#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y18 n VAL 2 N 0.00 0.27 -4.16 3.84 0.31 -1.26 -4.45 118.33 112.88 1y18 n VAL 2 Ca 0.00 -0.07 -0.27 0.00 -0.01 0.00 0.00 64.34 63.99 1y18 n VAL 2 Cb 0.00 -1.61 -0.17 0.00 -0.91 0.00 0.00 33.84 31.15 1y18 n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1y18 s LYS 3 N 0.56 1.82 -0.16 5.55 1.02 0.92 -4.99 119.74 124.46 1y18 s LYS 3 Ca 0.75 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.35 1y18 s LYS 3 Cb -0.64 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1y18 s LYS 3 CO 0.40 -0.17 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.04 1y18 s LEU 4 N 1.34 1.76 -0.19 3.17 1.43 -1.26 -1.56 118.68 123.37 1y18 s LEU 4 Ca -0.01 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1y18 s LEU 4 Cb -0.14 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.01 1y18 s LEU 4 CO -0.05 -0.10 -0.08 -0.76 0.23 0.00 0.00 176.35 175.59 1y18 s LEU 5 N 1.51 2.08 0.56 1.79 1.43 -0.42 -4.32 118.68 121.32 1y18 s LEU 5 Ca 0.03 -0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1y18 s LEU 5 Cb -0.14 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1y18 s LEU 5 CO -0.09 -0.17 0.91 -1.61 0.23 0.00 0.00 176.35 175.62 1y18 s GLU 6 N 1.48 3.40 0.04 1.70 8.01 -1.26 -1.00 118.70 131.07 1y18 s GLU 6 Ca -0.01 0.37 -0.27 0.00 0.01 0.00 0.00 54.97 55.07 1y18 s GLU 6 Cb -0.16 -2.23 0.09 0.00 -4.31 0.00 0.00 34.13 27.52 1y18 s GLU 6 CO -0.08 -0.48 0.79 -1.54 0.01 0.00 0.00 175.26 173.96 1y18 s SER 7 N -4.19 -0.45 0.00 -0.19 1.04 -0.19 -4.83 113.70 104.90 1y18 s SER 7 Ca 0.52 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1y18 s SER 7 Cb -0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1y18 s SER 7 CO 0.49 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1y18 n GLY 8 N -0.20 0.77 3.46 7.32 0.00 -1.26 -0.67 105.19 114.60 1y18 n GLY 8 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1y18 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y18 s GLY 9 N -1.81 1.50 0.00 -0.02 0.00 -1.26 -4.79 107.32 100.94 1y18 s GLY 9 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1y18 s GLY 9 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1y18 n GLY 10 N 0.33 0.99 3.72 0.20 0.00 0.14 -4.95 105.19 105.62 1y18 n GLY 10 Ca 0.10 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1y18 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y18 s LEU 11 N 0.00 4.47 0.15 0.99 2.96 -1.26 -1.97 118.68 124.03 1y18 s LEU 11 Ca 0.00 1.77 0.03 0.00 -0.22 0.00 0.00 54.13 55.71 1y18 s LEU 11 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1y18 s LEU 11 CO 0.00 -0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 174.87 1y18 s ALA 12 N 0.21 1.36 -0.12 5.97 0.00 -0.41 -4.96 121.76 123.80 1y18 s ALA 12 Ca 0.48 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1y18 s ALA 12 Cb -0.23 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1y18 s ALA 12 CO 0.30 -0.22 0.13 -0.65 0.00 0.00 0.00 175.76 175.32 1y18 s GLN 13 N -3.83 3.47 0.32 