#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ln3 s SER 9 N 0.00 5.22 0.15 4.37 1.04 -1.26 -4.99 113.70 118.23 1ln3 s SER 9 Ca 0.00 0.61 -0.04 0.00 0.48 0.00 0.00 55.95 57.00 1ln3 s SER 9 Cb 0.00 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 1ln3 s SER 9 CO 0.00 -1.32 1.36 -0.08 0.98 0.00 0.00 173.24 174.18 1ln3 h GLU 10 N -0.39 0.45 -0.46 4.02 4.81 -2.06 -3.12 114.58 117.83 1ln3 h GLU 10 Ca -0.45 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 58.41 1ln3 h GLU 10 Cb 1.28 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.73 1ln3 h GLU 10 CO 0.61 1.06 0.23 1.49 -0.73 0.00 0.00 179.01 181.66 1ln3 h GLU 11 N 0.28 0.44 -0.95 1.92 4.81 -2.00 -1.71 114.58 117.37 1ln3 h GLU 11 Ca -0.05 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1ln3 h GLU 11 Cb 1.43 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 1ln3 h GLU 11 CO 0.15 0.29 0.60 1.96 -0.73 0.00 0.00 179.01 181.27 1ln3 h GLN 12 N 0.45 0.70 -0.39 1.92 4.20 -1.94 -0.19 115.11 119.86 1ln3 h GLN 12 Ca 0.20 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1ln3 h GLN 12 Cb 0.11 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1ln3 h GLN 12 CO -0.14 0.46 0.10 0.74 -0.67 0.00 0.00 178.83 179.32 1ln3 h PHE 13 N 0.72 0.66 -0.50 2.96 -1.00 -1.36 -3.05 116.94 115.37 1ln3 h PHE 13 Ca 0.50 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 61.15 1ln3 h PHE 13 Cb 0.80 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 1ln3 h PHE 13 CO -0.00 0.64 0.14 -1.49 -1.61 0.00 0.00 178.31 175.98 1ln3 h TRP 14 N 0.49 0.82 -0.89 -0.55 4.06 -1.02 0.11 115.95 118.97 1ln3 h TRP 14 Ca 0.12 -0.09 0.21 0.00 2.06 0.00 0.00 58.89 61.19 1ln3 h TRP 14 Cb 0.31 -0.24 -0.16 0.00 -1.00 0.00 0.00 29.16 28.07 1ln3 h TRP 14 CO 0.02 0.73 -0.08 1.49 -3.56 0.00 0.00 178.44 177.03 1ln3 h GLU 15 N 0.68 0.03 -0.03 0.49 4.57 -0.96 1.14 114.58 120.50 1ln3 h GLU 15 Ca 0.16 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1ln3 h GLU 15 Cb 0.31 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1ln3 h GLU 15 CO -0.00 0.02 -0.33 0.00 -1.18 0.00 0.00 179.01 177.52 1ln3 h ALA 16 N 1.87 0.08 -1.05 2.92 0.00 -1.43 -2.92 119.26 118.74 1ln3 h ALA 16 Ca 0.48 -0.47 0.27 0.00 0.00 0.00 0.00 54.91 55.20 1ln3 h ALA 16 Cb 0.86 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1ln3 h ALA 16 CO -0.85 0.16 0.66 0.00 0.00 0.00 0.00 179.25 179.22 1ln3 n ALA 18 N -2.44 -0.38 0.12 0.00 0.00 0.36 -2.84 120.51 115.33 1ln3 n ALA 18 Ca 0.26 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.87 1ln3 n ALA 18 Cb 0.88 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.88 1ln3 n ALA 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ln3 h GLU 19 N 0.00 0.00 -0.61 0.00 5.08 -1.33 1.05 114.58 118.77 1ln3 h GLU 19 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1ln3 h GLU 19 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1ln3 h GLU 19 CO 0.00 0.00 0.33 1.25 -1.00 0.00 0.00 179.01 179.59 1ln3 h LEU 20 N 0.00 0.48 0.18 1.33 5.85 -1.31 -2.77 115.31 119.07 1ln3 h LEU 20 Ca 0.18 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ln3 h LEU 20 Cb 1.62 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1ln3 h LEU 20 CO -0.00 0.31 -0.08 1.56 -0.34 0.00 0.00 178.44 179.89 1ln3 h GLN 21 N 0.61 -0.23 -3.87 1.25 1.08 0.11 -3.46 115.11 110.61 1ln3 h GLN 21 Ca 0.28 0.02 -0.37 0.00 -1.45 0.00 0.00 58.65 57.12 1ln3 h GLN 21 Cb 0.18 0.05 -0.34 0.00 -0.05 0.00 0.00 27.48 27.32 1ln3 h GLN 21 CO -0.18 0.18 -0.76 -1.14 -0.95 0.00 0.00 178.83 175.98 1ln3 s GLN 22 N -4.04 0.55 0.67 1.46 2.00 -1.03 -5.14 119.66 114.12 1ln3 s GLN 22 Ca -0.14 -0.02 -0.17 0.00 -2.00 0.00 0.00 55.36 53.04 1ln3 s GLN 22 Cb 0.01 -0.64 0.00 0.00 0.80 0.00 0.00 33.01 33.19 1ln3 s GLN 22 CO 0.54 -0.10 1.22 -2.14 -0.50 0.00 0.00 175.29 174.31 1ln3 s PRO 23 N 0.92 2.51 -0.39 1.67 0.02 -1.21 -3.91 135.00 134.62 1ln3 s PRO 23 Ca -0.11 1.82 0.03 0.00 0.02 0.00 0.00 61.00 62.76 1ln3 s PRO 23 Cb -0.14 -1.87 0.11 0.00 0.02 0.00 0.00 34.50 32.62 1ln3 s PRO 23 CO -0.01 -1.57 0.12 0.00 -0.33 0.00 0.00 177.00 175.22 1ln3 s ALA 24 N -1.77 2.72 0.00 -1.55 0.00 -1.26 -4.88 121.76 115.02 1ln3 s ALA 24 Ca 0.76 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1ln3 s ALA 24 Cb -0.31 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ln3 s ALA 24 CO 0.40 -1.80 0.09 1.28 0.00 0.00 0.00 175.76 175.73 1ln3 n LEU 25 N 4.00 0.00 -0.03 0.00 4.77 -1.26 -4.92 117.00 119.56 1ln3 n LEU 25 Ca 0.04 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1ln3 n LEU 25 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1ln3 n LEU 25 CO 0.23 0.12 0.65 0.00 -1.33 0.00 0.00 177.39 177.07 1ln3 h ALA 26 N 0.00 0.11 0.00 -1.18 0.00 -1.98 -3.18 119.26 113.03 1ln3 h ALA 26 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ln3 h ALA 26 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ln3 h ALA 26 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1ln3 n GLY 27 N 0.08 -0.38 3.26 0.00 0.00 -1.26 -4.81 105.19 102.09 1ln3 n GLY 27 Ca -0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1ln3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ln3 n ALA 28 N -1.19 0.67 -0.82 4.61 0.00 -1.20 -5.03 120.51 117.55 1ln3 n ALA 28 Ca 0.03 -2.00 -0.18 0.00 0.00 0.00 0.00 53.44 51.30 1ln3 n ALA 28 Cb 0.04 1.51 0.05 0.00 0.00 0.00 0.00 19.45 21.05 1ln3 n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ln3 n ASP 29 N -1.63 6.03 -4.60 0.00 -0.08 -1.26 -4.93 116.55 110.08 1ln3 n ASP 29 Ca 0.03 -3.11 -0.43 0.00 -1.51 0.00 0.00 54.79 49.76 1ln3 n ASP 29 Cb 0.61 -0.98 -0.03 0.00 2.34 0.00 0.00 41.12 43.06 1ln3 n ASP 29 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1ln3 s TRP 30 N -2.05 1.18 -0.03 -0.67 0.52 -1.26 -4.75 118.94 111.88 1ln3 s TRP 30 Ca 0.35 0.54 -0.02 0.00 0.02 0.00 0.00 56.10 56.98 1ln3 s TRP 30 Cb 0.28 -3.93 -0.04 0.00 -1.15 0.00 0.00 33.47 28.62 1ln3 s TRP 30 CO 0.01 -4.06 0.12 -0.65 0.02 0.00 0.00 176.95 172.39 1ln3 s GLN 31 N 6.33 3.25 0.77 4.98 -0.21 -0.13 -4.82 119.66 129.84 1ln3 s GLN 31 Ca 1.00 -0.37 -0.11 0.00 0.02 0.00 0.00 55.36 55.90 1ln3 s GLN 31 Cb -0.33 -2.99 0.06 0.00 1.00 0.00 0.00 33.01 30.75 1ln3 s GLN 31 CO 0.35 0.68 1.09 -1.17 -2.12 0.00 0.00 175.29 174.12 1ln3 s LEU 32 N -1.66 2.74 0.00 2.90 2.96 -1.26 -0.43 118.68 123.93 1ln3 s LEU 32 Ca 0.23 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1ln3 s LEU 32 Cb -0.12 -4.10 0.00 0.00 0.50 0.00 0.00 46.19 42.47 1ln3 s LEU 32 CO 0.14 -1.87 0.00 -0.11 -1.32 0.00 0.00 176.35 173.19 1ln3 n LEU 33 N -3.38 0.00 -3.72 -0.68 7.94 -0.81 -4.84 117.00 111.51 1ln3 n LEU 33 Ca 0.07 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.85 1ln3 n LEU 33 Cb 0.55 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.43 1ln3 n LEU 33 CO 0.56 0.00 0.08 -0.69 -1.11 0.00 