s ALA 98 CO 0.59 -0.99 0.84 0.34 0.00 0.00 0.00 175.76 176.55 1t68 s ASP 99 N 0.32 6.50 0.00 0.00 -1.08 -1.26 -4.94 116.67 116.21 1t68 s ASP 99 Ca 0.60 0.15 0.12 0.00 -0.52 0.00 0.00 52.55 52.90 1t68 s ASP 99 Cb -0.47 -2.42 0.51 0.00 -1.46 0.00 0.00 42.92 39.08 1t68 s ASP 99 CO 0.52 -0.91 1.38 -0.62 0.52 0.00 0.00 175.17 176.06 1t68 n GLU 100 N 6.79 0.00 0.00 4.34 -0.58 -1.26 -1.09 120.64 128.84 1t68 n GLU 100 Ca 0.04 0.29 0.15 0.00 -0.42 0.00 0.00 57.16 57.22 1t68 n GLU 100 Cb 0.48 -1.50 0.74 0.00 -0.57 0.00 0.00 31.44 30.60 1t68 n GLU 100 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1t68 n LYS 101 N -1.50 1.02 -4.40 3.49 2.85 -1.26 -4.83 118.16 113.53 1t68 n LYS 101 Ca 0.03 -0.28 -0.30 0.00 -1.05 0.00 0.00 58.31 56.70 1t68 n LYS 101 Cb 0.14 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 32.92 1t68 n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1t68 s ASN 102 N -2.17 4.16 0.19 -5.58 0.02 -0.25 -0.81 114.94 110.50 1t68 s ASN 102 Ca 0.39 -0.40 -0.23 0.00 -1.02 0.00 0.00 52.86 51.61 1t68 s ASN 102 Cb 0.21 -0.75 0.05 0.00 0.02 0.00 0.00 41.25 40.78 1t68 s ASN 102 CO 0.40 0.22 0.68 -0.94 0.02 0.00 0.00 177.10 177.48 1t68 s SER 103 N -1.86 -0.42 0.03 -1.22 1.04 -0.57 -4.69 113.70 106.00 1t68 s SER 103 Ca 0.18 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.40 1t68 s SER 103 Cb -0.11 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 1t68 s SER 103 CO 0.10 -1.08 -0.11 -0.72 0.98 0.00 0.00 173.24 172.40 1t68 s TYR 104 N -3.75 0.97 -0.20 5.02 1.13 -0.61 -0.57 117.35 119.34 1t68 s TYR 104 Ca 0.05 -0.31 -0.04 0.00 -1.41 0.00 0.00 57.07 55.37 1t68 s TYR 104 Cb -0.03 -0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 1t68 s TYR 104 CO -0.05 -0.00 -0.05 0.99 -2.51 0.00 0.00 175.55 173.94 1t68 s THR 105 N -0.74 3.46 -0.19 -3.49 2.01 -0.15 -0.21 115.64 116.32 1t68 s THR 105 Ca -0.00 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1t68 s THR 105 Cb -0.07 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1t68 s THR 105 CO 0.01 0.44 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.10 1t68 s LEU 106 N 1.20 2.93 -0.17 4.42 0.20 -0.08 -0.93 118.68 126.26 1t68 s LEU 106 Ca 0.03 -0.33 -0.00 0.00 0.69 0.00 0.00 54.13 54.51 1t68 s LEU 106 Cb -0.14 -1.73 0.00 0.00 -0.43 0.00 0.00 46.19 43.89 1t68 s LEU 106 CO -0.01 0.05 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.06 1t68 s THR 107 N 1.08 2.64 -0.18 3.68 2.01 0.23 -1.39 115.64 123.72 1t68 s THR 107 Ca 0.01 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 1t68 s THR 107 Cb -0.15 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 1t68 s THR 107 CO -0.00 0.51 0.74 -0.69 -0.69 0.00 0.00 174.62 174.49 1t68 s VAL 108 N 1.01 4.94 -0.07 3.82 1.01 -0.27 -1.24 120.40 129.61 1t68 s VAL 108 Ca -0.02 1.44 0.19 0.00 0.00 0.00 0.00 61.98 63.60 1t68 s VAL 108 Cb -0.15 -4.05 -0.29 0.00 0.00 0.00 0.00 36.38 31.89 1t68 s VAL 108 CO -0.03 0.07 0.34 0.18 0.00 0.00 0.00 175.10 175.66 1t68 n LEU 109 N 5.10 0.00 -3.54 3.92 4.77 0.46 -2.05 117.00 125.67 1t68 n LEU 109 Ca 0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1t68 n LEU 109 Cb 0.49 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1t68 n LEU 109 