#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nv0 s LEU 2 N 0.00 4.47 -0.11 3.17 1.43 -1.26 -4.93 118.68 121.45 2nv0 s LEU 2 Ca 0.00 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 2nv0 s LEU 2 Cb 0.00 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2nv0 s LEU 2 CO 0.00 -0.14 -0.23 -0.89 0.23 0.00 0.00 176.35 175.32 2nv0 s THR 3 N -1.30 2.11 -0.12 5.49 2.01 -1.26 -0.91 115.64 121.66 2nv0 s THR 3 Ca 0.47 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2nv0 s THR 3 Cb -0.27 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2nv0 s THR 3 CO 0.35 0.56 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.04 2nv0 s ILE 4 N 0.44 2.71 0.36 1.82 1.01 0.73 -0.91 121.20 127.37 2nv0 s ILE 4 Ca -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 2nv0 s ILE 4 Cb -0.17 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2nv0 s ILE 4 CO 0.07 0.54 0.63 -0.83 0.00 0.00 0.00 174.94 175.34 2nv0 s GLY 5 N 0.36 1.63 -0.10 6.18 0.00 -0.06 -1.39 107.32 113.94 2nv0 s GLY 5 Ca -0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 2nv0 s GLY 5 CO 0.07 -0.49 -0.05 0.14 0.00 0.00 0.00 173.10 172.76 2nv0 s VAL 6 N -2.34 0.81 0.00 1.40 1.01 -0.09 -0.44 120.40 120.75 2nv0 s VAL 6 Ca 0.44 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2nv0 s VAL 6 Cb -0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 2nv0 s VAL 6 CO 0.35 0.33 1.40 -0.22 0.00 0.00 0.00 175.10 176.96 2nv0 s LEU 7 N 1.71 4.32 0.00 3.92 2.96 -0.21 -0.59 118.68 130.80 2nv0 s LEU 7 Ca 0.04 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 2nv0 s LEU 7 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2nv0 s LEU 7 CO -0.06 -0.72 0.00 0.61 -1.32 0.00 0.00 176.35 174.86 2nv0 n GLY 8 N 3.64 0.94 0.81 7.98 0.00 -0.18 -4.53 105.19 113.85 2nv0 n GLY 8 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2nv0 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nv0 n ALA 12 N -1.00 0.00 -0.07 4.61 0.00 -1.26 -3.86 120.51 118.93 2nv0 n ALA 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2nv0 n ALA 12 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2nv0 n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2nv0 h VAL 13 N 0.64 1.28 -0.59 0.00 2.07 -1.98 0.10 116.25 117.78 2nv0 h VAL 13 Ca 0.00 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.17 2nv0 h VAL 13 Cb 0.00 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2nv0 h VAL 13 CO 0.00 0.47 0.22 -0.09 0.02 0.00 0.00 177.57 178.19 2nv0 h ARG 14 N 0.64 0.39 -0.15 1.57 2.43 -2.02 0.13 114.38 117.36 2nv0 h ARG 14 Ca 0.07 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 2nv0 h ARG 14 Cb 0.82 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2nv0 h ARG 14 CO 0.07 0.25 -0.49 0.93 -1.51 0.00 0.00 179.97 179.23 2nv0 h GLU 15 N 0.40 0.40 -0.41 0.20 3.07 -1.70 -1.13 114.58 115.41 2nv0 h GLU 15 Ca 0.29 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 2nv0 h GLU 15 Cb 0.35 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2nv0 h GLU 15 CO -0.29 0.80 -0.08 0.45 -1.40 0.00 0.00 179.01 178.49 2nv0 h HIS 16 N 0.32 0.87 -0.46 4.33 3.86 -0.35 -2.16 115.15 121.56 2nv0 h HIS 16 Ca 0.02 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2nv0 h HIS 16 Cb 0.97 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2nv0 h HIS 16 CO 0.03 0.89 0.29 0.82 0.86 0.00 0.00 177.93 180.81 2nv0 h ILE 17 N 0.59 1.13 -0.66 2.45 1.08 -0.57 -1.14 117.51 120.39 2nv0 h ILE 17 Ca 0.11 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 2nv0 h ILE 17 Cb 0.60 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2nv0 h ILE 17 CO 0.04 0.13 0.42 -0.74 -0.69 0.00 0.00 178.15 177.31 2nv0 h HIS 18 N 0.61 0.79 -0.38 1.37 2.76 -1.13 -0.16 115.15 119.01 2nv0 h HIS 18 Ca 0.17 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2nv0 h HIS 18 Cb -0.03 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 2nv0 h HIS 18 CO -0.04 0.46 0.12 0.00 -1.30 0.00 0.00 177.93 177.18 2nv0 h ALA 19 N 1.28 0.49 -0.21 5.26 0.00 -1.14 0.71 119.26 125.64 2nv0 h ALA 19 Ca 0.26 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2nv0 h ALA 19 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2nv0 h ALA 19 CO -0.09 0.13 -0.13 0.82 0.00 0.00 0.00 179.25 179.97 2nv0 h ILE 20 N 0.46 0.61 -0.85 0.00 2.04 -0.88 -1.75 117.51 117.14 2nv0 h ILE 20 Ca 0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2nv0 h ILE 20 Cb 0.24 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2nv0 h ILE 20 CO -0.01 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.34 2nv0 h GLU 21 N -0.12 1.14 -0.07 2.37 5.08 -0.84 -1.36 114.58 120.78 2nv0 h GLU 21 Ca 0.12 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2nv0 h GLU 21 Cb 0.30 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2nv0 h GLU 21 CO -0.28 0.78 0.07 0.00 -1.00 0.00 0.00 179.01 178.58 2nv0 h ALA 22 N 1.42 1.67 -0.48 3.43 0.00 -0.26 -0.68 119.26 124.35 2nv0 h ALA 22 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2nv0 h ALA 22 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2nv0 h ALA 22 CO -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2nv0 n GLY 24 N 1.27 0.45 3.68 0.00 0.00 -0.26 -5.05 105.19 105.27 2nv0 n GLY 24 Ca 0.16 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2nv0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nv0 s ALA 25 N -2.00 3.32 0.13 4.61 0.00 -1.06 -4.77 121.76 121.99 2nv0 s ALA 25 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 49.98 2nv0 s ALA 25 Cb 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 2nv0 s ALA 25 CO 0.00 0.09 0.53 0.00 0.00 0.00 0.00 175.76 176.39 2nv0 s ALA 26 N -2.44 3.60 -0.05 0.00 0.00 -0.08 -3.56 121.76 119.23 2nv0 s ALA 26 Ca 0.35 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2nv0 s ALA 26 Cb -0.02 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 2nv0 s ALA 26 CO 0.21 0.47 -0.08 0.20 0.00 0.00 0.00 175.76 176.56 2nv0 s GLY 27 N -1.69 1.69 -0.06 0.00 0.00 -1.26 -0.19 107.32 105.82 2nv0 s GLY 27 Ca 0.37 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.18 2nv0 s GLY 27 CO 0.19 -0.73 -0.11 -2.27 0.00 0.00 0.00 173.10 170.18 2nv0 s LEU 28 N -0.95 1.63 -0.33 0.66 2.96 -0.49 -4.92 118.68 117.24 2nv0 s LEU 28 Ca 0.13 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 2nv0 s LEU 28 Cb -0.11 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.86 2nv0 s LEU 28 CO 0.03 0.03 1.09 -0.69 -1.32 0.00 0.00 176.35 175.49 2nv0 s VAL 29 N 0.61 4.47 -0.55 1.68 1.01 -1.26 -0.91 120.40 125.45 2nv0 s VAL 29 Ca -0.12 1.