0.00 177.39 176.23 1ln3 s VAL 34 N -0.63 0.07 -0.13 1.96 1.01 -1.16 -4.96 120.40 116.56 1ln3 s VAL 34 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1ln3 s VAL 34 Cb 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.52 1ln3 s VAL 34 CO 0.00 -0.31 0.31 -1.61 0.00 0.00 0.00 175.10 173.49 1ln3 s GLU 35 N -2.33 0.32 -0.16 2.72 2.02 -1.25 -2.31 118.70 117.70 1ln3 s GLU 35 Ca -0.06 0.55 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 1ln3 s GLU 35 Cb -0.01 0.03 0.11 0.00 0.10 0.00 0.00 34.13 34.36 1ln3 s GLU 35 CO -0.02 -0.11 0.93 0.99 0.02 0.00 0.00 175.26 177.08 1ln3 s THR 36 N 0.82 0.00 -1.00 3.63 2.01 -0.71 -4.92 115.64 115.47 1ln3 s THR 36 Ca -0.05 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 1ln3 s THR 36 Cb -0.06 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.51 1ln3 s THR 36 CO -0.06 0.00 0.15 -1.54 -0.69 0.00 0.00 174.62 172.49 1ln3 n SER 37 N 1.08 -0.14 -3.31 3.53 3.41 -1.26 0.15 113.62 117.07 1ln3 n SER 37 Ca -0.12 -0.75 -0.17 0.00 -0.26 0.00 0.00 58.87 57.56 1ln3 n SER 37 Cb 0.57 -0.94 0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1ln3 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ln3 n GLY 38 N -1.46 -1.14 3.02 5.00 0.00 -1.26 -4.63 105.19 104.71 1ln3 n GLY 38 Ca -0.08 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1ln3 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ln3 s ILE 39 N -3.39 0.06 -0.13 -0.61 -1.09 0.40 -1.06 121.20 115.37 1ln3 s ILE 39 Ca 0.45 -0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 58.37 1ln3 s ILE 39 Cb -0.08 -0.27 0.06 0.00 -1.58 0.00 0.00 42.46 40.59 1ln3 s ILE 39 CO 0.76 -0.26 0.14 -0.44 -1.23 0.00 0.00 174.94 173.92 1ln3 s SER 40 N -0.82 1.36 -0.21 3.58 0.01 -0.06 -1.74 113.70 115.82 1ln3 s SER 40 Ca -0.09 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 1ln3 s SER 40 Cb -0.05 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1ln3 s SER 40 CO 0.00 -0.29 0.02 -0.63 0.41 0.00 0.00 173.24 172.75 1ln3 s ILE 41 N 2.25 4.12 0.32 1.44 1.01 -0.98 -2.46 121.20 126.90 1ln3 s ILE 41 Ca 0.04 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1ln3 s ILE 41 Cb -0.14 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1ln3 s ILE 41 CO -0.08 0.41 0.28 -0.31 0.00 0.00 0.00 174.94 175.24 1ln3 s TYR 42 N 1.06 2.95 0.05 3.97 1.51 -0.77 -1.93 117.35 124.20 1ln3 s TYR 42 Ca 0.03 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 1ln3 s TYR 42 Cb -0.14 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1ln3 s TYR 42 CO 0.02 0.25 0.24 -0.98 -1.11 0.00 0.00 175.55 173.97 1ln3 s ARG 43 N -3.97 0.77 -0.10 -0.62 1.70 0.43 -2.49 118.95 114.67 1ln3 s ARG 43 Ca 0.39 -0.62 0.01 0.00 -0.47 0.00 0.00 55.73 55.04 1ln3 s ARG 43 Cb -0.06 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1ln3 s ARG 43 CO 0.26 -0.24 -0.12 -1.17 -1.08 0.00 0.00 175.30 172.95 1ln3 s LEU 44 N -2.19 1.56 0.32 -1.89 2.96 0.05 -0.95 118.68 118.53 1ln3 s LEU 44 Ca -0.04 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 1ln3 s LEU 44 Cb -0.00 -0.96 -0.08 0.00 0.50 0.00 0.00 46.19 45.65 1ln3 s LEU 44 CO -0.05 -0.02 0.72 -0.22 -1.32 0.00 0.00 176.35 175.46 1ln3 s LEU 45 N 1.13 4.04 -0.68 -0.68 2.96 -1.26 -1.38 118.68 122.81 1ln3 s LEU 45 Ca -0.05 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 1ln3 s LEU 45 Cb -0.14 -4.03 0.27 0.00 0.50 0.00 0.00 46.19 42.79 1ln3 s LEU 45 CO -0.03 -0.22 0.86 -0.67 -1.32 0.00 0.00 176.35 174.97 1ln3 n ASP 46 N -0.47 4.16 0.00 3.68 2.03 -0.62 -4.97 116.55 120.36 1ln3 n ASP 46 Ca 0.03 -3.48 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1ln3 n ASP 46 Cb 0.53 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1ln3 n ASP 46 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ln3 n LYS 47 N 0.76 0.00 -0.02 -0.67 5.02 -1.26 0.54 118.16 122.52 1ln3 n LYS 47 Ca 0.30 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 1ln3 n LYS 47 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.39 1ln3 n LYS 47 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ln3 h LYS 48 N 0.00 0.71 0.00 1.97 1.79 -1.96 -3.37 116.57 115.71 1ln3 h LYS 48 Ca 0.00 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1ln3 h LYS 48 Cb 0.00 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1ln3 h LYS 48 CO 0.00 1.13 -0.60 0.25 -1.08 0.00 0.00 179.45 179.15 1ln3 n THR 49 N -3.94 0.00 -0.41 -0.16 -2.24 0.19 -4.99 114.28 102.72 1ln3 n THR 49 Ca -0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ln3 n THR 49 Cb 0.68 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1ln3 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ln3 n GLY 50 N 1.46 1.97 3.79 3.38 0.00 -0.97 -5.00 105.19 109.82 1ln3 n GLY 50 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ln3 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ln3 s LEU 51 N 0.00 4.15 0.23 0.99 1.43 -1.26 -4.71 118.68 119.51 1ln3 s LEU 51 Ca 0.00 1.95 0.10 0.00 -1.03 0.00 0.00 54.13 55.15 1ln3 s LEU 51 Cb 0.00 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 1ln3 s LEU 51 CO 0.00 -0.40 -0.07 -0.31 0.23 0.00 0.00 176.35 175.80 1ln3 s TYR 52 N -1.72 2.61 0.07 0.29 1.51 -1.26 -1.59 117.35 117.26 1ln3 s TYR 52 Ca 0.57 -0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.48 1ln3 s TYR 52 Cb -0.20 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1ln3 s TYR 52 CO 0.25 0.59 -0.25 -1.21 -1.11 0.00 0.00 175.55 173.82 1ln3 s GLU 53 N -3.31 1.58 0.22 -0.62 2.02 -0.48 -4.59 118.70 113.52 1ln3 s GLU 53 Ca 0.29 -1.14 0.06 0.00 0.02 0.00 0.00 54.97 54.20 1ln3 s GLU 53 Cb -0.07 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 1ln3 s GLU 53 CO 0.17 0.46 -0.09 0.71 0.02 0.00 0.00 175.26 176.53 1ln3 s TYR 54 N -0.89 1.70 -0.03 1.61 1.51 -0.28 -0.77 117.35 120.19 1ln3 s TYR 54 Ca 0.11 -0.69 -0.10 0.00 -1.01 0.00 0.00 57.07 55.38 1ln3 s TYR 54 Cb -0.10 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 1ln3 s TYR 54 CO 0.03 0.23 0.22 0.15 -1.11 0.00 0.00 175.55 175.08 1ln3 s LYS 55 N -3.72 0.48 -0.03 -0.62 1.02 -1.04 -1.60 119.74 114.23 1ln3 s LYS 55 Ca 0.25 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.15 1ln3 s LYS 55 Cb 0.02 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1ln3 s LYS 55 CO 0.08 -0.11 -0.08 0.08 -0.92 0.00 0.00 175.35 174.39 1ln3 s VAL 56 N -0.90 0.75 0.10 3.17 1.01 -1.26 -1.85 120.40 121.41 1ln3 s VAL 56 Ca -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1ln3 s VAL 56 Cb -0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1ln3 s VAL 56 CO 0.02 0.24 0.00 -0.36 0.00 0.00 0.00 175.10 175.00 1ln3 s PHE 57 N 0.25 0.74 -3.95 5.22 0.40 -1.03 -3.83 117.98 115.79 1ln3 s PHE 57 Ca -0.04 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.17 1ln3 s PHE 57 Cb -0.09 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 42.98 1ln3 s PHE 57 