#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2t s HIS 8 N 0.00 0.05 0.32 -1.77 5.65 -1.26 -5.12 115.29 113.16 1a2t s HIS 8 Ca 0.00 0.04 -0.15 0.00 0.25 0.00 0.00 55.06 55.20 1a2t s HIS 8 Cb 0.00 -0.13 -0.09 0.00 -1.18 0.00 0.00 32.58 31.18 1a2t s HIS 8 CO 0.00 -0.04 0.74 0.15 -0.65 0.00 0.00 174.74 174.94 1a2t s LYS 9 N 0.46 4.02 -0.00 2.88 1.02 -1.26 -4.30 119.74 122.56 1a2t s LYS 9 Ca -0.04 0.69 0.01 0.00 0.02 0.00 0.00 55.97 56.65 1a2t s LYS 9 Cb -0.06 -2.45 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1a2t s LYS 9 CO -0.01 0.17 -0.02 -1.21 -0.92 0.00 0.00 175.35 173.36 1a2t s GLU 10 N -2.92 0.16 0.63 1.68 2.02 -0.08 -4.95 118.70 115.25 1a2t s GLU 10 Ca 0.54 -0.08 -0.17 0.00 0.02 0.00 0.00 54.97 55.28 1a2t s GLU 10 Cb -0.11 -0.15 -0.01 0.00 0.10 0.00 0.00 34.13 33.96 1a2t s GLU 10 CO 0.18 0.04 1.16 -2.14 0.02 0.00 0.00 175.26 174.52 1a2t s PRO 11 N -0.07 2.82 0.23 0.39 0.02 -1.26 -0.44 135.00 136.69 1a2t s PRO 11 Ca 0.01 1.65 -0.14 0.00 0.02 0.00 0.00 61.00 62.54 1a2t s PRO 11 Cb -0.01 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1a2t s PRO 11 CO -0.00 -1.29 0.48 0.00 -0.33 0.00 0.00 177.00 175.86 1a2t s ALA 12 N -1.92 -0.40 -0.07 -1.55 0.00 -0.83 -4.69 121.76 112.30 1a2t s ALA 12 Ca 0.73 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1a2t s ALA 12 Cb -0.26 0.99 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1a2t s ALA 12 CO 0.37 -0.83 -0.08 0.99 0.00 0.00 0.00 175.76 176.20 1a2t s THR 13 N -3.98 0.92 0.17 0.00 2.01 -0.69 -4.26 115.64 109.82 1a2t s THR 13 Ca 0.19 -0.31 -0.32 0.00 0.31 0.00 0.00 61.69 61.56 1a2t s THR 13 Cb -0.01 -0.90 -0.11 0.00 0.01 0.00 0.00 72.50 71.50 1a2t s THR 13 CO 0.06 0.32 1.67 -0.22 -0.69 0.00 0.00 174.62 175.76 1a2t s LEU 14 N 1.09 4.37 -0.20 4.42 1.98 -1.26 0.14 118.68 129.22 1a2t s LEU 14 Ca -0.07 2.73 -0.09 0.00 -2.89 0.00 0.00 54.13 53.80 1a2t s LEU 14 Cb -0.14 -3.59 -0.09 0.00 0.66 0.00 0.00 46.19 43.03 1a2t s LEU 14 CO -0.01 -0.91 -0.25 -0.38 -1.89 0.00 0.00 176.35 172.91 1a2t n ILE 15 N 4.13 1.09 -3.60 6.68 5.41 -0.26 -4.83 119.36 127.98 1a2t n ILE 15 Ca 0.15 -0.29 -0.03 0.00 1.00 0.00 0.00 62.75 63.59 1a2t n ILE 15 Cb 0.37 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.51 1a2t n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1a2t s LYS 16 N -2.36 0.49 -0.06 0.38 2.20 -0.78 -4.99 119.74 114.61 1a2t s LYS 16 Ca -0.28 0.97 -0.28 0.00 -0.36 0.00 0.00 55.97 56.03 1a2t s LYS 16 Cb 0.10 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1a2t s LYS 16 CO 0.35 -0.12 0.89 0.00 -0.36 0.00 0.00 175.35 176.11 1a2t s ALA 17 N 1.91 3.30 -0.24 3.13 0.00 -1.26 -0.13 121.76 128.47 1a2t s ALA 17 Ca -0.08 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 1a2t s ALA 17 Cb -0.06 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 1a2t s ALA 17 CO -0.18 -0.33 -0.18 -0.89 0.00 0.00 0.00 175.76 174.19 1a2t n ILE 18 N 4.12 1.52 -2.92 0.00 5.41 -0.48 -4.96 119.36 122.05 1a2t n ILE 18 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1a2t n ILE 18 Cb 0.50 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 1a2t n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a2t n ASP 19 N -4.35 0.00 -0.23 4.38 5.75 -0.68 -4.99 116.55 116.43 1a2t n ASP 19 Ca -0.41 -0.61 0.09 0.00 -0.01 0.00 0.00 54.79 53.85 1a2t n ASP 19 Cb 0.75 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 41.21 1a2t n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1a2t h GLY 20 N 0.00 1.08 0.00 6.12 0.00 -1.82 -3.26 103.07 105.19 1a2t h GLY 20 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1a2t h GLY 20 CO 0.00 0.16 0.00 2.09 0.00 0.00 0.00 176.54 178.79 1a2t n ASP 21 N -4.52 1.18 -4.23 0.19 5.68 -1.26 -4.80 116.55 108.80 1a2t n ASP 21 Ca 0.14 -1.24 -0.17 0.00 -0.50 0.00 0.00 54.79 53.02 1a2t n ASP 21 Cb 0.36 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.23 1a2t n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a2t s THR 22 N -0.24 1.26 -0.06 2.12 2.01 -1.23 -1.44 115.64 118.06 1a2t s THR 22 Ca 0.00 -1.70 0.03 0.00 0.31 0.00 0.00 61.69 60.34 1a2t s THR 22 Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1a2t s THR 22 CO 0.00 -0.44 -0.16 -0.54 -0.69 0.00 0.00 174.62 172.79 1a2t s LYS 24 N -2.67 1.92 0.08 4.92 1.02 0.81 -1.38 119.74 124.44 1a2t s LYS 24 Ca 0.08 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1a2t s LYS 24 Cb -0.05 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1a2t s LYS 24 CO 0.02 0.14 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.97 1a2t s LEU 25 N 0.36 2.33 -0.37 3.17 1.43 0.29 -1.10 118.68 124.79 1a2t s LEU 25 Ca -0.11 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.11 