CO 0.46 0.12 0.60 -0.70 -1.33 0.00 0.00 177.39 176.54 1t68 s GLU 110 N -3.16 0.86 -0.27 3.23 2.56 -1.04 -4.36 118.70 116.52 1t68 s GLU 110 Ca -0.08 0.12 -0.20 0.00 0.00 0.00 0.00 54.97 54.81 1t68 s GLU 110 Cb 0.11 0.40 0.07 0.00 2.00 0.00 0.00 34.13 36.72 1t68 s GLU 110 CO 0.82 -0.29 0.68 0.00 -0.56 0.00 0.00 175.26 175.92 1t68 s ALA 111 N -1.48 -1.77 0.00 6.30 0.00 -1.26 -1.23 121.76 122.32 1t68 s ALA 111 Ca -0.05 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1t68 s ALA 111 Cb -0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1t68 s ALA 111 CO 0.03 -0.35 0.00 -0.40 0.00 0.00 0.00 175.76 175.04 1t68 n ASP 112 N 3.54 0.12 0.25 0.00 5.68 0.01 -4.81 116.55 121.34 1t68 n ASP 112 Ca -0.17 -0.63 0.17 0.00 -0.50 0.00 0.00 54.79 53.66 1t68 n ASP 112 Cb 0.57 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.23 1t68 n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1t68 h ASP 113 N 0.00 0.00 0.00 -1.12 3.32 -2.00 -3.25 116.42 113.37 1t68 h ASP 113 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1t68 h ASP 113 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1t68 h ASP 113 CO 0.00 0.00 -1.34 -1.54 -1.72 0.00 0.00 179.24 174.64 1t68 n SER 114 N -2.92 3.35 -3.62 6.45 3.41 -1.26 -4.93 113.62 114.10 1t68 n SER 114 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1t68 n SER 114 Cb 0.27 1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 65.47 1t68 n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1t68 s SER 115 N -2.89 -0.28 0.14 4.04 0.01 -1.23 -2.44 113.70 111.05 1t68 s SER 115 Ca -0.03 -0.20 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 1t68 s SER 115 Cb 0.04 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.77 1t68 s SER 115 CO 0.30 -0.82 0.37 0.00 0.41 0.00 0.00 173.24 173.50 1t68 s ALA 116 N -3.46 -0.62 -0.08 1.44 0.00 -0.27 -0.81 121.76 117.95 1t68 s ALA 116 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1t68 s ALA 116 Cb 0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1t68 s ALA 116 CO -0.10 -0.65 -0.11 -1.17 0.00 0.00 0.00 175.76 173.73 1t68 s LEU 117 N -2.86 1.54 0.11 0.00 2.96 -0.36 -0.47 118.68 119.59 1t68 s LEU 117 Ca 0.07 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1t68 s LEU 117 Cb 0.02 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 1t68 s LEU 117 CO -0.08 -0.00 -0.13 0.68 -1.32 0.00 0.00 176.35 175.50 1t68 s VAL 118 N 0.91 1.18 -0.10 1.68 -7.23 -0.71 -0.40 120.40 115.73 1t68 s VAL 118 Ca -0.10 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1t68 s VAL 118 Cb -0.15 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1t68 s VAL 118 CO 0.01 -0.46 -0.08 -2.28 -0.31 0.00 0.00 175.10 171.99 1t68 s HIS 119 N -2.19 2.92 -0.10 2.82 2.46 -0.37 -1.03 115.29 119.80 1t68 s HIS 119 Ca 0.07 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.45 1t68 s HIS 119 Cb -0.04 -1.79 0.01 0.00 -0.13 0.00 0.00 32.58 30.63 1t68 s HIS 119 CO 0.02 0.15 -0.15 0.42 -2.47 0.00 0.00 174.74 172.71 1t68 s ILE 120 N -0.34 1.46 -0.36 0.89 1.01 0.16 -0.60 121.20 123.43 1t68 s ILE 120 Ca 0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1t68 s ILE 120 Cb -0.12 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.08 1t68 s