CO 0.00 -0.40 0.00 0.41 0.70 0.00 0.00 175.22 175.93 1ln3 n GLY 58 N -0.01 0.85 3.06 4.36 0.00 -1.20 -0.88 105.19 111.37 1ln3 n GLY 58 Ca -0.10 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 43.77 1ln3 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ln3 s VAL 59 N -1.76 0.68 -0.52 1.61 1.01 -0.22 -1.36 120.40 119.84 1ln3 s VAL 59 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1ln3 s VAL 59 Cb 0.00 -0.66 0.15 0.00 0.00 0.00 0.00 36.38 35.87 1ln3 s VAL 59 CO 0.00 -0.11 0.32 -0.76 0.00 0.00 0.00 175.10 174.55 1ln3 s LEU 60 N -1.00 3.37 0.88 3.92 1.43 -0.61 -4.55 118.68 122.12 1ln3 s LEU 60 Ca -0.03 -3.07 -0.11 0.00 -1.03 0.00 0.00 54.13 49.89 1ln3 s LEU 60 Cb -0.07 -1.22 0.12 0.00 0.03 0.00 0.00 46.19 45.04 1ln3 s LEU 60 CO 0.00 -0.20 1.09 -1.83 0.23 0.00 0.00 176.35 175.65 1ln3 s GLU 61 N -0.27 1.42 0.00 1.70 -1.05 -1.26 -2.21 118.70 117.03 1ln3 s GLU 61 Ca 0.21 0.91 0.00 0.00 -0.15 0.00 0.00 54.97 55.94 1ln3 s GLU 61 Cb -0.16 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 1ln3 s GLU 61 CO -0.07 -2.15 0.00 -0.25 0.95 0.00 0.00 175.26 173.74 1ln3 n ASP 62 N -3.83 -2.80 -3.50 0.83 8.00 -1.23 -4.80 116.55 109.22 1ln3 n ASP 62 Ca 0.07 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.30 1ln3 n ASP 62 Cb 0.55 -1.10 -0.14 0.00 -0.02 0.00 0.00 41.12 40.41 1ln3 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ln3 s SER 64 N 1.96 6.52 0.25 0.00 1.04 -1.17 -2.18 113.70 120.13 1ln3 s SER 64 Ca 0.11 2.77 -0.13 0.00 0.48 0.00 0.00 55.95 59.17 1ln3 s SER 64 Cb -0.17 -2.62 0.34 0.00 0.10 0.00 0.00 66.02 63.67 1ln3 s SER 64 CO -0.30 -0.82 1.56 -0.65 0.98 0.00 0.00 173.24 174.01 1ln3 h PRO 65 N 5.55 -0.00 -0.77 4.02 0.11 -1.79 0.28 132.00 139.39 1ln3 h PRO 65 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1ln3 h PRO 65 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1ln3 h PRO 65 CO 0.83 -0.00 0.39 0.00 -0.21 0.00 0.00 178.00 179.01 1ln3 h THR 66 N -0.00 1.24 0.14 -1.15 1.03 -1.92 0.03 112.91 112.27 1ln3 h THR 66 Ca 0.41 -0.63 -0.01 0.00 -0.01 0.00 0.00 66.41 66.17 1ln3 h THR 66 Cb 0.66 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 1ln3 h THR 66 CO -1.00 0.27 -0.07 0.25 -0.01 0.00 0.00 175.52 174.96 1ln3 h LEU 67 N 1.09 -0.16 -0.56 0.00 6.46 -1.16 -2.71 115.31 118.26 1ln3 h LEU 67 Ca 0.27 -0.38 0.11 0.00 -0.12 0.00 0.00 57.88 57.76 1ln3 h LEU 67 Cb 0.07 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 39.93 1ln3 h LEU 67 CO -0.04 0.42 -0.25 0.25 -0.62 0.00 0.00 178.44 178.20 1ln3 h LEU 68 N -0.88 -0.86 -1.10 2.25 5.85 -0.53 0.18 115.31 120.22 1ln3 h LEU 68 Ca -0.02 0.20 0.20 0.00 0.84 0.00 0.00 57.88 59.10 1ln3 h LEU 68 Cb 0.53 0.47 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1ln3 h LEU 68 CO 0.03 -0.26 0.62 0.00 -0.34 0.00 0.00 178.44 178.49 1ln3 h ALA 69 N 1.24 1.80 -0.33 1.25 0.00 -1.03 -1.00 119.26 121.20 1ln3 h ALA 69 Ca 0.25 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1ln3 h ALA 69 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ln3 h ALA 69 CO -0.63 -0.18 -0.45 -0.44 0.00 0.00 0.00 179.25 177.55 1ln3 h ASP 70 N 0.67 0.92 -0.36 0.00 3.45 -0.33 -3.14 116.42 117.64 1ln3 h ASP 70 Ca 0.57 -0.45 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 1ln3 h ASP 70 Cb 1.02 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 1ln3 h ASP 70 CO -0.36 1.23 0.13 0.40 -1.57 0.00 0.00 179.24 179.07 1ln3 h ILE 71 N 0.68 1.20 0.00 0.35 5.03 -0.57 -1.45 117.51 122.75 1ln3 h ILE 71 Ca 0.04 -0.62 0.00 0.00 -0.12 0.00 0.00 64.86 64.16 1ln3 h ILE 71 Cb 1.04 0.94 0.00 0.00 -3.03 0.00 0.00 36.82 35.77 1ln3 h ILE 71 CO 0.10 0.22 0.00 0.00 -0.68 0.00 0.00 178.15 177.79 1ln3 n TYR 72 N -4.67 0.00 -1.07 1.37 9.36 -0.61 -4.66 117.16 116.88 1ln3 n TYR 72 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1ln3 n TYR 72 Cb 0.15 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1ln3 n TYR 72 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ln3 n ASP 74 N 0.43 -1.99 -0.12 2.98 -0.08 -0.55 -5.11 116.55 112.11 1ln3 n ASP 74 Ca 0.00 0.19 -0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1ln3 n ASP 74 Cb 0.00 -0.44 -0.01 0.00 2.34 0.00 0.00 41.12 43.01 1ln3 n ASP 74 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ln3 h SER 75 N 2.26 0.50 -0.06 1.67 0.02 -1.92 -0.01 113.55 116.01 1ln3 h SER 75 Ca 0.00 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1ln3 h SER 75 Cb 0.15 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1ln3 h SER 75 CO 0.00 0.52 -0.29 0.44 -1.14 0.00 0.00 176.83 176.36 1ln3 h ASP 76 N 0.45 -0.88 -0.34 3.07 3.45 -1.97 0.35 116.42 120.54 1ln3 h ASP 76 Ca 0.12 0.13 -0.10 0.00 0.43 0.00 0.00 57.03 57.61 1ln3 h ASP 76 Cb 0.18 0.37 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1ln3 h ASP 76 CO -0.01 -0.35 -0.14 0.22 -1.57 0.00 0.00 179.24 177.39 1ln3 h TYR 77 N -0.40 0.87 -0.37 4.55 3.20 -1.95 -2.60 116.97 120.28 1ln3 h TYR 77 Ca 0.08 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 1ln3 h TYR 77 Cb 0.52 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1ln3 h TYR 77 CO -0.35 0.88 0.16 -0.09 -1.64 0.00 0.00 178.16 177.11 1ln3 h ARG 78 N 0.71 0.54 -0.26 1.82 9.65 -0.16 -1.01 114.38 125.67 1ln3 h ARG 78 Ca 0.11 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1ln3 h ARG 78 Cb 0.63 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1ln3 h ARG 78 CO 0.04 0.51 0.18 0.87 2.80 0.00 0.00 179.97 184.37 1ln3 h LYS 79 N 0.45 0.13 0.00 0.20 1.57 -0.15 0.47 116.57 119.24 1ln3 h LYS 79 Ca 0.12 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1ln3 h LYS 79 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1ln3 h LYS 79 CO -0.01 0.09 -0.46 0.37 -0.57 0.00 0.00 179.45 178.86 1ln3 h GLN 80 N 0.13 0.00 0.00 3.15 4.15 -0.83 -3.39 115.11 118.33 1ln3 h GLN 80 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1ln3 h GLN 80 Cb 0.30 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1ln3 h GLN 80 CO -0.02 0.46 -1.03 -2.67 -1.93 0.00 0.00 178.83 173.64 1ln3 n TRP 81 N -3.30 0.00 -2.66 3.99 4.27 -0.73 -4.98 117.44 114.03 1ln3 n TRP 81 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 1ln3 n TRP 81 Cb 0.67 -0.02 -0.02 0.00 -1.36 0.00 0.00 31.31 30.57 1ln3 n TRP 81 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1ln3 s ASP 82 N -2.62 6.81 0.00 -0.67 -1.08 0.11 -4.90 116.67 114.32 1ln3 s ASP 82 Ca -0.00 0.83 0.20 0.00 -0.52 0.00 0.00 52.55 53.05 1ln3 s ASP 82 Cb 0.00 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 40.13 1ln3 s ASP 82 CO 0.02 -0.97 1.76 0.00 0.52 0.00 0.00 175.17 176.51 1ln3 n GLN 83 N 7.09 0.99 0.00 4.34 10.64 -1.26 -3.15 117.38 136.03 1ln3 n GLN 83 Ca 0.11 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.38 1ln3 n GLN 83 Cb 0.48 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 