1a2t s LEU 25 Cb -0.14 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1a2t s LEU 25 CO 0.04 -0.18 0.59 -0.32 0.23 0.00 0.00 176.35 176.71 1a2t s MET 26 N -2.15 3.58 -0.13 1.70 -2.45 0.12 -1.17 119.30 118.79 1a2t s MET 26 Ca -0.01 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.33 1a2t s MET 26 Cb -0.07 -3.84 0.02 0.00 1.25 0.00 0.00 34.83 32.19 1a2t s MET 26 CO 0.01 -0.75 -0.15 -0.47 1.05 0.00 0.00 175.02 174.71 1a2t s TYR 27 N 2.60 2.10 -1.38 4.11 5.04 0.30 -1.70 117.35 128.42 1a2t s TYR 27 Ca 0.22 -1.12 -0.09 0.00 -2.44 0.00 0.00 57.07 53.64 1a2t s TYR 27 Cb -0.15 -1.54 0.01 0.00 0.35 0.00 0.00 41.96 40.64 1a2t s TYR 27 CO 0.15 -0.60 1.15 1.63 -1.34 0.00 0.00 175.55 176.53 1a2t n LYS 28 N 4.57 -7.73 -2.11 4.97 4.01 -1.26 -1.68 118.16 118.93 1a2t n LYS 28 Ca -0.18 0.83 -0.15 0.00 -0.51 0.00 0.00 58.31 58.30 1a2t n LYS 28 Cb 0.50 -5.87 -0.02 0.00 -0.51 0.00 0.00 35.03 29.14 1a2t n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a2t n GLY 29 N -1.98 0.12 2.80 0.72 0.00 -1.26 -5.00 105.19 100.59 1a2t n GLY 29 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1a2t n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a2t s GLN 30 N -4.44 -0.00 0.17 1.61 2.00 -0.67 -5.13 119.66 113.19 1a2t s GLN 30 Ca 0.00 0.31 -0.30 0.00 -2.00 0.00 0.00 55.36 53.37 1a2t s GLN 30 Cb 0.00 -0.27 -0.07 0.00 0.80 0.00 0.00 33.01 33.46 1a2t s GLN 30 CO 0.00 -0.21 1.08 -1.25 -0.50 0.00 0.00 175.29 174.41 1a2t s PRO 31 N 1.40 4.61 0.05 1.67 0.04 -1.26 -0.54 135.00 140.97 1a2t s PRO 31 Ca -0.06 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 1a2t s PRO 31 Cb -0.12 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1a2t s PRO 31 CO -0.04 0.10 0.53 0.00 0.04 0.00 0.00 177.00 177.63 1a2t s MET 32 N -0.33 1.06 0.12 4.56 0.23 -0.32 -4.94 119.30 119.67 1a2t s MET 32 Ca 0.49 -0.24 -0.18 0.00 -1.03 0.00 0.00 55.69 54.73 1a2t s MET 32 Cb -0.29 0.48 -0.07 0.00 -1.53 0.00 0.00 34.83 33.43 1a2t s MET 32 CO 0.34 -0.39 0.58 -0.08 -2.03 0.00 0.00 175.02 173.44 1a2t s THR 33 N -2.53 4.76 0.10 3.16 -1.32 -1.26 -0.55 115.64 118.00 1a2t s THR 33 Ca -0.05 1.09 0.09 0.00 -1.21 0.00 0.00 61.69 61.61 1a2t s THR 33 Cb -0.01 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 1a2t s THR 33 CO -0.02 0.41 -0.20 -0.36 -2.21 0.00 0.00 174.62 172.24 1a2t s PHE 34 N -1.28 2.49 -0.08 9.09 0.40 -1.26 -1.04 117.98 126.30 1a2t s PHE 34 Ca 0.34 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1a2t s PHE 34 Cb -0.18 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.01 1a2t s PHE 34 CO 0.19 0.34 -0.15 0.50 0.70 0.00 0.00 175.22 176.80 1a2t s ARG 35 N -1.94 2.06 0.19 0.44 6.06 0.73 -4.30 118.95 122.19 1a2t s ARG 35 Ca 0.16 -0.53 -0.31 0.00 -2.50 0.00 0.00 55.73 52.55 1a2t s ARG 35 Cb -0.10 -1.68 -0.10 0.00 0.06 0.00 0.00 34.95 33.13 1a2t s ARG 35 CO 0.08 0.03 1.51 -0.51 -2.50 0.00 0.00 175.30 173.92 1a2t s LEU 36 N 0.69 4.37 0.48 -0.88 1.43 -0.52 -2.90 118.68 121.35 1a2t s LEU 36 Ca -0.13 2.61 -0.21 0.00 -1.03 0.00 0.00 54.13 55.36 1a2t s LEU 36 Cb -0.16 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 1a2t s LEU 36 CO 0.03 -0.77 1.11 -0.76 0.23 0.00 0.00 176.35 176.19 1a2t s LEU 37 N 0.69 3.91 -0.31 1.79 1.43 -0.18 -4.05 118.68 121.96 1a2t s LEU 37 Ca 0.66 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1a2t s LEU 37 Cb -0.43 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.38 1a2t s LEU 37 CO 0.35 -0.92 0.00 0.18 0.23 0.00 0.00 176.35 176.19 1a2t n LEU 38 N -0.79 0.62 -4.19 1.79 4.77 -1.26 -4.94 117.00 112.99 1a2t n LEU 38 Ca 0.09 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1a2t n LEU 38 Cb 0.50 -2.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.01 1a2t n LEU 38 CO 0.44 -0.98 -0.26 0.68 -1.33 0.00 0.00 177.39 175.93 1a2t s VAL 39 N -1.22 0.10 -0.22 4.08 -7.23 -1.22 -1.65 120.40 113.05 1a2t s VAL 39 Ca 0.00 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1a2t s VAL 39 Cb 0.00 -2.33 0.11 0.00 0.56 0.00 0.00 36.38 34.71 1a2t s VAL 39 CO 0.00 -0.19 0.27 -0.62 -0.31 0.00 0.00 175.10 174.25 1a2t s ASP 40 N -3.13 1.04 0.39 4.85 2.15 -0.02 -4.62 116.67 117.32 1a2t s ASP 40 Ca 0.33 -0.09 -0.10 0.00 0.43 0.00 0.00 52.55 53.11 1a2t s ASP 40 Cb 0.07 0.60 -0.06 0.00 -0.30 0.00 0.00 42.92 43.23 1a2t s ASP 40 CO 0.08 -0.32 0.74 0.42 -0.17 0.00 0.00 175.17 175.93 1a2t s THR 41 N 2.39 4.81 0.69 1.71 -4.23 -1.26 -2.40 115.64 117.35 1a2t s THR 41 Ca 0.09 0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 61.01 1a2t s THR 41 Cb -0.16 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1a2t s THR 41 CO -0.13 -0.48 1.24 -2.84 -0.54 0.00 0.00 174.62 171.87 