ILE 120 CO 0.02 0.43 0.12 0.00 0.00 0.00 0.00 174.94 175.52 1t68 s LEU 122 N 1.29 4.29 -0.10 0.00 2.96 -1.26 -0.98 118.68 124.88 1t68 s LEU 122 Ca 0.01 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 1t68 s LEU 122 Cb -0.21 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.77 1t68 s LEU 122 CO -0.00 0.02 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.73 1t68 s ARG 123 N 0.51 2.44 -0.34 1.98 0.52 0.27 -0.28 118.95 124.04 1t68 s ARG 123 Ca 0.27 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1t68 s ARG 123 Cb -0.15 -1.96 0.08 0.00 0.52 0.00 0.00 34.95 33.44 1t68 s ARG 123 CO 0.11 0.04 0.05 -1.21 0.02 0.00 0.00 175.30 174.32 1t68 s GLU 124 N 0.68 2.00 8.00 3.54 2.02 0.21 -1.51 118.70 133.63 1t68 s GLU 124 Ca -0.13 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1t68 s GLU 124 Cb -0.16 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1t68 s GLU 124 CO 0.03 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.89 1t68 n GLY 125 N 4.47 3.99 0.21 -1.39 0.00 0.01 -1.98 105.19 110.50 1t68 n GLY 125 Ca -0.05 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1t68 n GLY 125 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t68 h SER 126 N 0.00 0.59 -3.37 1.61 4.64 -1.96 -3.47 113.55 111.59 1t68 h SER 126 Ca 0.00 -0.06 -0.55 0.00 -0.47 0.00 0.00 61.79 60.71 1t68 h SER 126 Cb 0.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 1t68 h SER 126 CO 0.00 0.47 0.07 -0.54 -0.87 0.00 0.00 176.83 175.96 1t68 s LYS 127 N -5.99 4.38 0.34 4.77 1.02 -0.84 -5.08 119.74 118.33 1t68 s LYS 127 Ca -0.13 0.94 -0.07 0.00 0.02 0.00 0.00 55.97 56.73 1t68 s LYS 127 Cb 0.12 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.12 1t68 s LYS 127 CO 0.75 0.60 0.64 -0.51 -0.92 0.00 0.00 175.35 175.91 1t68 s ASP 128 N -1.10 6.48 0.00 2.83 1.11 -1.26 -0.62 116.67 124.11 1t68 s ASP 128 Ca 0.32 0.89 0.29 0.00 0.18 0.00 0.00 52.55 54.23 1t68 s ASP 128 Cb -0.21 -2.22 1.21 0.00 1.07 0.00 0.00 42.92 42.77 1t68 s ASP 128 CO 0.22 -0.28 1.88 -0.11 1.18 0.00 0.00 175.17 178.07 1t68 n LEU 129 N -1.07 0.14 0.00 1.23 0.00 0.61 -4.93 117.00 112.98 1t68 n LEU 129 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 56.01 56.31 1t68 n LEU 129 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 43.42 43.60 1t68 n LEU 129 CO 0.48 0.03 0.00 0.61 0.00 0.00 0.00 177.39 178.51 1t68 n GLY 130 N 1.41 -0.88 3.77 -3.96 0.00 -1.25 -4.75 105.19 99.54 1t68 n GLY 130 Ca 0.10 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1t68 n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t68 s ASP 131 N -2.99 6.32 -0.10 1.61 1.01 -1.26 -4.58 116.67 116.68 1t68 s ASP 131 Ca 0.00 2.90 -0.00 0.00 0.71 0.00 0.00 52.55 56.16 1t68 s ASP 131 Cb 0.00 -2.66 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1t68 s ASP 131 CO 0.00 -0.87 -0.07 -0.22 0.21 0.00 0.00 175.17 174.22 1t68 s LEU 132 N -2.21 1.20 -0.13 1.23 2.96 -0.95 -1.98 118.68 118.80 1t68 s LEU 132 Ca 0.54 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1t68 s LEU 132 Cb -0.43 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1t68 s LEU 132 CO 0.58 -0.10 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.18 1t68 s TYR 133 N 1.54 3.08 -0.09 5.38 