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 2nv0 s VAL 29 Cb -0.14 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 31.87 2nv0 s VAL 29 CO 0.03 -0.53 0.73 -0.69 0.00 0.00 0.00 175.10 174.63 2nv0 s VAL 30 N 3.75 4.73 -0.06 2.92 1.01 0.25 -4.83 120.40 128.17 2nv0 s VAL 30 Ca 0.46 -0.44 0.17 0.00 0.00 0.00 0.00 61.98 62.17 2nv0 s VAL 30 Cb -0.12 -4.41 -0.26 0.00 0.00 0.00 0.00 36.38 31.58 2nv0 s VAL 30 CO 0.17 -0.98 0.32 0.29 0.00 0.00 0.00 175.10 174.90 2nv0 n LYS 31 N 6.58 0.71 -4.34 2.72 5.02 -1.25 -1.01 118.16 126.58 2nv0 n LYS 31 Ca -0.05 -0.13 -0.19 0.00 -2.02 0.00 0.00 58.31 55.92 2nv0 n LYS 31 Cb 0.45 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.89 2nv0 n LYS 31 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nv0 s ARG 32 N -3.06 0.79 0.53 1.97 0.52 -1.26 -4.97 118.95 113.47 2nv0 s ARG 32 Ca -0.07 -0.51 0.20 0.00 -0.52 0.00 0.00 55.73 54.82 2nv0 s ARG 32 Cb 0.10 -0.75 1.39 0.00 0.52 0.00 0.00 34.95 36.21 2nv0 s ARG 32 CO 0.74 0.19 2.16 -1.00 0.02 0.00 0.00 175.30 177.41 2nv0 h PRO 33 N 5.45 0.00 -0.54 3.54 0.13 -1.93 0.09 132.00 138.75 2nv0 h PRO 33 Ca -0.34 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.91 2nv0 h PRO 33 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2nv0 h PRO 33 CO 0.47 0.02 0.37 1.05 -0.23 0.00 0.00 178.00 179.68 2nv0 h GLU 34 N 0.00 0.20 0.00 0.86 4.11 -1.97 -0.86 114.58 116.92 2nv0 h GLU 34 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2nv0 h GLU 34 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2nv0 h GLU 34 CO 0.00 0.13 0.00 1.96 0.07 0.00 0.00 179.01 181.17 2nv0 h GLN 35 N 0.20 0.00 0.00 1.06 4.20 -1.40 -2.47 115.11 116.70 2nv0 h GLN 35 Ca 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2nv0 h GLN 35 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2nv0 h GLN 35 CO -0.04 0.00 -0.06 -0.07 -0.67 0.00 0.00 178.83 177.99 2nv0 h LEU 36 N 0.00 0.00 -0.40 1.46 3.38 -1.28 -0.22 115.31 118.24 2nv0 h LEU 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nv0 h LEU 36 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2nv0 h LEU 36 CO 0.00 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.18 2nv0 n ASN 37 N -3.81 0.47 -0.69 -0.43 5.03 -0.93 -3.26 115.26 111.65 2nv0 n ASN 37 Ca -0.03 0.60 0.13 0.00 0.87 0.00 0.00 54.58 56.16 2nv0 n ASN 37 Cb 0.15 -0.71 0.30 0.00 -1.02 0.00 0.00 39.78 38.50 2nv0 n ASN 37 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2nv0 n GLU 38 N -2.01 1.92 -4.26 3.52 1.02 -0.10 -4.93 120.64 115.81 2nv0 n GLU 38 Ca 0.03 -1.39 -0.19 0.00 -0.02 0.00 0.00 57.16 55.59 2nv0 n GLU 38 Cb 0.24 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 2nv0 n GLU 38 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2nv0 s VAL 39 N -2.04 1.42 -0.22 2.62 -7.23 -1.20 -4.88 120.40 108.88 2nv0 s VAL 39 Ca 0.32 -1.75 0.22 0.00 -1.81 0.00 0.00 61.98 58.97 2nv0 s VAL 39 Cb 0.20 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2nv0 s VAL 39 CO 0.33 -0.39 0.90 0.47 -0.31 0.00 0.00 175.10 176.10 2nv0 n ASP 40 N 0.50 0.61 -3.80 4.85 8.00 -0.09 -4.99 116.55 121.65 2nv0 n ASP 40 Ca -0.15 0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 2nv0 n ASP 40 Cb 0.57 0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 42.51 2nv0 n ASP 40 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2nv0 s GLY 41 N -4.34 -0.11 -0.02 0.44 0.00 -1.23 -3.86 107.32 98.20 2nv0 s GLY 41 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.47 2nv0 s GLY 41 CO 0.82 -0.12 -0.03 -2.27 0.00 0.00 0.00 173.10 171.50 2nv0 s LEU 42 N -2.90 1.58 -0.20 0.66 2.96 -0.53 -0.88 118.68 119.36 2nv0 s LEU 42 Ca 0.10 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 2nv0 s LEU 42 Cb -0.04 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 2nv0 s LEU 42 CO 0.03 -0.02 0.13 -0.63 -1.32 0.00 0.00 176.35 174.54 2nv0 s ILE 43 N 0.49 5.36 -0.46 6.68 1.01 0.42 -0.99 121.20 133.71 2nv0 s ILE 43 Ca -0.05 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 2nv0 s ILE 43 Cb -0.09 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 39.05 2nv0 s ILE 43 CO -0.01 0.44 0.32 -0.76 0.00 0.00 0.00 174.94 174.93 2nv0 s LEU 44 N 0.39 5.61 0.00 2.97 1.02 0.32 -1.05 118.68 127.95 2nv0 s LEU 44 Ca 0.08 -1.96 -0.04 0.00 0.02 0.00 0.00 54.13 52.23 2nv0 s LEU 44 Cb -0.11 -1.97 0.13 0.00 0.02 0.00 0.00 46.19 44.25 2nv0 s LEU 44 CO -0.02 -0.66 0.81 -0.81 0.02 0.00 0.00 176.35 175.70 2nv0 n PRO 45 N 4.82 -0.26 0.00 1.29 -0.04 -1.26 -1.46 135.00 138.09 2nv0 n PRO 45 Ca -0.06 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 2nv0 n PRO 45 Cb 0.41 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 2nv0 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nv0 n GLY 46 N -0.86 0.16 0.00 0.55 0.00 -1.19 -2.74 105.19 101.11 2nv0 n GLY 46 Ca 0.12 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2nv0 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nv0 n GLY 47 N 5.00 2.29 3.69 -0.02 0.00 -1.26 -4.83 105.19 110.06 2nv0 n GLY 47 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 2nv0 n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nv0 s GLU 48 N -1.72 4.41 0.25 1.61 4.04 -1.26 -4.90 118.70 121.12 2nv0 s GLU 48 Ca 0.00 1.32 0.23 0.00 0.04 0.00 0.00 54.97 56.55 2nv0 s GLU 48 Cb 0.00 -3.54 0.78 0.00 0.02 0.00 0.00 34.13 31.39 2nv0 s GLU 48 CO 0.00 -0.29 0.70 -1.13 -1.84 0.00 0.00 175.26 172.70 2nv0 n SER 49 N 4.95 0.00 0.40 0.83 3.41 -1.26 -1.96 113.62 119.99 2nv0 n SER 49 Ca 0.08 0.45 -0.16 0.00 -0.26 0.00 0.00 58.87 58.98 2nv0 n SER 49 Cb 0.49 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 2nv0 n SER 49 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2nv0 h THR 50 N 0.00 0.00 -0.64 6.66 2.02 -1.98 -2.22 112.91 116.75 2nv0 h THR 50 Ca 0.42 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 2nv0 h THR 50 Cb 1.70 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2nv0 h THR 50 CO -0.01 0.00 0.21 0.74 0.37 0.00 0.00 175.52 176.83 2nv0 h THR 51 N -1.22 1.24 -0.19 3.16 2.02 -1.80 0.48 112.91 116.60 2nv0 h THR 51 Ca -0.11 -0.82 -0.17 0.00 0.77 0.00 0.00 66.41 66.09 2nv0 h THR 51 Cb 0.79 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2nv0 h THR 51 CO 0.17 0.32 -0.54 -0.03 0.37 0.00 0.00 175.52 175.81 2nv0 h MET 52 N 0.91 0.69 -0.84 6.66 -1.53 -1.68 0.16 114.93 119.30 2nv0 h MET 52 Ca 0.21 -0.50 -0.02 0.00 -3.44 0.00 0.00 59.70 55.95 2nv0 h MET 52 Cb 0.27 0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.36 2nv0 h MET 52 CO -0.01 1.12 0.43 -0.09 0.14 0.00 0.00 176.91 178.50 2nv0 h ARG 53 N 0.39 1.19 -0.53 0.39 2.43 -1.11 -0.93 114.38 116.22 2nv0 h ARG 53 Ca -0.01 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 2nv0 h ARG 53 Cb 1.16 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 2nv0 h ARG 53 CO 0.12 0.90 0.33 -0.09 -1.51 0.00 0.00 179.97 179.71 2nv0 h ARG 54 N 1.18 0.64 0.57 0.20 2.43 0.23 0.96 114.38 120.60 2nv0 h ARG 54 Ca 0.29 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2nv0 h ARG 54 Cb 0.