1a2t s PRO 42 N -3.76 2.34 0.38 3.99 0.02 -1.26 -4.91 135.00 131.80 1a2t s PRO 42 Ca 0.51 1.90 -0.25 0.00 0.02 0.00 0.00 61.00 63.17 1a2t s PRO 42 Cb -0.10 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1a2t s PRO 42 CO 0.30 -1.71 1.10 -2.00 -0.33 0.00 0.00 177.00 174.36 1a2t s GLU 43 N -3.65 4.18 0.00 5.54 2.56 -1.26 -4.55 118.70 121.52 1a2t s GLU 43 Ca 0.78 1.67 0.00 0.00 0.00 0.00 0.00 54.97 57.42 1a2t s GLU 43 Cb -0.33 -2.68 0.00 0.00 2.00 0.00 0.00 34.13 33.13 1a2t s GLU 43 CO 0.42 -0.16 0.02 0.25 -0.56 0.00 0.00 175.26 175.23 1a2t n THR 44 N 0.15 0.00 -0.06 -1.70 -2.24 -1.26 -0.91 114.28 108.26 1a2t n THR 44 Ca 0.04 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1a2t n THR 44 Cb 0.48 1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 1a2t n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a2t n LYS 45 N -0.09 0.30 -2.29 -0.78 4.76 -1.26 -4.73 118.16 114.07 1a2t n LYS 45 Ca 0.00 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 55.11 1a2t n LYS 45 Cb 0.06 -1.11 -0.02 0.00 -1.84 0.00 0.00 35.03 32.12 1a2t n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1a2t s HIS 46 N -2.25 2.60 0.47 2.13 2.46 -1.26 -4.93 115.29 114.51 1a2t s HIS 46 Ca -0.18 0.76 0.15 0.00 0.47 0.00 0.00 55.06 56.26 1a2t s HIS 46 Cb 0.06 -3.63 1.12 0.00 -0.13 0.00 0.00 32.58 29.99 1a2t s HIS 46 CO 0.26 -2.36 2.04 -1.35 -2.47 0.00 0.00 174.74 170.86 1a2t h PRO 47 N 8.56 0.26 0.00 2.88 0.11 -1.95 0.44 132.00 142.30 1a2t h PRO 47 Ca -0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1a2t h PRO 47 Cb 1.13 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1a2t h PRO 47 CO 0.96 0.17 -0.04 -0.22 -0.21 0.00 0.00 178.00 178.66 1a2t h LYS 48 N 0.27 0.00 0.00 1.05 3.11 -2.04 -2.96 116.57 115.99 1a2t h LYS 48 Ca 0.18 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.97 1a2t h LYS 48 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1a2t h LYS 48 CO -0.04 0.04 -1.43 1.63 -2.81 0.00 0.00 179.45 176.84 1a2t n LYS 49 N -3.78 1.15 -0.07 1.90 5.02 -0.17 -5.12 118.16 117.09 1a2t n LYS 49 Ca -0.03 -0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.22 1a2t n LYS 49 Cb 0.13 -1.20 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1a2t n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a2t n GLY 50 N 2.21 -1.57 3.52 0.72 0.00 0.14 -4.40 105.19 105.80 1a2t n GLY 50 Ca -0.06 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1a2t n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2t s VAL 51 N -0.16 4.30 0.55 1.61 1.01 -1.26 -4.12 120.40 122.33 1a2t s VAL 51 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1a2t s VAL 51 Cb 0.00 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1a2t s VAL 51 CO 0.00 -1.23 1.03 -1.61 0.00 0.00 0.00 175.10 173.29 1a2t s GLU 52 N 4.17 3.60 0.12 2.72 2.02 -0.08 -4.96 118.70 126.28 1a2t s GLU 52 Ca 0.31 1.18 -0.33 0.00 0.02 0.00 0.00 54.97 56.14 1a2t s GLU 52 Cb -0.12 -2.08 -0.13 0.00 0.10 0.00 0.00 34.13 31.91 1a2t s GLU 52 CO 0.18 -0.58 1.71 1.17 0.02 0.00 0.00 175.26 177.76 1a2t n LYS 53 N -1.65 2.41 -0.46 1.61 3.00 -1.26 -1.10 118.16 120.70 1a2t n LYS 53 Ca 0.08 0.87 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 1a2t n LYS 53 Cb 0.53 -2.70 0.00 0.00 0.00 0.00 0.00 35.03 32.87 1a2t n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a2t n TYR 54 N 4.52 0.00 0.18 5.64 4.01 -1.26 -4.79 117.16 125.46 1a2t n TYR 54 Ca 0.18 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.78 1a2t n TYR 54 Cb 0.32 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 1a2t n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1a2t h GLY 55 N 0.00 -0.59 0.94 2.72 0.00 -1.35 0.11 103.07 104.90 1a2t h GLY 55 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.66 1a2t h GLY 55 CO 0.00 -0.24 0.66 -2.55 0.00 0.00 0.00 176.54 174.42 1a2t h PRO 56 N -0.56 1.28 -0.59 4.80 0.11 -1.88 -1.13 132.00 134.04 1a2t h PRO 56 Ca -0.01 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1a2t h PRO 56 Cb 0.52 -0.29 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1a2t h PRO 56 CO -0.06 0.85 0.21 0.93 -0.21 0.00 0.00 178.00 179.72 1a2t h GLU 57 N 1.32 0.89 -0.48 1.05 3.07 -1.85 -1.34 114.58 117.23 1a2t h GLU 57 Ca 0.39 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1a2t h GLU 57 Cb -0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 1a2t h GLU 57 CO -0.10 0.78 0.07 0.00 -1.40 0.00 0.00 179.01 178.35 1a2t h ALA 58 N 1.07 0.64 -0.50 3.43 0.00 -0.34 -1.80 119.26 121.75 1a2t h ALA 58 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a2t h ALA 58 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1a2t h ALA 58 CO -0.01 0.38 0.29 0.77 