1ln3 n GLN 83 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ln3 n TYR 84 N -0.82 0.00 -2.94 2.61 4.02 -1.26 -4.88 117.16 113.89 1ln3 n TYR 84 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 1ln3 n TYR 84 Cb 0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 1ln3 n TYR 84 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ln3 s VAL 85 N -2.12 4.75 -0.04 -0.72 1.01 -1.19 -0.76 120.40 121.34 1ln3 s VAL 85 Ca 0.16 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 1ln3 s VAL 85 Cb 0.15 -4.19 -0.32 0.00 0.00 0.00 0.00 36.38 32.03 1ln3 s VAL 85 CO 0.46 -0.35 0.76 0.50 0.00 0.00 0.00 175.10 176.46 1ln3 h LYS 86 N 8.31 0.40 -2.16 2.72 1.63 -1.44 -3.47 116.57 122.56 1ln3 h LYS 86 Ca -0.24 -0.68 -0.03 0.00 -0.85 0.00 0.00 60.65 58.85 1ln3 h LYS 86 Cb 1.09 0.25 -0.22 0.00 -0.60 0.00 0.00 32.23 32.76 1ln3 h LYS 86 CO 0.90 1.33 -0.03 -2.00 -3.45 0.00 0.00 179.45 176.20 1ln3 s GLU 87 N -2.55 0.67 -0.12 1.90 2.56 -1.25 -5.00 118.70 114.92 1ln3 s GLU 87 Ca -0.15 1.06 -0.05 0.00 0.00 0.00 0.00 54.97 55.83 1ln3 s GLU 87 Cb 0.04 0.18 0.06 0.00 2.00 0.00 0.00 34.13 36.41 1ln3 s GLU 87 CO 0.86 -0.13 0.27 -1.17 -0.56 0.00 0.00 175.26 174.52 1ln3 s LEU 88 N 1.22 -0.04 -0.01 2.70 2.96 -1.26 -1.44 118.68 122.80 1ln3 s LEU 88 Ca -0.07 0.59 -0.23 0.00 -0.22 0.00 0.00 54.13 54.20 1ln3 s LEU 88 Cb -0.05 0.75 0.05 0.00 0.50 0.00 0.00 46.19 47.44 1ln3 s LEU 88 CO -0.13 -0.21 0.51 -0.72 -1.32 0.00 0.00 176.35 174.48 1ln3 s TYR 89 N 1.96 -0.43 0.34 5.38 -0.85 -1.10 -4.89 117.35 117.76 1ln3 s TYR 89 Ca -0.03 0.66 0.08 0.00 -0.52 0.00 0.00 57.07 57.25 1ln3 s TYR 89 Cb -0.11 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1ln3 s TYR 89 CO -0.09 -0.54 0.27 -1.21 -1.52 0.00 0.00 175.55 172.46 1ln3 s GLU 90 N -1.54 2.66 -0.00 -3.49 2.02 -1.26 -1.53 118.70 115.55 1ln3 s GLU 90 Ca -0.10 -1.35 -0.29 0.00 0.02 0.00 0.00 54.97 53.25 1ln3 s GLU 90 Cb -0.02 -2.42 0.10 0.00 0.10 0.00 0.00 34.13 31.89 1ln3 s GLU 90 CO 0.05 0.09 0.90 1.14 0.02 0.00 0.00 175.26 177.46 1ln3 s GLN 91 N -3.97 0.82 -0.03 1.61 -2.07 -0.06 -4.96 119.66 110.99 1ln3 s GLN 91 Ca 0.40 -0.31 -0.12 0.00 -1.82 0.00 0.00 55.36 53.51 1ln3 s GLN 91 Cb -0.05 0.37 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1ln3 s GLN 91 CO 0.26 -0.36 0.32 -1.21 -1.32 0.00 0.00 175.29 172.98 1ln3 s GLU 92 N -3.11 3.76 -0.20 9.60 0.41 -1.26 0.15 118.70 128.06 1ln3 s GLU 92 Ca 0.05 0.24 -0.04 0.00 -0.41 0.00 0.00 54.97 54.81 1ln3 s GLU 92 Cb -0.01 -3.20 0.09 0.00 -1.78 0.00 0.00 34.13 29.23 1ln3 s GLU 92 CO -0.09 0.72 0.21 0.00 -0.49 0.00 0.00 175.26 175.61 1ln3 n ASN 94 N 5.32 0.00 0.15 0.00 5.03 -1.26 -2.61 115.26 121.88 1ln3 n ASN 94 Ca -0.06 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.43 1ln3 n ASN 94 Cb 0.49 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.29 1ln3 n ASN 94 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1ln3 h GLY 95 N 0.00 0.00 -0.91 7.41 0.00 -2.02 -3.47 103.07 104.09 1ln3 h GLY 95 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1ln3 h GLY 95 CO 0.00 0.00 0.22 -0.54 0.00 0.00 0.00 176.54 176.22 1ln3 s GLU 96 N -2.99 0.72 -0.14 4.80 2.02 -1.07 -5.02 118.70 117.02 1ln3 s GLU 96 Ca 0.04 0.53 -0.02 0.00 0.02 0.00 0.00 54.97 55.55 1ln3 s GLU 96 Cb 0.07 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1ln3 s GLU 96 CO 0.74 -2.54 -0.09 0.99 0.02 0.00 0.00 175.26 174.38 1ln3 s THR 97 N -3.01 3.40 -0.10 3.63 2.01 -1.26 -0.49 115.64 119.82 1ln3 s THR 97 Ca 0.65 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1ln3 s THR 97 Cb -0.18 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1ln3 s THR 97 CO 0.57 0.51 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.19 1ln3 s VAL 98 N 0.35 3.10 0.01 3.82 1.01 0.40 -3.84 120.40 125.25 1ln3 s VAL 98 Ca -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ln3 s VAL 98 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1ln3 s VAL 98 CO 0.05 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.02 1ln3 s VAL 99 N -0.08 4.22 -0.12 2.92 1.01 -0.14 -0.88 120.40 127.32 1ln3 s VAL 99 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1ln3 s VAL 99 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1ln3 s VAL 99 CO 0.04 0.35 -0.23 -0.47 0.00 0.00 0.00 175.10 174.79 1ln3 s TYR 100 N -1.12 2.62 -0.05 5.22 5.04 -0.58 -1.33 117.35 127.16 1ln3 s TYR 100 Ca 0.21 -1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 53.63 1ln3 s TYR 100 Cb -0.12 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.46 1ln3 s TYR 100 CO 0.12 -0.51 0.06 -0.46 -1.34 0.00 0.00 175.55 173.41 1ln3 s TRP 101 N 0.58 0.11 -0.21 4.97 -0.11 0.28 -2.70 118.94 121.85 1ln3 s TRP 101 Ca -0.13 0.21 -0.07 0.00 1.22 0.00 0.00 56.10 57.33 1ln3 s TRP 101 Cb -0.17 -0.51 -0.04 0.00 -1.50 0.00 0.00 33.47 31.26 1ln3 s TRP 101 CO 0.03 -0.21 0.07 -2.00 -4.62 0.00 0.00 176.95 170.22 1ln3 s GLU 102 N 2.16 3.85 -0.21 5.86 2.12 -0.52 -0.20 118.70 131.75 1ln3 s GLU 102 Ca 0.05 -0.39 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 1ln3 s GLU 102 Cb -0.12 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1ln3 s GLU 102 CO -0.03 0.08 0.08 0.08 -0.54 0.00 0.00 175.26 174.92 1ln3 s VAL 103 N 0.90 4.68 0.17 3.70 1.01 0.22 -1.06 120.40 130.01 1ln3 s VAL 103 Ca 0.04 -0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.64 1ln3 s VAL 103 Cb -0.14 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 1ln3 s VAL 103 CO 0.03 0.40 1.62 -0.54 0.00 0.00 0.00 175.10 176.60 1ln3 s LYS 104 N 0.88 4.19 0.01 2.72 1.02 0.06 -2.18 119.74 126.45 1ln3 s LYS 104 Ca 0.04 2.42 0.08 0.00 0.02 0.00 0.00 55.97 58.53 1ln3 s LYS 104 Cb -0.14 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1ln3 s LYS 104 CO 0.03 -0.65 -0.23 0.71 -0.92 0.00 0.00 175.35 174.28 1ln3 s TYR 105 N 1.30 2.07 -0.00 3.18 1.51 -1.26 -4.94 117.35 119.20 1ln3 s TYR 105 Ca 0.72 -0.39 -0.35 0.00 -1.01 0.00 0.00 57.07 56.03 1ln3 s TYR 105 Cb -0.45 -1.29 -0.14 0.00 -0.11 0.00 0.00 41.96 39.98 1ln3 s TYR 105 CO 0.32 0.03 1.68 -2.30 -1.11 0.00 0.00 175.55 174.16 1ln3 n PRO 106 N 2.19 1.87 -2.37 -1.71 -0.02 -1.26 -4.68 135.00 129.02 1ln3 n PRO 106 Ca -0.16 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 1ln3 n PRO 106 Cb 0.52 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1ln3 n PRO 106 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ln3 s PHE 107 N 2.38 3.00 -0.27 6.00 2.19 -1.26 -4.64 117.98 125.37 1ln3 s PHE 107 Ca 0.88 1.57 -0.28 0.00 0.33 0.00 0.00 56.93 59.43 1ln3 s PHE 107 Cb -0.78 -3.27 -0.04 0.00 -1.31 0.00 0.00 43.02 37.62 1ln3 s PHE 107 CO 0.48 -1.17 2.13 -1.25 1.83 0.00 0.00 175.22 177.24 1ln3 s PRO 108 N -2.72 3.09 0.13 10.12 0.04 -1.26 -5.24 135.00 139.16 1ln3 s PRO 108 Ca 0.63 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1ln3 s PRO 