#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e4h n PRO 11 N 0.00 1.23 -3.73 0.00 -0.04 -1.26 -4.78 135.00 126.42 1e4h n PRO 11 Ca 0.00 -0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 62.92 1e4h n PRO 11 Cb 0.00 -1.42 -0.18 0.00 -0.04 0.00 0.00 33.50 31.87 1e4h n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1e4h s LEU 12 N -1.81 0.44 0.04 1.53 2.96 -1.26 -1.07 118.68 119.50 1e4h s LEU 12 Ca 0.38 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1e4h s LEU 12 Cb 0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.63 1e4h s LEU 12 CO 0.30 -0.21 -0.07 0.00 -1.32 0.00 0.00 176.35 175.05 1e4h s MET 13 N 1.91 0.51 -0.03 1.98 0.23 -0.25 -4.26 119.30 119.40 1e4h s MET 13 Ca 0.02 -0.77 0.07 0.00 -1.03 0.00 0.00 55.69 53.98 1e4h s MET 13 Cb -0.12 -0.22 -0.02 0.00 -1.53 0.00 0.00 34.83 32.94 1e4h s MET 13 CO -0.03 0.03 -0.24 0.08 -2.03 0.00 0.00 175.02 172.83 1e4h s VAL 14 N -1.53 1.90 -0.04 5.16 1.01 -0.14 -0.97 120.40 125.78 1e4h s VAL 14 Ca -0.10 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.89 1e4h s VAL 14 Cb -0.09 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1e4h s VAL 14 CO -0.00 0.53 -0.07 -0.75 0.00 0.00 0.00 175.10 174.81 1e4h s LYS 15 N -0.43 0.98 -0.05 2.72 2.20 -0.36 -0.44 119.74 124.36 1e4h s LYS 15 Ca 0.05 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 1e4h s LYS 15 Cb -0.10 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 1e4h s LYS 15 CO 0.00 -0.01 -0.15 0.08 -0.36 0.00 0.00 175.35 174.92 1e4h s VAL 16 N 0.64 1.31 0.14 4.02 1.01 0.45 -1.05 120.40 126.92 1e4h s VAL 16 Ca -0.10 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1e4h s VAL 16 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1e4h s VAL 16 CO 0.01 0.38 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 1e4h s LEU 17 N 0.22 2.35 -0.33 3.92 1.43 -0.23 -0.69 118.68 125.35 1e4h s LEU 17 Ca -0.07 -0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 52.17 1e4h s LEU 17 Cb -0.12 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.05 1e4h s LEU 17 CO 0.03 0.10 0.16 -0.62 0.23 0.00 0.00 176.35 176.25 1e4h s ASP 18 N -2.20 5.55 0.12 2.29 -1.08 0.47 -0.69 116.67 121.12 1e4h s ASP 18 Ca 0.13 -0.72 0.26 0.00 -0.52 0.00 0.00 52.55 51.71 1e4h s ASP 18 Cb -0.09 -1.99 0.98 0.00 -1.46 0.00 0.00 42.92 40.36 1e4h s ASP 18 CO 0.06 -0.26 1.81 0.00 0.52 0.00 0.00 175.17 177.30 1e4h n ALA 19 N 4.97 2.21 -0.01 3.66 0.00 0.52 -0.81 120.51 131.04 1e4h n ALA 19 Ca -0.13 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1e4h n ALA 19 Cb 0.48 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1e4h n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1e4h h VAL 20 N 0.00 1.19 0.00 0.00 2.07 -1.94 -3.38 116.25 114.19 1e4h h VAL 20 Ca 0.00 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.07 1e4h h VAL 20 Cb 0.58 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1e4h h VAL 20 CO 0.00 0.64 -1.15 0.03 0.02 0.00 0.00 177.57 177.10 1e4h h ARG 21 N -0.51 0.00 -3.83 1.57 3.08 -1.94 -3.49 114.38 109.26 1e4h h ARG 21 Ca -0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 1e4h h ARG 21 Cb 1.57 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.70 1e4h h ARG 21 CO 0.03 0.12 -0.35 0.41 -1.07 0.00 0.00 179.97 179.10 1e4h n GLY 22 N 1.26 0.06 3.84 0.04 0.00 0.01 -5.05 105.19 105.34 1e4h n GLY 22 Ca -0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1e4h n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e4h s SER 23 N -3.35 -0.17 0.57 1.61 1.04 -1.05 -5.01 113.70 107.34 1e4h s SER 23 Ca 0.11 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 55.58 1e4h s SER 23 Cb -0.01 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1e4h s SER 23 CO 0.31 -1.44 1.15 -2.16 0.98 0.00 0.00 173.24 172.08 1e4h s PRO 24 N -3.46 3.18 -0.52 4.02 0.04 -1.26 -0.39 135.00 136.60 1e4h s PRO 24 Ca 0.13 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.62 1e4h s PRO 24 Cb -0.06 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1e4h s PRO 24 CO 0.08 -1.00 0.71 0.00 0.04 0.00 0.00 177.00 176.83 