2.02 -0.15 -0.66 117.35 128.46 1t68 s TYR 133 Ca 0.01 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1t68 s TYR 133 Cb -0.13 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1t68 s TYR 133 CO -0.06 0.16 -0.10 0.95 -1.57 0.00 0.00 175.55 174.93 1t68 s THR 134 N -0.10 1.08 -0.03 -0.71 -4.23 -0.20 -0.70 115.64 110.76 1t68 s THR 134 Ca 0.03 -0.39 -0.28 0.00 -1.18 0.00 0.00 61.69 59.87 1t68 s THR 134 Cb -0.13 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1t68 s THR 134 CO 0.02 0.36 0.88 -0.69 -0.54 0.00 0.00 174.62 174.65 1t68 s VAL 135 N 1.12 4.93 0.04 2.29 1.01 0.06 -1.74 120.40 128.12 1t68 s VAL 135 Ca -0.06 1.83 0.08 0.00 0.00 0.00 0.00 61.98 63.83 1t68 s VAL 135 Cb -0.14 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1t68 s VAL 135 CO -0.02 0.19 -0.20 -0.76 0.00 0.00 0.00 175.10 174.31 1t68 s LEU 136 N 0.97 2.50 0.17 3.92 1.43 0.38 -0.86 118.68 127.20 1t68 s LEU 136 Ca 0.46 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1t68 s LEU 136 Cb -0.20 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1t68 s LEU 136 CO 0.24 0.26 0.02 0.42 0.23 0.00 0.00 176.35 177.52 1t68 s THR 137 N -0.89 0.56 -0.38 5.49 -4.23 -0.30 -1.12 115.64 114.77 1t68 s THR 137 Ca 0.14 -1.97 0.23 0.00 -1.18 0.00 0.00 61.69 58.91 1t68 s THR 137 Cb -0.10 -2.12 0.24 0.00 1.34 0.00 0.00 72.50 71.85 1t68 s THR 137 CO 0.04 -0.46 1.44 0.45 -0.54 0.00 0.00 174.62 175.56 1t68 h HIS 138 N 2.72 0.00 -3.30 3.99 3.86 -1.67 -0.34 115.15 120.40 1t68 h HIS 138 Ca -0.36 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.19 1t68 h HIS 138 Cb 1.20 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.39 1t68 h HIS 138 CO 0.51 0.00 -0.77 -0.65 0.86 0.00 0.00 177.93 177.88 1t68 s GLN 139 N -3.26 3.30 0.49 2.45 -0.21 -1.26 -4.78 119.66 116.39 1t68 s GLN 139 Ca 0.05 -0.70 -0.23 0.00 0.02 0.00 0.00 55.36 54.50 1t68 s GLN 139 Cb 0.06 -2.75 -0.06 0.00 1.00 0.00 0.00 33.01 31.25 1t68 s GLN 139 CO 0.71 -0.03 1.28 0.21 -2.12 0.00 0.00 175.29 175.34 1t68 s LYS 140 N 0.96 3.51 -1.81 2.91 2.20 -1.26 -2.20 119.74 124.04 1t68 s LYS 140 Ca -0.02 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 1t68 s LYS 140 Cb -0.15 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1t68 s LYS 140 CO -0.01 -0.84 0.00 -0.25 -0.36 0.00 0.00 175.35 173.89 1t68 n ASP 141 N -0.63 -5.36 -4.91 1.43 8.00 -1.26 -4.97 116.55 108.84 1t68 n ASP 141 Ca 0.08 0.42 -0.28 0.00 0.71 0.00 0.00 54.79 55.73 1t68 n ASP 141 Cb 0.46 -4.37 0.01 0.00 -0.02 0.00 0.00 41.12 37.20 1t68 n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t68 s ALA 142 N -2.53 3.35 0.06 2.24 0.00 -0.94 -5.06 121.76 118.89 1t68 s ALA 142 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 1t68 s ALA 142 Cb 0.00 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 1t68 s ALA 142 CO 0.00 -0.49 0.72 -1.21 0.00 0.00 0.00 175.76 174.78 1t68 s GLU 143 N -4.84 4.45 0.81 0.00 0.41 -1.26 -4.95 118.70 113.32 1t68 s GLU 143 Ca 0.50 0.99 -0.12 0.00 -0.41 0.00 0.00 54.97 55.93 1t68 s GLU 143 Cb -0.10 -3.33 0.09 0.00 -1.78 0.00 0.00 34.13 29.00 1t68 s GLU 143 CO 0.46 0.38 1.16 -1.25 -0.49 0.00 0.00 175.26 175.53 1t68 s PRO 144 N -0.38 1.68 0.81 0.39 0.04 -1.26 -4.99 135.00 131.29 