0.00 0.00 0.00 179.25 180.67 1a2t h SER 59 N 0.67 0.62 -0.72 0.00 0.02 -1.00 -1.67 113.55 111.46 1a2t h SER 59 Ca 0.14 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1a2t h SER 59 Cb 0.41 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1a2t h SER 59 CO 0.01 0.52 0.26 0.00 -1.14 0.00 0.00 176.83 176.47 1a2t h ALA 60 N 1.13 0.94 0.11 3.77 0.00 -1.08 -0.51 119.26 123.63 1a2t h ALA 60 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a2t h ALA 60 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1a2t h ALA 60 CO -0.03 0.60 -0.05 0.35 0.00 0.00 0.00 179.25 180.11 1a2t h PHE 61 N 1.05 -0.14 -0.34 0.00 3.04 -1.07 -1.36 116.94 118.12 1a2t h PHE 61 Ca 0.24 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1a2t h PHE 61 Cb 0.26 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1a2t h PHE 61 CO 0.02 -0.01 0.22 1.15 -2.02 0.00 0.00 178.31 177.67 1a2t h THR 62 N -0.23 1.09 -0.08 4.41 2.02 -1.14 -1.75 112.91 117.23 1a2t h THR 62 Ca -0.02 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1a2t h THR 62 Cb 0.19 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1a2t h THR 62 CO 0.02 0.09 -0.13 0.50 0.37 0.00 0.00 175.52 176.38 1a2t h LYS 63 N 0.46 -0.17 -0.42 6.66 3.64 -1.00 0.14 116.57 125.88 1a2t h LYS 63 Ca 0.12 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1a2t h LYS 63 Cb -0.04 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1a2t h LYS 63 CO -0.03 -0.11 0.21 0.87 -2.27 0.00 0.00 179.45 178.12 1a2t h LYS 64 N -0.18 0.41 -0.21 1.90 6.56 -1.07 0.54 116.57 124.51 1a2t h LYS 64 Ca 0.07 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1a2t h LYS 64 Cb 0.28 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1a2t h LYS 64 CO -0.19 0.27 0.12 1.98 -2.06 0.00 0.00 179.45 179.58 1a2t h MET 65 N 0.42 0.30 0.03 3.15 4.05 -0.67 -2.25 114.93 119.96 1a2t h MET 65 Ca 0.18 -0.03 -0.21 0.00 -0.28 0.00 0.00 59.70 59.36 1a2t h MET 65 Cb 0.09 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1a2t h MET 65 CO -0.13 0.26 -0.99 -0.39 0.23 0.00 0.00 176.91 175.89 1a2t h VAL 66 N 0.25 1.60 0.00 -5.77 -1.51 -0.54 -3.20 116.25 107.08 1a2t h VAL 66 Ca 0.08 -3.04 -0.08 0.00 -1.23 0.00 0.00 66.70 62.42 1a2t h VAL 66 Cb 0.05 2.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 1a2t h VAL 66 CO -0.01 0.88 -0.39 -0.33 -1.23 0.00 0.00 177.57 176.48 1a2t h GLU 67 N 0.04 0.00 -0.05 5.19 5.08 -0.83 -3.13 114.58 120.88 1a2t h GLU 67 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1a2t h GLU 67 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1a2t h GLU 67 CO 0.14 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 178.64 1a2t n ASN 68 N -3.41 2.48 -4.77 1.42 5.03 -0.85 -4.95 115.26 110.20 1a2t n ASN 68 Ca 0.00 -1.82 -0.38 0.00 0.87 0.00 0.00 54.58 53.25 1a2t n ASN 68 Cb 0.57 -0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 39.27 1a2t n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a2t s ALA 69 N -1.96 3.21 0.05 5.41 0.00 -1.19 -4.94 121.76 122.33 1a2t s ALA 69 Ca 0.32 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1a2t s ALA 69 Cb 0.20 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.77 1a2t s ALA 69 CO 0.31 -0.20 1.03 0.87 0.00 0.00 0.00 175.76 177.77 1a2t h LYS 70 N 3.01 0.17 -3.93 0.00 1.57 -1.92 -3.46 116.57 112.01 1a2t h LYS 70 Ca -0.48 -0.29 -0.35 0.00 -1.87 0.00 0.00 60.65 57.66 1a2t h LYS 70 Cb 1.21 0.11 -0.32 0.00 0.08 0.00 0.00 32.23 33.31 1a2t h LYS 70 CO 0.64 1.06 -0.75 0.15 -0.57 0.00 0.00 179.45 179.98 1a2t s LYS 71 N -2.65 0.44 -0.05 3.15 1.02 -1.26 -5.03 119.74 115.36 1a2t s LYS 71 Ca -0.05 -0.04 0.05 0.00 0.02 0.00 0.00 55.97 55.96 1a2t s LYS 71 Cb 0.08 -0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1a2t s LYS 71 CO 0.85 -0.05 -0.21 0.42 -0.92 0.00 0.00 175.35 175.44 1a2t s ILE 72 N 0.66 2.44 0.03 2.17 1.01 -1.26 -0.48 121.20 125.77 1a2t s ILE 72 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1a2t s ILE 72 Cb -0.10 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1a2t s ILE 72 CO -0.01 0.58 -0.08 -1.61 0.00 0.00 0.00 174.94 173.82 1a2t s GLU 73 N -0.43 0.54 0.03 2.79 2.02 -0.74 -1.96 118.70 120.96 1a2t s GLU 73 Ca 0.05 -0.56 0.08 0.00 0.02 0.00 0.00 54.97 54.55 1a2t s GLU 73 Cb -0.12 -0.41 -0.03 0.00 0.10 0.00 0.00 34.13 33.67 1a2t s GLU 73 CO 0.01 0.09 -0.22 0.14 0.02 0.00 0.00 175.26 175.31 1a2t s VAL 74 N -0.88 2.50 -0.21 2.63 -7.23 0.42 -0.98 120.40 116.64 1a2t s VAL 74 Ca -0.04 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1a2t s VAL 74 Cb -0.07 -2.01 0.07 0.00 0.56 0.00 0.00 36.38 34.93 1a2t s VAL 74 CO 0.00 0.38 0.04 -0.70 -0.31 0.00 0.00 175.10 174.51 1a2t s GLU 75 N -1.27 0.69 