#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtf s ASP 1 N 0.00 5.92 0.62 6.12 1.01 -1.26 -4.48 116.67 124.60 2gtf s ASP 1 Ca 0.00 2.96 -0.17 0.00 0.71 0.00 0.00 52.55 56.06 2gtf s ASP 1 Cb 0.00 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2gtf s ASP 1 CO 0.00 -1.15 1.13 0.00 0.21 0.00 0.00 175.17 175.35 2gtf n SER 3 N -2.04 3.68 0.04 0.00 7.64 -1.26 -4.95 113.62 116.74 2gtf n SER 3 Ca 0.11 1.15 -0.22 0.00 1.01 0.00 0.00 58.87 60.92 2gtf n SER 3 Cb 0.51 -1.57 -0.14 0.00 -1.01 0.00 0.00 64.21 62.00 2gtf n SER 3 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2gtf h THR 4 N 3.27 0.78 -2.34 0.44 1.35 -2.05 -3.40 112.91 110.95 2gtf h THR 4 Ca -0.47 -2.43 -0.76 0.00 -0.55 0.00 0.00 66.41 62.20 2gtf h THR 4 Cb 1.23 2.63 -0.20 0.00 -1.73 0.00 0.00 68.15 70.09 2gtf h THR 4 CO 0.78 0.88 1.27 -3.20 -0.25 0.00 0.00 175.52 175.00 2gtf n ASN 5 N -3.53 5.34 -3.87 5.36 2.85 -1.26 -4.87 115.26 115.28 2gtf n ASN 5 Ca -0.28 -3.04 -0.27 0.00 -0.11 0.00 0.00 54.58 50.88 2gtf n ASN 5 Cb 1.06 -1.50 -0.17 0.00 1.24 0.00 0.00 39.78 40.42 2gtf n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2gtf s ILE 6 N 0.50 0.91 0.02 -1.44 -1.09 -1.26 -5.13 121.20 113.70 2gtf s ILE 6 Ca 0.39 -0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2gtf s ILE 6 Cb -0.01 -1.02 -0.01 0.00 -1.58 0.00 0.00 42.46 39.84 2gtf s ILE 6 CO -0.01 0.26 0.07 -0.94 -1.23 0.00 0.00 174.94 173.09 2gtf s SER 7 N 1.74 0.17 0.48 3.58 1.04 -1.26 -5.11 113.70 114.35 2gtf s SER 7 Ca 0.04 -0.47 -0.22 0.00 0.48 0.00 0.00 55.95 55.78 2gtf s SER 7 Cb -0.13 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 2gtf s SER 7 CO -0.08 -0.43 1.12 -2.16 0.98 0.00 0.00 173.24 172.68 2gtf s PRO 8 N -2.08 3.67 0.03 4.02 0.04 -1.26 -4.80 135.00 134.61 2gtf s PRO 8 Ca -0.10 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 2gtf s PRO 8 Cb -0.04 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 2gtf s PRO 8 CO -0.02 -0.59 1.43 0.21 0.04 0.00 0.00 177.00 178.06 2gtf s LYS 9 N -2.94 4.28 0.34 4.56 2.20 -0.84 -4.91 119.74 122.43 2gtf s LYS 9 Ca 0.66 2.02 -0.19 0.00 -0.36 0.00 0.00 55.97 58.11 2gtf s LYS 9 Cb -0.25 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.46 2gtf s LYS 9 CO 0.29 -0.57 0.82 -0.65 -0.36 0.00 0.00 175.35 174.88 2gtf s GLN 10 N 2.20 4.16 0.00 4.03 -1.52 -1.26 -3.82 119.66 123.45 2gtf s GLN 10 Ca 0.65 0.90 0.00 0.00 -1.95 0.00 0.00 55.36 54.96 2gtf s GLN 10 Cb -0.33 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.00 2gtf s GLN 10 CO 0.28 0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.87 2gtf n GLY 11 N -0.20 0.75 3.75 3.09 0.00 -1.26 -5.04 105.19 106.28 2gtf n GLY 11 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2gtf n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gtf s LEU 12 N 0.00 4.41 -0.34 0.99 1.43 -1.25 -4.99 118.68 118.94 2gtf s LEU 12 Ca 0.00 2.58 -0.28 0.00 -1.03 0.00 0.00 54.13 55.40 2gtf s LEU 12 Cb 0.00 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.61 2gtf s LEU 12 CO 0.00 -0.58 1.03 -0.62 0.23 0.00 0.00 176.35 176.40 2gtf s ASP 13 N 0.06 6.84 0.56 2.29 2.15 -1.26 -4.91 116.67 122.41 2gtf s ASP 13 Ca 0.55 0.89 0.31 0.00 0.43 0.00 0.00 52.55 54.73 2gtf s ASP 13 Cb -0.39 -2.52 1.69 0.00 -0.30 0.00 0.00 42.92 41.40 2gtf s ASP 13 CO 0.45 -0.88 2.16 0.07 -0.17 0.00 0.00 175.17 176.80 2gtf h LYS 14 N 8.24 0.00 0.00 4.34 2.10 -1.99 -0.94 116.57 128.31 2gtf h LYS 14 Ca -0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.39 2gtf h LYS 14 Cb 1.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2gtf h LYS 14 CO 1.02 0.06 -0.20 0.00 -2.00 0.00 0.00 179.45 178.33 2gtf h ALA 15 N 1.94 1.65 0.00 0.07 0.00 -1.91 -0.49 119.26 120.53 2gtf h ALA 15 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2gtf h ALA 15 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2gtf h ALA 15 CO 0.01 0.25 -0.70 0.87 0.00 0.00 0.00 179.25 179.68 2gtf h LYS 16 N 0.00 0.00 0.05 0.00 1.57 -1.51 -3.37 116.57 113.31 2gtf h LYS 16 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2gtf h LYS 16 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2gtf h LYS 16 CO 0.03 0.70 -0.65 -0.92 -0.57 0.00 0.00 179.45 178.03 2gtf h TYR 17 N 0.00 0.20 -0.61 -1.35 3.20 -1.42 -3.38 116.97 113.61 2gtf h TYR 17 Ca -0.01 -0.15 -0.73 0.00 3.14 0.00 0.00 58.73 60.99 2gtf h TYR 17 Cb 1.30 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.48 2gtf h TYR 17 CO 0.00 1.25 2.74 1.19 -1.64 0.00 0.00 178.16 181.70 2gtf n PHE 18 N -4.35 3.13 -3.75 -3.82 3.72 -0.25 -4.84 117.46 107.29 2gtf n PHE 18 Ca -0.17 -2.90 -0.13 0.00 -0.05 0.00 0.00 57.45 54.19 2gtf n PHE 18 Cb 0.67 -2.27 -0.11 0.00 -0.94 0.00 0.00 39.48 36.83 2gtf n PHE 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2gtf s SER 19 N 2.00 -0.36 0.15 4.37 0.15 -1.26 -4.84 113.70 113.91 2gtf s SER 19 Ca 0.47 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2gtf s SER 19 Cb 0.13 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 2gtf s SER 19 CO -0.05 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2gtf n GLY 20 N 2.86 1.50 3.40 9.45 0.00 -1.26 -4.71 105.19 116.43 2gtf n GLY 20 Ca -0.13 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2gtf n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtf s LYS 21 N 0.00 1.50 0.02 1.61 -2.85 -1.26 -4.61 119.74 114.14 2gtf s LYS 21 Ca 0.00 -1.77 0.08 0.00 -1.00 0.00 0.00 55.97 53.28 2gtf s LYS 21 Cb 0.00 -0.95 -0.03 0.00 -2.06 0.00 0.00 37.83 34.79 2gtf s LYS 21 CO 0.00 -0.04 -0.23 -1.58 0.10 0.00 0.00 175.35 173.61 2gtf s TRP 22 N -3.17 2.43 -0.09 1.78 0.52 0.02 -4.26 118.94 116.17 2gtf s TRP 22 Ca 0.30 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.10 2gtf s TRP 22 Cb 0.05 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 2gtf s TRP 22 CO 0.11 0.12 -0.20 0.71 0.02 0.00 0.00 176.95 177.72 2gtf s TYR 23 N -0.78 2.61 -0.33 -1.98 2.02 0.17 -1.28 117.35 117.78 2gtf s TYR 23 Ca 0.12 -0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 55.84 2gtf s TYR 23 Cb -0.10 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2gtf s TYR 23 CO 0.02 -0.20 1.19 0.08 -1.57 0.00 0.00 175.55 175.07 2gtf s VAL 24 N 0.01 4.29 -0.02 0.71 1.01 -0.50 -1.37 120.40 124.52 2gtf s VAL 24 Ca -0.07 1.46 0.12 0.00 0.00 0.00 0.00 61.98 63.49 2gtf s VAL 24 Cb -0.15 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 31.73 2gtf s VAL 24 CO 0.05 -0.55 0.94 0.71 0.00 0.00 0.00 175.10 176.24 2gtf h THR 25 N 5.91 1.02 -2.91 3.92 1.35 -1.28 -3.43 112.91 117.50 2gtf h THR 25 Ca -0.23 -2.72 -0.14 0.00 -0.55 0.00 0.00 66.41 62.76 2gtf h THR 25 Cb 1.08 2.47 -0.25 0.00 -1.73 0.00 0.00 68.15 69.72 2gtf h THR 25 CO 1.05 0.58 -0.32 -1.00 -0.25 0.00 0.00 175.52 175.58 2gtf s HIS 26 N -2.72 -0.38 0.02 4.73 3.76 -1.21 -0.96 115.29 118.53 2gtf s HIS 26 Ca -0.02 0.92 0.02 0.00 -0.15 0.00 0.00 55.06 55.83 2gtf s HIS 26 Cb 0.09 0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.89 2gtf s HIS 26 CO 0.81 -0.18 -0.07 -0.59 -0.85 0.00 0.00 174.74 173.87 2gtf s PHE 27 N 0.21 0.57 -0.26 1.40 -0.12 -0.66 -0.90 117.98 118.21 2gtf s PHE 27 Ca -0.00 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 56.61 2gtf s PHE 27 Cb -0.03 -0.35 0.06 0.00 -0.63 0.00 0.00 43.02 42.07 2gtf s PHE 27 CO 0.00 -0.05 -0.10 -1.17 -0.05 0.00 0.00 175.22 173.85 2gtf s LEU 28 N -0.86 3.45 -0.24 -1.99 2.96 0.41 -0.51 118.68 121.90 2gtf s LEU 28 Ca -0.04 -1.41 -0.07 0.00 -0.22 0.00 0.00 54.13 52.39 2gtf s LEU 28 Cb -0.06 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2gtf s LEU 28 CO 0.00 -0.20 0.06 -0.62 -1.32 0.00 0.00 176.35 174.27 2gtf s ASP 29 N 1.11 5.10 0.05 3.68 -1.08 -1.26 -2.03 116.67 122.24 2gtf s ASP 29 Ca -0.08 -0.19 -0.27 0.00 -0.52 0.00 0.00 52.55 51.48 2gtf s ASP 29 Cb -0.20 -1.91 -0.17 0.00 -1.46 0.00 0.00 42.92 39.18 2gtf s ASP 29 CO -0.05 -0.01 1.50 0.50 0.52 0.00 0.00 175.17 177.63 2gtf h LYS 30 N 8.02 -0.45 -1.76 4.34 3.64 -1.99 -3.42 116.57 124.94 2gtf h LYS 30 Ca -0.38 0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 58.79 2gtf h LYS 30 Cb 1.17 0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.81 2gtf h LYS 30 CO 0.59 -0.22 -0.58 0.34 -2.27 0.00 0.00 179.45 177.31 2gtf s ASP 31 N -4.89 0.59 0.10 4.20 3.68 -1.26 -5.11 116.67 113.98 2gtf s ASP 31 Ca -0.15 -0.82 -0.30 0.00 2.13 0.00 0.00 52.55 53.40 2gtf s ASP 31 Cb 0.03 0.95 -0.06 0.00 -1.45 0.00 0.00 42.92 42.40 2gtf s ASP 31 CO 0.60 -0.31 1.14 -2.16 0.13 0.00 0.00 175.17 174.57 2gtf s PRO 32 N 2.13 4.50 -0.03 4.34 0.04 -1.26 -4.90 135.00 139.81 2gtf s PRO 32 Ca 0.12 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 2gtf s PRO 32 Cb -0.13 -3.33 -0.21 0.00 0.04 0.00 0.00 34.50 30.88 2gtf s PRO 32 CO -0.20 -0.12 1.16 1.96 0.04 0.00 0.00 177.00 179.84 2gtf h GLN 33 N 6.15 0.13 -6.73 4.56 4.20 -1.99 -3.45 115.11 117.99 2gtf h GLN 33 Ca -0.43 -0.10 -0.50 0.00 0.06 0.00 0.00 58.65 57.68 2gtf h GLN 33 Cb 1.21 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2gtf h GLN 33 CO 0.77 0.73 0.03 0.14 -0.67 0.00 0.00 178.83 179.83 2gtf s VAL 34 N -3.71 4.87 -2.90 -0.54 -7.23 -1.26 -5.01 120.40 104.61 2gtf s VAL 34 Ca -0.16 0.41 0.24 0.00 -1.81 0.00 0.00 61.98 60.66 2gtf s VAL 34 Cb 0.02 -3.74 0.24 0.00 0.56 0.00 0.00 36.38 33.46 2gtf s VAL 34 CO 0.71 -0.47 1.31 0.35 -0.31 0.00 0.00 175.10 176.69 2gtf n THR 35 N -1.23 0.06 -1.91 5.32 -2.24 -1.26 -4.94 114.28 108.08 2gtf n THR 35 Ca 0.01 -0.51 -0.39 0.00 -2.27 0.00 0.00 64.05 60.88 2gtf n THR 35 Cb 0.54 1.37 0.01 0.00 -2.10 0.00 0.00 70.33 70.15 2gtf n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2gtf s ASP 36 N -1.94 5.98 -0.11 3.42 -0.00 -1.26 -5.02 116.67 117.75 2gtf s ASP 36 Ca 0.30 2.78 -0.04 0.00 -0.00 0.00 0.00 52.55 55.59 2gtf s ASP 36 Cb 0.20 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.44 2gtf s ASP 36 CO 0.30 -1.09 0.07 -1.10 -0.00 0.00 0.00 175.17 173.36 2gtf s GLN 37 N -2.43 3.24 0.18 8.23 -1.52 -1.26 -5.02 119.66 121.08 2gtf s GLN 37 Ca 0.61 -0.27 0.10 0.00 -1.95 0.00 0.00 55.36 53.84 2gtf s GLN 37 Cb -0.41 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 2gtf s GLN 37 CO 0.52 0.72 -0.17 0.71 -0.25 0.00 0.00 175.29 176.82 2gtf s TYR 38 N -0.91 2.47 0.18 0.91 1.51 -1.26 -0.51 117.35 119.74 2gtf s TYR 38 Ca 0.14 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 2gtf s TYR 38 Cb -0.12 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 2gtf s TYR 38 CO 0.03 0.49 0.15 0.00 -1.11 0.00 0.00 175.55 175.11 2gtf s SER 40 N -3.22 -0.22 0.00 0.00 0.15 -1.26 -0.73 113.70 108.43 2gtf s SER 40 Ca 0.31 0.21 -0.05 0.00 0.70 0.00 0.00 55.95 57.13 2gtf s SER 40 Cb -0.10 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2gtf s SER 40 CO 0.24 -0.36 0.08 -0.55 1.20 0.00 0.00 173.24 173.85 2gtf s SER 41 N -0.97 0.07 0.18 5.45 0.15 -0.92 -1.41 113.70 116.26 2gtf s SER 41 Ca -0.10 -0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.14 2gtf s SER 41 Cb -0.05 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2gtf s SER 41 CO 0.03 -0.30 0.48 0.72 1.20 0.00 0.00 173.24 175.37 2gtf s PHE 42 N -1.22 -0.09 -0.34 3.44 -0.71 -0.40 -1.22 117.98 117.45 2gtf s PHE 42 Ca -0.13 -0.25 -0.01 0.00 -1.04 0.00 0.00 56.93 55.51 2gtf s PHE 42 Cb -0.07 0.33 0.11 0.00 -1.21 0.00 0.00 43.02 42.18 2gtf s PHE 42 CO 0.01 -0.86 0.15 0.99 -1.34 0.00 0.00 175.22 174.16 2gtf s THR 43 N -3.87 0.75 0.02 -4.49 2.01 -0.28 -0.80 115.64 108.98 2gtf s THR 43 Ca 0.09 -1.59 -0.19 0.00 0.31 0.00 0.00 61.69 60.30 2gtf s THR 43 Cb -0.00 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 2gtf s THR 43 CO -0.04 -0.77 0.56 -2.16 -0.69 0.00 0.00 174.62 171.52 2gtf s PRO 44 N 1.35 4.24 0.06 4.92 0.04 -1.26 -2.81 135.00 141.53 2gtf s PRO 44 Ca 0.12 0.70 0.02 0.00 0.04 0.00 0.00 61.00 61.88 2gtf s PRO 44 Cb -0.19 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2gtf s PRO 44 CO -0.18 0.49 -0.08 1.03 0.04 0.00 0.00 177.00 178.31 2gtf s ARG 45 N -0.59 0.60 -0.00 4.56 1.81 -0.38 -4.16 118.95 120.80 2gtf s ARG 45 Ca 0.29 -0.89 0.02 0.00 -1.72 0.00 0.00 55.73 53.43 2gtf s ARG 45 Cb -0.18 -0.28 -0.01 0.00 -0.45 0.00 0.00 34.95 34.03 2gtf s ARG 45 CO 0.17 0.04 -0.06 -2.00 -0.68 0.00 0.00 175.30 172.77 2gtf s GLU 46 N -2.10 0.45 -0.16 3.54 -6.30 -1.26 -1.01 118.70 111.85 2gtf s GLU 46 Ca -0.05 -0.23 -0.06 0.00 -2.50 0.00 0.00 54.97 52.13 2gtf s GLU 46 Cb -0.06 -0.42 0.07 0.00 0.00 0.00 0.00 34.13 33.72 2gtf