1t68 s PRO 144 Ca 0.36 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1t68 s PRO 144 Cb -0.20 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1t68 s PRO 144 CO 0.22 -2.15 1.10 -1.54 0.04 0.00 0.00 177.00 174.67 1t68 s SER 145 N -2.50 4.13 0.28 6.66 1.04 -1.26 -4.76 113.70 117.28 1t68 s SER 145 Ca 0.69 1.84 -0.01 0.00 0.48 0.00 0.00 55.95 58.95 1t68 s SER 145 Cb -0.25 -2.49 0.46 0.00 0.10 0.00 0.00 66.02 63.84 1t68 s SER 145 CO 0.52 -2.28 1.89 0.00 0.98 0.00 0.00 173.24 174.36 1t68 h ALA 146 N -1.30 1.45 -0.61 5.32 0.00 -1.98 0.23 119.26 122.37 1t68 h ALA 146 Ca -0.44 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1t68 h ALA 146 Cb 1.24 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1t68 h ALA 146 CO 0.50 0.41 0.31 -0.22 0.00 0.00 0.00 179.25 180.25 1t68 h LYS 147 N 1.12 0.56 -0.16 0.00 3.64 -1.99 0.34 116.57 120.08 1t68 h LYS 147 Ca 0.42 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.56 1t68 h LYS 147 Cb 0.18 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1t68 h LYS 147 CO -0.16 0.37 -0.71 0.28 -2.27 0.00 0.00 179.45 176.96 1t68 h VAL 148 N 0.58 1.30 -0.56 2.00 2.07 -1.70 -2.05 116.25 117.89 1t68 h VAL 148 Ca 0.28 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 1t68 h VAL 148 Cb 0.21 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1t68 h VAL 148 CO -0.20 0.61 0.24 0.11 0.02 0.00 0.00 177.57 178.35 1t68 h LYS 149 N 0.50 0.81 -0.61 1.57 1.57 -0.64 -2.15 116.57 117.62 1t68 h LYS 149 Ca -0.03 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1t68 h LYS 149 Cb 1.32 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1t68 h LYS 149 CO 0.14 0.66 0.11 1.03 -0.57 0.00 0.00 179.45 180.81 1t68 h SER 150 N 0.80 0.92 -0.58 0.86 0.87 -0.63 -2.78 113.55 113.01 1t68 h SER 150 Ca 0.19 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1t68 h SER 150 Cb 0.14 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1t68 h SER 150 CO -0.02 0.92 0.39 0.00 -0.53 0.00 0.00 176.83 177.59 1t68 h ALA 151 N 1.19 1.64 -0.17 6.23 0.00 -0.75 -0.05 119.26 127.35 1t68 h ALA 151 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1t68 h ALA 151 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1t68 h ALA 151 CO 0.01 0.32 0.11 0.28 0.00 0.00 0.00 179.25 179.97 1t68 h VAL 152 N 0.74 1.06 -0.52 0.00 2.07 -1.17 0.30 116.25 118.73 1t68 h VAL 152 Ca 0.22 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 1t68 h VAL 152 Cb -0.01 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1t68 h VAL 152 CO -0.05 0.06 0.11 0.74 0.02 0.00 0.00 177.57 178.44 1t68 h THR 153 N 0.21 1.24 0.00 2.57 2.02 -1.26 -2.26 112.91 115.44 1t68 h THR 153 Ca 0.06 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1t68 h THR 153 Cb -0.00 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1t68 h THR 153 CO -0.01 0.32 0.00 1.56 0.37 0.00 0.00 175.52 177.76 1t68 h GLN 154 N 0.72 0.00 0.00 6.66 1.08 -0.82 0.05 115.11 122.81 1t68 h GLN 154 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1t68 h GLN 154 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1t68 h GLN 154 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1t68 n ALA 155 N -1.89 2.67 -0.93 3.87 0.00 0.08 -4.89 120.51 