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2nv0 h ARG 54 CO -0.04 0.42 -0.30 1.25 -1.51 0.00 0.00 179.97 179.79 2nv0 h LEU 55 N 0.66 -0.73 -0.12 3.80 5.85 -0.31 -1.41 115.31 123.05 2nv0 h LEU 55 Ca 0.20 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2nv0 h LEU 55 Cb -0.02 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2nv0 h LEU 55 CO -0.07 -0.50 0.05 0.40 -0.34 0.00 0.00 178.44 177.98 2nv0 h ILE 56 N -0.81 0.99 -0.04 4.05 2.04 -1.01 -2.28 117.51 120.45 2nv0 h ILE 56 Ca -0.07 -0.04 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 2nv0 h ILE 56 Cb 0.63 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2nv0 h ILE 56 CO 0.11 0.02 -0.81 0.44 0.00 0.00 0.00 178.15 177.91 2nv0 h ASP 57 N 0.12 0.43 0.71 1.72 5.19 -0.83 -0.41 116.42 123.36 2nv0 h ASP 57 Ca 0.05 -0.31 -0.26 0.00 -0.62 0.00 0.00 57.03 55.89 2nv0 h ASP 57 Cb 0.01 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 2nv0 h ASP 57 CO -0.04 1.07 -1.37 0.71 -3.12 0.00 0.00 179.24 176.49 2nv0 h THR 58 N 0.22 1.27 -0.03 0.35 1.35 -1.29 -3.30 112.91 111.49 2nv0 h THR 58 Ca -0.04 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 2nv0 h THR 58 Cb 1.40 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.47 2nv0 h THR 58 CO 0.13 0.74 -0.05 -1.22 -0.25 0.00 0.00 175.52 174.87 2nv0 n TYR 59 N -3.23 0.00 -3.29 4.73 4.01 -0.86 -5.00 117.16 113.53 2nv0 n TYR 59 Ca -0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.49 2nv0 n TYR 59 Cb 1.00 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 40.10 2nv0 n TYR 59 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2nv0 n GLN 60 N 0.94 -3.49 0.18 -0.72 6.02 -0.30 -4.77 117.38 115.25 2nv0 n GLN 60 Ca 0.14 0.86 0.12 0.00 -0.01 0.00 0.00 57.00 58.11 2nv0 n GLN 60 Cb 0.53 -5.81 0.16 0.00 1.02 0.00 0.00 30.24 26.14 2nv0 n GLN 60 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2nv0 h PHE 61 N -1.30 0.00 0.04 1.08 0.04 -1.48 -3.40 116.94 111.92 2nv0 h PHE 61 Ca -0.60 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.17 2nv0 h PHE 61 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 2nv0 h PHE 61 CO 0.34 0.00 -0.02 0.52 -0.60 0.00 0.00 178.31 178.55 2nv0 h MET 62 N 0.00 -0.05 -0.54 1.51 2.86 -1.92 0.56 114.93 117.35 2nv0 h MET 62 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2nv0 h MET 62 Cb 0.97 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2nv0 h MET 62 CO 0.00 0.11 0.28 0.93 1.06 0.00 0.00 176.91 179.29 2nv0 h GLU 63 N -0.21 0.77 -0.51 1.72 4.39 -1.98 -2.07 114.58 116.69 2nv0 h GLU 63 Ca -0.01 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2nv0 h GLU 63 Cb 0.19 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2nv0 h GLU 63 CO 0.01 0.62 0.34 -1.35 -1.16 0.00 0.00 179.01 177.47 2nv0 h PRO 64 N 0.73 0.62 -0.43 2.33 0.11 -1.73 -0.65 132.00 132.98 2nv0 h PRO 64 Ca 0.19 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 2nv0 h PRO 64 Cb 0.09 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 2nv0 h PRO 64 CO -0.03 0.41 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.88 2nv0 h LEU 65 N 0.63 0.88 -0.87 2.35 3.38 -0.63 0.28 115.31 121.33 2nv0 h LEU 65 Ca 0.20 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2nv0 h LEU 65 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2nv0 h LEU 65 CO -0.05 1.07 0.17 0.03 0.09 0.00 0.00 178.44 179.75 2nv0 h ARG 66 N 0.75 1.00 -0.35 1.13 3.08 -0.74 -2.00 114.38 117.27 2nv0 h ARG 66 Ca 0.10 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 2nv0 h ARG 66 Cb 0.76 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2nv0 h ARG 66 CO 0.06 0.88 -0.33 0.93 -1.07 0.00 0.00 179.97 180.45 2nv0 h GLU 67 N 0.96 0.77 -0.35 0.04 5.08 -0.89 -1.18 114.58 119.01 2nv0 h GLU 67 Ca 0.21 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2nv0 h GLU 67 Cb 0.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2nv0 h GLU 67 CO -0.00 0.98 0.22 0.35 -1.00 0.00 0.00 179.01 179.56 2nv0 h PHE 68 N 0.64 0.45 -0.63 4.33 3.57 -0.70 -2.32 116.94 122.28 2nv0 h PHE 68 Ca 0.07 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2nv0 h PHE 68 Cb 0.86 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 2nv0 h PHE 68 CO 0.05 0.32 0.17 0.00 -2.23 0.00 0.00 178.31 176.61 2nv0 h ALA 69 N 1.10 1.10 0.00 2.41 0.00 -1.21 -2.78 119.26 119.87 2nv0 h ALA 69 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2nv0 h ALA 69 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2nv0 h ALA 69 CO -0.02 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.72 2nv0 h ALA 70 N 1.23 1.63 0.00 0.00 0.00 -0.69 -1.60 119.26 119.83 2nv0 h ALA 70 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2nv0 h ALA 70 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2nv0 h ALA 70 CO -0.00 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.43 2nv0 n GLN 71 N -4.14 0.13 -0.29 0.00 6.02 -0.95 -4.89 117.38 113.26 2nv0 n GLN 71 Ca -0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2nv0 n GLN 71 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2nv0 n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nv0 n GLY 72 N 0.69 0.72 3.70 1.08 0.00 -0.60 -5.04 105.19 105.74 2nv0 n GLY 72 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2nv0 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nv0 s LYS 73 N -0.71 4.47 0.72 1.61 1.02 -1.19 -4.91 119.74 120.76 2nv0 s LYS 73 Ca 0.00 1.49 -0.15 0.00 0.02 0.00 0.00 55.97 57.33 2nv0 s LYS 73 Cb 0.00 -3.48 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2nv0 s LYS 73 CO 0.00 -0.21 1.19 -2.14 -0.92 0.00 0.00 175.35 173.27 2nv0 s PRO 74 N 1.49 2.21 -0.02 -1.68 0.02 -1.25 -4.59 135.00 131.17 2nv0 s PRO 74 Ca 0.52 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 2nv0 s PRO 74 Cb -0.22 