s GLU 46 CO -0.01 0.11 0.34 0.45 0.02 0.00 0.00 175.26 176.17 2gtf s SER 47 N -0.22 -0.06 -1.53 -1.70 0.15 -0.03 -4.93 113.70 105.38 2gtf s SER 47 Ca 0.01 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 2gtf s SER 47 Cb -0.03 0.89 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 2gtf s SER 47 CO -0.00 -0.22 0.21 0.47 1.20 0.00 0.00 173.24 174.90 2gtf n ASP 48 N 5.06 -5.37 0.00 5.45 8.00 -1.26 -1.06 116.55 127.37 2gtf n ASP 48 Ca -0.12 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2gtf n ASP 48 Cb 0.51 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 2gtf n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gtf n GLY 49 N -1.13 0.83 3.58 0.44 0.00 -1.26 -5.03 105.19 102.62 2gtf n GLY 49 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2gtf n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtf s THR 50 N -3.28 4.69 -0.17 2.61 2.01 -0.23 -0.77 115.64 120.52 2gtf s THR 50 Ca 0.00 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2gtf s THR 50 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2gtf s THR 50 CO 0.00 0.41 0.12 -0.69 -0.69 0.00 0.00 174.62 173.78 2gtf s VAL 51 N 0.78 5.33 -0.04 3.82 1.01 0.22 -0.85 120.40 130.68 2gtf s VAL 51 Ca 0.04 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2gtf s VAL 51 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2gtf s VAL 51 CO 0.02 0.51 -0.14 -0.75 0.00 0.00 0.00 175.10 174.74 2gtf s LYS 52 N -0.14 1.58 -0.11 2.72 2.47 -0.18 -1.53 119.74 124.54 2gtf s LYS 52 Ca 0.10 -0.50 -0.09 0.00 -1.56 0.00 0.00 55.97 53.92 2gtf s LYS 52 Cb -0.11 -1.37 0.03 0.00 -1.46 0.00 0.00 37.83 34.92 2gtf s LYS 52 CO 0.00 0.17 0.28 -1.83 0.16 0.00 0.00 175.35 174.14 2gtf s GLU 53 N 0.20 0.30 -0.17 4.03 -1.05 -0.51 -1.25 118.70 120.25 2gtf s GLU 53 Ca -0.06 0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 55.03 2gtf s GLU 53 Cb -0.12 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 2gtf s GLU 53 CO 0.02 -0.08 0.55 0.00 0.95 0.00 0.00 175.26 176.71 2gtf s ALA 54 N 0.53 3.51 -0.07 -0.84 0.00 -1.12 -0.24 121.76 123.53 2gtf s ALA 54 Ca -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2gtf s ALA 54 Cb -0.05 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 2gtf s ALA 54 CO -0.03 -0.35 -0.22 -0.51 0.00 0.00 0.00 175.76 174.65 2gtf s LEU 55 N 1.43 2.01 -0.02 0.00 1.43 -0.30 -1.13 118.68 122.11 2gtf s LEU 55 Ca 0.27 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2gtf s LEU 55 Cb -0.16 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2gtf s LEU 55 CO 0.11 0.18 -0.13 -0.47 0.23 0.00 0.00 176.35 176.26 2gtf s TYR 56 N 0.14 1.24 -0.02 0.29 5.04 -0.35 -1.34 117.35 122.34 2gtf s TYR 56 Ca -0.11 -0.26 0.05 0.00 -2.44 0.00 0.00 57.07 54.32 2gtf s TYR 56 Cb -0.15 -0.81 -0.01 0.00 0.35 0.00 0.00 41.96 41.34 2gtf s TYR 56 CO 0.05 -0.04 -0.17 -1.01 -1.34 0.00 0.00 175.55 173.04 2gtf s HIS 57 N -0.22 1.54 -0.17 4.97 3.76 -0.57 -2.16 115.29 122.44 2gtf s HIS 57 Ca 0.03 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2gtf s HIS 57 Cb -0.06 -0.99 0.02 0.00 1.11 0.00 0.00 32.58 32.66 2gtf s HIS 57 CO -0.00 -0.04 -0.17 -0.47 -0.85 0.00 0.00 174.74 173.22 2gtf s TYR 58 N -0.37 2.46 -0.45 1.40 5.04 0.09 -1.12 117.35 124.40 2gtf s TYR 58 Ca 0.06 -1.43 -0.29 0.00 -2.44 0.00 0.00 57.07 52.97 2gtf s TYR 58 Cb -0.07 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.52 2gtf s TYR 58 CO -0.00 -0.74 1.11 1.21 -1.34 0.00 0.00 175.55 175.79 2gtf s ASN 59 N 1.39 6.67 0.46 4.32 3.84 0.68 -0.83 114.94 131.47 2gtf s ASN 59 Ca 0.05 0.54 0.25 0.00 0.21 0.00 0.00 52.86 53.91 2gtf s ASN 59 Cb -0.13 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.01 2gtf s ASN 59 CO -0.12 -1.17 1.85 0.00 -2.79 0.00 0.00 177.10 174.87 2gtf h ALA 60 N 9.02 1.02 0.07 1.71 0.00 -1.10 0.26 119.26 130.25 2gtf h ALA 60 Ca -0.23 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2gtf h ALA 60 Cb 1.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2gtf h ALA 60 CO 1.10 0.24 -0.52 -0.91 0.00 0.00 0.00 179.25 179.16 2gtf h ASN 61 N 0.00 0.33 0.70 0.00 4.21 -1.91 -3.36 115.58 115.55 2gtf h ASN 61 Ca -0.00 -0.92 0.00 0.00 1.21 0.00 0.00 56.30 56.59 2gtf h ASN 61 Cb 0.71 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2gtf h ASN 61 CO 0.02 1.22 -1.09 0.29 -1.29 0.00 0.00 177.43 176.58 2gtf n LYS 62 N -4.30 0.49 -2.91 0.81 4.76 -1.19 -4.97 118.16 110.86 2gtf n LYS 62 Ca -0.12 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.23 2gtf n LYS 62 Cb 0.68 -1.71 0.03 0.00 -1.84 0.00 0.00 35.03 32.20 2gtf n LYS 62 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2gtf n LYS 63 N -2.37 -3.66 -4.48 1.97 5.02 0.91 -5.03 118.16 110.53 2gtf n LYS 63 Ca 0.00 0.49 -0.24 0.00 -2.02 0.00 0.00 58.31 56.55 2gtf n LYS 63 Cb 0.51 -4.49 -0.10 0.00 -0.02 0.00 0.00 35.03 30.93 2gtf n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2gtf s THR 64 N -3.04 2.17 0.05 -0.18 -4.23 -1.21 -4.93 115.64 104.28 2gtf s THR 64 Ca 0.25 -2.27 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 2gtf s THR 64 Cb -0.11 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2gtf s THR 64 CO 0.31 -0.33 -0.09 -0.44 -0.54 0.00 0.00 174.62 173.53 2gtf s SER 65 N -3.51 1.07 0.16 3.99 0.01 -1.26 -0.23 113.70 113.92 2gtf s SER 65 Ca 0.30 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 57.00 2gtf s SER 65 Cb -0.00 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2gtf s SER 65 CO 0.14 -0.19 -0.07 0.72 0.41 0.00 0.00 173.24 174.25 2gtf s PHE 66 N -1.49 1.27 0.00 2.43 -0.12 -0.27 -5.00 117.98 114.80 2gtf s PHE 66 Ca -0.07 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.02 2gtf s PHE 66 Cb -0.09 -0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 41.62 2gtf s PHE 66 CO 0.01 0.01 -0.08 0.71 -0.05 0.00 0.00 175.22 175.82 2gtf s TYR 67 N -3.40 0.75 0.09 3.49 2.02 -1.26 -1.51 117.35 117.53 2gtf s TYR 67 Ca 0.19 -0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 2gtf s TYR 67 Cb 0.04 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2gtf s TYR 67 CO 0.02 -0.01 0.12 -0.80 -1.57 0.00 0.00 175.55 173.30 2gtf s ASN 68 N -0.39 0.24 -0.12 2.29 -0.87 -0.45 -2.14 114.94 113.50 2gtf s ASN 68 Ca 0.02 -0.85 