1e4h s ALA 25 N -1.78 3.33 0.10 8.56 0.00 0.13 -4.55 121.76 127.55 1e4h s ALA 25 Ca 0.74 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1e4h s ALA 25 Cb -0.25 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 1e4h s ALA 25 CO 0.30 -2.12 0.60 0.42 0.00 0.00 0.00 175.76 174.96 1e4h s ILE 26 N 2.96 4.71 -1.34 0.00 1.01 -1.26 -4.32 121.20 122.97 1e4h s ILE 26 Ca 0.19 1.21 -0.03 0.00 0.00 0.00 0.00 60.65 62.01 1e4h s ILE 26 Cb -0.18 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1e4h s ILE 26 CO 0.13 0.48 0.39 -3.20 0.00 0.00 0.00 174.94 172.75 1e4h n ASN 27 N 1.50 -5.30 -4.72 3.58 4.05 -0.25 -4.94 115.26 109.18 1e4h n ASN 27 Ca -0.09 -0.19 -0.39 0.00 0.45 0.00 0.00 54.58 54.36 1e4h n ASN 27 Cb 0.51 -4.20 -0.05 0.00 1.23 0.00 0.00 39.78 37.27 1e4h n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1e4h s VAL 28 N -3.03 5.07 0.15 3.44 1.01 -1.26 -4.73 120.40 121.07 1e4h s VAL 28 Ca 0.20 1.35 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1e4h s VAL 28 Cb -0.09 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1e4h s VAL 28 CO 0.24 0.27 1.16 0.00 0.00 0.00 0.00 175.10 176.77 1e4h s ALA 29 N 0.75 3.40 -0.07 5.51 0.00 -1.26 -1.75 121.76 128.34 1e4h s ALA 29 Ca 0.35 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1e4h s ALA 29 Cb -0.17 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1e4h s ALA 29 CO 0.17 -0.32 -0.09 0.08 0.00 0.00 0.00 175.76 175.60 1e4h s VAL 30 N 0.11 0.92 -0.06 0.00 1.01 -0.38 -0.96 120.40 121.04 1e4h s VAL 30 Ca 0.53 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1e4h s VAL 30 Cb -0.31 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1e4h s VAL 30 CO 0.34 0.32 -0.24 -1.00 0.00 0.00 0.00 175.10 174.53 1e4h s HIS 31 N 1.01 2.34 -0.07 5.22 3.76 -0.12 -1.60 115.29 125.83 1e4h s HIS 31 Ca -0.09 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.11 1e4h s HIS 31 Cb -0.15 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 1e4h s HIS 31 CO -0.00 -0.24 -0.09 0.08 -0.85 0.00 0.00 174.74 173.64 1e4h s VAL 32 N -0.07 3.48 0.08 -0.90 1.01 0.15 -0.27 120.40 123.88 1e4h s VAL 32 Ca -0.06 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1e4h s VAL 32 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1e4h s VAL 32 CO 0.04 0.59 -0.14 -0.36 0.00 0.00 0.00 175.10 175.23 1e4h s PHE 33 N -0.69 1.23 -0.05 5.22 0.40 0.40 -0.65 117.98 123.84 1e4h s PHE 33 Ca 0.10 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 1e4h s PHE 33 Cb -0.11 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 1e4h s PHE 33 CO 0.01 0.07 -0.22 0.50 0.70 0.00 0.00 175.22 176.28 1e4h s ARG 34 N -2.04 2.26 0.01 0.44 3.52 -0.27 -0.87 118.95 122.00 1e4h s ARG 34 Ca 0.01 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 1e4h s ARG 34 Cb -0.08 -1.93 -0.05 0.00 -1.56 0.00 0.00 34.95 31.33 1e4h s ARG 34 CO 0.02 0.33 1.23 0.21 -0.81 0.00 0.00 175.30 176.28 1e4h s LYS 35 N -0.09 4.38 0.60 5.12 2.20 -0.14 -1.42 119.74 130.39 1e4h s LYS 35 Ca -0.04 1.76 0.03 0.00 -0.36 0.00 0.00 55.97 57.36 1e4h s LYS 35 Cb -0.13 -3.46 0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1e4h s LYS 35 CO 0.03 -0.37 0.83 0.00 -0.36 0.00 0.00 175.35 175.48 1e4h s ALA 36 N 1.69 4.03 0.49 3.13 0.00 -0.25 -4.74 121.76 126.11 1e4h s ALA 36 Ca 0.58 -1.65 0.18 0.00 0.00 0.00 0.00 51.96 51.08 1e4h s ALA 36 Cb -0.28 -1.90 1.20 0.00 0.00 0.00 0.00 23.12 22.15 1e4h s ALA 36 CO 0.26 -0.97 2.03 0.00 0.00 0.00 0.00 175.76 177.07 1e4h h ALA 37 N -0.07 2.17 0.00 0.00 0.00 -1.96 0.26 119.26 119.67 1e4h h ALA 37 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1e4h h ALA 37 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1e4h h ALA 37 CO 0.45 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 1e4h n ASP 38 N -4.45 0.00 -0.26 0.00 3.85 -1.26 -4.84 116.55 109.59 1e4h n ASP 38 Ca 0.07 -1.42 -0.03 0.00 -0.71 0.00 0.00 54.79 52.69 1e4h n ASP 38 Cb 0.38 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.14 1e4h n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1e4h n ASP 39 N -0.69 -4.99 -4.95 -1.12 -0.08 0.92 -4.99 116.55 100.65 1e4h n ASP 39 Ca 0.08 0.08 -0.23 0.00 -1.51 0.00 0.00 54.79 53.21 1e4h n ASP 39 Cb 0.04 -2.79 -0.01 0.00 2.34 0.00 0.00 41.12 40.70 1e4h n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1e4h s THR 40 N -1.60 4.89 -0.21 5.18 -4.23 -1.25 -4.79 115.64 113.63 1e4h s THR 40 Ca 0.00 -0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 59.74 1e4h s THR 40 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1e4h s THR 40 CO 0.00 -0.46 0.52 0.26 -0.54 0.00 0.00 174.62 174.40 1e4h s TRP 41 N -2.29 3.36 -0.12 3.99 0.52 -1.26 -1.09 118.94 122.05 1e4h s TRP 41 Ca 0.41 0.76 -0.01 0.00 0.02 0.00 0.00 56.10 57.28 1e4h s TRP 41 Cb -0.10 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1e4h s TRP 41 CO 0.35 -0.12 -0.09 -1.83 0.02 0.00 0.00 176.95 175.27 1e4h s GLU 42 N 1.71 3.32 0.17 4.98 -1.05 -0.51 -4.92 118.70 122.41 1e4h s GLU 42 Ca 0.24 -0.61 -0.33 0.00 -0.15 0.00 0.00 54.97 54.11 1e4h s GLU 42 Cb -0.15 -2.69 -0.15 0.00 -0.44 0.00 0.00 34.13 30.69 1e4h s GLU 42 CO 0.09 0.32 1.29 -2.30 0.95 0.00 0.00 175.26 175.61 1e4h n PRO 43 N 3.25 1.46 -0.00 -4.83 -0.02 -1.26 -1.11 135.00 132.49 1e4h n PRO 43 Ca -0.18 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1e4h n PRO 43 Cb 0.53 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1e4h n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1e4h n PHE 44 N 1.96 0.00 -3.61 6.00 7.35 0.18 -4.78 117.46 124.56 1e4h n PHE 44 Ca 0.15 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.74 1e4h n PHE 44 Cb 0.26 -0.10 -0.02 0.00 0.35 0.00 0.00 39.48 39.97 1e4h n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1e4h s ALA 45 N -2.07 -1.38 0.17 3.13 0.00 -1.10 -5.00 121.76 115.51 1e4h s ALA 45 Ca -0.04 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 1e4h s ALA 45 Cb 0.01 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.06 1e4h s ALA 45 CO 0.05 -0.87 0.94 -1.54 0.00 0.00 0.00 175.76 174.35 1e4h s SER 46 N -2.82 -0.17 0.00 0.00 1.04 -1.26 0.30 113.70 110.77 1e4h s SER 46 Ca 0.05 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1e4h s SER 46 Cb -0.03 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1e4h s SER 46 CO -0.05 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1e4h n GLY 47 N -0.48 -1.37 3.17 7.32 0.00 -0.63 -4.98 105.19 108.22 1e4h n GLY 47 Ca -0.06 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1e4h n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e4h s LYS 48 N -0.99 1.26 0.49 1.61 1.02 -1.26 -1.25 119.74 120.62 1e4h s LYS 48 Ca 0.00 -0.71 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 1e4h s LYS 48 Cb 0.00 -1.26 -0.07 0.00 -0.52 0.00 0.00 37.83 35.98 1e4h s LYS 48 CO 0.00 0.33 1.34 0.95 -0.92 0.00 0.00 175.35 177.06 1e4h s THR 49 N -0.59 2.29 0.13 2.17 -4.23 -0.72 -4.77 115.64 109.92 1e4h s THR 49 Ca 0.06 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1e4h s THR 49 Cb -0.07 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1e4h s THR 49 CO 0.00 0.01 0.17 -1.54 -0.54 0.00 0.00 174.62 172.73 1e4h n SER 50 N -0.58 0.02 0.31 3.99 3.41 0.07 -1.09 113.62 119.75 1e4h n SER 50 Ca 0.08 -1.07 0.20 0.00 -0.26 0.00 0.00 58.87 57.82 1e4h n SER 50 Cb 0.44 -0.13 0.97 0.00 -0.26 0.00 0.00 64.21 65.23 1e4h n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1e4h h GLU 51 N 0.00 0.00 -0.41 4.33 5.08 -1.94 -0.02 114.58 121.62 1e4h h GLU 51 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1e4h h GLU 51 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1e4h h GLU 51 CO 0.04 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 176.93 1e4h n SER 52 N -3.11 2.76 -0.71 1.42 3.41 -1.26 -4.79 113.62 111.34 1e4h n SER 52 Ca -0.01 -1.93 -0.09 0.00 -0.26 0.00 0.00 58.87 56.57 1e4h n SER 52 Cb 0.18 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1e4h n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e4h n GLY 53 N 1.35 1.08 3.58 5.00 0.00 -0.02 -4.80 105.19 111.38 1e4h n GLY 53 Ca 0.18 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1e4h