119.42 1t68 n ALA 155 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1t68 n ALA 155 Cb 0.26 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1t68 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t68 n GLY 156 N 0.98 0.62 3.71 0.00 0.00 0.00 -5.05 105.19 105.46 1t68 n GLY 156 Ca 0.24 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1t68 n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t68 s LEU 157 N 0.00 2.73 -0.10 0.99 1.43 -0.99 -5.04 118.68 117.70 1t68 s LEU 157 Ca 0.00 -1.39 0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1t68 s LEU 157 Cb 0.00 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1t68 s LEU 157 CO 0.00 -0.65 -0.12 -1.10 0.23 0.00 0.00 176.35 174.71 1t68 s GLN 158 N -3.85 1.85 0.53 1.70 -1.52 -1.26 -3.98 119.66 113.13 1t68 s GLN 158 Ca 0.27 -0.43 0.18 0.00 -1.95 0.00 0.00 55.36 53.44 1t68 s GLN 158 Cb 0.05 -1.64 1.32 0.00 -0.22 0.00 0.00 33.01 32.52 1t68 s GLN 158 CO 0.14 -0.09 2.13 1.25 -0.25 0.00 0.00 175.29 178.47 1t68 h LEU 159 N 7.49 0.00 -2.76 2.90 5.85 -1.94 -0.57 115.31 126.28 1t68 h LEU 159 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1t68 h LEU 159 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1t68 h LEU 159 CO 0.46 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.33 1t68 h SER 160 N 0.00 0.00 0.47 1.25 4.64 -2.03 -2.08 113.55 115.80 1t68 h SER 160 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1t68 h SER 160 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1t68 h SER 160 CO -0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 176.83 175.42 1t68 n GLN 161 N -3.01 0.00 -2.75 4.77 1.13 -0.22 -4.90 117.38 112.41 1t68 n GLN 161 Ca -0.03 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.68 1t68 n GLN 161 Cb 0.08 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.87 1t68 n GLN 161 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1t68 s PHE 162 N -3.00 3.48 -0.11 1.08 0.40 -0.79 -4.88 117.98 114.16 1t68 s PHE 162 Ca 0.11 1.70 -0.30 0.00 -0.60 0.00 0.00 56.93 57.84 1t68 s PHE 162 Cb 0.17 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.75 1t68 s PHE 162 CO 0.71 -0.06 1.02 0.08 0.70 0.00 0.00 175.22 177.67 1t68 s VAL 163 N -1.81 4.74 -0.24 -0.44 1.01 0.24 -4.85 120.40 119.06 1t68 s VAL 163 Ca 0.56 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 64.32 1t68 s VAL 163 Cb -0.16 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1t68 s VAL 163 CO 0.21 -0.01 0.77 -0.83 0.00 0.00 0.00 175.10 175.24 1t68 s GLY 164 N 1.13 1.81 0.45 4.51 0.00 -1.26 -1.48 107.32 112.48 1t68 s GLY 164 Ca 0.49 -0.20 0.24 0.00 0.00 0.00 0.00 44.72 45.25 1t68 s GLY 164 CO 0.17 1.69 1.68 -0.91 0.00 0.00 0.00 173.10 175.74 1t68 h THR 165 N 5.40 0.13 0.00 0.90 1.35 -1.46 -3.25 112.91 115.98 1t68 h THR 165 Ca -0.25 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1t68 h THR 165 Cb 1.10 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1t68 h THR 165 CO 0.84 0.07 0.00 2.29 -0.25 0.00 0.00 175.52 178.47 1t68 n LYS 166 N -3.13 0.15 -0.20 4.72 2.85 -1.26 -1.94 118.16 119.34 1t68 n LYS 166 Ca 0.03 0.53 0.09 0.00 -1.05 0.00 0.00 58.31 57.91 1t68 n LYS 166 Cb 0.50 -1.88 0.20 0.00 -0.65 0.00 0.00 35.03 33.19 