108 Cb -0.25 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 1ln3 s PRO 108 CO 0.31 -2.15 -0.17 -1.54 0.04 0.00 0.00 177.00 173.49 1ln3 s SER 110 N 8.07 2.36 0.70 6.66 1.04 -1.26 -5.14 113.70 126.13 1ln3 s SER 110 Ca 0.95 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1ln3 s SER 110 Cb -0.29 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1ln3 s SER 110 CO 0.34 -0.05 0.00 0.59 0.98 0.00 0.00 173.24 175.10 1ln3 n ASN 111 N 0.61 -1.26 -3.72 7.02 3.02 -1.26 -4.60 115.26 115.07 1ln3 n ASN 111 Ca -0.16 -0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.19 1ln3 n ASN 111 Cb 0.56 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.59 1ln3 n ASN 111 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ln3 s ARG 112 N -2.09 0.14 0.06 3.52 3.00 -0.93 -3.06 118.95 119.59 1ln3 s ARG 112 Ca 0.00 0.49 0.07 0.00 0.00 0.00 0.00 55.73 56.29 1ln3 s ARG 112 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 34.95 34.76 1ln3 s ARG 112 CO 0.00 -0.19 -0.15 0.16 0.00 0.00 0.00 175.30 175.12 1ln3 s ASP 113 N 1.45 4.02 -0.02 0.23 3.84 -0.39 0.72 116.67 126.52 1ln3 s ASP 113 Ca -0.07 -0.41 0.07 0.00 -0.00 0.00 0.00 52.55 52.14 1ln3 s ASP 113 Cb -0.11 -0.69 -0.02 0.00 -1.38 0.00 0.00 42.92 40.72 1ln3 s ASP 113 CO -0.07 0.23 -0.23 -0.31 -0.00 0.00 0.00 175.17 174.79 1ln3 s TYR 114 N -1.03 2.03 -0.19 2.11 1.51 0.72 0.05 117.35 122.55 1ln3 s TYR 114 Ca 0.17 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1ln3 s TYR 114 Cb -0.11 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1ln3 s TYR 114 CO 0.08 -0.04 -0.09 0.08 -1.11 0.00 0.00 175.55 174.47 1ln3 s VAL 115 N -0.53 1.52 0.27 0.71 1.01 -1.26 -0.56 120.40 121.56 1ln3 s VAL 115 Ca 0.09 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1ln3 s VAL 115 Cb -0.09 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1ln3 s VAL 115 CO -0.01 0.18 0.66 -0.72 0.00 0.00 0.00 175.10 175.21 1ln3 s TYR 116 N 1.45 -0.07 -0.09 5.22 -0.85 -0.44 -2.35 117.35 120.23 1ln3 s TYR 116 Ca -0.00 -0.36 -0.14 0.00 -0.52 0.00 0.00 57.07 56.05 1ln3 s TYR 116 Cb -0.16 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 1ln3 s TYR 116 CO -0.08 -1.17 0.34 -0.51 -1.52 0.00 0.00 175.55 172.61 1ln3 s LEU 117 N -2.94 4.36 -0.04 -3.49 1.43 0.15 -0.97 118.68 117.18 1ln3 s LEU 117 Ca 0.13 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1ln3 s LEU 117 Cb -0.05 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1ln3 s LEU 117 CO 0.07 0.21 -0.07 -0.60 0.23 0.00 0.00 176.35 176.19 1ln3 s ARG 118 N -0.30 1.03 -0.04 1.70 3.52 -1.25 -0.29 118.95 123.32 1ln3 s ARG 118 Ca 0.20 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1ln3 s ARG 118 Cb -0.15 -0.96 0.03 0.00 -1.56 0.00 0.00 34.95 32.32 1ln3 s ARG 118 CO 0.08 -0.01 0.06 -1.14 -0.81 0.00 0.00 175.30 173.49 1ln3 s GLN 119 N 0.68 -0.05 -0.21 5.12 0.74 0.18 -4.71 119.66 121.41 1ln3 s GLN 119 Ca -0.11 0.35 -0.06 0.00 0.05 0.00 0.00 55.36 55.59 1ln3 s GLN 119 Cb -0.13 -0.40 -0.03 0.00 1.10 0.00 0.00 33.01 33.54 1ln3 s GLN 119 CO 0.01 -0.28 0.04 0.50 -0.55 0.00 0.00 175.29 175.01 1ln3 s ARG 120 N 1.85 3.73 0.02 1.67 3.52 -1.26 -1.92 118.95 126.56 1ln3 s ARG 120 Ca 0.00 -0.46 0.08 0.00 -0.13 0.00 0.00 55.73 55.23 1ln3 s ARG 120 Cb -0.12 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1ln3 s ARG 120 CO -0.03 0.03 -0.24 1.03 -0.81 0.00 0.00 175.30 175.27 1ln3 s ARG 121 N 1.01 1.78 -0.51 5.12 0.52 0.25 -5.00 118.95 122.11 1ln3 s ARG 121 Ca 0.03 -0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 1ln3 s ARG 121 Cb -0.14 -1.86 0.13 0.00 0.52 0.00 0.00 34.95 33.60 1ln3 s ARG 121 CO 0.02 0.49 0.42 -0.51 0.02 0.00 0.00 175.30 175.74 1ln3 s ASP 122 N -0.98 5.92 0.59 0.23 1.01 -1.26 -0.78 116.67 121.40 1ln3 s ASP 122 Ca 0.10 -1.89 -0.08 0.00 0.71 0.00 0.00 52.55 51.40 1ln3 s ASP 122 Cb -0.09 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1ln3 s ASP 122 CO 0.01 -0.76 0.93 -0.76 0.21 0.00 0.00 175.17 174.80 1ln3 s LEU 123 N 1.43 3.29 0.37 1.23 1.43 0.15 -4.90 118.68 121.68 1ln3 s LEU 123 Ca 0.05 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1ln3 s LEU 123 Cb -0.27 -3.92 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 1ln3 s LEU 123 CO 0.01 -0.93 0.01 -1.81 0.23 0.00 0.00 176.35 173.86 1ln3 s ASP 124 N -4.23 3.38 0.00 2.29 1.01 -1.25 -0.66 116.67 117.22 1ln3 s ASP 124 Ca 0.53 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.44 1ln3 s ASP 124 Cb -0.11 -0.29 0.00 0.00 1.01 0.00 0.00 42.92 43.53 1ln3 s ASP 124 CO 0.48 -0.47 0.00 -0.62 0.21 0.00 0.00 175.17 174.77 1ln3 n GLU 126 N -0.86 0.00 -0.49 8.23 1.02 -1.26 -3.90 120.64 123.39 1ln3 n GLU 126 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1ln3 n GLU 126 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1ln3 n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ln3 n GLY 127 N 0.00 1.03 3.73 0.62 0.00 -1.26 -4.93 105.19 104.37 1ln3 n GLY 127 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ln3 n GLY 127 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ln3 s ARG 128 N -0.26 4.39 -0.42 1.61 3.52 -1.25 -5.03 118.95 121.50 1ln3 s ARG 128 Ca 0.00 0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 56.14 1ln3 s ARG 128 Cb 0.00 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1ln3 s ARG 128 CO 0.00 0.15 0.46 0.15 -0.81 0.00 0.00 175.30 175.25 1ln3 s LYS 129 N 0.57 3.12 -0.18 5.12 1.02 -1.26 -3.76 119.74 124.37 1ln3 s LYS 129 Ca 0.33 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 1ln3 s LYS 129 Cb -0.17 -3.97 -0.02 0.00 -0.52 0.00 0.00 37.83 33.15 1ln3 s LYS 129 CO 0.16 -0.88 -0.02 0.42 -0.92 0.00 0.00 175.35 174.10 1ln3 s ILE 130 N 2.23 3.83 -0.32 2.17 1.01 0.17 -4.59 121.20 125.69 1ln3 s ILE 130 Ca 0.13 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1ln3 s ILE 130 Cb -0.17 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1ln3 s ILE 130 CO 0.14 0.46 0.50 -1.00 0.00 0.00 0.00 174.94 175.04 1ln3 s HIS 131 N 0.76 3.20 -0.04 3.97 3.76 0.69 0.34 115.29 127.98 1ln3 s HIS 131 Ca -0.01 0.30 0.05 0.00 -0.15 0.00 0.00 55.06 55.25 1ln3 s HIS 131 Cb -0.14 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1ln3 s HIS 131 CO 0.02 -0.45 -0.16 0.08 -0.85 0.00 0.00 174.74 173.38 1ln3 s VAL 132 N 2.34 2.89 -0.01 -0.90 1.01 0.04 -0.41 120.40 125.36 1ln3 s VAL 132 Ca 0.19 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1ln3 s VAL 132 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1ln3 s VAL 132 CO 0.12 0.56 0.00 -0.63 0.00 0.00 0.00 175.10 175.16 1ln3 s ILE 133 N -0.73 0.03 0.09 2.22 1.01 -0.73 -0.59 121.20 122.50 1ln3 s ILE 133 Ca 0.12 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1ln3 s ILE 133 Cb -0.10 -0.07 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1ln3 s ILE 133 CO 0.01 0.04 -0.13 -0.76 0.00 0.00 0.00 