n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1e4h s GLU 54 N -2.70 2.13 -0.17 1.61 2.02 -1.26 -0.41 118.70 119.91 1e4h s GLU 54 Ca 0.00 -1.02 -0.02 0.00 0.02 0.00 0.00 54.97 53.95 1e4h s GLU 54 Cb 0.00 -2.31 0.05 0.00 0.10 0.00 0.00 34.13 31.97 1e4h s GLU 54 CO 0.00 0.51 0.00 -1.17 0.02 0.00 0.00 175.26 174.62 1e4h s LEU 55 N -2.22 1.31 0.44 1.80 2.96 0.41 -0.75 118.68 122.63 1e4h s LEU 55 Ca 0.21 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1e4h s LEU 55 Cb -0.11 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.83 1e4h s LEU 55 CO 0.14 -0.25 0.02 -1.00 -1.32 0.00 0.00 176.35 173.93 1e4h s HIS 56 N 1.78 2.31 -0.87 5.38 3.76 -1.26 -0.97 115.29 125.43 1e4h s HIS 56 Ca -0.00 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1e4h s HIS 56 Cb -0.16 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.80 1e4h s HIS 56 CO -0.07 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 1e4h n GLY 57 N -1.08 0.29 0.17 -2.22 0.00 -1.26 -4.92 105.19 96.17 1e4h n GLY 57 Ca -0.09 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1e4h n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1e4h h LEU 58 N 0.00 0.36 0.00 0.99 3.38 -1.88 -3.48 115.31 114.68 1e4h h LEU 58 Ca -0.22 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 1e4h h LEU 58 Cb 1.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1e4h h LEU 58 CO 0.27 0.93 0.05 1.07 0.09 0.00 0.00 178.44 180.85 1e4h n THR 59 N -3.84 0.00 -4.42 0.22 5.66 -1.26 -4.74 114.28 105.90 1e4h n THR 59 Ca -0.03 -1.00 -0.21 0.00 -3.05 0.00 0.00 64.05 59.76 1e4h n THR 59 Cb 0.67 0.75 -0.10 0.00 -1.55 0.00 0.00 70.33 70.09 1e4h n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1e4h s THR 60 N -2.54 1.53 0.37 1.09 -4.23 -1.26 -4.33 115.64 106.27 1e4h s THR 60 Ca 0.16 -2.10 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1e4h s THR 60 Cb -0.02 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.56 1e4h s THR 60 CO 0.12 -0.27 1.97 -0.33 -0.54 0.00 0.00 174.62 175.56 1e4h h GLU 61 N 2.28 0.58 -0.61 3.99 5.08 -1.96 -0.02 114.58 123.93 1e4h h GLU 61 Ca -0.40 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1e4h h GLU 61 Cb 1.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1e4h h GLU 61 CO 0.67 0.48 0.02 0.93 -1.00 0.00 0.00 179.01 180.11 1e4h h GLU 62 N 0.58 1.05 0.01 2.33 4.39 -2.04 -3.22 114.58 117.69 1e4h h GLU 62 Ca 0.14 -0.32 -0.24 0.00 0.34 0.00 0.00 59.36 59.28 1e4h h GLU 62 Cb 0.11 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1e4h h GLU 62 CO -0.02 1.02 -1.22 1.05 -1.16 0.00 0.00 179.01 178.68 1e4h h GLU 63 N 0.97 0.02 -3.95 2.33 9.09 -1.88 -3.40 114.58 117.76 1e4h h GLU 63 Ca 0.18 -0.04 -0.71 0.00 0.05 0.00 0.00 59.36 58.83 1e4h h GLU 63 Cb 0.53 0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.60 1e4h h GLU 63 CO 0.03 0.88 3.06 0.34 0.05 0.00 0.00 179.01 183.37 1e4h n PHE 64 N -3.28 3.48 -2.01 2.06 7.35 -0.06 -4.96 117.46 120.05 1e4h n PHE 64 Ca -0.06 -2.97 -0.28 0.00 -0.76 0.00 0.00 57.45 53.39 1e4h n PHE 64 Cb 0.98 -2.51 0.10 0.00 0.35 0.00 0.00 39.48 38.39 1e4h n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1e4h s VAL 65 N 2.98 2.08 0.64 -2.13 -7.23 -1.26 -4.93 120.40 110.55 1e4h s VAL 65 Ca 0.47 -0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.37 1e4h s VAL 65 Cb 0.14 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1e4h s VAL 65 CO -0.08 0.00 1.24 -1.61 -0.31 0.00 0.00 175.10 174.34 1e4h s GLU 66 N -5.51 2.65 0.00 4.82 2.02 -1.26 -4.86 118.70 116.56 1e4h s GLU 66 Ca 0.63 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1e4h s GLU 66 Cb -0.10 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1e4h s GLU 66 CO 0.48 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.69 1e4h n GLY 67 N 0.64 -1.39 3.71 -1.39 0.00 -1.18 -4.96 105.19 100.62 1e4h n GLY 67 Ca 0.14 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 1e4h n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1e4h s ILE 68 N -1.78 5.33 0.16 -0.61 1.01 -1.26 -0.95 121.20 123.10 1e4h s ILE 68 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 