1t68 n LYS 166 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t68 n ASP 167 N -2.18 3.20 -0.07 -5.58 8.00 -1.22 -4.63 116.55 114.07 1t68 n ASP 167 Ca 0.00 -1.93 0.13 0.00 0.71 0.00 0.00 54.79 53.70 1t68 n ASP 167 Cb 0.12 -0.26 0.33 0.00 -0.02 0.00 0.00 41.12 41.29 1t68 n ASP 167 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1t68 n LEU 168 N 1.10 0.59 -0.36 0.64 4.77 -0.82 -4.93 117.00 117.99 1t68 n LEU 168 Ca 0.16 -0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1t68 n LEU 168 Cb 0.51 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1t68 n LEU 168 CO 0.12 0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 176.91 1t68 n GLY 169 N 1.45 0.43 3.70 -0.72 0.00 -1.26 -4.92 105.19 103.86 1t68 n GLY 169 Ca 0.08 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1t68 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t68 s GLN 171 N -2.03 3.51 0.35 0.00 -1.52 -1.26 -5.12 119.66 113.59 1t68 s GLN 171 Ca 0.58 -0.57 0.07 0.00 -1.95 0.00 0.00 55.36 53.49 1t68 s GLN 171 Cb -0.54 -3.04 -0.02 0.00 -0.22 0.00 0.00 33.01 29.19 1t68 s GLN 171 CO 0.60 -0.07 0.32 0.71 -0.25 0.00 0.00 175.29 176.60 1t68 s TYR 172 N 1.19 2.86 -0.58 0.91 2.02 -1.26 -4.74 117.35 117.76 1t68 s TYR 172 Ca 0.03 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1t68 s TYR 172 Cb -0.14 -1.89 0.15 0.00 -0.40 0.00 0.00 41.96 39.67 1t68 s TYR 172 CO 0.00 0.10 0.35 0.34 -1.57 0.00 0.00 175.55 174.77 1t68 s ASP 173 N -4.03 4.38 0.41 2.29 -1.08 -1.26 -4.97 116.67 112.42 1t68 s ASP 173 Ca 0.43 -3.30 0.26 0.00 -0.52 0.00 0.00 52.55 49.41 1t68 s ASP 173 Cb -0.05 -1.56 0.69 0.00 -1.46 0.00 0.00 42.92 40.54 1t68 s ASP 173 CO 0.27 -0.18 1.73 0.44 0.52 0.00 0.00 175.17 177.95 1t68 h ASP 174 N 6.08 0.00 -0.75 -0.34 3.32 -1.99 -2.32 116.42 120.42 1t68 h ASP 174 Ca 0.02 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1t68 h ASP 174 Cb 0.84 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1t68 h ASP 174 CO 0.68 0.00 0.47 -0.61 -1.72 0.00 0.00 179.24 178.05 1t68 h GLN 175 N 0.00 0.87 -0.24 3.56 4.15 -1.94 -2.90 115.11 118.61 1t68 h GLN 175 Ca 0.00 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.17 1t68 h GLN 175 Cb 0.81 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1t68 h GLN 175 CO 0.00 0.57 -0.63 0.35 -1.93 0.00 0.00 178.83 177.20 1t68 h PHE 176 N 0.89 1.06 -0.01 3.99 3.57 -1.72 -3.26 116.94 121.47 1t68 h PHE 176 Ca 0.31 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1t68 h PHE 176 Cb 0.07 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1t68 h PHE 176 CO -0.04 1.23 -0.08 0.25 -2.23 0.00 0.00 178.31 177.45 1t68 n THR 177 N -3.98 0.00 -3.21 4.41 -2.24 -1.19 -4.88 114.28 103.20 1t68 n THR 177 Ca -0.05 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 1t68 n THR 177 Cb 0.67 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 1t68 n THR 177 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1t68 s SER 178 N -2.26 6.73 0.00 3.42 0.01 -1.10 -4.67 113.70 115.84 1t68 s SER 178 Ca 0.34 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1t68 s SER 178 Cb 0.21 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1t68 s SER 178 CO 0.42 -0.11 0.00 0.00 0.41 0.00 0.00 173.24 173.97