174.94 174.10 1ln3 s LEU 134 N 0.28 2.35 -0.06 2.97 1.43 -0.81 -0.89 118.68 123.94 1ln3 s LEU 134 Ca -0.02 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1ln3 s LEU 134 Cb -0.04 -0.44 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1ln3 s LEU 134 CO -0.01 -0.16 0.37 0.00 0.23 0.00 0.00 176.35 176.79 1ln3 s ALA 135 N -1.89 -0.94 -0.02 4.21 0.00 -0.83 -0.65 121.76 121.64 1ln3 s ALA 135 Ca 0.03 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1ln3 s ALA 135 Cb -0.06 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.96 1ln3 s ALA 135 CO 0.02 -0.25 0.65 -0.98 0.00 0.00 0.00 175.76 175.19 1ln3 s ARG 136 N -0.83 1.07 0.33 0.00 1.70 0.60 -0.87 118.95 120.94 1ln3 s ARG 136 Ca -0.09 0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.01 1ln3 s ARG 136 Cb -0.04 0.50 -0.11 0.00 -0.57 0.00 0.00 34.95 34.73 1ln3 s ARG 136 CO 0.04 -0.35 1.48 -1.12 -1.08 0.00 0.00 175.30 174.27 1ln3 s SER 137 N -1.42 6.46 -0.05 -2.89 0.01 0.10 0.32 113.70 116.23 1ln3 s SER 137 Ca -0.09 2.92 -0.12 0.00 1.31 0.00 0.00 55.95 59.96 1ln3 s SER 137 Cb -0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1ln3 s SER 137 CO 0.06 -0.81 0.29 0.28 0.41 0.00 0.00 173.24 173.47 1ln3 s THR 138 N -0.66 0.04 0.00 1.44 -1.32 -0.99 -4.80 115.64 109.36 1ln3 s THR 138 Ca 0.56 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1ln3 s THR 138 Cb -0.45 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1ln3 s THR 138 CO 0.55 -0.18 0.00 -1.54 -2.21 0.00 0.00 174.62 171.24 1ln3 n SER 139 N 1.90 0.96 -0.08 8.08 3.41 -1.26 -4.28 113.62 122.35 1ln3 n SER 139 Ca -0.19 -0.78 -0.10 0.00 -0.26 0.00 0.00 58.87 57.54 1ln3 n SER 139 Cb 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 1ln3 n SER 139 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ln3 n PRO 141 N -0.41 0.67 0.18 4.33 -0.02 -1.26 -5.07 135.00 133.43 1ln3 n PRO 141 Ca 0.00 0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1ln3 n PRO 141 Cb 0.00 -1.33 0.34 0.00 -0.02 0.00 0.00 33.50 32.50 1ln3 n PRO 141 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ln3 h GLN 142 N 0.00 0.00 -3.43 -0.52 7.50 -2.06 -3.34 115.11 113.26 1ln3 h GLN 142 Ca -0.36 0.00 -0.71 0.00 0.50 0.00 0.00 58.65 58.08 1ln3 h GLN 142 Cb 1.60 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 28.78 1ln3 h GLN 142 CO -0.04 0.41 -0.17 -1.17 -1.50 0.00 0.00 178.83 176.35 1ln3 s LEU 143 N -7.71 5.52 0.79 1.46 0.20 -1.26 -5.05 118.68 112.63 1ln3 s LEU 143 Ca -0.02 -3.37 -0.05 0.00 0.69 0.00 0.00 54.13 51.38 1ln3 s LEU 143 Cb 0.13 -1.91 0.15 0.00 -0.43 0.00 0.00 46.19 44.13 1ln3 s LEU 143 CO 0.71 -0.27 1.08 -0.83 -0.29 0.00 0.00 176.35 176.76 1ln3 s GLY 144 N 0.28 1.76 0.74 7.98 0.00 -1.26 -5.05 107.32 111.78 1ln3 s GLY 144 Ca 0.23 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 43.20 1ln3 s GLY 144 CO -0.09 -0.99 1.15 -0.54 0.00 0.00 0.00 173.10 172.64 1ln3 s GLU 145 N -5.34 2.17 0.02 2.90 2.02 -1.26 -5.04 118.70 114.16 1ln3 s GLU 145 Ca 0.68 1.54 0.04 0.00 0.02 0.00 0.00 54.97 57.25 1ln3 s GLU 145 Cb -0.05 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 1ln3 s GLU 145 CO 0.47 -1.77 -0.06 1.03 0.02 0.00 0.00 175.26 174.95 1ln3 s ARG 146 N -4.21 2.52 0.08 1.61 0.52 -1.26 -5.10 118.95 113.11 1ln3 s ARG 146 Ca 0.69 -0.76 -0.26 0.00 -0.52 0.00 0.00 55.73 54.88 1ln3 s ARG 146 Cb -0.24 -2.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 1ln3 s ARG 146 CO 0.48 0.59 0.82 -1.12 0.02 0.00 0.00 175.30 176.08 1ln3 s SER 147 N -1.58 7.31 0.00 0.23 0.01 -1.26 -3.06 113.70 115.35 1ln3 s SER 147 Ca 0.18 1.57 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1ln3 s SER 147 Cb -0.11 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ln3 s SER 147 CO 0.09 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ln3 n GLY 148 N 2.22 3.07 3.51 3.44 0.00 -1.26 -5.02 105.19 111.16 1ln3 n GLY 148 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1ln3 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ln3 s VAL 149 N -2.56 3.29 -0.45 1.61 1.01 -1.17 -4.23 120.40 117.89 1ln3 s VAL 149 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1ln3 s VAL 149 Cb 0.00 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1ln3 s VAL 149 CO 0.00 0.59 0.65 -0.63 0.00 0.00 0.00 175.10 175.72 1ln3 s ILE 150 N -0.76 4.82 -0.24 2.22 1.01 -1.17 -4.33 121.20 122.74 1ln3 s ILE 150 Ca 0.12 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 1ln3 s ILE 150 Cb -0.11 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 1ln3 s ILE 150 CO 0.01 -0.64 1.66 -0.60 0.00 0.00 0.00 174.94 175.37 1ln3 s ARG 151 N 2.84 3.69 -0.62 2.79 6.06 -1.26 -1.26 118.95 131.18 1ln3 s ARG 151 Ca 0.22 1.61 -0.28 0.00 -2.50 0.00 0.00 55.73 54.79 1ln3 s ARG 151 Cb -0.15 -4.08 0.02 0.00 0.06 0.00 0.00 34.95 30.81 1ln3 s ARG 151 CO 0.18 -1.43 1.31 0.08 -2.50 0.00 0.00 175.30 172.94 1ln3 s VAL 152 N 5.60 3.84 -0.33 7.11 1.01 0.11 -4.85 120.40 132.88 1ln3 s VAL 152 Ca 0.74 0.67 0.23 0.00 0.00 0.00 0.00 61.98 63.62 1ln3 s VAL 152 Cb -0.24 -4.66 0.15 0.00 0.00 0.00 0.00 36.38 31.62 1ln3 s VAL 152 CO 0.31 -1.41 1.30 0.11 0.00 0.00 0.00 175.10 175.40 1ln3 h LYS 153 N 10.35 0.00 -5.14 2.72 1.57 -1.87 -3.41 116.57 120.79 1ln3 h LYS 153 Ca -0.26 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.85 1ln3 h LYS 153 Cb 1.07 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.05 1ln3 h LYS 153 CO 1.21 0.00 -0.85 -0.65 -0.57 0.00 0.00 179.45 178.59 1ln3 s GLN 154 N -3.29 3.06 -0.29 3.15 1.11 -1.26 -4.84 119.66 117.30 1ln3 s GLN 154 Ca 0.03 -0.82 -0.16 0.00 0.01 0.00 0.00 55.36 54.43 1ln3 s GLN 154 Cb 0.08 -2.55 0.12 0.00 -1.01 0.00 0.00 33.01 29.65 1ln3 s GLN 154 CO 0.74 -0.09 0.83 -0.47 0.01 0.00 0.00 175.29 176.31 1ln3 s TYR 155 N 1.02 -0.85 -0.11 0.91 5.04 -1.26 -1.93 117.35 120.18 1ln3 s TYR 155 Ca -0.02 1.66 -0.06 0.00 -2.44 0.00 0.00 57.07 56.21 1ln3 s TYR 155 Cb -0.15 0.51 0.04 0.00 0.35 0.00 0.00 41.96 42.71 1ln3 s TYR 155 CO -0.06 -0.42 0.26 -1.59 -1.34 0.00 0.00 175.55 172.40 1ln3 s LYS 156 N 1.63 0.24 0.17 4.97 -2.85 -0.05 -0.72 119.74 123.13 1ln3 s LYS 156 Ca -0.09 0.50 -0.04 0.00 -1.00 0.00 0.00 55.97 55.35 1ln3 s LYS 156 Cb -0.05 -0.05 -0.03 0.00 -2.06 0.00 0.00 37.83 35.64 1ln3 s LYS 156 CO -0.18 -0.13 0.16 -1.14 0.10 0.00 0.00 175.35 174.16 1ln3 s GLN 157 N 0.99 1.11 -0.27 1.78 0.74 -0.05 -1.85 119.66 122.12 1ln3 s GLN 157 Ca -0.07 -1.43 -0.25 0.00 0.05 0.00 0.00 55.36 53.66 1ln3 s GLN 157 Cb -0.08 0.30 0.09 0.00 1.10 0.00 0.00 33.01 34.42 1ln3 s GLN 157 CO -0.07 -0.37 0.86 -1.54 -0.55 0.00 0.00 175.29 173.63 1ln3 s SER 158 N -3.07 -0.61 0.06 6.67 1.04 -0.84 -1.96 113.70 114.99 1ln3 s SER 158 Ca 0.27 1.18 0.04 0.00 0.48 0.00 0.00 55.95 57.93 1ln3 s SER 158 Cb 0.06 1.20 -0.03 0.00 0.10 0.00 0.00 66.02 67.35 1ln3 s SER 158 CO 0.05 -0.21 -0.13 -0.22 0.98 0.00 0.00 173.24 173.72 1ln3 s LEU 159 N 0.29 2.24 -0.08 2.42 2.96 -0.07 -0.87 118.68 125.58 1ln3 s LEU 159 Ca 0.01 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1ln3 s LEU 159 Cb -0.05 -0.47 0.04 0.00 0.50 0.00 0.00 46.19 46.22 1ln3 s LEU 159 CO -0.02 -0.07 0.12 0.00 -1.32 0.00 0.00 176.35 175.06 1ln3 s ALA 160 N -1.17 0.03 -0.09 5.97 0.00 0.28 -1.78 121.76 124.99 1ln3 s ALA 160 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1ln3 s ALA 160 Cb -0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1ln3 s ALA 160 CO 0.02 -0.61 -0.08 0.42 0.00 0.00 0.00 175.76 175.51 1ln3 s ILE 161 N 2.24 3.61 0.31 0.00 -1.09 0.45 -1.45 121.20 125.27 1ln3 s ILE 161 Ca 0.04 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 1ln3 s ILE 161 Cb -0.12 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1ln3 s ILE 161 CO -0.05 0.57 0.25 -1.61 -1.23 0.00 0.00 174.94 172.87 1ln3 s GLU 162 N -0.45 1.66 0.02 2.79 2.02 0.10 -0.22 118.70 124.62 1ln3 s GLU 162 Ca 0.07 -1.95 -0.16 0.00 0.02 0.00 0.00 54.97 52.94 1ln3 s GLU 162 Cb -0.12 0.29 -0.06 0.00 0.10 0.00 0.00 34.13 34.34 1ln3 s GLU 162 CO 0.02 -0.60 0.47 0.45 0.02 0.00 0.00 175.26 175.62 1ln3 s SER 163 N -3.34 6.90 0.00 -0.19 0.15 -1.26 -0.24 113.70 115.71 1ln3 s SER 163 Ca 0.40 1.07 0.15 0.00 0.70 0.00 0.00 55.95 58.27 1ln3 s SER 163 Cb 0.03 -2.29 0.90 0.00 -1.71 0.00 0.00 66.02 62.95 1ln3 s SER 163 CO 0.25 0.30 1.33 -0.90 1.20 0.00 0.00 173.24 175.42 1ln3 n ASP 164 N 1.81 0.00 0.00 5.45 5.75 0.88 -4.36 116.55 126.08 1ln3 n ASP 164 Ca -0.13 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1ln3 n ASP 164 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ln3 n ASP 164 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ln3 n GLY 165 N 0.14 2.96 0.00 6.12 0.00 -1.26 -4.92 105.19 108.23 1ln3 n GLY 165 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ln3 n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ln3 n LYS 166 N 0.00 0.00 -0.09 1.61 5.02 -1.26 -4.98 118.16 118.45 1ln3 n LYS 166 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1ln3 n LYS 166 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 1ln3 n LYS 166 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ln3 n LYS 167 N 0.00 2.23 0.00 1.97 2.85 -1.26 -5.04 118.16 118.91 1ln3 n LYS 167 Ca 0.00 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 1ln3 n LYS 167 Cb 0.00 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 1ln3 n LYS 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ln3 n GLY 168 N 0.26 6.18 3.20 2.58 0.00 -1.26 -3.03 105.19 113.10 1ln3 n GLY 168 Ca 0.07 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 1ln3 n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ln3 s SER 169 N 1.00 1.49 -0.16 1.61 1.04 -0.93 -0.09 113.70 117.67 1ln3 s SER 169 Ca 0.00 -0.90 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 1ln3 s SER 169 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1ln3 s SER 169 CO 0.00 -0.32 0.06 -0.75 0.98 0.00 0.00 173.24 173.21 1ln3 s LYS 170 N -3.24 3.75 0.13 4.02 2.20 0.66 -1.57 119.74 125.70 1ln3 s LYS 170 Ca 0.10 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 1ln3 s LYS 170 Cb 0.00 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1ln3 s LYS 170 CO -0.01 0.40 -0.12 0.14 -0.36 0.00 0.00 175.35 175.40 1ln3 s VAL 171 N 0.01 1.20 0.23 4.02 -7.23 -0.46 -0.72 120.40 117.45 1ln3 s VAL 171 Ca 0.06 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1ln3 s VAL 171 Cb -0.12 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1ln3 s VAL 171 CO 0.01 -0.57 0.32 0.12 -0.31 0.00 0.00 175.10 174.67 1ln3 s PHE 172 N -2.64 0.79 -0.28 2.82 5.36 -0.53 -3.24 117.98 120.26 1ln3 s PHE 172 Ca 0.11 -1.07 -0.17 0.00 -0.96 0.00 0.00 56.93 54.84 1ln3 s PHE 172 Cb -0.02 -0.18 0.12 0.00 -0.34 0.00 0.00 43.02 42.60 1ln3 s PHE 172 CO 0.02 -0.84 0.87 -0.47 -1.46 0.00 0.00 175.22 173.34 1ln3 s TYR 174 N -4.02 -0.74 -0.00 10.12 5.04 -0.05 0.10 117.35 127.80 1ln3 s TYR 174 Ca 0.31 1.51 0.02 0.00 -2.44 0.00 0.00 57.07 56.47 1ln3 s TYR 174 Cb 0.03 0.44 -0.00 0.00 0.35 0.00 0.00 41.96 42.78 1ln3 s TYR 174 CO 0.11 -0.37 -0.06 -0.47 -1.34 0.00 0.00 175.55 173.43 1ln3 s TYR 175 N 1.31 0.50 -0.26 4.97 5.04 -0.63 -1.99 117.35 126.30 1ln3 s TYR 175 Ca -0.08 -0.10 -0.22 0.00 -2.44 0.00 0.00 57.07 54.23 1ln3 s TYR 175 Cb -0.04 -0.32 0.07 0.00 0.35 0.00 0.00 41.96 42.01 1ln3 s TYR 175 CO -0.15 -0.01 0.68 0.12 -1.34 0.00 0.00 175.55 174.85 1ln3 s PHE 176 N -0.14 -0.81 -0.01 4.97 5.36 -0.77 -1.12 117.98 125.46 1ln3 s PHE 176 Ca 0.02 1.88 -0.28 0.00 -0.96 0.00 0.00 56.93 57.59 1ln3 s PHE 176 Cb -0.02 0.33 0.10 0.00 -0.34 0.00 0.00 43.02 43.08 1ln3 s PHE 176 CO -0.00 -0.39 0.83 0.16 -1.46 0.00 0.00 175.22 174.36 1ln3 s ASP 177 N 0.62 -0.44 -0.47 6.13 1.47 -1.26 -0.87 116.67 121.84 1ln3 s ASP 177 Ca -0.02 0.16 -0.13 0.00 1.18 0.00 0.00 52.55 53.74 1ln3 s ASP 177 Cb -0.05 0.43 0.09 0.00 -0.34 0.00 0.00 42.92 43.05 1ln3 s ASP 177 CO -0.03 -0.63 0.37 0.21 0.68 0.00 0.00 175.17 175.77 1ln3 s ASN 178 N -2.12 5.95 0.39 2.11 3.84 -0.81 -4.83 114.94 119.47 1ln3 s ASN 178 Ca 0.01 -1.53 0.26 0.00 0.21 0.00 0.00 52.86 51.81 1ln3 s ASN 178 Cb -0.01 -2.11 1.41 0.00 -0.55 0.00 0.00 41.25 39.99 1ln3 s ASN 178 CO -0.05 -0.66 1.79 -0.65 -2.79 0.00 0.00 177.10 174.74 1ln3 h PRO 179 N 8.64 0.00 -2.40 0.43 0.11 -1.99 -3.42 132.00 133.37 1ln3 h PRO 179 Ca -0.26 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.62 1ln3 h PRO 179 Cb 1.10 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.23 1ln3 h PRO 179 CO 0.87 0.00 -0.32 0.41 -0.21 0.00 0.00 178.00 178.75 1ln3 n GLY 180 N -1.25 -0.01 0.00 -0.55 0.00 -1.26 -4.93 105.19 97.19 1ln3 n GLY 180 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ln3 n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ln3 n GLY 181 N -1.13 1.27 3.80 -0.02 0.00 -1.26 -5.11 105.19 102.74 1ln3 n GLY 181 Ca -0.08 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1ln3 n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ln3 s GLN 182 N -2.00 4.07 -0.22 1.61 -0.21 -1.26 -5.04 119.66 116.61 1ln3 s GLN 182 Ca 0.00 1.35 -0.03 0.00 0.02 0.00 0.00 55.36 56.70 1ln3 s GLN 182 Cb 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.71 1ln3 s GLN 182 CO 0.00 -0.19 -0.07 0.42 -2.12 0.00 0.00 175.29 173.33 1ln3 s ILE 183 N -1.90 3.10 0.26 1.08 1.09 -1.26 -5.09 121.20 118.48 1ln3 s ILE 183 Ca 0.62 -0.63 -0.31 0.00 -1.10 0.00 0.00 60.65 59.23 1ln3 s ILE 183 Cb -0.16 -2.42 -0.12 0.00 -1.06 0.00 0.00 42.46 38.70 1ln3 s ILE 183 CO 0.21 0.41 1.65 -2.84 -0.10 0.00 0.00 174.94 174.27 1ln3 s PRO 184 N 1.43 4.12 0.32 2.79 0.02 -1.26 -4.87 135.00 137.55 1ln3 s PRO 184 Ca 0.05 2.59 0.09 0.00 0.02 0.00 0.00 61.00 63.76 1ln3 s PRO 184 Cb -0.14 -3.04 0.90 0.00 0.02 0.00 0.00 34.50 32.24 1ln3 s PRO 184 CO -0.05 -0.69 1.70 0.66 -0.33 0.00 0.00 177.00 178.30 1ln3 h SER 185 N 5.68 0.54 -0.06 2.53 4.64 -1.99 1.50 113.55 126.39 1ln3 h SER 185 Ca -0.45 0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1ln3 h SER 185 Cb 1.21 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ln3 h SER 185 CO 0.86 0.01 0.05 4.11 -0.87 0.00 0.00 176.83 180.99 1ln3 h TRP 186 N 0.46 0.00 -0.02 4.77 5.08 -1.98 0.45 115.95 124.72 1ln3 h TRP 186 Ca 0.65 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 60.39 1ln3 h TRP 186 Cb 1.31 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.48 1ln3 h TRP 186 CO -0.04 0.00 -0.93 1.25 -1.28 0.00 0.00 178.44 177.44 1ln3 h LEU 187 N 0.00 0.63 0.11 0.11 5.85 0.18 0.13 115.31 122.32 1ln3 h LEU 187 Ca 0.03 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1ln3 h LEU 187 Cb 0.