60.65 61.17 1e4h s ILE 68 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1e4h s ILE 68 CO 0.00 0.38 -0.22 -0.31 0.00 0.00 0.00 174.94 174.79 1e4h s TYR 69 N 0.64 2.06 -0.08 3.97 1.51 0.26 -0.97 117.35 124.74 1e4h s TYR 69 Ca 0.13 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1e4h s TYR 69 Cb -0.13 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 1e4h s TYR 69 CO 0.03 0.38 -0.09 0.21 -1.11 0.00 0.00 175.55 174.97 1e4h s LYS 70 N -2.54 1.53 -0.26 -0.62 2.20 -0.05 -1.21 119.74 118.79 1e4h s LYS 70 Ca 0.16 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.41 1e4h s LYS 70 Cb -0.08 -1.42 -0.00 0.00 -1.51 0.00 0.00 37.83 34.82 1e4h s LYS 70 CO 0.08 -0.11 0.03 0.08 -0.36 0.00 0.00 175.35 175.06 1e4h s VAL 71 N 1.14 3.75 -0.21 4.02 1.01 0.62 -0.46 120.40 130.27 1e4h s VAL 71 Ca -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1e4h s VAL 71 Cb -0.14 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1e4h s VAL 71 CO -0.02 0.23 0.02 -0.70 0.00 0.00 0.00 175.10 174.64 1e4h s GLU 72 N 1.50 3.64 -0.24 2.72 2.12 0.63 0.25 118.70 129.31 1e4h s GLU 72 Ca 0.04 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 54.82 1e4h s GLU 72 Cb -0.16 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 1e4h s GLU 72 CO 0.00 -0.04 0.00 0.42 -0.54 0.00 0.00 175.26 175.11 1e4h s ILE 73 N 1.15 3.66 -1.21 -3.70 1.01 0.18 -0.95 121.20 121.34 1e4h s ILE 73 Ca 0.03 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 1e4h s ILE 73 Cb -0.14 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1e4h s ILE 73 CO 0.02 0.34 1.90 -0.67 0.00 0.00 0.00 174.94 176.53 1e4h n ASP 74 N 4.83 3.83 0.12 3.58 -0.08 -0.14 -1.34 116.55 127.35 1e4h n ASP 74 Ca -0.17 -2.80 -0.02 0.00 -1.51 0.00 0.00 54.79 50.29 1e4h n ASP 74 Cb 0.50 -1.65 0.16 0.00 2.34 0.00 0.00 41.12 42.47 1e4h n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1e4h h THR 75 N 5.43 1.42 -0.07 5.18 1.35 -1.87 -3.17 112.91 121.18 1e4h h THR 75 Ca 0.38 -2.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1e4h h THR 75 Cb 0.84 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1e4h h THR 75 CO 1.50 0.59 0.03 0.50 -0.25 0.00 0.00 175.52 177.89 1e4h h LYS 76 N 0.06 0.10 -0.36 4.72 3.64 -1.71 -1.81 116.57 121.21 1e4h h LYS 76 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1e4h h LYS 76 Cb 1.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1e4h h LYS 76 CO 0.08 0.20 0.16 0.77 -2.27 0.00 0.00 179.45 178.39 1e4h h SER 77 N -0.02 0.44 0.20 4.20 0.02 -1.85 -0.55 113.55 116.00 1e4h h SER 77 Ca 0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1e4h h SER 77 Cb 0.13 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1e4h h SER 77 CO -0.00 0.39 -0.10 0.22 -1.14 0.00 0.00 176.83 176.20 1e4h h TYR 78 N 0.50 -0.26 -0.34 3.45 3.20 -1.44 -1.52 116.97 120.57 1e4h h TYR 78 Ca 0.13 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1e4h h TYR 78 Cb 0.08 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1e4h h TYR 78 CO 0.00 -0.02 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.85 1e4h h TRP 79 N -0.47 0.68 -0.82 -3.82 4.06 -1.12 -2.76 115.95 111.70 1e4h h TRP 79 Ca -0.03 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 1e4h h TRP 79 Cb 0.35 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.30 1e4h h TRP 79 CO -0.01 0.74 0.48 0.87 -3.56 0.00 0.00 178.44 176.97 1e4h h LYS 80 N 0.55 1.13 0.00 0.49 1.57 -1.01 -0.87 116.57 118.43 1e4h h LYS 80 Ca 0.09 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1e4h h LYS 80 Cb 0.60 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1e4h h LYS 80 CO 0.04 0.81 -0.14 0.00 -0.57 0.00 0.00 179.45 179.59 1e4h h ALA 81 N 1.26 1.51 -0.01 3.86 0.00 -0.99 -1.25 119.26 123.64 1e4h h ALA 81 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1e4h h ALA 81 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1e4h h ALA 81 CO -0.05 0.18 -0.20 1.28 0.00 0.00 0.00 179.25 180.46 1e4h n LEU 82 N -4.01 1.15 -0.65 0.00 4.77 -0.43 -4.94 117.00 112.89 1e4h n LEU 82 Ca -0.02 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 