0.00 0.00 -1.57 0.00 0.00 52.86 50.46 2gtf s ASN 68 Cb -0.04 0.31 0.02 0.00 -0.02 0.00 0.00 41.25 41.52 2gtf s ASN 68 CO -0.00 -0.71 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.07 2gtf s ILE 69 N -3.92 1.32 0.08 0.60 1.01 -0.43 -1.15 121.20 118.71 2gtf s ILE 69 Ca 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2gtf s ILE 69 Cb 0.06 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2gtf s ILE 69 CO -0.08 0.41 0.25 -0.83 0.00 0.00 0.00 174.94 174.70 2gtf s GLY 70 N 1.40 2.20 -0.11 6.18 0.00 0.67 0.31 107.32 117.98 2gtf s GLY 70 Ca 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 2gtf s GLY 70 CO -0.07 -0.73 0.23 1.85 0.00 0.00 0.00 173.10 174.39 2gtf s GLU 71 N -2.54 0.16 0.38 2.90 2.12 0.23 -1.43 118.70 120.52 2gtf s GLU 71 Ca 0.37 0.60 -0.12 0.00 0.36 0.00 0.00 54.97 56.17 2gtf s GLU 71 Cb -0.13 -0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.19 2gtf s GLU 71 CO 0.27 -0.22 0.72 0.20 -0.54 0.00 0.00 175.26 175.69 2gtf s GLY 72 N 1.76 0.67 -0.09 -1.50 0.00 -0.58 -1.30 107.32 106.28 2gtf s GLY 72 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 2gtf s GLY 72 CO -0.08 -0.49 0.00 0.54 0.00 0.00 0.00 173.10 173.07 2gtf s LYS 73 N -2.40 3.03 0.35 2.90 -0.14 -1.24 -0.61 119.74 121.63 2gtf s LYS 73 Ca 0.19 -0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 2gtf s LYS 73 Cb -0.04 -2.81 -0.11 0.00 -1.68 0.00 0.00 37.83 33.19 2gtf s LYS 73 CO 0.14 0.68 1.51 -0.51 -0.76 0.00 0.00 175.35 176.40 2gtf s LEU 74 N -0.81 4.33 0.93 3.17 1.43 0.05 -3.88 118.68 123.90 2gtf s LEU 74 Ca 0.12 3.01 -0.12 0.00 -1.03 0.00 0.00 54.13 56.11 2gtf s LEU 74 Cb -0.11 -3.66 0.15 0.00 0.03 0.00 0.00 46.19 42.60 2gtf s LEU 74 CO 0.02 -0.87 1.12 -1.61 0.23 0.00 0.00 176.35 175.24 2gtf s GLU 75 N -1.64 0.99 0.08 1.70 0.41 0.10 -4.94 118.70 115.40 2gtf s GLU 75 Ca 0.55 0.40 0.23 0.00 -0.41 0.00 0.00 54.97 55.74 2gtf s GLU 75 Cb -0.47 -1.81 0.93 0.00 -1.78 0.00 0.00 34.13 31.00 2gtf s GLU 75 CO 0.59 -2.32 1.72 -1.13 -0.49 0.00 0.00 175.26 173.63 2gtf n SER 76 N -3.87 0.26 0.19 -0.19 3.41 -1.26 -3.48 113.62 108.68 2gtf n SER 76 Ca 0.06 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 2gtf n SER 76 Cb 0.58 -0.61 0.34 0.00 -0.26 0.00 0.00 64.21 64.27 2gtf n SER 76 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gtf h SER 77 N 0.00 0.00 0.00 4.04 4.64 -1.93 -3.50 113.55 116.80 2gtf h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gtf h SER 77 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2gtf h SER 77 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2gtf n GLY 78 N 0.90 0.28 3.46 -0.77 0.00 -1.23 -4.76 105.19 103.07 2gtf n GLY 78 Ca 0.04 -1.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 2gtf n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gtf s LEU 79 N 0.00 5.02 -0.20 0.99 1.43 -1.26 -4.18 118.68 120.47 2gtf s LEU 79 Ca 0.00 -2.61 -0.15 0.00 -1.03 0.00 0.00 54.13 50.34 2gtf s LEU 79 Cb 0.00 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.87 2gtf s LEU 79 CO 0.00 -0.88 0.52 -1.58 0.23 0.00 0.00 176.35 174.64 2gtf s GLN 80 N 2.07 0.55 -0.08 1.70 0.74 -1.26 -1.22 119.66 122.17 2gtf s GLN 80 Ca 0.39 0.85 -0.14 0.00 0.05 0.00 0.00 55.36 56.51 2gtf s GLN 80 Cb -0.03 0.16 0.03 0.00 1.10 0.00 0.00 33.01 34.26 2gtf s GLN 80 CO -0.03 -0.12 0.35 1.52 -0.55 0.00 0.00 175.29 176.45 2gtf s TYR 81 N 0.93 -0.30 -0.25 1.67 -0.85 -0.21 -0.72 117.35 117.61 2gtf s TYR 81 Ca -0.05 0.65 -0.08 0.00 -0.52 0.00 0.00 57.07 57.06 2gtf s TYR 81 Cb -0.06 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 2gtf s TYR 81 CO -0.08 -0.30 0.11 0.99 -1.52 0.00 0.00 175.55 174.75 2gtf s THR 82 N -0.55 4.66 -0.07 -3.49 2.01 -1.25 -0.87 115.64 116.08 2gtf s THR 82 Ca -0.07 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2gtf s THR 82 Cb -0.04 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2gtf s THR 82 CO 0.02 0.32 -0.09 0.00 -0.69 0.00 0.00 174.62 174.18 2gtf s ALA 83 N 1.58 2.87 0.42 7.40 0.00 0.91 -3.71 121.76 131.23 2gtf s ALA 83 Ca 0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2gtf s ALA 83 Cb -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2gtf s ALA 83 CO 0.06 0.54 0.65 0.15 0.00 0.00 0.00 175.76 177.15 2gtf s LYS 84 N -0.69 3.32 -0.05 0.00 1.02 -0.42 -1.16 119.74 121.76 2gtf s LYS 84 Ca 0.10 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 2gtf s LYS 84 Cb -0.11 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 2gtf s LYS 84 CO 0.01 -0.10 0.14 1.52 -0.92 0.00 0.00 175.35 176.01 2gtf s TYR 85 N -2.50 -0.16 0.43 3.18 1.13 -1.26 -0.60 117.35 117.56 2gtf s TYR 85 Ca 0.45 0.39 -0.18 0.00 -1.41 0.00 0.00 57.07 56.31 2gtf s TYR 85 Cb -0.10 0.05 -0.10 0.00 -1.10 0.00 0.00 41.96 40.72 2gtf s TYR 85 CO 0.39 -0.08 0.91 0.15 -2.51 0.00 0.00 175.55 174.41 2gtf s LYS 86 N 0.08 4.11 -0.22 -3.49 1.02 0.15 -3.66 119.74 117.73 2gtf s LYS 86 Ca -0.00 0.97 -0.08 0.00 0.02 0.00 0.00 55.97 56.88 2gtf s LYS 86 Cb -0.01 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2gtf s LYS 86 CO 0.00 -0.05 0.09 0.99 -0.92 0.00 0.00 175.35 175.46 2gtf s THR 87 N -2.25 4.74 0.15 2.17 2.01 -0.23 -1.32 115.64 120.91 2gtf s THR 87 Ca 0.59 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2gtf s THR 87 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2gtf s THR 87 CO 0.19 0.39 -0.06 0.68 -0.69 0.00 0.00 174.62 175.12 2gtf s VAL 88 N 0.98 0.94 0.73 3.82 -7.23 -0.91 -0.31 120.40 118.42 2gtf s VAL 88 Ca 0.05 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2gtf s VAL 88 Cb -0.14 -1.91 0.15 0.00 0.56 0.00 0.00 36.38 35.04 2gtf s VAL 88 CO 0.03 -0.68 0.99 -0.90 -0.31 0.00 0.00 175.10 174.23 2gtf n ASP 89 N -0.19 0.88 0.32 4.85 5.68 -0.65 -4.08 116.55 123.34 2gtf n ASP 89 Ca -0.09 -1.85 0.21 0.00 -0.50 0.00 0.00 54.79 52.56 2gtf n ASP 89 Cb 0.61 -0.69 1.05 0.00 -1.14 0.00 0.00 41.12 40.96 2gtf n ASP 89 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gtf h LYS 90 N 0.00 0.00 -0.41 0.11 2.10 -1.97 -0.73 116.57 115.67 2gtf h LYS 90 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2gtf h LYS 90 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2gtf h LYS 90 CO 0.31 