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1ln3 h LEU 187 CO -0.00 1.28 -0.05 0.40 -0.34 0.00 0.00 178.44 179.73 1ln3 h ILE 188 N 0.29 1.04 -0.57 4.05 1.08 -0.45 0.09 117.51 123.04 1ln3 h ILE 188 Ca -0.08 -0.62 0.12 0.00 -0.39 0.00 0.00 64.86 63.88 1ln3 h ILE 188 Cb 1.56 1.44 -0.10 0.00 -3.07 0.00 0.00 36.82 36.65 1ln3 h ILE 188 CO 0.17 0.15 -0.04 -1.13 -0.69 0.00 0.00 178.15 176.60 1ln3 h ASN 189 N -0.44 -0.34 0.11 1.72 -0.73 -0.13 0.13 115.58 115.91 1ln3 h ASN 189 Ca -0.02 0.15 0.02 0.00 1.87 0.00 0.00 56.30 58.32 1ln3 h ASN 189 Cb 0.36 0.28 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 1ln3 h ASN 189 CO 0.02 -0.13 -0.32 -0.25 -0.37 0.00 0.00 177.43 176.39 1ln3 h TRP 190 N 0.08 -0.87 0.32 0.67 7.01 -0.26 -1.18 115.95 121.72 1ln3 h TRP 190 Ca 0.29 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.31 1ln3 h TRP 190 Cb 0.45 0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 1ln3 h TRP 190 CO -0.38 -0.42 -0.37 0.00 -2.79 0.00 0.00 178.44 174.47 1ln3 h ALA 191 N 0.12 -0.77 -0.88 2.65 0.00 0.24 1.02 119.26 121.64 1ln3 h ALA 191 Ca 0.03 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ln3 h ALA 191 Cb 0.57 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1ln3 h ALA 191 CO -0.19 -0.98 0.57 0.00 0.00 0.00 0.00 179.25 178.65 1ln3 h ALA 192 N -0.27 1.66 0.04 0.00 0.00 -0.73 0.38 119.26 120.33 1ln3 h ALA 192 Ca -0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1ln3 h ALA 192 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ln3 h ALA 192 CO -0.09 0.16 -0.99 0.87 0.00 0.00 0.00 179.25 179.20 1ln3 h LYS 193 N 0.86 0.08 0.00 0.00 1.79 -0.89 -3.42 116.57 114.99 1ln3 h LYS 193 Ca 0.41 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1ln3 h LYS 193 Cb 0.42 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1ln3 h LYS 193 CO -0.17 1.07 -0.74 -1.71 -1.08 0.00 0.00 179.45 176.82 1ln3 n ASN 194 N -4.30 0.70 0.00 0.86 4.05 0.34 -4.69 115.26 112.21 1ln3 n ASN 194 Ca -0.24 0.10 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1ln3 n ASN 194 Cb 0.70 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1ln3 n ASN 194 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ln3 n GLY 195 N 2.96 -2.98 0.40 8.20 0.00 -0.18 -1.50 105.19 112.09 1ln3 n GLY 195 Ca -0.05 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 1ln3 n GLY 195 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ln3 h VAL 196 N 0.00 0.19 -0.66 1.61 2.07 -0.52 -1.60 116.25 117.34 1ln3 h VAL 196 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1ln3 h VAL 196 Cb 0.00 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 29.85 1ln3 h VAL 196 CO 0.00 0.00 -0.53 -0.65 0.02 0.00 0.00 177.57 176.41 1ln3 h PRO 197 N -0.63 -0.21 -0.91 1.57 0.11 -1.70 0.21 132.00 130.44 1ln3 h PRO 197 Ca 0.03 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1ln3 h PRO 197 Cb 0.66 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.76 1ln3 h PRO 197 CO -0.24 -0.14 0.60 -0.91 -0.21 0.00 0.00 178.00 177.10 1ln3 h ASN 198 N -0.22 0.99 0.20 -2.05 -0.26 -1.18 -1.55 115.58 111.52 1ln3 h ASN 198 Ca 0.14 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 1ln3 h ASN 198 Cb 0.53 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1ln3 h ASN 198 CO -0.75 0.68 -0.15 0.15 -1.06 0.00 0.00 177.43 176.31 1ln3 h PHE 199 N 1.15 -0.41 -1.32 1.19 3.57 0.31 0.24 116.94 121.67 1ln3 h PHE 199 Ca 0.36 -0.00 0.41 0.00 3.53 0.00 0.00 57.97 62.27 1ln3 h PHE 199 Cb 0.01 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 38.79 1ln3 h PHE 199 CO -0.00 -0.21 0.88 -0.07 -2.23 0.00 0.00 178.31 176.68 1ln3 h LEU 200 N -0.34 0.23 0.74 0.59 3.38 -0.61 0.25 115.31 119.55 1ln3 h LEU 200 Ca -0.03 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ln3 h LEU 200 Cb 0.28 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ln3 h LEU 200 CO 0.01 -0.09 -0.36 0.50 0.09 0.00 0.00 178.44 178.59 1ln3 h LYS 201 N 0.12 -0.96 0.00 1.13 3.64 -0.48 -2.39 116.57 117.64 1ln3 h LYS 201 Ca 0.76 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 60.21 1ln3 h LYS 201 Cb 2.47 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 34.51 1ln3 h LYS 201 CO -0.30 -0.64 0.00 -0.25 -2.27 0.00 0.00 179.45 175.99 1ln3 n ASP 202 N -5.41 0.00 0.00 4.20 8.00 0.89 -2.33 116.55 121.90 1ln3 n ASP 202 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1ln3 n ASP 202 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1ln3 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ln3 n ALA 204 N 0.23 0.00 -0.26 2.24 0.00 -0.90 -2.39 120.51 119.43 1ln3 n ALA 204 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1ln3 n ALA 204 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 1ln3 n ALA 204 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ln3 h ARG 205 N 0.00 0.78 -0.22 0.00 2.43 -1.72 0.14 114.38 115.79 1ln3 h ARG 205 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1ln3 h ARG 205 Cb 0.00 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1ln3 h ARG 205 CO 0.00 0.51 -0.06 0.00 -1.51 0.00 0.00 179.97 178.92 1ln3 h ALA 206 N 1.58 1.49 -0.32 2.80 0.00 -1.73 0.41 119.26 123.49 1ln3 h ALA 206 Ca 0.41 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1ln3 h ALA 206 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ln3 h ALA 206 CO -0.17 0.36 -0.47 0.00 0.00 0.00 0.00 179.25 178.97 1ln3 h GLN 208 N 0.67 -0.18 0.00 0.00 4.15 -0.91 -2.66 115.11 116.18 1ln3 h GLN 208 Ca 0.03 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1ln3 h GLN 208 Cb 1.08 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1ln3 h GLN 208 CO 0.11 0.10 0.00 -0.91 -1.93 0.00 0.00 178.83 176.20 1ln3 h ASN 209 N -0.47 0.00 0.00 -0.69 2.35 -0.87 -3.52 115.58 112.39 1ln3 h ASN 209 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ln3 h ASN 209 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1ln3 h ASN 209 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81