1e4h n LEU 82 Cb 0.23 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1e4h n LEU 82 CO 0.33 0.21 -0.07 0.61 -1.33 0.00 0.00 177.39 177.14 1e4h n GLY 83 N 1.30 0.16 3.16 -0.72 0.00 -0.47 -5.03 105.19 103.59 1e4h n GLY 83 Ca 0.14 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1e4h n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1e4h s ILE 84 N -2.28 2.04 -0.03 -0.61 1.01 -0.69 -5.03 121.20 115.60 1e4h s ILE 84 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1e4h s ILE 84 Cb 0.00 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.60 1e4h s ILE 84 CO 0.00 0.54 1.68 -0.55 0.00 0.00 0.00 174.94 176.61 1e4h s SER 85 N 0.88 6.64 0.30 3.58 0.15 -1.26 -4.03 113.70 119.96 1e4h s SER 85 Ca -0.05 2.30 0.06 0.00 0.70 0.00 0.00 55.95 58.96 1e4h s SER 85 Cb -0.15 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1e4h s SER 85 CO -0.03 -0.93 0.41 -2.16 1.20 0.00 0.00 173.24 171.73 1e4h s PRO 86 N 3.89 3.22 -0.23 5.44 0.04 -1.26 -4.81 135.00 141.28 1e4h s PRO 86 Ca 0.75 -0.93 -0.17 0.00 0.04 0.00 0.00 61.00 60.69 1e4h s PRO 86 Cb -0.35 -2.82 -0.14 0.00 0.04 0.00 0.00 34.50 31.23 1e4h s PRO 86 CO 0.31 0.21 -0.10 0.34 0.04 0.00 0.00 177.00 177.80 1e4h n PHE 87 N -1.53 0.50 -2.65 0.56 7.35 -0.24 -4.99 117.46 116.45 1e4h n PHE 87 Ca -0.04 0.22 -0.33 0.00 -0.76 0.00 0.00 57.45 56.54 1e4h n PHE 87 Cb 0.58 -0.98 -0.05 0.00 0.35 0.00 0.00 39.48 39.37 1e4h n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1e4h s HIS 88 N -2.46 3.31 0.13 -5.13 3.76 -1.26 -4.97 115.29 108.67 1e4h s HIS 88 Ca -0.32 1.56 -0.03 0.00 -0.15 0.00 0.00 55.06 56.13 1e4h s HIS 88 Cb 0.09 -2.86 -0.10 0.00 1.11 0.00 0.00 32.58 30.83 1e4h s HIS 88 CO 0.51 -0.28 1.30 0.93 -0.85 0.00 0.00 174.74 176.35 1e4h h GLU 89 N 1.56 0.35 -1.94 1.40 4.39 -1.97 -3.36 114.58 115.01 1e4h h GLU 89 Ca -0.48 -0.40 0.30 0.00 0.34 0.00 0.00 59.36 59.12 1e4h h GLU 89 Cb 1.19 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 1e4h h GLU 89 CO 0.61 1.09 0.81 -3.38 -1.16 0.00 0.00 179.01 176.98 1e4h s HIS 90 N -3.19 0.00 -0.21 4.33 -3.43 -1.26 -3.40 115.29 108.12 1e4h s HIS 90 Ca -0.05 -0.16 -0.02 0.00 -0.80 0.00 0.00 55.06 54.03 1e4h s HIS 90 Cb 0.09 0.58 0.00 0.00 -1.43 0.00 0.00 32.58 31.82 1e4h s HIS 90 CO 0.86 -0.39 -0.09 0.00 -2.00 0.00 0.00 174.74 173.12 1e4h s ALA 91 N -2.24 2.65 -0.16 -1.38 0.00 -0.45 -4.90 121.76 115.28 1e4h s ALA 91 Ca 0.22 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 1e4h s ALA 91 Cb 0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1e4h s ALA 91 CO -0.01 -0.44 0.02 -1.21 0.00 0.00 0.00 175.76 174.12 1e4h s GLU 92 N 1.41 3.79 -0.22 0.00 2.02 -1.26 0.51 118.70 124.95 1e4h s GLU 92 Ca 0.05 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1e4h s GLU 92 Cb -0.14 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.05 1e4h s GLU 92 CO -0.06 0.31 -0.14 0.08 0.02 0.00 0.00 175.26 175.47 1e4h s VAL 93 N 0.23 1.99 -0.15 2.63 1.01 0.14 -4.93 120.40 121.32 1e4h s VAL 93 Ca 0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1e4h s VAL 93 Cb -0.13 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1e4h s VAL 93 CO 0.01 0.21 -0.08 -0.69 0.00 0.00 0.00 175.10 174.55 1e4h s VAL 94 N 1.24 3.40 0.16 2.92 1.01 -1.26 -0.27 120.40 127.59 1e4h s VAL 94 Ca -0.02 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1e4h s VAL 94 Cb -0.17 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1e4h s VAL 94 CO -0.09 0.50 0.41 0.72 0.00 0.00 0.00 175.10 176.64 1e4h s PHE 95 N 0.56 -0.04 -0.22 5.22 -0.71 -0.35 -5.00 117.98 117.43 1e4h s PHE 95 Ca -0.06 -0.30 -0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1e4h s PHE 95 Cb -0.15 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 1e4h s PHE 95 CO 0.03 -0.77 0.09 0.99 -1.34 0.00 0.00 175.22 174.22 1e4h s THR 96 N -3.86 4.78 -0.02 -4.49 2.01 -1.26 -0.58 115.64 112.23 1e4h s THR 96 Ca 0.08 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.81 1e4h s THR 96 Cb 0.01 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1e4h s THR 96 CO -0.06 0.39 