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.47 2nv0 s PRO 74 CO 0.24 -1.77 0.05 -1.64 -0.33 0.00 0.00 177.00 173.56 2nv0 s MET 75 N -3.95 0.03 -0.18 5.54 -1.94 -0.71 -1.46 119.30 116.63 2nv0 s MET 75 Ca 0.73 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.84 2nv0 s MET 75 Cb -0.28 -0.06 0.04 0.00 2.01 0.00 0.00 34.83 36.54 2nv0 s MET 75 CO 0.45 -0.06 -0.08 0.12 -0.01 0.00 0.00 175.02 175.44 2nv0 s PHE 76 N 0.40 2.07 -0.27 -0.03 5.36 -0.16 -1.20 117.98 124.15 2nv0 s PHE 76 Ca -0.03 -1.33 -0.10 0.00 -0.96 0.00 0.00 56.93 54.51 2nv0 s PHE 76 Cb -0.05 -1.48 -0.04 0.00 -0.34 0.00 0.00 43.02 41.11 2nv0 s PHE 76 CO -0.01 -0.68 0.16 0.20 -1.46 0.00 0.00 175.22 173.43 2nv0 s GLY 77 N 1.51 1.89 0.09 13.12 0.00 -0.18 -0.52 107.32 123.24 2nv0 s GLY 77 Ca 0.00 -1.09 0.09 0.00 0.00 0.00 0.00 44.72 43.72 2nv0 s GLY 77 CO -0.08 0.61 -0.23 -1.08 0.00 0.00 0.00 173.10 172.31 2nv0 s THR 78 N 1.69 1.91 0.00 0.90 -1.32 -0.53 -1.77 115.64 116.52 2nv0 s THR 78 Ca 0.07 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 2nv0 s THR 78 Cb -0.16 -1.70 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 2nv0 s THR 78 CO 0.09 0.08 0.00 0.00 -2.21 0.00 0.00 174.62 172.58 2nv0 h ALA 80 N -0.47 1.00 0.00 0.00 0.00 -1.89 -2.03 119.26 115.86 2nv0 h ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nv0 h ALA 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nv0 h ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2nv0 n GLY 81 N -0.77 -1.29 0.35 0.00 0.00 0.11 -1.94 105.19 101.66 2nv0 n GLY 81 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2nv0 n GLY 81 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nv0 h LEU 82 N 0.00 1.07 -0.82 0.99 5.85 -1.41 -2.43 115.31 118.56 2nv0 h LEU 82 Ca 0.00 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2nv0 h LEU 82 Cb 0.40 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2nv0 h LEU 82 CO 0.00 0.88 0.54 0.40 -0.34 0.00 0.00 178.44 179.92 2nv0 h ILE 83 N 1.20 1.18 -0.78 4.05 2.04 -1.58 -1.74 117.51 121.88 2nv0 h ILE 83 Ca 0.30 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2nv0 h ILE 83 Cb 0.05 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 2nv0 h ILE 83 CO -0.04 0.20 0.36 0.40 0.00 0.00 0.00 178.15 179.06 2nv0 h ILE 84 N 1.09 1.25 0.00 -0.67 2.04 -1.56 -2.97 117.51 116.69 2nv0 h ILE 84 Ca 0.31 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 2nv0 h ILE 84 Cb -0.08 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2nv0 h ILE 84 CO -0.08 0.30 -0.50 0.25 0.00 0.00 0.00 178.15 178.12 2nv0 h LEU 85 N 1.11 0.00 0.00 1.44 5.85 -1.12 0.36 115.31 122.95 2nv0 h LEU 85 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2nv0 h LEU 85 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2nv0 h LEU 85 CO -0.03 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 2nv0 n ALA 86 N -2.29 0.00 -2.37 1.25 0.00 -0.69 -1.13 120.51 115.29 2nv0 n ALA 86 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2nv0 n ALA 86 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 2nv0 n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2nv0 s LYS 87 N 4.86 0.57 0.35 0.00 1.02 -1.04 -1.33 119.74 124.16 2nv0 s LYS 87 Ca 0.00 -1.06 0.09 0.00 0.02 0.00 0.00 55.97 55.02 2nv0 s LYS 87 Cb 0.00 0.09 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 2nv0 s LYS 87 CO 0.00 -0.07 -0.08 -1.21 -0.92 0.00 0.00 175.35 173.07 2nv0 s GLU 88 N -3.16 1.85 0.06 1.68 2.02 -1.26 -0.64 118.70 119.24 2nv0 s GLU 88 Ca 0.01 -1.93 0.02 0.00 0.02 0.00 0.00 54.97 53.10 2nv0 s GLU 88 Cb 0.02 -1.72 0.13 0.00 0.10 0.00 0.00 34.13 32.66 2nv0 s GLU 88 CO -0.06 0.13 0.90 0.44 0.02 0.00 0.00 175.26 176.69 2nv0 n ILE 89 N -0.81 1.12 -0.06 -1.63 -5.35 -1.26 -4.89 119.36 106.48 2nv0 n ILE 89 Ca -0.05 0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.97 2nv0 n ILE 89 Cb 0.63 -1.54 0.00 0.00 -1.74 0.00 0.00 39.64 36.99 2nv0 n ILE 89 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2nv0 n ASN 94 N -1.44 0.21 -4.58 7.28 6.94 -1.26 -5.15 115.26 117.26 2nv0 n ASN 94 Ca -0.00 -0.55 -0.42 0.00 -0.02 0.00 0.00 54.58 53.58 2nv0 n ASN 94 Cb 0.21 0.58 -0.02 0.00 -2.36 0.00 0.00 39.78 38.19 2nv0 n ASN 94 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2nv0 s PRO 95 N -0.58 3.47 -0.06 -0.53 0.02 -1.26 -4.98 135.00 131.09 2nv0 s PRO 95 Ca 0.00 0.44 -0.06 0.00 0.02 0.00 0.00 61.00 61.40 2nv0 s PRO 95 Cb 0.00 -4.04 0.01 0.00 0.02 0.00 0.00 34.50 30.49 2nv0 s PRO 95 CO 0.00 -1.72 0.16 -1.01 -0.33 0.00 0.00 177.00 174.10 2nv0 s HIS 96 N 5.33 -0.16 -0.10 6.54 0.09 -1.26 -4.45 115.29 121.28 2nv0 s HIS 96 Ca 0.49 0.39 0.14 0.00 -0.00 0.00 0.00 55.06 56.08 2nv0 s HIS 96 Cb -0.09 0.05 -0.04 0.00 -0.00 0.00 0.00 32.58 32.49 2nv0 s HIS 96 CO 0.27 -0.10 1.22 -0.07 -0.00 0.00 0.00 174.74 176.06 2nv0 h LEU 97 N 5.75 0.00 2.31 0.89 3.38 -0.39 -3.48 115.31 123.78 2nv0 h LEU 97 Ca -0.26 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 2nv0 h LEU 97 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2nv0 h LEU 97 CO 0.41 0.62 -0.48 0.61 0.09 0.00 0.00 178.44 179.69 2nv0 n GLY 98 N 1.30 -0.50 0.12 0.83 0.00 -0.44 -4.89 105.19 101.61 2nv0 n GLY 98 Ca -0.02 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2nv0 n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nv0 h LEU 99 N -0.32 0.38 -9.15 0.99 3.38 -1.36 -3.44 115.31 105.81 2nv0 h LEU 99 Ca -0.43 -0.87 -0.58 0.00 0.09 0.00 0.00 57.88 56.09 2nv0 h LEU 99 Cb 1.31 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2nv0 h LEU 99 CO 0.50 1.54 0.41 -0.22 0.09 0.00 0.00 178.44 180.75 2nv0 s LEU 100 N -7.67 4.16 -1.39 1.67 2.96 -0.51 -4.95 118.68 112.96 2nv0 s LEU 100 Ca -0.18 1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.81 2nv0 s LEU 100 Cb 0.03 -3.23 0.08 0.00 0.50 0.00 0.00 46.19 43.57 2nv0 s LEU 100 CO 0.78 -0.42 2.46 -3.20 -1.32 0.00 0.00 176.35 174.64 2nv0 n ASN 101 N 5.35 7.78 -4.30 3.68 5.15 -1.26 -4.35 115.26 127.31 2nv0 n ASN 101 Ca 0.05 -3.01 -0.18 0.00 -0.60 0.00 0.00 54.58 50.85 2nv0 n ASN 101 Cb 0.49 -1.43 -0.10 0.00 -0.53 0.00 0.00 39.78 38.21 2nv0 n ASN 101 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2nv0 s VAL 102 N -0.14 1.53 -0.12 3.44 -7.23 -1.26 -1.01 120.40 115.60 2nv0 s VAL 102 Ca 0.56 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2nv0 s VAL 102 Cb 0.17 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 2nv0 s VAL 102 CO -0.08 -0.58 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.38 