0.59 4.82 2.12 0.32 -0.90 118.70 125.06 1a2t s GLU 75 Ca 0.13 -0.53 -0.15 0.00 0.36 0.00 0.00 54.97 54.78 1a2t s GLU 75 Cb -0.10 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 1a2t s GLU 75 CO 0.03 -0.69 1.04 -0.06 -0.54 0.00 0.00 175.26 175.04 1a2t s PHE 76 N 1.82 3.10 0.00 5.30 0.08 -1.26 -0.93 117.98 126.09 1a2t s PHE 76 Ca 0.00 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.54 1a2t s PHE 76 Cb -0.17 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 1a2t s PHE 76 CO -0.11 -0.96 0.00 -3.47 -0.10 0.00 0.00 175.22 170.58 1a2t n ASP 77 N -2.03 0.00 -0.05 1.36 -0.08 -1.26 -4.61 116.55 109.88 1a2t n ASP 77 Ca 0.08 -0.70 0.13 0.00 -1.51 0.00 0.00 54.79 52.80 1a2t n ASP 77 Cb 0.53 0.00 0.46 0.00 2.34 0.00 0.00 41.12 44.45 1a2t n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1a2t n LYS 78 N -0.70 0.24 0.00 -0.67 2.85 -1.26 -4.89 118.16 113.74 1a2t n LYS 78 Ca 0.00 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1a2t n LYS 78 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1a2t n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a2t n GLY 79 N 1.43 2.27 3.76 2.58 0.00 -1.26 -4.97 105.19 109.00 1a2t n GLY 79 Ca 0.09 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 1a2t n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a2t s GLN 80 N 4.39 3.66 0.00 1.61 0.00 -1.26 -4.93 119.66 123.13 1a2t s GLN 80 Ca 0.00 2.34 0.24 0.00 -0.00 0.00 0.00 55.36 57.93 1a2t s GLN 80 Cb 0.00 -2.61 0.28 0.00 0.00 0.00 0.00 33.01 30.68 1a2t s GLN 80 CO 0.00 -0.81 1.26 0.54 0.00 0.00 0.00 175.29 176.28 1a2t n ARG 81 N -0.26 0.57 -3.98 9.60 1.74 -1.26 -4.81 116.66 118.25 1a2t n ARG 81 Ca 0.06 -0.41 -0.09 0.00 -0.77 0.00 0.00 57.85 56.64 1a2t n ARG 81 Cb 0.43 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 1a2t n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a2t s THR 82 N -2.71 0.15 0.45 0.55 -4.23 -1.26 -0.12 115.64 108.48 1a2t s THR 82 Ca 0.16 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1a2t s THR 82 Cb 0.18 -0.95 0.08 0.00 1.34 0.00 0.00 72.50 73.15 1a2t s THR 82 CO 0.65 -0.69 0.63 -0.90 -0.54 0.00 0.00 174.62 173.76 1a2t n ASP 83 N 0.74 1.21 0.33 3.99 5.68 -0.33 -4.88 116.55 123.28 1a2t n ASP 83 Ca -0.19 -1.93 0.21 0.00 -0.50 0.00 0.00 54.79 52.38 1a2t n ASP 83 Cb 0.59 -0.37 1.16 0.00 -1.14 0.00 0.00 41.12 41.35 1a2t n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1a2t h LYS 84 N 0.00 0.00 -0.26 0.11 2.10 -2.03 -0.24 116.57 116.25 1a2t h LYS 84 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 1a2t h LYS 84 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1a2t h LYS 84 CO 0.26 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.37 1a2t n TYR 85 N -3.25 0.34 -1.07 0.07 4.01 -1.26 -4.92 117.16 111.07 1a2t n TYR 85 Ca -0.03 -0.17 -0.02 0.00 -0.16 0.00 0.00 57.90 57.52 1a2t n TYR 85 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 1a2t n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a2t n GLY 86 N 1.24 0.58 3.80 2.72 0.00 -0.10 -5.03 105.19 108.39 1a2t n GLY 86 Ca 0.17 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1a2t n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2t s ARG 87 N -1.86 4.31 0.25 1.61 0.52 -1.26 -4.78 118.95 117.74 1a2t s ARG 87 Ca 0.00 0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 55.77 1a2t s ARG 87 Cb 0.00 -3.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.12 1a2t s ARG 87 CO 0.00 0.59 1.24 0.20 0.02 0.00 0.00 175.30 177.35 1a2t s GLY 88 N -1.03 2.78 -0.36 -3.53 0.00 -0.21 -1.19 107.32 103.79 1a2t s GLY 88 Ca 0.31 1.07 -0.09 0.00 0.00 0.00 0.00 44.72 46.01 1a2t s GLY 88 CO 0.21 1.86 0.17 1.08 0.00 0.00 0.00 173.10 176.41 1a2t s LEU 89 N -0.88 4.55 0.29 0.66 1.43 0.84 -0.19 118.68 125.37 1a2t s LEU 89 Ca 0.51 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1a2t s LEU 89 Cb -0.36 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1a2t s LEU 89 CO 0.42 -0.36 0.52 0.00 0.23 0.00 0.00 176.35 177.16 1a2t s ALA 90 N 1.50 -0.06 -0.23 4.21 0.00 -1.14 -4.34 121.76 121.69 1a2t s ALA 90 Ca 0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1a2t s ALA 90 Cb -0.19 1.