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.39 2gtf n LYS 91 N -3.04 2.32 -1.22 0.07 4.76 -1.26 -4.76 118.16 115.02 2gtf n LYS 91 Ca -0.02 -2.02 -0.08 0.00 -2.87 0.00 0.00 58.31 53.33 2gtf n LYS 91 Cb 0.13 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 2gtf n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2gtf n LYS 92 N 1.19 -0.64 -2.30 1.97 5.02 -0.28 -5.02 118.16 118.11 2gtf n LYS 92 Ca 0.19 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.81 2gtf n LYS 92 Cb 0.52 -4.58 -0.03 0.00 -0.02 0.00 0.00 35.03 30.92 2gtf n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gtf s ALA 93 N -2.24 3.46 -0.13 7.82 0.00 -1.26 -4.77 121.76 124.65 2gtf s ALA 93 Ca 0.00 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 2gtf s ALA 93 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2gtf s ALA 93 CO 0.00 -0.42 1.14 0.08 0.00 0.00 0.00 175.76 176.56 2gtf s VAL 94 N -0.55 4.47 -0.21 0.00 1.01 -1.26 -1.64 120.40 122.22 2gtf s VAL 94 Ca 0.51 1.77 -0.13 0.00 0.00 0.00 0.00 61.98 64.13 2gtf s VAL 94 Cb -0.35 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 2gtf s VAL 94 CO 0.42 -0.07 0.07 0.18 0.00 0.00 0.00 175.10 175.70 2gtf n LEU 95 N 5.70 2.22 -3.99 3.92 4.77 0.57 -4.96 117.00 125.24 2gtf n LEU 95 Ca 0.11 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 56.20 2gtf n LEU 95 Cb 0.46 -0.97 -0.15 0.00 -2.33 0.00 0.00 43.42 40.44 2gtf n LEU 95 CO 0.54 0.57 -0.42 -0.54 -1.33 0.00 0.00 177.39 176.21 2gtf s LYS 96 N -2.46 0.62 0.72 3.23 1.02 -0.88 -4.99 119.74 116.99 2gtf s LYS 96 Ca -0.30 -0.26 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 2gtf s LYS 96 Cb 0.08 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.82 2gtf s LYS 96 CO 0.61 0.15 1.09 -1.21 -0.92 0.00 0.00 175.35 175.07 2gtf s GLU 97 N -0.11 2.62 0.40 1.68 0.41 -1.26 -1.06 118.70 121.37 2gtf s GLU 97 Ca 0.02 0.28 -0.27 0.00 -0.41 0.00 0.00 54.97 54.60 2gtf s GLU 97 Cb -0.04 -2.04 -0.10 0.00 -1.78 0.00 0.00 34.13 30.17 2gtf s GLU 97 CO -0.00 -1.14 1.40 0.00 -0.49 0.00 0.00 175.26 175.03 2gtf n ALA 98 N -3.02 1.91 -4.13 5.21 0.00 -1.24 -4.68 120.51 114.55 2gtf n ALA 98 Ca 0.07 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 2gtf n ALA 98 Cb 0.58 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 2gtf n ALA 98 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gtf n ASP 99 N 0.31 2.18 -0.00 0.00 5.68 -1.26 -4.95 116.55 118.50 2gtf n ASP 99 Ca 0.04 -1.60 0.09 0.00 -0.50 0.00 0.00 54.79 52.82 2gtf n ASP 99 Cb 0.39 0.12 -0.13 0.00 -1.14 0.00 0.00 41.12 40.37 2gtf n ASP 99 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2gtf n GLU 100 N -0.33 0.72 0.07 0.11 4.07 -1.26 -4.39 120.64 119.63 2gtf n GLU 100 Ca -0.05 -0.09 0.08 0.00 -0.06 0.00 0.00 57.16 57.03 2gtf n GLU 100 Cb 0.17 -1.42 -0.05 0.00 -0.06 0.00 0.00 31.44 30.09 2gtf n GLU 100 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2gtf n LYS 101 N -1.83 0.62 -3.81 5.31 2.85 -1.26 -4.88 118.16 115.16 2gtf n LYS 101 Ca -0.00 0.11 -0.36 0.00 -1.05 0.00 0.00 58.31 57.00 2gtf n LYS 101 Cb 0.40 -1.78 -0.11 0.00 -0.65 0.00 0.00 35.03 32.89 2gtf n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2gtf s ASN 102 N -5.37 5.54 0.22 -5.58 0.01 -1.26 0.19 114.94 108.69 2gtf s ASN 102 Ca -0.02 -0.05 -0.14 0.00 -0.71 0.00 0.00 52.86 51.94 2gtf s ASN 102 Cb 0.10 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.78 2gtf s ASN 102 CO 0.81 0.04 0.46 -0.94 -1.51 0.00 0.00 177.10 175.97 2gtf s SER 103 N 1.16 -0.12 0.07 -1.22 1.04 -0.91 -4.35 113.70 109.37 2gtf s SER 103 Ca 0.05 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.74 2gtf s SER 103 Cb -0.14 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2gtf s SER 103 CO 0.04 -1.07 -0.10 -0.72 0.98 0.00 0.00 173.24 172.36 2gtf s TYR 104 N -3.96 0.95 -0.18 5.02 1.13 -0.31 -0.99 117.35 119.01 2gtf s TYR 104 Ca 0.17 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.27 2gtf s TYR 104 Cb -0.00 -0.54 0.02 0.00 -1.10 0.00 0.00 41.96 40.34 2gtf s TYR 104 CO 0.04 -0.02 -0.18 0.99 -2.51 0.00 0.00 175.55 173.86 2gtf s THR 105 N -1.84 2.22 -0.18 -3.49 2.01 0.19 -0.07 115.64 114.49 2gtf s THR 105 Ca -0.02 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 2gtf s THR 105 Cb -0.07 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 2gtf s THR 105 CO 0.00 0.53 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.21 2gtf s LEU 106 N 1.28 3.12 -0.16 4.42 0.20 -0.05 -0.97 118.68 126.53 2gtf s LEU 106 Ca 0.04 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.65 2gtf s LEU 106 Cb -0.13 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 2gtf s LEU 106 CO -0.11 0.09 -0.21 -0.89 -0.29 0.00 0.00 176.35 174.94 2gtf s THR 107 N 0.85 2.10 -0.31 3.68 2.01 0.12 -1.04 115.64 123.05 2gtf s THR 107 Ca -0.01 -0.95 -0.22 0.00 0.31 0.00 0.00 61.69 60.83 2gtf s THR 107 Cb -0.14 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 2gtf s THR 107 CO 0.02 0.54 0.71 -0.69 -0.69 0.00 0.00 174.62 174.51 2gtf s VAL 108 N 0.99 4.86 -0.12 3.82 1.01 -0.36 -1.06 120.40 129.55 2gtf s VAL 108 Ca -0.03 0.98 0.17 0.00 0.00 0.00 0.00 61.98 63.10 2gtf s VAL 108 Cb -0.15 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 31.96 2gtf s VAL 108 CO -0.06 -0.22 0.61 0.18 0.00 0.00 0.00 175.10 175.61 2gtf n LEU 109 N 6.06 0.60 -3.53 3.92 4.77 0.28 -1.98 117.00 127.13 2gtf n LEU 109 Ca 0.01 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.09 2gtf n LEU 109 Cb 0.48 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2gtf n LEU 109 CO 0.48 0.25 0.45 -0.70 -1.33 0.00 0.00 177.39 176.54 2gtf s GLU 110 N -2.83 1.03 -0.23 3.23 2.56 -0.94 -4.44 118.70 117.07 2gtf s GLU 110 Ca -0.05 0.28 -0.15 0.00 0.00 0.00 0.00 54.97 55.05 2gtf s GLU 110 Cb 0.08 0.49 0.07 0.00 2.00 0.00 0.00 34.13 36.77 2gtf s GLU 110 CO 0.83 -0.32 0.58 0.00 -0.56 0.00 0.00 175.26 175.79 2gtf s ALA 111 N -1.13 -1.53 0.00 6.30 0.00 -1.26 -1.08 121.76 123.06 2gtf s ALA 111 Ca -0.10 2.00 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2gtf s ALA 111 Cb -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2gtf s ALA 111 CO 0.09 -0.32 0.00 -0.40 0.00 0.00 0.00 175.76 175.13 2gtf n ASP 112 N 4.02 0.47 0.25 0.00 5.68 -0.08 -4.84 116.55 122.06 2gtf n ASP 112 Ca -0.20 -0.39 0.13 0.00 -0.50 0.00 0.00 54.79 53.83 2gtf n ASP 112 Cb 0.57 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.20 2gtf n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2gtf h ASP 113 N 0.00 0.00 0.00 -1.12 3.32 -2.01 -3.30 116.42 113.31 2gtf h ASP 113 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gtf h ASP 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gtf h ASP 113 CO 0.00 0.14 -0.83 -1.54 -1.72 0.00 0.00 179.24 175.29 2gtf n SER 114 N -3.44 3.36 -3.75 6.45 3.41 -1.26 -4.98 113.62 113.40 2gtf n SER 114 Ca -0.01 -0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 2gtf n SER 114 Cb 0.31 1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 65.27 2gtf n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2gtf s SER 115 N -1.97 -0.10 0.13 4.04 0.01 -1.24 -2.81 113.70 111.76 2gtf s SER 115 Ca -0.00 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 2gtf s SER 115 Cb 0.01 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.70 2gtf s SER 115 CO 0.09 -0.84 0.33 0.00 0.41 0.00 0.00 173.24 173.22 2gtf s ALA 116 N -3.85 -0.58 -0.09 1.44 0.00 -0.19 -0.90 121.76 117.59 2gtf s ALA 116 Ca 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2gtf s ALA 116 Cb 0.03 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.82 2gtf s ALA 116 CO -0.09 -0.62 -0.14 -1.17 0.00 0.00 0.00 175.76 173.74 2gtf s LEU 117 N -2.85 1.69 0.10 0.00 2.96 -0.24 -0.61 118.68 119.72 2gtf s LEU 117 Ca 0.06 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2gtf s LEU 117 Cb 0.03 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 2gtf s LEU 117 CO -0.09 0.03 -0.10 0.68 -1.32 0.00 0.00 176.35 175.54 2gtf s VAL 118 N 0.86 0.93 -0.05 1.68 -7.23 -0.61 -0.56 120.40 115.42 2gtf s VAL 118 Ca -0.10 -1.64 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2gtf s VAL 118 Cb -0.15 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 2gtf s VAL 118 CO 0.01 -0.56 -0.23 -2.28 -0.31 0.00 0.00 175.10 171.73 2gtf s HIS 119 N -2.44 2.47 -0.11 2.82 2.46 -0.22 -0.75 115.29 119.51 2gtf s HIS 119 Ca 0.05 -0.55 0.01 0.00 0.47 0.00 0.00 55.06 55.05 2gtf s HIS 119 Cb -0.03 -1.59 0.02 0.00 -0.13 0.00 0.00 32.58 30.85 2gtf s HIS 119 CO -0.00 -0.10 -0.12 0.42 -2.47 0.00 0.00 174.74 172.47 2gtf s ILE 120 N -0.36 1.29 -0.21 0.89 1.01 0.19 -0.70 121.20 123.31 2gtf s ILE 120 Ca 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2gtf s ILE 120 Cb -0.12 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 2gtf s ILE 120 CO 0.02 0.40 -0.05 0.00 0.00 0.00 0.00 174.94 175.31 2gtf s LEU 122 N 1.32 4.24 0.10 0.00 2.96 -0.11 -0.63 118.68 126.56 2gtf s LEU 122 Ca 0.04 0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 2gtf s LEU 122 Cb -0.14 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2gtf s LEU 122 CO -0.02 0.20 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.92 2gtf s ARG 123 N 0.19 0.98 -0.12 1.98 0.52 -0.16 0.78 118.95 123.12 2gtf s ARG 123 Ca 0.10 -1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 2gtf s ARG 123 Cb -0.11 -0.98 0.05 0.00 0.52 0.00 0.00 34.95 34.43 2gtf s ARG 123 CO -0.01 0.20 0.11 -2.00 0.02 0.00 0.00 175.30 173.63 2gtf s GLU 124 N -2.25 0.03 7.32 3.54 2.12 0.01 -2.15 118.70 127.32 2gtf s GLU 124 Ca 0.05 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.59 2gtf s GLU 124 Cb -0.07 -1.08 0.00 0.00 0.26 0.00 0.00 34.13 33.23 2gtf s GLU 124 CO 0.03 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2gtf n GLY 125 N 5.30 3.31 0.00 -1.50 0.00 0.13 -1.73 105.19 110.70 2gtf n GLY 125 Ca -0.05 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.90 2gtf n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gtf n SER 126 N 3.89 0.00 -4.38 1.61 3.41 -1.26 -4.83 113.62 112.06 2gtf n SER 126 Ca 0.00 -1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 57.13 2gtf n SER 126 Cb 0.00 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2gtf n SER 126 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gtf s LYS 127 N -2.00 3.17 -0.00 4.33 -0.14 -0.71 -5.09 119.74 119.30 2gtf s LYS 127 Ca 0.41 -0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 2gtf s LYS 127 Cb 0.19 -2.55 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 2gtf s LYS 127 CO 0.32 0.30 1.37 -0.51 -0.76 0.00 0.00 175.35 176.06 2gtf s ASP 128 N 0.12 6.89 -0.03 2.83 1.01 -1.26 -0.81 116.67 125.41 2gtf s ASP 128 Ca -0.07 2.08 0.16 0.00 0.71 0.00 0.00 52.55 55.43 2gtf s ASP 128 Cb -0.15 -2.56 -0.20 0.00 1.01 0.00 0.00 42.92 41.02 2gtf s ASP 128 CO 0.05 -0.69 0.60 0.18 0.21 0.00 0.00 175.17 175.52 2gtf n LEU 129 N 5.25 0.63 0.00 1.23 4.77 0.23 -4.33 117.00 124.77 2gtf n LEU 129 Ca 0.13 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2gtf n LEU 129 Cb 0.44 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2gtf n LEU 129 CO 0.58 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2gtf n GLY 130 N 1.50 1.53 3.06 -0.72 0.00 -1.08 -4.89 105.19 104.60 2gtf n GLY 130 Ca -0.16 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 2gtf n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gtf s ASP 131 N 0.00 1.97 0.00 1.61 2.15 -1.26 -0.93 116.67 120.21 2gtf s ASP 131 Ca 0.00 -0.33 0.01 0.00 0.43 0.00 0.00 52.55 52.66 2gtf s ASP 131 Cb 0.00 -0.85 -0.01 0.00 -0.30 0.00 0.00 42.92 41.76 2gtf s ASP 131 CO 0.00 0.07 -0.04 -0.22 -0.17 0.00 0.00 175.17 174.80 2gtf s LEU 132 N 0.52 2.04 -0.10 -1.34 2.96 -0.22 -3.60 118.68 118.94 2gtf s LEU 132 Ca -0.13 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 2gtf s LEU 132 Cb -0.15 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2gtf s LEU 132 CO 0.04 0.02 0.14 -0.31 -1.32 0.00 0.00 176.35 174.92 2gtf s TYR 133 N -0.24 3.57 -0.04 5.38 2.02 -0.86 -0.64 117.35 126.53 2gtf s TYR 133 Ca 0.00 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2gtf s TYR 133 Cb -0.02 -1.91 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2gtf s TYR 133 CO -0.00 0.71 -0.04 0.95 -1.57 0.00 0.00 175.55 175.60 2gtf s THR 134 N -1.07 0.51 -0.07 -0.71 -4.23 0.07 -0.44 115.64 109.68 2gtf s THR 134 Ca 0.17 -0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.38 2gtf s THR 