2nv0 s VAL 103 N -2.83 3.67 0.05 1.32 1.01 -0.34 -2.50 120.40 120.78 2nv0 s VAL 103 Ca 0.18 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2nv0 s VAL 103 Cb -0.01 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2nv0 s VAL 103 CO 0.05 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 2nv0 s VAL 104 N -0.10 1.41 0.17 2.92 1.01 0.19 0.06 120.40 126.05 2nv0 s VAL 104 Ca 0.01 -1.13 0.09 0.00 0.00 0.00 0.00 61.98 60.95 2nv0 s VAL 104 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2nv0 s VAL 104 CO 0.03 0.09 -0.18 -1.83 0.00 0.00 0.00 175.10 173.20 2nv0 s GLU 105 N -1.21 1.29 0.65 2.72 -1.05 -0.09 -4.19 118.70 116.81 2nv0 s GLU 105 Ca 0.05 -1.42 -0.16 0.00 -0.15 0.00 0.00 54.97 53.29 2nv0 s GLU 105 Cb -0.08 -1.35 -0.01 0.00 -0.44 0.00 0.00 34.13 32.25 2nv0 s GLU 105 CO 0.02 0.27 1.14 1.03 0.95 0.00 0.00 175.26 178.67 2nv0 s ARG 106 N -2.81 2.78 0.24 -4.83 0.52 -1.26 -0.38 118.95 113.20 2nv0 s ARG 106 Ca 0.16 1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 56.60 2nv0 s ARG 106 Cb -0.06 -1.93 -0.13 0.00 0.52 0.00 0.00 34.95 33.35 2nv0 s ARG 106 CO 0.07 -1.29 1.56 -1.71 0.02 0.00 0.00 175.30 173.95 2nv0 n ASN 107 N -2.20 3.42 -0.38 0.23 2.85 -1.25 -4.68 115.26 113.24 2nv0 n ASN 107 Ca 0.11 1.12 0.05 0.00 -0.11 0.00 0.00 54.58 55.75 2nv0 n ASN 107 Cb 0.51 -1.51 0.04 0.00 1.24 0.00 0.00 39.78 40.06 2nv0 n ASN 107 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2nv0 n SER 108 N 2.74 1.79 -4.89 1.20 3.41 -1.26 -5.03 113.62 111.58 2nv0 n SER 108 Ca 0.12 -1.39 -0.29 0.00 -0.26 0.00 0.00 58.87 57.05 2nv0 n SER 108 Cb 0.33 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2nv0 n SER 108 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2nv0 s PHE 109 N -0.78 3.52 0.79 7.33 0.40 -1.26 -5.05 117.98 122.92 2nv0 s PHE 109 Ca 0.11 0.95 -0.11 0.00 -0.60 0.00 0.00 56.93 57.28 2nv0 s PHE 109 Cb 0.08 -2.39 0.06 0.00 0.51 0.00 0.00 43.02 41.28 2nv0 s PHE 109 CO 0.12 -0.22 1.09 0.20 0.70 0.00 0.00 175.22 177.10 2nv0 s GLY 110 N -3.64 1.65 0.57 4.36 0.00 -1.26 -4.76 107.32 104.24 2nv0 s GLY 110 Ca 0.50 0.05 0.34 0.00 0.00 0.00 0.00 44.72 45.61 2nv0 s GLY 110 CO 0.39 0.44 2.15 0.07 0.00 0.00 0.00 173.10 176.15 2nv0 h ARG 111 N -1.13 0.00 0.00 2.90 -0.00 -1.98 -1.02 114.38 113.16 2nv0 h ARG 111 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 2nv0 h ARG 111 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 2nv0 h ARG 111 CO 0.55 0.05 0.00 1.04 -0.00 0.00 0.00 179.97 181.61 2nv0 n GLN 112 N -3.37 0.27 0.00 0.08 6.02 -1.26 -4.05 117.38 115.07 2nv0 n GLN 112 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2nv0 n GLN 112 Cb 0.20 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.65 2nv0 n GLN 112 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2nv0 n VAL 113 N -2.27 0.15 1.79 5.09 0.24 -0.67 -4.83 118.33 117.82 2nv0 n VAL 113 Ca 0.06 -0.41 0.14 0.00 -2.04 0.00 0.00 64.34 62.08 2nv0 n VAL 113 Cb 0.43 1.18 0.70 0.00 -1.47 0.00 0.00 33.84 34.67 2nv0 n VAL 113 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2nv0 n ASP 114 N -0.08 0.56 -3.83 -1.34 5.68 -0.47 -4.77 116.55 112.30 2nv0 n ASP 114 Ca 0.00 -1.29 -0.21 0.00 -0.50 0.00 0.00 54.79 52.79 2nv0 n ASP 114 Cb 0.14 -0.01 -0.17 0.00 -1.14 0.00 0.00 41.12 39.94 2nv0 n ASP 114 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2nv0 s SER 115 N -1.86 1.13 0.28 -1.12 0.01 -1.26 -0.51 113.70 110.37 2nv0 s SER 115 Ca 0.40 -0.09 -0.21 0.00 1.31 0.00 0.00 55.95 57.36 2nv0 s SER 115 Cb 0.19 -0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.04 2nv0 s SER 115 CO 0.32 -0.12 0.72 0.72 0.41 0.00 0.00 173.24 175.29 2nv0 s PHE 116 N 1.37 -0.17 0.11 2.43 -0.71 0.51 -5.01 117.98 116.51 2nv0 s PHE 116 Ca -0.04 -0.30 0.09 0.00 -1.04 0.00 0.00 56.93 55.64 2nv0 s PHE 116 Cb -0.13 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 2nv0 s PHE 116 CO -0.02 -1.25 -0.17 -1.21 -1.34 0.00 0.00 175.22 171.22 2nv0 s GLU 117 N -3.85 1.84 -0.12 1.99 2.02 -1.26 -0.65 118.70 118.68 2nv0 s GLU 117 Ca 0.11 -1.15 -0.09 0.00 0.02 0.00 0.00 54.97 53.87 2nv0 s GLU 117 Cb -0.06 -2.14 0.04 0.00 0.10 0.00 0.00 34.13 32.07 2nv0 s GLU 117 CO 0.07 0.49 0.29 0.00 0.02 0.00 0.00 175.26 176.13 2nv0 s ALA 118 N -1.14 -0.71 -0.21 5.21 0.00 -0.48 -4.99 121.76 119.43 2nv0 s ALA 118 Ca 0.18 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 2nv0 s ALA 118 Cb -0.11 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2nv0 s ALA 118 CO 0.10 -0.17 1.02 -0.51 0.00 0.00 0.00 175.76 176.20 2nv0 s ASP 119 N 0.63 7.10 -0.04 0.00 1.01 -1.26 -0.45 116.67 123.66 2nv0 s ASP 119 Ca -0.04 1.38 0.02 0.00 0.71 0.00 0.00 52.55 54.61 2nv0 s ASP 119 Cb -0.05 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2nv0 s ASP 119 CO -0.04 -0.62 -0.07 -0.76 0.21 0.00 0.00 175.17 173.89 2nv0 s LEU 120 N 2.98 3.18 -0.28 1.23 1.43 0.51 -4.87 118.68 122.86 2nv0 s LEU 120 Ca 0.44 -0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 2nv0 s LEU 120 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2nv0 s LEU 120 CO 0.08 0.33 0.65 -0.89 0.23 0.00 0.00 176.35 176.75 2nv0 s THR 121 N -0.89 4.94 -0.16 5.49 2.01 -1.26 -0.57 115.64 125.20 2nv0 s THR 121 Ca 0.14 1.03 0.02 0.00 0.31 0.00 0.00 61.69 63.19 2nv0 s THR 121 Cb -0.11 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2nv0 s THR 121 CO 0.04 -0.08 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.05 2nv0 s ILE 122 N 2.61 2.00 0.15 1.82 1.01 -1.26 -4.42 121.20 123.12 2nv0 s ILE 122 Ca 0.27 -0.93 -0.34 0.00 0.00 0.00 0.00 60.65 59.65 2nv0 s ILE 122 Cb -0.15 -1.79 -0.15 0.00 0.01 0.00 0.00 42.46 40.37 2nv0 s ILE 122 CO 0.10 0.53 1.34 0.29 0.00 0.00 0.00 174.94 177.21 2nv0 n LYS 123 N 4.35 1.50 -0.02 2.79 5.02 0.32 -0.98 118.16 131.14 2nv0 n LYS 123 Ca -0.20 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2nv0 n LYS 123 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 2nv0 n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nv0 n GLY 124 N 2.48 1.05 3.39 0.72 0.00 -1.26 -5.00 105.19 106.58 2nv0 n GLY 124 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2nv0 n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nv0 s LEU 125 N 0.00 2.58 -0.03 0.99 1.43 -0.16 -5.05 118.68 118.44 2nv0 s LEU 125 Ca 0.00 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 2nv0 s LEU 125 Cb 0.00 -1.53 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 2nv0 