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1a2t s ALA 90 CO 0.05 -0.86 0.15 0.71 0.00 0.00 0.00 175.76 175.81 1a2t s TYR 91 N -3.58 3.32 -0.12 0.00 2.02 -0.11 -1.01 117.35 117.87 1a2t s TYR 91 Ca 0.23 0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 57.14 1a2t s TYR 91 Cb -0.01 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1a2t s TYR 91 CO 0.12 0.09 -0.07 0.42 -1.57 0.00 0.00 175.55 174.54 1a2t s ILE 92 N 0.95 3.66 -0.08 2.71 1.01 -1.26 -0.52 121.20 127.67 1a2t s ILE 92 Ca 0.07 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1a2t s ILE 92 Cb -0.13 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1a2t s ILE 92 CO 0.03 0.53 -0.14 -0.31 0.00 0.00 0.00 174.94 175.06 1a2t s TYR 93 N -0.02 2.75 -0.28 3.97 1.51 -0.15 -0.15 117.35 124.98 1a2t s TYR 93 Ca -0.00 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1a2t s TYR 93 Cb -0.13 -1.71 0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1a2t s TYR 93 CO 0.03 0.05 -0.07 0.00 -1.11 0.00 0.00 175.55 174.45 1a2t s ALA 94 N -0.35 2.66 -1.44 3.71 0.00 0.91 -1.78 121.76 125.47 1a2t s ALA 94 Ca 0.04 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.08 1a2t s ALA 94 Cb -0.12 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.33 1a2t s ALA 94 CO 0.02 -1.26 0.87 -0.25 0.00 0.00 0.00 175.76 175.15 1a2t n ASP 95 N 4.47 -3.38 0.00 0.00 8.00 0.37 -1.05 116.55 124.95 1a2t n ASP 95 Ca -0.12 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1a2t n ASP 95 Cb 0.42 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 1a2t n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2t n GLY 96 N -1.67 0.86 3.52 0.44 0.00 -1.26 -5.01 105.19 102.07 1a2t n GLY 96 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1a2t n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2t s LYS 97 N -0.07 3.76 -0.25 1.61 1.02 -0.22 -5.04 119.74 120.55 1a2t s LYS 97 Ca 0.00 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 1a2t s LYS 97 Cb 0.00 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1a2t s LYS 97 CO 0.00 0.10 1.54 1.41 -0.92 0.00 0.00 175.35 177.48 1a2t s MET 98 N 0.80 3.79 0.22 1.68 1.75 -1.26 -0.06 119.30 126.22 1a2t s MET 98 Ca 0.02 1.51 -0.07 0.00 -1.25 0.00 0.00 55.69 55.90 1a2t s MET 98 Cb -0.14 -4.01 0.29 0.00 2.84 0.00 0.00 34.83 33.82 1a2t s MET 98 CO 0.02 -1.30 1.82 0.28 -0.65 0.00 0.00 175.02 175.19 1a2t h VAL 99 N 6.15 0.97 -0.43 10.11 2.07 -0.91 -1.69 116.25 132.53 1a2t h VAL 99 Ca -0.32 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1a2t h VAL 99 Cb 1.14 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1a2t h VAL 99 CO 1.01 0.14 -0.04 0.78 0.02 0.00 0.00 177.57 179.49 1a2t h ASN 100 N 0.77 -0.26 -0.11 0.57 4.21 -1.91 -1.86 115.58 116.99 1a2t h ASN 100 Ca 0.33 0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.92 1a2t h ASN 100 Cb 0.21 0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1a2t h ASN 100 CO -0.19 -0.09 -0.08 -0.08 -1.29 0.00 0.00 177.43 175.70 1a2t h GLU 101 N 0.07 0.25 -0.84 0.81 4.22 -1.87 -2.85 114.58 114.36 1a2t h GLU 101 Ca 0.21 -0.12 0.18 0.00 0.08 0.00 0.00 59.36 59.72 1a2t h GLU 101 Cb 0.32 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.46 1a2t h GLU 101 CO -0.39 0.62 0.36 0.00 -2.18 0.00 0.00 179.01 177.43 1a2t h ALA 102 N 0.62 1.28 -0.17 2.92 0.00 -1.02 0.30 119.26 123.19 1a2t h ALA 102 Ca 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a2t h ALA 102 Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1a2t h ALA 102 CO 0.02 -0.26 -0.01 -0.07 0.00 0.00 0.00 179.25 178.93 1a2t h LEU 103 N 0.44 0.29 -0.60 0.00 4.07 -1.34 -2.64 115.31 115.54 1a2t h LEU 103 Ca 0.50 -0.32 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 1a2t h LEU 103 Cb 0.85 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.49 1a2t h LEU 103 CO -0.47 0.54 0.21 0.58 -1.08 0.00 0.00 178.44 178.23 1a2t h VAL 104 N 0.04 1.24 -0.61 1.22 2.07 -1.04 -0.57 116.25 118.60 1a2t h VAL 104 Ca 0.05 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1a2t h VAL 104 Cb 0.40 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1a2t h VAL 104 CO 0.01 0.30 0.40 -0.09 0.02 0.00 0.00 177.57 178.21 1a2t h ARG 105 N 0.84 0.72 -0.00 1.57 9.65 -0.40 -1.02 114.38 125.74 1a2t h ARG 105 Ca 0.20 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1a2t h ARG 105 Cb 0.24 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1a2t h ARG 105 CO -0.01 0.48 -0.07 1.04 2.80 0.00 0.00 179.97 184.20 1a2t n GLN 106 N -4.46 0.37 -1.92 0.20 1.13 -1.00 -4.39 117.38 107.32 1a2t n GLN 106 Ca 0.07 -0.07 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 1a2t n GLN 106 Cb 0.11 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 1a2t n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a2t n GLY 107 N 1.35 0.28 0.90 1.08 0.00 -0.39 -4.27 105.19 104.14 1a2t n GLY 107 Ca 0.12 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.52 1a2t n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a2t n LEU 108 N -0.66 3.01 -3.56 0.99 4.77 -0.25 -1.19 117.00 120.11 1a2t n LEU 108 Ca -0.05 -1.44 -0.14 0.00 -0.03 0.00 0.00 56.01 54.35 1a2t n LEU 108 Cb 0.47 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1a2t