134 Cb -0.12 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2gtf s THR 134 CO 0.06 0.22 0.55 -0.69 -0.54 0.00 0.00 174.62 174.23 2gtf s VAL 135 N 0.96 5.08 0.01 2.29 1.01 -0.08 -1.58 120.40 128.10 2gtf s VAL 135 Ca -0.10 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.09 2gtf s VAL 135 Cb -0.14 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2gtf s VAL 135 CO -0.00 0.34 -0.24 -0.76 0.00 0.00 0.00 175.10 174.44 2gtf s LEU 136 N 0.41 2.23 0.20 3.92 1.43 0.22 -0.73 118.68 126.36 2gtf s LEU 136 Ca 0.30 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2gtf s LEU 136 Cb -0.16 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 2gtf s LEU 136 CO 0.14 0.29 0.00 0.42 0.23 0.00 0.00 176.35 177.43 2gtf s THR 137 N -0.74 0.83 -0.99 5.49 -4.23 -0.47 -1.02 115.64 114.49 2gtf s THR 137 Ca 0.11 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2gtf s THR 137 Cb -0.10 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.58 2gtf s THR 137 CO 0.01 -0.38 1.59 1.41 -0.54 0.00 0.00 174.62 176.70 2gtf n HIS 138 N -0.33 0.01 -4.15 3.99 8.25 -1.12 -0.66 115.22 121.21 2gtf n HIS 138 Ca -0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.24 2gtf n HIS 138 Cb 0.64 -0.34 -0.12 0.00 1.12 0.00 0.00 29.99 31.28 2gtf n HIS 138 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2gtf s GLN 139 N -3.00 0.71 0.06 -0.41 1.11 -1.26 -4.68 119.66 112.19 2gtf s GLN 139 Ca 0.12 -0.83 -0.36 0.00 0.01 0.00 0.00 55.36 54.29 2gtf s GLN 139 Cb 0.18 -0.63 -0.16 0.00 -1.01 0.00 0.00 33.01 31.39 2gtf s GLN 139 CO 0.64 0.14 1.43 1.17 0.01 0.00 0.00 175.29 178.68 2gtf n LYS 140 N 1.47 1.35 -1.72 2.91 4.81 -1.26 -1.93 118.16 123.80 2gtf n LYS 140 Ca -0.21 0.49 -0.17 0.00 -0.87 0.00 0.00 58.31 57.55 2gtf n LYS 140 Cb 0.54 -2.16 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 2gtf n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2gtf n ASP 141 N 3.03 -4.57 -4.75 3.14 8.00 -1.26 -4.98 116.55 115.16 2gtf n ASP 141 Ca 0.19 0.33 -0.33 0.00 0.71 0.00 0.00 54.79 55.69 2gtf n ASP 141 Cb 0.21 -4.05 0.07 0.00 -0.02 0.00 0.00 41.12 37.33 2gtf n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gtf s ALA 142 N -2.53 2.28 0.04 2.24 0.00 -0.81 -4.99 121.76 117.98 2gtf s ALA 142 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 2gtf s ALA 142 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2gtf s ALA 142 CO 0.00 -1.61 0.94 -1.21 0.00 0.00 0.00 175.76 173.88 2gtf s GLU 143 N -4.23 4.60 0.57 0.00 0.41 -1.26 -4.92 118.70 113.86 2gtf s GLU 143 Ca 0.68 1.37 -0.21 0.00 -0.41 0.00 0.00 54.97 56.40 2gtf s GLU 143 Cb -0.22 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 2gtf s GLU 143 CO 0.46 0.07 1.32 -2.14 -0.49 0.00 0.00 175.26 174.47 2gtf s PRO 144 N 0.59 3.04 0.78 0.39 0.02 -1.26 -4.98 135.00 133.58 2gtf s PRO 144 Ca 0.49 2.13 -0.12 0.00 0.02 0.00 0.00 61.00 63.51 2gtf s PRO 144 Cb -0.22 -2.15 0.07 0.00 0.02 0.00 0.00 34.50 32.22 2gtf s PRO 144 CO 0.28 -1.23 1.14 -1.54 -0.33 0.00 0.00 177.00 175.32 2gtf s SER 145 N -1.13 4.10 0.26 2.53 1.04 -1.26 -4.83 113.70 114.41 2gtf s SER 145 Ca 0.74 2.10 -0.04 0.00 0.48 0.00 0.00 55.95 59.23 2gtf s SER 145 Cb -0.38 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.53 2gtf s SER 145 CO 0.44 -2.32 1.91 0.00 0.98 0.00 0.00 173.24 174.25 2gtf h ALA 146 N -0.88 1.35 -0.45 5.32 0.00 -1.99 -1.01 119.26 121.60 2gtf h ALA 146 Ca -0.45 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2gtf h ALA 146 Cb 1.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2gtf h ALA 146 CO 0.49 0.55 0.26 -0.22 0.00 0.00 0.00 179.25 180.32 2gtf h LYS 147 N 1.26 0.50 -0.29 0.00 3.64 -1.99 0.11 116.57 119.81 2gtf h LYS 147 Ca 0.40 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 2gtf h LYS 147 Cb 0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2gtf h LYS 147 CO -0.13 0.33 -0.35 0.28 -2.27 0.00 0.00 179.45 177.32 2gtf h VAL 148 N 0.52 1.29 -0.75 2.00 2.07 -1.82 -1.39 116.25 118.17 2gtf h VAL 148 Ca 0.18 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 2gtf h VAL 148 Cb 0.03 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2gtf h VAL 148 CO -0.09 0.48 0.24 0.11 0.02 0.00 0.00 177.57 178.32 2gtf h LYS 149 N 0.55 1.16 -0.59 1.57 1.57 -0.71 -1.37 116.57 118.75 2gtf h LYS 149 Ca 0.06 -0.25 0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2gtf h LYS 149 Cb 0.85 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 2gtf h LYS 149 CO 0.07 0.98 0.28 0.77 -0.57 0.00 0.00 179.45 180.98 2gtf h SER 150 N 1.11 0.36 -0.97 0.86 0.02 -0.55 -2.71 113.55 111.66 2gtf h SER 150 Ca 0.24 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 2gtf h SER 150 Cb 0.30 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 2gtf h SER 150 CO -0.01 0.23 0.62 0.00 -1.14 0.00 0.00 176.83 176.54 2gtf h ALA 151 N 1.35 1.38 -0.05 3.77 0.00 -0.49 -0.84 119.26 124.38 2gtf h ALA 151 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2gtf h ALA 151 Cb 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2gtf h ALA 151 CO -0.22 0.35 0.02 0.28 0.00 0.00 0.00 179.25 179.68 2gtf h VAL 152 N 1.08 0.99 -0.67 0.00 2.07 -0.98 -0.31 116.25 118.44 2gtf h VAL 152 Ca 0.44 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.93 2gtf h VAL 152 Cb 0.26 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2gtf h VAL 152 CO -0.20 0.01 0.36 0.74 0.02 0.00 0.00 177.57 178.49 2gtf h THR 153 N 0.05 1.20 0.00 2.57 2.02 -1.20 -2.54 112.91 115.00 2gtf h THR 153 Ca 0.02 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2gtf h THR 153 Cb 0.01 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2gtf h THR 153 CO -0.02 0.23 0.00 1.56 0.37 0.00 0.00 175.52 177.66 2gtf h GLN 154 N 0.93 0.00 0.00 6.66 1.08 -0.84 -2.16 115.11 120.78 2gtf h GLN 154 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2gtf h GLN 154 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2gtf h GLN 154 CO -0.04 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.84 2gtf n ALA 155 N -2.01 2.46 -1.07 3.87 0.00 -0.16 -4.91 120.51 118.69 2gtf n ALA 155 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2gtf n ALA 155 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2gtf