s LEU 125 CO 0.00 0.26 0.73 0.44 0.23 0.00 0.00 176.35 178.02 2nv0 h ASP 126 N 5.96 -0.51 -3.06 2.29 3.32 -1.97 -3.43 116.42 119.03 2nv0 h ASP 126 Ca -0.36 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.19 2nv0 h ASP 126 Cb 1.18 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2nv0 h ASP 126 CO 0.51 -0.09 -0.15 -1.83 -1.72 0.00 0.00 179.24 175.97 2nv0 s GLU 127 N -3.60 3.56 0.67 3.56 1.03 -1.26 -5.01 118.70 117.64 2nv0 s GLU 127 Ca -0.09 -0.13 -0.17 0.00 0.03 0.00 0.00 54.97 54.60 2nv0 s GLU 127 Cb 0.01 -2.64 -0.01 0.00 -0.80 0.00 0.00 34.13 30.69 2nv0 s GLU 127 CO 0.29 0.15 1.11 -2.30 -1.33 0.00 0.00 175.26 173.18 2nv0 n PRO 128 N -1.40 0.81 -4.74 -4.83 -0.02 -1.26 -4.81 135.00 118.75 2nv0 n PRO 128 Ca -0.03 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 2nv0 n PRO 128 Cb 0.55 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 2nv0 n PRO 128 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2nv0 s PHE 129 N -1.59 2.47 -0.56 6.00 5.36 0.27 -4.86 117.98 125.06 2nv0 s PHE 129 Ca 0.78 -1.17 -0.28 0.00 -0.96 0.00 0.00 56.93 55.29 2nv0 s PHE 129 Cb -0.37 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.64 2nv0 s PHE 129 CO 0.45 -0.53 1.26 0.99 -1.46 0.00 0.00 175.22 175.93 2nv0 s THR 130 N 0.74 3.96 0.06 0.12 2.01 -1.26 -0.37 115.64 120.91 2nv0 s THR 130 Ca -0.10 0.86 -0.26 0.00 0.31 0.00 0.00 61.69 62.50 2nv0 s THR 130 Cb -0.16 -4.63 -0.06 0.00 0.01 0.00 0.00 72.50 67.67 2nv0 s THR 130 CO 0.01 -1.26 0.81 -0.83 -0.69 0.00 0.00 174.62 172.66 2nv0 s GLY 131 N 3.36 2.84 -0.37 4.40 0.00 0.40 -4.91 107.32 113.04 2nv0 s GLY 131 Ca 0.46 0.35 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 2nv0 s GLY 131 CO 0.26 1.18 0.23 0.14 0.00 0.00 0.00 173.10 174.91 2nv0 s VAL 132 N -0.05 4.81 -0.24 1.40 1.01 -1.26 -1.39 120.40 124.68 2nv0 s VAL 132 Ca 0.41 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2nv0 s VAL 132 Cb -0.21 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2nv0 s VAL 132 CO 0.25 -0.20 -0.00 -0.36 0.00 0.00 0.00 175.10 174.78 2nv0 s PHE 133 N 1.61 3.03 -0.29 5.22 0.40 0.18 -0.55 117.98 127.58 2nv0 s PHE 133 Ca 0.03 -0.94 -0.01 0.00 -0.60 0.00 0.00 56.93 55.41 2nv0 s PHE 133 Cb -0.19 -2.15 0.09 0.00 0.51 0.00 0.00 43.02 41.28 2nv0 s PHE 133 CO 0.08 -0.55 0.08 0.42 0.70 0.00 0.00 175.22 175.95 2nv0 s ILE 134 N 1.49 0.91 -1.47 0.64 1.01 -1.26 -0.36 121.20 122.15 2nv0 s ILE 134 Ca 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 2nv0 s ILE 134 Cb -0.15 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.76 2nv0 s ILE 134 CO -0.01 -0.57 0.83 0.54 0.00 0.00 0.00 174.94 175.72 2nv0 n ARG 135 N 4.85 -4.92 -1.89 2.79 1.74 0.33 -4.84 116.66 114.71 2nv0 n ARG 135 Ca -0.03 0.56 -0.40 0.00 -0.77 0.00 0.00 57.85 57.21 2nv0 n ARG 135 Cb 0.43 -5.27 -0.00 0.00 -1.02 0.00 0.00 32.46 26.60 2nv0 n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nv0 s ALA 136 N -3.47 3.43 0.76 7.54 0.00 -1.26 -4.43 121.76 124.33 2nv0 s ALA 136 Ca 0.42 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.69 2nv0 s ALA 136 Cb -0.21 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.40 2nv0 s ALA 136 CO 0.84 -0.99 1.14 -1.25 0.00 0.00 0.00 175.76 175.50 2nv0 s PRO 137 N -2.15 2.13 -0.18 0.00 0.04 -1.26 -3.79 135.00 129.78 2nv0 s PRO 137 Ca 0.55 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2nv0 s PRO 137 Cb -0.43 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2nv0 s PRO 137 CO 0.58 -1.79 -0.05 -1.58 0.04 0.00 0.00 177.00 174.20 2nv0 s HIS 138 N -2.44 2.96 -0.39 0.56 2.46 0.49 -4.83 115.29 114.09 2nv0 s HIS 138 Ca 0.67 -0.62 -0.28 0.00 0.47 0.00 0.00 55.06 55.30 2nv0 s HIS 138 Cb -0.22 -2.01 0.02 0.00 -0.13 0.00 0.00 32.58 30.24 2nv0 s HIS 138 CO 0.49 -0.29 1.07 0.42 -2.47 0.00 0.00 174.74 173.97 2nv0 s ILE 139 N 0.88 4.40 0.05 0.89 1.01 -1.26 -0.91 121.20 126.26 2nv0 s ILE 139 Ca -0.01 1.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.95 2nv0 s ILE 139 Cb -0.15 -4.48 -0.32 0.00 0.01 0.00 0.00 42.46 37.53 2nv0 s ILE 139 CO 0.01 -0.69 1.07 -0.07 0.00 0.00 0.00 174.94 175.26 2nv0 h LEU 140 N 10.52 0.83 -7.00 2.97 3.38 -0.74 -3.41 115.31 121.87 2nv0 h LEU 140 Ca -0.22 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 56.90 2nv0 h LEU 140 Cb 1.06 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 41.34 2nv0 h LEU 140 CO 1.06 1.63 0.20 -0.70 0.09 0.00 0.00 178.44 180.72 2nv0 s GLU 141 N -2.81 0.89 -0.03 1.13 2.12 -1.19 -5.00 118.70 113.81 2nv0 s GLU 141 Ca -0.09 0.64 0.06 0.00 0.36 0.00 0.00 54.97 55.94 2nv0 s GLU 141 Cb 0.05 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.86 2nv0 s GLU 141 CO 0.94 -0.19 -0.21 0.00 -0.54 0.00 0.00 175.26 175.26 2nv0 s ALA 142 N -0.33 1.74 1.05 6.30 0.00 -1.26 -1.19 121.76 128.07 2nv0 s ALA 142 Ca -0.04 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 2nv0 s ALA 142 Cb -0.03 -0.48 0.22 0.00 0.00 0.00 0.00 23.12 22.82 2nv0 s ALA 142 CO 0.04 0.39 1.09 0.20 0.00 0.00 0.00 175.76 177.48 2nv0 s GLY 143 N -0.33 1.56 0.54 0.00 0.00 -0.18 -4.93 107.32 103.98 2nv0 s GLY 143 Ca 0.04 -0.48 0.30 0.00 0.00 0.00 0.00 44.72 44.58 2nv0 s GLY 143 CO 0.00 0.20 2.07 -2.09 0.00 0.00 0.00 173.10 173.28 2nv0 h GLU 144 N -2.09 0.00 -0.09 2.90 4.81 -2.01 -2.58 114.58 115.52 2nv0 h GLU 144 Ca -0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2nv0 h GLU 144 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2nv0 h GLU 144 CO 0.53 0.10 0.00 0.27 -0.73 0.00 0.00 179.01 179.18 2nv0 n ASN 145 N -3.48 1.25 -4.57 1.04 6.94 -1.26 -4.83 115.26 110.35 2nv0 n ASN 145 Ca -0.01 -1.56 -0.37 0.00 -0.02 0.00 0.00 54.58 52.61 2nv0 n ASN 145 Cb 0.25 -0.06 -0.11 0.00 -2.36 0.00 0.00 39.78 37.50 2nv0 n ASN 145 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2nv0 s VAL 146 N -1.89 5.06 -0.14 3.53 1.01 -0.97 -4.71 120.40 122.28 2nv0 s VAL 146 Ca 0.34 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 2nv0 s VAL 146 Cb 0.18 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2nv0 s VAL 146 CO 0.28 0.30 0.96 -0.70 0.00 0.00 0.00 175.10 175.94 2nv0 s GLU 147 N 1.49 4.36 -0.34 2.72 2.12 0.91 -4.89 118.70 125.07 2nv0 s GLU 147 Ca 0.07 1.27 -0.26 0.00 0.36 0.00 0.00 54.97 56.41 2nv0 s GLU 147 Cb -0.15 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2nv0 s GLU 147 CO 0.07 -0.37 0.91 0.08 -0.54 0.00 0.00 175.26 175.41 2nv0 s VAL 148 N 2.24 4.64 -0.03 3.70 1.01 -1.26 -0.32 120.40 130.37 2nv0 s VAL 