n LEU 108 CO 0.07 0.64 0.30 0.00 -1.33 0.00 0.00 177.39 177.07 1a2t s ALA 109 N -1.32 -1.38 0.12 -1.18 0.00 -1.20 -4.40 121.76 112.40 1a2t s ALA 109 Ca 0.29 0.67 0.09 0.00 0.00 0.00 0.00 51.96 53.02 1a2t s ALA 109 Cb 0.18 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1a2t s ALA 109 CO 0.25 -0.50 -0.18 0.15 0.00 0.00 0.00 175.76 175.48 1a2t s LYS 110 N -2.35 1.77 -0.06 0.00 1.02 -1.01 -4.47 119.74 114.63 1a2t s LYS 110 Ca -0.06 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.43 1a2t s LYS 110 Cb -0.01 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1a2t s LYS 110 CO -0.01 0.47 1.37 0.08 -0.92 0.00 0.00 175.35 176.35 1a2t s VAL 111 N -1.18 3.93 0.29 3.17 1.01 -1.26 -0.84 120.40 125.52 1a2t s VAL 111 Ca 0.18 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 1a2t s VAL 111 Cb -0.10 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 1a2t s VAL 111 CO 0.10 -0.05 0.43 0.00 0.00 0.00 0.00 175.10 175.59 1a2t s ALA 112 N 2.93 0.48 -1.41 5.51 0.00 -0.66 -4.89 121.76 123.72 1a2t s ALA 112 Ca 0.62 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1a2t s ALA 112 Cb -0.28 1.15 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1a2t s ALA 112 CO 0.23 -0.79 0.41 0.66 0.00 0.00 0.00 175.76 176.27 1a2t n TYR 113 N -0.47 -1.64 -2.69 0.00 4.01 -1.26 -3.42 117.16 111.69 1a2t n TYR 113 Ca 0.00 0.74 -0.42 0.00 -0.16 0.00 0.00 57.90 58.06 1a2t n TYR 113 Cb 0.62 -3.72 -0.03 0.00 -0.31 0.00 0.00 39.34 35.90 1a2t n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a2t s VAL 114 N -3.97 4.13 -0.24 -0.72 1.01 -1.26 -4.48 120.40 114.86 1a2t s VAL 114 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1a2t s VAL 114 Cb -0.00 -4.90 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 1a2t s VAL 114 CO 0.89 -1.74 0.03 -0.31 0.00 0.00 0.00 175.10 173.97 1a2t s TYR 115 N 4.45 3.05 0.56 5.22 2.02 -1.26 -5.07 117.35 126.33 1a2t s TYR 115 Ca 0.37 -0.67 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 1a2t s TYR 115 Cb -0.06 -2.19 -0.06 0.00 -0.40 0.00 0.00 41.96 39.25 1a2t s TYR 115 CO -0.01 -0.45 1.01 -1.59 -1.57 0.00 0.00 175.55 172.94 1a2t s LYS 116 N 1.55 3.70 -0.01 -0.62 0.00 -1.26 -1.23 119.74 121.88 1a2t s LYS 116 Ca 0.06 0.96 0.01 0.00 0.00 0.00 0.00 55.97 57.00 1a2t s LYS 116 Cb -0.15 -2.10 0.05 0.00 0.00 0.00 0.00 37.83 35.63 1a2t s LYS 116 CO 0.01 -0.48 0.83 -0.35 0.00 0.00 0.00 175.35 175.36 1a2t n PRO 117 N -2.01 1.18 -2.01 1.78 -0.04 -1.26 -4.99 135.00 127.65 1a2t n PRO 117 Ca 0.07 -0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 1a2t n PRO 117 Cb 0.54 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1a2t n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a2t n ASN 118 N -0.18 5.60 -0.85 3.54 3.02 -0.36 -4.32 115.26 121.71 1a2t n ASN 118 Ca 0.02 -2.99 -0.00 0.00 -0.03 0.00 0.00 54.58 51.58 1a2t n ASN 118 Cb 0.16 -1.52 -0.01 0.00 -0.61 0.00 0.00 39.78 37.81 1a2t n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1a2t n ASN 119 N 4.09 0.10 -0.35 6.41 0.23 -1.26 -4.36 115.26 120.13 1a2t n ASN 119 Ca 0.51 -1.79 0.16 0.00 -0.53 0.00 0.00 54.58 52.93 1a2t n ASN 119 Cb 0.34 -0.10 0.36 0.00 -2.08 0.00 0.00 39.78 38.30 1a2t n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1a2t h THR 120 N 6.24 0.59 -0.60 5.53 2.02 -1.97 -0.16 112.91 124.56 1a2t h THR 120 Ca -0.16 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1a2t h THR 120 Cb 1.45 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1a2t h THR 120 CO -0.02 0.12 0.00 1.41 0.37 0.00 0.00 175.52 177.40 1a2t n HIS 121 N -4.85 1.71 -0.11 3.16 8.25 -1.26 -4.66 115.22 117.46 1a2t n HIS 121 Ca 0.26 -0.67 -0.05 0.00 -0.26 0.00 0.00 57.72 57.00 1a2t n HIS 121 Cb 0.69 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.47 1a2t n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1a2t h GLU 122 N 3.95 0.15 -0.65 -0.41 4.81 -1.40 -2.20 114.58 118.82 1a2t h GLU 122 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1a2t h GLU 122 Cb 1.67 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 1a2t h GLU 122 CO 0.34 0.10 0.12 1.96 -0.73 0.00 0.00 179.01 180.80 1a2t h GLN 123 N 0.16 1.07 -0.29 1.92 1.08 -1.83 -0.31 115.11 116.91 1a2t h GLN 123 Ca 0.19 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1a2t h GLN 123 Cb 0.24 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1a2t h GLN 123 CO -0.28 0.97 0.17 1.25 -0.95 0.00 0.00 178.83 180.00 1a2t h HIS 124 N 1.00 0.37 -0.31 2.96 2.76 -1.85 -0.75 115.15 119.34 1a2t h HIS 124 Ca 0.20 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 1a2t h HIS 124 Cb 0.41 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1a2t h HIS 124 CO 