0.74 0.00 -0.69 0.00 0.00 174.62 175.00 1e4h s ALA 97 N 0.94 3.34 -0.06 7.40 0.00 -0.12 -4.95 121.76 128.31 1e4h s ALA 97 Ca 0.05 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1e4h s ALA 97 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1e4h s ALA 97 CO 0.03 -0.04 -0.10 -0.80 0.00 0.00 0.00 175.76 174.85 1e4h s ASN 98 N 0.46 1.52 0.30 0.00 0.01 -1.26 -3.09 114.94 112.88 1e4h s ASN 98 Ca 0.39 -0.25 0.06 0.00 -0.71 0.00 0.00 52.86 52.35 1e4h s ASN 98 Cb -0.19 -0.68 0.48 0.00 0.41 0.00 0.00 41.25 41.27 1e4h s ASN 98 CO 0.21 0.02 1.73 0.44 -1.51 0.00 0.00 177.10 177.98 1e4h h ASP 99 N 6.94 0.29 -0.44 -1.22 3.45 -1.97 -3.27 116.42 120.20 1e4h h ASP 99 Ca -0.33 -0.11 -0.72 0.00 0.43 0.00 0.00 57.03 56.30 1e4h h ASP 99 Cb 1.18 -0.08 -0.07 0.00 -0.56 0.00 0.00 39.33 39.80 1e4h h ASP 99 CO 0.48 0.63 2.89 -1.20 -1.57 0.00 0.00 179.24 180.47 1e4h n SER 100 N -4.07 5.09 0.00 6.45 7.64 -1.26 -4.75 113.62 122.73 1e4h n SER 100 Ca -0.01 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1e4h n SER 100 Cb 0.45 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1e4h n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e4h n GLY 101 N 3.53 0.11 3.53 0.23 0.00 -1.23 -5.15 105.19 106.22 1e4h n GLY 101 Ca 0.53 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1e4h n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1e4h n PRO 102 N -0.03 0.83 0.15 1.61 -0.02 -1.26 -4.93 135.00 131.35 1e4h n PRO 102 Ca 0.00 0.31 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 1e4h n PRO 102 Cb 0.00 -1.84 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1e4h n PRO 102 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1e4h h ARG 103 N 0.78 0.00 -5.36 -0.52 -0.00 -1.82 -3.45 114.38 104.02 1e4h h ARG 103 Ca -0.45 0.00 -0.65 0.00 -0.00 0.00 0.00 59.98 58.89 1e4h h ARG 103 Cb 1.38 0.00 -0.24 0.00 -0.00 0.00 0.00 29.97 31.10 1e4h h ARG 103 CO 0.51 0.39 -0.72 -0.98 -0.00 0.00 0.00 179.97 179.18 1e4h s ARG 104 N -3.01 3.47 -0.17 0.08 3.03 0.66 -4.78 118.95 118.23 1e4h s ARG 104 Ca 0.04 -0.61 -0.02 0.00 2.03 0.00 0.00 55.73 57.17 1e4h s ARG 104 Cb 0.07 -2.75 -0.01 0.00 -1.03 0.00 0.00 34.95 31.23 1e4h s ARG 104 CO 0.73 0.25 -0.08 0.71 -1.13 0.00 0.00 175.30 175.79 1e4h s TYR 105 N 0.29 2.91 -0.20 5.89 1.51 -0.23 -0.81 117.35 126.70 1e4h s TYR 105 Ca -0.07 -0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1e4h s TYR 105 Cb -0.15 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1e4h s TYR 105 CO 0.04 -0.33 -0.15 0.99 -1.11 0.00 0.00 175.55 174.99 1e4h s THR 106 N 0.85 2.39 -0.41 -0.71 2.01 -0.02 -1.09 115.64 118.67 1e4h s THR 106 Ca -0.02 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 1e4h s THR 106 Cb -0.15 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1e4h s THR 106 CO 0.01 0.45 0.28 -0.63 -0.69 0.00 0.00 174.62 174.04 1e4h s ILE 107 N 1.32 4.97 -0.13 1.82 -1.09 -0.14 -0.76 121.20 127.19 1e4h s ILE 107 Ca 0.04 -0.83 -0.06 0.00 -2.23 0.00 0.00 60.65 57.57 1e4h s ILE 107 Cb -0.14 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1e4h s ILE 107 CO -0.10 -0.33 0.09 0.00 -1.23 0.00 0.00 174.94 173.37 1e4h s ALA 108 N 1.62 3.65 -0.08 9.38 0.00 -0.02 -1.23 121.76 135.08 1e4h s ALA 108 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1e4h s ALA 108 Cb -0.20 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1e4h s ALA 108 CO 0.08 0.52 -0.11 0.00 0.00 0.00 0.00 175.76 176.24 1e4h s ALA 109 N -0.70 1.31 -0.27 0.00 0.00 -0.21 -0.73 121.76 121.16 1e4h s ALA 109 Ca 0.12 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 1e4h s ALA 109 Cb -0.12 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1e4h s ALA 109 CO 0.03 -0.02 0.05 -1.17 0.00 0.00 0.00 175.76 174.65 1e4h s LEU 110 N 0.93 3.57 -0.11 0.00 2.96 0.07 -1.06 118.68 125.03 1e4h s LEU 110 Ca -0.09 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1e4h s LEU 110 Cb -0.15 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1e4h s LEU 110 CO 0.01 -0.12 0.04 -0.76 -1.32 0.00 0.00 176.35 174.19 1e4h s LEU 111 N 1.52 3.76 0.05 -0.68 1.43 0.13 -1.64 118.68 123.25 1e4h s LEU 111 Ca 0.04 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1e4h s LEU 111 Cb -0.16 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1e4h s LEU 111 CO 0.02 0.34 -0.07 -0.44 0.23 0.00 0.00 176.35 176.42 1e4h s SER 112 N -0.63 0.87 0.31 2.29 0.01 0.37 -0.35 113.70 116.57 1e4h s SER 112 Ca 0.11 -0.62 0.07 0.00 1.31 0.00 0.00 55.95 56.81 1e4h s SER 112 Cb -0.12 0.05 0.78 0.00 0.21 0.00 0.00 66.02 66.94 1e4h s SER 112 CO 0.02 -0.25 1.76 -0.65 0.41 0.00 0.00 173.24 174.53 1e4h h PRO 113 N 4.25 0.69 -0.09 12.44 0.11 -1.97 -2.71 132.00 144.71 1e4h h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1e4h h PRO 113 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1e4h h PRO 113 CO 0.45 0.46 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 1e4h n TYR 114 N -4.80 0.27 -3.60 0.65 4.02 -1.26 -1.08 117.16 111.35 1e4h n TYR 114 Ca 0.24 -0.84 -0.14 0.00 -0.01 0.00 0.00 57.90 57.16 1e4h n TYR 114 Cb 0.62 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.71 1e4h n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1e4h s SER 115 N -2.14 -0.62 0.02 7.72 0.15 -1.02 -4.97 113.70 112.83 1e4h s SER 115 Ca 0.28 1.04 -0.15 0.00 0.70 0.00 0.00 55.95 57.82 1e4h s SER 115 Cb 0.23 0.99 0.02 0.00 -1.71 0.00 0.00 66.02 65.56 1e4h s SER 115 CO 0.05 -0.33 0.32 -0.72 1.20 0.00 0.00 173.24 173.76 1e4h s TYR 116 N -0.20 -0.16 0.05 3.44 -0.85 -1.26 -0.48 117.35 117.89 1e4h s TYR 116 Ca -0.02 0.13 0.06 0.00 -0.52 0.00 0.00 57.07 56.72 1e4h s TYR 116 Cb -0.03 0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.39 1e4h s TYR 116 CO 0.02 -0.46 -0.17 -1.54 -1.52 0.00 0.00 175.55 171.87 1e4h s SER 117 N -1.74 2.04 -0.03 -0.18 1.04 -0.65 -4.98 113.70 109.20 1e4h s SER 117 Ca -0.09 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.87 1e4h s SER 117 Cb -0.03 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1e4h s SER 117 CO 0.00 0.08 -0.11 0.28 0.98 0.00 0.00 173.24 174.47 1e4h s THR 118 N -0.87 0.93 0.03 2.02 -1.32 -1.26 -0.75 115.64 114.42 1e4h s THR 118 Ca 0.04 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.11 1e4h s THR 118 Cb -0.08 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 1e4h s THR 118 CO 0.02 0.28 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.71 1e4h s THR 119 N 0.10 0.87 -0.19 5.08 2.01 0.09 -4.99 115.64 118.61 1e4h s THR 119 Ca -0.02 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1e4h s THR 119 Cb -0.09 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1e4h s THR 119 CO 0.01 -0.01 -0.01 0.00 -0.69 0.00 0.00 174.62 173.91 1e4h s ALA 120 N -0.75 3.00 -0.34 7.40 0.00 -1.26 -0.84 121.76 128.97 1e4h s ALA 120 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1e4h s ALA 120 Cb -0.07 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.40 1e4h s ALA 120 CO 0.01 -0.10 0.08 0.08 0.00 0.00 0.00 175.76 175.82 1e4h s VAL 121 N 0.92 3.16 -0.22 0.00 1.01 0.06 -4.96 120.40 120.36 1e4h s VAL 121 Ca 0.01 -1.59 -0.06 0.00 0.00 0.00 0.00 61.98 60.34 1e4h s VAL 121 Cb -0.14 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1e4h s VAL 121 CO 0.02 -0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.13 1e4h s VAL 122 N 1.23 4.01 0.25 2.92 1.01 -1.26 -0.84 120.40 127.72 1e4h s VAL 122 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1e4h s VAL 122 Cb -0.21 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1e4h s VAL 122 CO -0.02 0.39 0.12 0.42 0.00 0.00 0.00 175.10 176.01 1e4h s THR 123 N 1.30 0.36 0.42 3.92 -4.23 0.01 -4.86 115.64 112.56 1e4h s THR 123 Ca 0.04 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1e4h s THR 123 Cb -0.15 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 1e4h s THR 123 CO 0.02 0.00 0.66 0.20 -0.54 0.00 0.00 174.62 174.95 1e4h s ASN 124 N -3.28 6.08 0.00 3.99 0.01 -1.26 -0.25 114.94 120.23 1e4h s ASN 124 Ca 0.38 0.49 0.29 0.00 -0.71 0.00 0.00 52.86 53.30 1e4h s ASN 124 Cb 0.07 -1.87 1.16 0.00 0.41 0.00 0.00 41.25 41.03 1e4h s ASN 124 CO 0.14 -0.54 1.81 -0.81 -1.51 0.00 0.00 177.10 176.19