148 Ca 0.45 1.26 0.12 0.00 0.00 0.00 0.00 61.98 63.80 2nv0 s VAL 148 Cb -0.17 -4.29 -0.17 0.00 0.00 0.00 0.00 36.38 31.74 2nv0 s VAL 148 CO 0.14 -0.45 0.96 -0.07 0.00 0.00 0.00 175.10 175.68 2nv0 h LEU 149 N 9.90 0.00 -7.00 3.92 3.38 -1.30 -3.46 115.31 120.74 2nv0 h LEU 149 Ca -0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2nv0 h LEU 149 Cb 1.08 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.63 2nv0 h LEU 149 CO 0.96 0.86 0.16 -0.55 0.09 0.00 0.00 178.44 179.95 2nv0 s SER 150 N -6.24 -0.71 0.09 -0.43 0.15 -1.03 -0.52 113.70 105.00 2nv0 s SER 150 Ca -0.02 1.16 0.05 0.00 0.70 0.00 0.00 55.95 57.85 2nv0 s SER 150 Cb 0.09 1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 65.46 2nv0 s SER 150 CO 0.81 -0.39 -0.14 -1.61 1.20 0.00 0.00 173.24 173.11 2nv0 s GLU 151 N -0.24 0.89 -0.07 5.44 2.02 -1.26 -1.03 118.70 124.44 2nv0 s GLU 151 Ca -0.04 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 2nv0 s GLU 151 Cb -0.03 -0.84 0.04 0.00 0.10 0.00 0.00 34.13 33.40 2nv0 s GLU 151 CO 0.05 0.17 0.15 -1.58 0.02 0.00 0.00 175.26 174.07 2nv0 s HIS 152 N -1.62 -0.18 -1.57 1.61 2.46 0.22 -4.78 115.29 111.44 2nv0 s HIS 152 Ca 0.02 0.54 -0.12 0.00 0.47 0.00 0.00 55.06 55.97 2nv0 s HIS 152 Cb -0.08 -0.15 0.09 0.00 -0.13 0.00 0.00 32.58 32.32 2nv0 s HIS 152 CO 0.02 -0.21 0.76 -1.71 -2.47 0.00 0.00 174.74 171.13 2nv0 n ASN 153 N 4.63 -2.95 0.00 9.88 5.15 -1.26 -1.47 115.26 129.25 2nv0 n ASN 153 Ca -0.18 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 2nv0 n ASN 153 Cb 0.51 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.54 2nv0 n ASN 153 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nv0 n GLY 154 N -1.62 0.83 3.48 8.20 0.00 -1.26 -5.02 105.19 109.78 2nv0 n GLY 154 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2nv0 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nv0 s ARG 155 N -0.01 3.24 0.01 1.61 0.52 -0.54 -5.08 118.95 118.70 2nv0 s ARG 155 Ca 0.00 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 2nv0 s ARG 155 Cb 0.00 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.72 2nv0 s ARG 155 CO 0.00 0.38 1.40 0.42 0.02 0.00 0.00 175.30 177.51 2nv0 s ILE 156 N -0.04 3.69 -0.05 1.52 1.01 -1.26 -0.61 121.20 125.45 2nv0 s ILE 156 Ca -0.01 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.74 2nv0 s ILE 156 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2nv0 s ILE 156 CO 0.03 0.00 0.05 1.33 0.00 0.00 0.00 174.94 176.36 2nv0 n VAL 157 N 4.61 0.00 -3.74 2.92 0.24 -0.20 -4.34 118.33 117.81 2nv0 n VAL 157 Ca 0.13 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2nv0 n VAL 157 Cb 0.44 0.94 -0.11 0.00 -1.47 0.00 0.00 33.84 33.64 2nv0 n VAL 157 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nv0 s ALA 158 N -1.22 -0.81 -0.01 2.33 0.00 -1.10 -1.17 121.76 119.78 2nv0 s ALA 158 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 2nv0 s ALA 158 Cb 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2nv0 s ALA 158 CO 0.05 -0.18 0.25 0.00 0.00 0.00 0.00 175.76 175.87 2nv0 s ALA 159 N 0.63 -0.61 0.02 0.00 0.00 0.15 -0.79 121.76 121.16 2nv0 s ALA 159 Ca -0.04 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2nv0 s ALA 159 Cb -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2nv0 s ALA 159 CO -0.04 -0.24 -0.07 0.21 0.00 0.00 0.00 175.76 175.62 2nv0 s LYS 160 N -1.28 0.52 -0.28 0.00 2.20 0.56 -1.10 119.74 120.36 2nv0 s LYS 160 Ca -0.13 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2nv0 s LYS 160 Cb -0.06 -0.43 0.15 0.00 -1.51 0.00 0.00 37.83 35.97 2nv0 s LYS 160 CO 0.03 0.11 0.36 -1.14 -0.36 0.00 0.00 175.35 174.34 2nv0 s GLN 161 N -0.74 0.36 3.69 4.03 0.74 0.42 -0.06 119.66 128.11 2nv0 s GLN 161 Ca -0.02 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.46 2nv0 s GLN 161 Cb -0.05 -0.49 0.00 0.00 1.10 0.00 0.00 33.01 33.57 2nv0 s GLN 161 CO 0.00 -0.98 0.00 0.41 -0.55 0.00 0.00 175.29 174.18 2nv0 n GLY 162 N 5.34 1.75 0.03 2.59 0.00 -1.26 -1.10 105.19 112.54 2nv0 n GLY 162 Ca -0.01 0.46 0.13 0.00 0.00 0.00 0.00 46.02 46.60 2nv0 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nv0 n GLN 163 N 1.60 0.18 -3.73 1.61 10.64 -1.26 -4.87 117.38 121.55 2nv0 n GLN 163 Ca 0.00 -0.06 -0.36 0.00 -1.83 0.00 0.00 57.00 54.75 2nv0 n GLN 163 Cb 0.00 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 27.81 2nv0 n GLN 163 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2nv0 s PHE 164 N -2.86 3.53 0.01 2.61 0.08 -0.26 -1.75 117.98 119.35 2nv0 s PHE 164 Ca 0.17 0.54 0.05 0.00 0.12 0.00 0.00 56.93 57.81 2nv0 s PHE 164 Cb 0.19 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2nv0 s PHE 164 CO 0.57 0.50 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.85 2nv0 s LEU 165 N -0.35 2.09 0.00 -0.37 2.96 -0.34 -0.43 118.68 122.23 2nv0 s LEU 165 Ca 0.14 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2nv0 s LEU 165 Cb -0.12 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 2nv0 s LEU 165 CO 0.03 0.15 0.06 -0.83 -1.32 0.00 0.00 176.35 174.45 2nv0 s GLY 166 N -0.70 0.10 -0.01 7.98 0.00 -0.26 -1.01 107.32 113.42 2nv0 s GLY 166 Ca 0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.37 2nv0 s GLY 166 CO 0.00 -0.35 0.32 0.00 0.00 0.00 0.00 173.10 173.07 2nv0 n SER 168 N 1.24 0.76 -4.99 0.00 3.41 -0.31 -1.23 113.62 112.50 2nv0 n SER 168 Ca -0.21 -0.63 -0.19 0.00 -0.26 0.00 0.00 58.87 57.58 2nv0 n SER 168 Cb 0.56 0.67 0.05 0.00 -0.26 0.00 0.00 64.21 65.23 2nv0 n SER 168 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2nv0 s PHE 169 N -3.01 1.93 -0.69 7.33 -0.71 -1.26 -4.31 117.98 117.25 2nv0 s PHE 169 Ca 0.09 -0.54 -0.16 0.00 -1.04 0.00 0.00 56.93 55.28 2nv0 s PHE 169 Cb 0.17 -2.37 0.16 0.00 -1.21 0.00 0.00 43.02 39.76 2nv0 s PHE 169 CO 0.79 -0.98 0.68 -1.01 -1.34 0.00 0.00 175.22 173.37 2nv0 s HIS 170 N -2.63 3.42 -0.62 3.49 3.76 0.29 -3.91 115.29 119.10 2nv0 s HIS 170 Ca 0.60 -1.54 0.22 0.00 -0.15 0.00 0.00 55.06 54.19 2nv0 s HIS 170 Cb -0.07 -3.87 0.90 0.00 1.11 0.00 0.00 32.58 30.65 2nv0 s HIS 170 CO 0.38 -1.08 1.67 -0.35 -0.85 0.00 0.00 174.74 174.51 2nv0 n PRO 171 N 4.95 0.16 0.00 8.40 -0.04 -1.26 -2.85 135.00 144.36 2nv0 n PRO 171 Ca 0.01 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2nv0 n PRO 171 Cb 0.44 -1.78 0.16 0.00 -0.04 0.00 0.00 33.50 32.27 2nv0 n PRO 171 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2nv0 n GLU 172 N -2.07 0.24 -0.69 0.54 0.00 -1.26 -4.27 120.64 