0.03 0.27 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.66 1a2t h LEU 125 N 0.37 0.58 -0.75 0.26 3.38 -1.22 -2.71 115.31 115.22 1a2t h LEU 125 Ca 0.10 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1a2t h LEU 125 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1a2t h LEU 125 CO -0.02 0.79 -0.27 0.03 0.09 0.00 0.00 178.44 179.06 1a2t h ARG 126 N 0.52 0.66 -0.32 1.13 3.08 -0.63 -1.08 114.38 117.75 1a2t h ARG 126 Ca 0.08 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1a2t h ARG 126 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1a2t h ARG 126 CO 0.05 0.86 -0.09 1.57 -1.07 0.00 0.00 179.97 181.28 1a2t h LYS 127 N 0.57 0.53 -0.27 0.04 2.10 -0.93 -1.33 116.57 117.27 1a2t h LYS 127 Ca 0.07 -0.14 -0.14 0.00 -2.00 0.00 0.00 60.65 58.44 1a2t h LYS 127 Cb 0.75 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1a2t h LYS 127 CO 0.06 0.62 -0.39 0.77 -2.00 0.00 0.00 179.45 178.52 1a2t h SER 128 N 0.49 0.80 -0.79 7.07 0.02 -1.19 -2.51 113.55 117.44 1a2t h SER 128 Ca 0.09 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1a2t h SER 128 Cb 0.46 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1a2t h SER 128 CO 0.03 1.16 0.39 -0.08 -1.14 0.00 0.00 176.83 177.18 1a2t h GLU 129 N 0.47 1.15 -0.83 3.45 4.81 -0.88 -1.75 114.58 121.00 1a2t h GLU 129 Ca 0.03 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1a2t h GLU 129 Cb 0.98 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1a2t h GLU 129 CO 0.09 0.87 0.37 0.00 -0.73 0.00 0.00 179.01 179.62 1a2t h ALA 130 N 1.29 1.07 -0.62 2.92 0.00 -1.13 -0.67 119.26 122.12 1a2t h ALA 130 Ca 0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1a2t h ALA 130 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1a2t h ALA 130 CO -0.04 0.66 0.01 0.37 0.00 0.00 0.00 179.25 180.25 1a2t h GLN 131 N 1.19 1.08 -0.38 0.00 5.75 -1.01 0.90 115.11 122.64 1a2t h GLN 131 Ca 0.28 -0.34 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1a2t h GLN 131 Cb 0.16 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1a2t h GLN 131 CO -0.03 1.05 0.08 0.00 -2.65 0.00 0.00 178.83 177.27 1a2t h ALA 132 N 1.00 0.51 -0.29 3.38 0.00 -0.97 0.21 119.26 123.11 1a2t h ALA 132 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a2t h ALA 132 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a2t h ALA 132 CO 0.03 0.20 0.12 0.87 0.00 0.00 0.00 179.25 180.47 1a2t h LYS 133 N 0.48 0.43 -0.80 0.00 1.57 -0.97 0.25 116.57 117.53 1a2t h LYS 133 Ca 0.12 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1a2t h LYS 133 Cb 0.34 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.49 1a2t h LYS 133 CO 0.00 0.45 0.38 -0.22 -0.57 0.00 0.00 179.45 179.49 1a2t h LYS 134 N 0.32 0.54 -0.13 3.15 3.64 -0.65 0.29 116.57 123.73 1a2t h LYS 134 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1a2t h LYS 134 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1a2t h LYS 134 CO -0.01 0.35 0.00 0.39 -2.27 0.00 0.00 179.45 177.92 1a2t n GLU 135 N -4.92 1.57 -3.94 1.90 1.02 0.05 -4.94 120.64 111.38 1a2t n GLU 135 Ca 0.16 -0.86 -0.30 0.00 -0.02 0.00 0.00 57.16 56.14 1a2t n GLU 135 Cb 0.42 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 1a2t n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a2t n LYS 136 N 0.08 -4.90 -2.81 3.49 4.76 0.10 -4.94 118.16 113.95 1a2t n LYS 136 Ca 0.15 0.55 -0.41 0.00 -2.87 0.00 0.00 58.31 55.74 1a2t n LYS 136 Cb 0.27 -5.31 -0.05 0.00 -1.84 0.00 0.00 35.03 28.10 1a2t n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1a2t s LEU 137 N -7.18 4.48 0.00 -0.35 1.43 -0.34 -2.78 118.68 113.94 1a2t s LEU 137 Ca 0.54 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1a2t s LEU 137 Cb -0.28 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1a2t s LEU 137 CO 0.85 -0.05 0.00 0.59 0.23 0.00 0.00 176.35 177.97 1a2t n ASN 138 N 2.85 0.00 -0.26 2.29 3.02 -1.26 0.05 115.26 121.96 1a2t n ASN 138 Ca 0.01 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.74 1a2t n ASN 138 Cb 0.50 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.14 1a2t n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1a2t h ILE 139 N 0.00 0.69 -0.32 2.41 2.04 -1.45 0.77 117.51 121.65 1a2t h ILE 139 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1a2t h ILE 139 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1a2t h ILE 139 CO 0.00 0.09 0.00 0.79 0.00 0.00 0.00 178.15 179.03 1a2t n TRP 140 N -4.55 0.42 1.63 1.37 7.02 0.11 -5.13 117.44 118.31 1a2t n TRP 140 Ca 0.20 -0.21 0.13 0.00 -1.02 0.00 0.00 57.50 56.60 1a2t n TRP 140 Cb 0.67 0.00 0.78 0.00 -2.42 0.00 0.00 31.31 30.34 1a2t n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54