n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gtf n GLY 156 N 0.87 0.42 3.78 0.00 0.00 -0.81 -5.07 105.19 104.37 2gtf n GLY 156 Ca 0.17 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 2gtf n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gtf s LEU 157 N 0.00 3.21 -0.19 0.99 1.43 -0.99 -5.04 118.68 118.09 2gtf s LEU 157 Ca 0.00 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 2gtf s LEU 157 Cb 0.00 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2gtf s LEU 157 CO 0.00 -0.57 -0.15 -1.10 0.23 0.00 0.00 176.35 174.76 2gtf s GLN 158 N -3.98 2.44 0.47 1.70 -0.21 -1.26 -4.00 119.66 114.82 2gtf s GLN 158 Ca 0.43 -0.83 0.14 0.00 0.02 0.00 0.00 55.36 55.12 2gtf s GLN 158 Cb 0.01 -2.45 1.11 0.00 1.00 0.00 0.00 33.01 32.68 2gtf s GLN 158 CO 0.24 -0.33 2.07 1.25 -2.12 0.00 0.00 175.29 176.41 2gtf h LEU 159 N 7.96 0.22 -2.32 2.90 5.85 -1.94 -0.69 115.31 127.29 2gtf h LEU 159 Ca -0.35 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2gtf h LEU 159 Cb 1.11 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2gtf h LEU 159 CO 0.54 0.15 0.01 0.77 -0.34 0.00 0.00 178.44 179.58 2gtf h SER 160 N 0.26 0.00 0.97 1.25 4.64 -2.03 -1.43 113.55 117.21 2gtf h SER 160 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2gtf h SER 160 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2gtf h SER 160 CO -0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.78 2gtf n GLN 161 N -4.05 0.07 -1.89 4.77 6.02 -0.27 -4.84 117.38 117.19 2gtf n GLN 161 Ca -0.03 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 2gtf n GLN 161 Cb 0.10 -1.57 0.04 0.00 1.02 0.00 0.00 30.24 29.83 2gtf n GLN 161 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gtf s PHE 162 N -3.03 2.62 -0.17 1.08 0.40 -0.54 -4.92 117.98 113.41 2gtf s PHE 162 Ca 0.12 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.71 2gtf s PHE 162 Cb 0.17 -3.21 -0.00 0.00 0.51 0.00 0.00 43.02 40.49 2gtf s PHE 162 CO 0.59 -1.69 1.01 0.08 0.70 0.00 0.00 175.22 175.91 2gtf s VAL 163 N -2.17 4.74 -0.05 -0.44 1.01 0.33 -4.87 120.40 118.94 2gtf s VAL 163 Ca 0.69 2.00 -0.28 0.00 0.00 0.00 0.00 61.98 64.39 2gtf s VAL 163 Cb -0.22 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2gtf s VAL 163 CO 0.38 -0.09 0.91 -0.83 0.00 0.00 0.00 175.10 175.47 2gtf s GLY 164 N 1.16 2.66 0.07 4.51 0.00 -1.26 -1.65 107.32 112.80 2gtf s GLY 164 Ca 0.45 0.37 0.27 0.00 0.00 0.00 0.00 44.72 45.81 2gtf s GLY 164 CO 0.12 1.62 1.86 -1.30 0.00 0.00 0.00 173.10 175.39 2gtf n THR 165 N 4.08 0.24 -0.28 0.90 -2.24 -0.13 -3.73 114.28 113.11 2gtf n THR 165 Ca 0.05 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2gtf n THR 165 Cb 0.50 -0.56 0.15 0.00 -2.10 0.00 0.00 70.33 68.32 2gtf n THR 165 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2gtf h LYS 166 N 0.00 0.77 0.00 -0.78 3.64 -1.91 -1.06 116.57 117.23 2gtf h LYS 166 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2gtf h LYS 166 Cb 0.55 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2gtf h LYS 166 CO 0.00 0.51 0.00 -0.25 -2.27 0.00 0.00 179.45 177.44 2gtf n ASP 167 N -4.74 0.19 -0.00 4.20 8.00 -1.24 -3.62 116.55 119.34 2gtf n ASP 167 Ca 0.12 0.54 0.13 0.00 0.71 0.00 0.00 54.79 56.30 2gtf n ASP 167 Cb 0.23 -0.58 0.50 0.00 -0.02 0.00 0.00 41.12 41.25 2gtf n ASP 167 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2gtf n LEU 168 N -1.70 0.17 -1.41 0.64 4.77 -0.40 -4.91 117.00 114.15 2gtf n LEU 168 Ca 0.04 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.28 2gtf n LEU 168 Cb 0.21 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2gtf n LEU 168 CO 0.17 0.04 0.06 0.61 -1.33 0.00 0.00 177.39 176.94 2gtf n GLY 169 N 1.50 0.47 3.69 -0.72 0.00 -1.24 -4.86 105.19 104.03 2gtf n GLY 169 Ca 0.07 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2gtf n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gtf s GLN 171 N -2.83 2.10 0.21 0.00 -1.52 -1.26 -5.14 119.66 111.22 2gtf s GLN 171 Ca 0.74 -0.76 0.10 0.00 -1.95 0.00 0.00 55.36 53.48 2gtf s GLN 171 Cb -0.43 -1.83 -0.04 0.00 -0.22 0.00 0.00 33.01 30.49 2gtf s GLN 171 CO 0.48 0.34 -0.10 0.71 -0.25 0.00 0.00 175.29 176.47 2gtf s TYR 172 N -0.14 2.57 -0.64 0.91 2.02 -1.26 -4.78 117.35 116.02 2gtf s TYR 172 Ca -0.02 -0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2gtf s TYR 172 Cb -0.12 -1.21 0.16 0.00 -0.40 0.00 0.00 41.96 40.39 2gtf s TYR 172 CO 0.02 0.56 0.44 0.34 -1.57 0.00 0.00 175.55 175.35 2gtf s ASP 173 N -3.09 5.03 0.42 2.29 -1.08 -1.26 -4.96 116.67 114.03 2gtf s ASP 173 Ca 0.27 -3.13 0.28 0.00 -0.52 0.00 0.00 52.55 49.45 2gtf s ASP 173 Cb -0.08 -1.78 0.93 0.00 -1.46 0.00 0.00 42.92 40.54 2gtf s ASP 173 CO 0.16 -0.27 1.80 0.44 0.52 0.00 0.00 175.17 177.81 2gtf h ASP 174 N 6.57 0.00 -0.33 -0.34 3.32 -1.98 -2.50 116.42 121.16 2gtf h ASP 174 Ca 0.01 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2gtf h ASP 174 Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 2gtf h ASP 174 CO 0.72 0.00 -0.10 1.56 -1.72 0.00 0.00 179.24 179.70 2gtf h GLN 175 N 0.00 0.65 -0.67 3.56 7.50 -1.93 -1.96 115.11 122.26 2gtf h GLN 175 Ca 0.00 -0.26 -0.00 0.00 0.50 0.00 0.00 58.65 58.89 2gtf h GLN 175 Cb 0.66 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.12 2gtf h GLN 175 CO 0.00 0.84 0.41 0.35 -1.50 0.00 0.00 178.83 178.93 2gtf h PHE 176 N 0.42 0.88 -0.01 2.96 3.57 -1.75 -2.87 116.94 120.15 2gtf h PHE 176 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2gtf h PHE 176 Cb 0.61 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2gtf h PHE 176 CO 0.05 0.59 -0.19 0.25 -2.23 0.00 0.00 178.31 176.78 2gtf n THR 177 N -4.57 0.00 -2.69 4.41 -2.24 -1.13 -4.76 114.28 103.30 2gtf n THR 177 Ca 0.05 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 2gtf n THR 177 Cb 0.05 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 2gtf n THR 177 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2gtf s SER 178 N -2.50 7.13 0.00 3.42 0.01 -0.74 -4.72 113.70 116.30 2gtf s SER 178 Ca 0.26 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2gtf s SER 178 Cb 0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2gtf s SER 178 CO 0.50 -0.58 0.00 0.18 0.41 0.00 0.00 173.24 173.75