113.12 2nv0 n GLU 172 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 57.16 57.03 2nv0 n GLU 172 Cb 0.24 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.44 2nv0 n GLU 172 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2nv0 n LEU 173 N -1.24 4.64 -4.16 -1.84 4.77 -1.13 -4.73 117.00 113.31 2nv0 n LEU 173 Ca 0.07 -2.38 -0.10 0.00 -0.03 0.00 0.00 56.01 53.57 2nv0 n LEU 173 Cb 0.35 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 2nv0 n LEU 173 CO 0.35 0.59 -0.38 0.28 -1.33 0.00 0.00 177.39 176.90 2nv0 s THR 174 N -2.28 0.59 -2.18 -5.08 -1.32 -1.26 -5.02 115.64 99.08 2nv0 s THR 174 Ca 0.39 -1.91 0.19 0.00 -1.21 0.00 0.00 61.69 59.15 2nv0 s THR 174 Cb 0.31 -1.68 0.46 0.00 -1.51 0.00 0.00 72.50 70.07 2nv0 s THR 174 CO 0.11 -0.87 1.57 -0.62 -2.21 0.00 0.00 174.62 172.60 2nv0 n GLU 175 N -0.02 1.52 -3.25 7.08 -0.58 -1.26 -4.73 120.64 119.40 2nv0 n GLU 175 Ca -0.12 -0.79 -0.43 0.00 -0.42 0.00 0.00 57.16 55.40 2nv0 n GLU 175 Cb 0.61 -1.35 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 2nv0 n GLU 175 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2nv0 s ASP 176 N -1.54 6.23 -0.08 1.62 -1.08 -1.26 -4.92 116.67 115.65 2nv0 s ASP 176 Ca 0.30 -0.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.86 2nv0 s ASP 176 Cb 0.16 -2.25 0.55 0.00 -1.46 0.00 0.00 42.92 39.91 2nv0 s ASP 176 CO 0.24 -0.66 1.42 1.41 0.52 0.00 0.00 175.17 178.10 2nv0 n HIS 177 N 5.82 1.09 -0.01 -5.34 8.25 -1.26 -4.54 115.22 119.23 2nv0 n HIS 177 Ca -0.06 -0.45 -0.01 0.00 -0.26 0.00 0.00 57.72 56.95 2nv0 n HIS 177 Cb 0.47 -0.17 0.26 0.00 1.12 0.00 0.00 29.99 31.67 2nv0 n HIS 177 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nv0 h ARG 178 N 3.15 0.53 -0.19 -0.41 3.08 -1.92 0.15 114.38 118.78 2nv0 h ARG 178 Ca 0.00 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 2nv0 h ARG 178 Cb 1.11 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2nv0 h ARG 178 CO 0.16 0.61 -0.32 0.28 -1.07 0.00 0.00 179.97 179.62 2nv0 h VAL 179 N 0.50 1.34 -0.94 2.04 2.07 -1.91 -1.67 116.25 117.69 2nv0 h VAL 179 Ca 0.10 -1.55 0.11 0.00 0.82 0.00 0.00 66.70 66.18 2nv0 h VAL 179 Cb 0.42 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2nv0 h VAL 179 CO 0.02 0.47 0.60 0.74 0.02 0.00 0.00 177.57 179.43 2nv0 h THR 180 N 0.21 0.93 -0.76 2.57 2.02 -1.77 -2.37 112.91 113.74 2nv0 h THR 180 Ca 0.01 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 2nv0 h THR 180 Cb 0.91 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2nv0 h THR 180 CO 0.07 0.17 0.27 -0.61 0.37 0.00 0.00 175.52 175.79 2nv0 h GLN 181 N 0.90 1.16 -0.95 6.66 5.75 -0.44 0.96 115.11 129.15 2nv0 h GLN 181 Ca 0.45 -0.23 0.09 0.00 -0.15 0.00 0.00 58.65 58.81 2nv0 h GLN 181 Cb 0.48 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 28.79 2nv0 h GLN 181 CO -0.21 0.96 0.61 -0.07 -2.65 0.00 0.00 178.83 177.47 2nv0 h LEU 182 N 1.12 0.91 -0.17 -2.39 3.38 -0.79 0.67 115.31 118.04 2nv0 h LEU 182 Ca 0.25 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2nv0 h LEU 182 Cb 0.26 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2nv0 h LEU 182 CO -0.01 0.55 -0.22 0.15 0.09 0.00 0.00 178.44 178.99 2nv0 h PHE 183 N 1.01 0.56 -0.94 1.13 3.57 -0.96 -2.34 116.94 118.98 2nv0 h PHE 183 Ca 0.44 -0.18 0.14 0.00 3.53 0.00 0.00 57.97 61.90 2nv0 h PHE 183 Cb 0.34 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 2nv0 h PHE 183 CO -0.00 0.86 0.55 0.28 -2.23 0.00 0.00 178.31 177.77 2nv0 h VAL 184 N 0.10 0.82 -0.30 1.41 2.07 -0.02 -1.05 116.25 119.28 2nv0 h VAL 184 Ca 0.02 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2nv0 h VAL 184 Cb 0.79 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2nv0 h VAL 184 CO 0.05 0.15 -0.08 -0.33 0.02 0.00 0.00 177.57 177.38 2nv0 h GLU 185 N 0.82 0.50 -0.61 1.57 5.08 -0.73 -0.09 114.58 121.11 2nv0 h GLU 185 Ca 0.49 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2nv0 h GLU 185 Cb 0.61 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2nv0 h GLU 185 CO -0.32 0.58 0.17 0.52 -1.00 0.00 0.00 179.01 178.96 2nv0 h MET 186 N 0.47 0.97 -0.57 2.33 2.86 -0.68 -0.40 114.93 119.91 2nv0 h MET 186 Ca 0.09 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2nv0 h MET 186 Cb 0.43 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2nv0 h MET 186 CO 0.02 0.88 0.04 0.28 1.06 0.00 0.00 176.91 179.19 2nv0 h VAL 187 N 0.89 1.26 0.03 -2.22 2.07 -0.65 -0.89 116.25 116.74 2nv0 h VAL 187 Ca 0.19 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2nv0 h VAL 187 Cb 0.33 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2nv0 h VAL 187 CO -0.00 0.39 -0.09 -0.08 0.02 0.00 0.00 177.57 177.80 2nv0 h GLU 188 N 0.86 -0.17 -0.85 1.57 4.57 -0.87 0.17 114.58 119.86 2nv0 h GLU 188 Ca 0.17 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 2nv0 h GLU 188 Cb 0.49 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.07 2nv0 h GLU 188 CO 0.02 -0.11 0.54 1.49 -1.18 0.00 0.00 179.01 179.77 2nv0 h GLU 189 N -0.18 1.02 -0.14 1.92 4.81 -0.98 -0.45 114.58 120.60 2nv0 h GLU 189 Ca 0.03 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2nv0 h GLU 189 Cb 0.20 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2nv0 h GLU 189 CO -0.07 0.68 0.07 -0.92 -0.73 0.00 0.00 179.01 178.03 2nv0 h TYR 190 N 1.05 0.19 -0.67 0.92 3.20 -0.77 -1.08 116.97 119.82 2nv0 h TYR 190 Ca 0.34 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2nv0 h TYR 190 Cb 0.02 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2nv0 h TYR 190 CO -0.02 0.22 0.30 0.87 -1.64 0.00 0.00 178.16 177.89 2nv0 h LYS 191 N 0.10 0.97 -0.30 1.82 1.79 -0.26 -0.52 116.57 120.17 2nv0 h LYS 191 Ca 0.05 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2nv0 h LYS 191 Cb 0.10 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2nv0 h LYS 191 CO -0.01 0.76 0.03 1.96 -1.08 0.00 0.00 179.45 181.11 2nv0 h GLN 192 N 0.96 0.52 0.00 3.15 1.08 -0.95 -2.97 115.11 116.90 2nv0 h GLN 192 Ca 0.23 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2nv0 h GLN 192 Cb 0.13 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2nv0 h GLN 192 CO -0.03 0.64 -0.18 1.57 -0.95 0.00 0.00 178.83 179.88 2nv0 h LYS 193 N 0.33 0.00 0.00 1.46 5.09 -0.78 -3.51 116.57 119.15 2nv0 h LYS 193 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.83 2nv0 h LYS 193 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 2nv0 h LYS 193 CO 0.01 0.18 0.00 0.00 -2.09 0.00 0.00 179.45 177.55