0.00 1.11 -1.26 -1.58 119.66 117.88 1y18 s GLN 13 Ca 0.19 -0.16 -0.27 0.00 0.01 0.00 0.00 55.36 55.14 1y18 s GLN 13 Cb 0.05 -3.18 -0.13 0.00 -1.01 0.00 0.00 33.01 28.73 1y18 s GLN 13 CO 0.01 0.74 0.99 -0.35 0.01 0.00 0.00 175.29 176.70 1y18 n PRO 14 N 2.11 1.34 0.00 2.91 -0.04 -1.26 -0.79 135.00 139.26 1y18 n PRO 14 Ca -0.20 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1y18 n PRO 14 Cb 0.55 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1y18 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y18 n GLY 15 N 1.22 2.56 0.01 0.55 0.00 0.24 -4.89 105.19 104.88 1y18 n GLY 15 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1y18 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 16 N -2.00 -0.67 3.27 -0.02 0.00 0.03 -3.99 105.19 101.80 1y18 n GLY 16 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 1y18 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y18 s SER 17 N -1.01 1.73 -0.17 1.61 0.01 -1.26 -1.50 113.70 113.10 1y18 s SER 17 Ca 0.00 -1.08 -0.21 0.00 1.31 0.00 0.00 55.95 55.97 1y18 s SER 17 Cb -0.00 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.30 1y18 s SER 17 CO 0.00 -0.40 0.57 -0.22 0.41 0.00 0.00 173.24 173.60 1y18 s LEU 18 N -3.20 -0.18 -0.23 2.44 2.96 -0.21 -4.96 118.68 115.29 1y18 s LEU 18 Ca 0.20 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 1y18 s LEU 18 Cb 0.04 2.01 0.01 0.00 0.50 0.00 0.00 46.19 48.75 1y18 s LEU 18 CO 0.03 -0.29 -0.08 -0.75 -1.32 0.00 0.00 176.35 173.94 1y18 s LYS 19 N -0.09 3.04 0.11 1.98 2.20 -1.26 0.73 119.74 126.44 1y18 s LYS 19 Ca -0.03 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1y18 s LYS 19 Cb -0.03 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1y18 s LYS 19 CO 0.03 -0.30 0.29 -0.51 -0.36 0.00 0.00 175.35 174.50 1y18 s LEU 20 N 1.37 4.31 0.16 5.43 1.43 0.44 -4.68 118.68 127.14 1y18 s LEU 20 Ca 0.03 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1y18 s LEU 20 Cb -0.15 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1y18 s LEU 20 CO -0.05 0.10 -0.08 -0.55 0.23 0.00 0.00 176.35 175.99 1y18 s SER 21 N -2.54 1.80 -0.09 2.29 0.15 0.16 -1.43 113.70 114.04 1y18 s SER 21 Ca 0.38 -1.05 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 1y18 s SER 21 Cb -0.12 -0.01 0.05 0.00 -1.71 0.00 0.00 66.02 64.22 1y18 s SER 21 CO 0.27 -0.36 0.20 0.00 1.20 0.00 0.00 173.24 174.54 1y18 s ALA 23 N 1.53 3.56 0.21 0.00 0.00 -0.17 -1.65 121.76 125.24 1y18 s ALA 23 Ca -0.06 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.30 1y18 s ALA 23 Cb -0.11 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1y18 s ALA 23 CO -0.07 0.28 -0.22 0.00 0.00 0.00 0.00 175.76 175.75 1y18 s ALA 24 N 0.03 2.60 0.03 0.00 0.00 -0.28 -1.30 121.76 122.83 1y18 s ALA 24 Ca 0.07 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.09 1y18 s ALA 24 Cb -0.12 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.75 1y18 s ALA 24 CO 0.00 0.41 0.86 -1.54 0.00 0.00 0.00 175.76 175.49 1y18 s SER 25 N -2.82 -0.37 0.00 0.00 1.04 -0.60 -4.84 113.70 106.11 1y18 s SER 25 Ca 0.23 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1y18 s SER 25 Cb -0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1y18 s SER 25 CO 0.11 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1y18 n GLY 26 N -0.28 0.70 3.48 7.32 0.00 -1.26 -0.06 105.19 115.09 1y18 n GLY 26 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1y18 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y18 s PHE 27 N -2.35 -0.49 -1.08 1.61 -0.71 -1.26 -4.42 117.98 109.29 1y18 s PHE 27 Ca 0.00 0.49 -0.24 0.00 -1.04 0.00 0.00 56.93 56.14 1y18 s PHE 27 Cb 0.00 0.51 -0.14 0.00 -1.21 0.00 0.00 43.02 42.18 1y18 s PHE 27 CO 0.00 -0.67 1.96 -3.47 -1.34 0.00 0.00 175.22 171.70 1y18 n ASP 28 N 0.03 2.56 -0.32 1.98 -0.08 -1.26 -4.76 116.55 114.69 1y18 n ASP 28 Ca -0.14 -2.64 0.24 0.00 -1.51 0.00 0.00 54.79 50.73 1y18 n ASP 28 Cb 0.62 -1.63 0.46 0.00 2.34 0.00 0.00 41.12 42.91 1y18 n ASP 28 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1y18 h PHE 29 N 9.96 0.62 0.00 -0.67 3.57 -1.95 0.26 116.94 128.73 1y18 h PHE 29 Ca 0.19 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1y18 h PHE 29 Cb 0.91 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1y18 h PHE 29 CO 1.16 -0.36 0.01 0.07 -2.23 0.00 0.00 178.31 176.96 1y18 h ARG 30 N 0.11 0.00 -0.13 1.11 0.11 -1.86 -2.31 114.38 111.41 1y18 h ARG 30 Ca 0.73 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.81 1y18 h ARG 30 Cb 1.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.84 1y18 h ARG 30 CO -0.75 0.00 0.00 0.54 0.10 0.00 0.00 179.97 179.86 1y18 n ARG 31 N -2.41 1.82 -4.34 0.08 1.74 0.92 -4.73 116.66 109.74 1y18 n ARG 31 Ca -0.02 -1.77 -0.30 0.00 -0.77 0.00 0.00 57.85 55.00 1y18 n ARG 31 Cb 0.05 -1.38 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 1y18 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1y18 s TYR 32 N -1.45 2.54 0.36 -1.55 1.51 -0.87 -4.90 117.35 112.99 1y18 s TYR 32 Ca 0.25 -0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 55.81 1y18 s TYR 32 Cb 0.16 -1.36 -0.10 0.00 -0.11 0.00 0.00 41.96 40.55 1y18 s TYR 32 CO 0.24 0.37 0.95 -1.58 -1.11 0.00 0.00 175.55 174.42 1y18 s TRP 33 N -1.12 3.56 0.15 2.71 0.52 -1.24 -4.05 118.94 119.47 1y18 s TRP 33 Ca 0.18 1.73 0.11 0.00 0.02 0.00 0.00 56.10 58.13 1y18 s TRP 33 Cb -0.11 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 1y18 s TRP 33 CO 0.10 0.09 -0.25 -1.64 0.02 0.00 0.00 176.95 175.26 1y18 s MET 34 N -2.43 1.41 0.06 4.98 -1.94 -0.41 -1.58 119.30 119.39 1y18 s MET 34 Ca 0.54 -1.39 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1y18 s MET 34 Cb -0.16 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 1y18 s MET 34 CO 0.20 0.42 -0.08 0.99 -0.01 0.00 0.00 175.02 176.54 1y18 s THR 35 N -1.29 0.58 -0.11 2.05 2.01 0.15 -0.55 115.64 118.47 1y18 s THR 35 Ca 0.15 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1y18 s THR 35 Cb -0.09 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.55 1y18 s THR 35 CO 0.07 -0.50 -0.22 0.26 -0.69 0.00 0.00 174.62 173.55 1y18 s TRP 36 N -1.90 2.62 0.01 4.92 0.52 -0.58 0.15 118.94 124.67 1y18 s TRP 36 Ca -0.05 -1.00 0.02 0.00 0.02 0.00 0.00 56.10 55.09 1y18 s TRP 36 Cb -0.06 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1y18 s TRP 36 CO -0.01 -0.40 -0.06 0.08 0.02 0.00 0.00 176.95 176.58 1y18 s VAL 37 N 0.39 0.49 0.27 4.03 1.01 -0.55 -1.20 120.40 124.83 1y18 s VAL 37 Ca -0.16 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1y18 s VAL 37 Cb -0.17 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1y18 s VAL 37 CO 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 175.10 175.10 1y18 s ARG 38 N -0.60 1.50 -0.21 2.72 1.70 -0.49 0.15 118.95 123.73 1y18 s ARG 38 Ca -0.02 -1.76 -0.04 0.00 -0.47 0.00 0.00 55.73 53.44 1y18 s ARG 38 Cb -0.05 -0.99 0.09 0.00 -0.57 0.00 0.00 34.95 33.43 1y18 s ARG 38 CO 0.00 -0.01 0.21 -1.14 -1.08 0.00 0.00 175.30 173.27 1y18 s GLN 39 N -3.77 0.18 0.65 3.89 0.74 0.01 -0.82 119.66 120.54 1y18 s GLN 39 Ca 0.29 0.13 -0.11 0.00 0.05 0.00 0.00 55.36 55.72 1y18 s GLN 39 Cb 0.05 -1.25 -0.02 0.00 1.10 0.00 0.00 33.01 32.88 1y18 s GLN 39 CO 0.11 -0.69 1.04 0.00 -0.55 0.00 0.00 175.29 175.20 1y18 s ALA 40 N 2.30 2.93 0.27 1.58 0.00 -1.26 -1.52 121.76 126.06 1y18 s ALA 40 Ca 0.07 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1y18 s ALA 40 Cb -0.16 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 1y18 s ALA 40 CO -0.14 -0.90 1.48 -2.30 0.00 0.00 0.00 175.76 173.91 1y18 n PRO 41 N -2.89 2.34 -1.92 0.00 -0.02 -1.26 -1.85 135.00 129.41 1y18 n PRO 41 Ca 0.07 0.83 -0.18 0.00 -2.02 0.00 0.00 63.50 62.20 1y18 n PRO 41 Cb 0.54 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 1y18 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y18 n GLY 42 N 2.03 0.75 3.32 -1.23 0.00 -1.26 -4.97 105.19 103.82 1y18 n GLY 42 Ca 0.10 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1y18 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s LYS 43 N -4.19 1.52 0.00 1.61 -2.85 -0.77 -5.17 119.74 109.89 1y18 s LYS 43 Ca 0.00 -1.85 0.00 0.00 -1.00 0.00 0.00 55.97 53.12 1y18 s LYS 43 Cb 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 1y18 s LYS 43 CO 0.00 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.45 1y18 n GLY 44 N -0.53 1.14 3.79 0.59 0.00 -1.26 -4.66 105.19 104.26 1y18 n GLY 44 Ca 0.01 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1y18 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y18 s LEU 45 N 0.00 3.56 -0.05 0.99 1.43 -1.26 -4.29 118.68 119.06 1y18 s LEU 45 Ca 0.00 1.96 -0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1y18 s LEU 45 Cb 0.00 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1y18 s LEU 45 CO 0.00 -1.27 0.05 -0.70 0.23 0.00 0.00 176.35 174.66 1y18 s GLU 46 N -3.81 0.03 0.07 1.70 2.12 0.00 -4.99 118.70 113.82 1y18 s GLU 46 Ca 0.67 0.32 -0.31 0.00 0.36 0.00 0.00 54.97 56.01 1y18 s GLU 46 Cb -0.19 -0.63 -0.06 0.00 0.26 0.00 0.00 34.13 33.50 1y18 s GLU 46 CO 0.34 -0.34 1.29 -0.46 -0.54 0.00 0.00 175.26 175.55 1y18 s TRP 47 N 2.14 3.30 -0.24 5.30 -0.00 -1.26 -1.39 118.94 126.79 1y18 s TRP 47 Ca 0.05 1.12 -0.09 0.00 -0.00 0.00 0.00 56.10 57.17 1y18 s TRP 47 Cb -0.12 -3.54 -0.17 0.00 -0.00 0.00 0.00 33.47 29.63 1y18 s TRP 47 CO -0.04 -1.81 -0.10 -0.89 -0.00 0.00 0.00 176.95 174.11 1y18 n ILE 48 N 4.02 1.56 0.00 5.86 5.41 -0.34 -4.51 119.36 131.36 1y18 n ILE 48 Ca 0.10 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1y18 n ILE 48 Cb 0.45 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1y18 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y18 n GLY 49 N 1.71 1.27 3.16 7.39 0.00 -1.17 -0.51 105.19 117.05 1y18 n GLY 49 Ca -0.45 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 1y18 n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1y18 s ASP 50 N 0.00 0.40 -0.01 1.61 1.47 -0.31 -1.53 116.67 118.30 1y18 s ASP 50 Ca 0.00 -1.22 0.01 0.00 1.18 0.00 0.00 52.55 52.52 1y18 s ASP 50 Cb 0.00 0.28 0.01 0.00 -0.34 0.00 0.00 42.92 42.87 1y18 s ASP 50 CO 0.00 -0.72 -0.01 -0.51 0.68 0.00 0.00 175.17 174.61 1y18 s ILE 51 N -4.01 0.15 0.80 2.11 2.07 0.29 -1.75 121.20 120.86 1y18 s ILE 51 Ca 0.25 -0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.37 1y18 s ILE 51 Cb 0.07 -0.18 0.07 0.00 0.13 0.00 0.00 42.46 42.56 1y18 s ILE 51 CO 0.03 0.08 1.13 0.54 -1.91 0.00 0.00 174.94 174.81 1y18 s ASN 52 N 0.40 4.52 0.07 4.50 4.22 -0.80 -1.28 114.94 126.57 1y18 s ASN 52 Ca -0.04 1.03 -0.14 0.00 -2.14 0.00 0.00 52.86 51.57 1y18 s ASN 52 Cb -0.06 -1.67 -0.04 0.00 1.28 0.00 0.00 41.25 40.76 1y18 s ASN 52 CO -0.01 -1.92 1.24 -0.65 -2.04 0.00 0.00 177.10 173.72 1y18 h PRO 52 N -1.06 -0.06 -0.99 3.55 0.11 -1.85 -1.47 132.00 130.23 1y18 h PRO 52 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y18 h PRO 52 Cb 1.30 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1y18 h PRO 52 CO 0.63 -0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1y18 n ASP 53 N -3.94 1.43 -0.17 -2.05 5.68 -1.26 -4.84 116.55 111.39 1y18 n ASP 53 Ca 0.00 -1.98 -0.02 0.00 -0.50 0.00 0.00 54.79 52.29 1y18 n ASP 53 Cb 0.13 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 39.60 1y18 n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1y18 n SER 54 N 0.12 -4.10 0.22 -1.12 7.64 -0.55 -4.78 113.62 111.04 1y18 n SER 54 Ca 0.00 0.04 0.10 0.00 1.01 0.00 0.00 58.87 60.03 1y18 n SER 54 Cb 0.30 -2.68 0.33 0.00 -1.01 0.00 0.00 64.21 61.15 1y18 n SER 54 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1y18 h ARG 55 N 0.00 0.00 -4.65 1.43 3.08 -1.88 -3.43 114.38 108.93 1y18 h ARG 55 Ca -0.04 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 1y18 h ARG 55 Cb 0.72 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.42 1y18 h ARG 55 CO 0.05 0.17 -0.83 0.99 -1.07 0.00 0.00 179.97 179.29 1y18 s THR 56 N -3.38 1.46 -0.19 2.04 2.01 -1.26 -5.06 115.64 111.26 1y18 s THR 56 Ca 0.03 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1y18 s THR 56 Cb 0.08 -1.36 0.06 0.00 0.01 0.00 0.00 72.50 71.29 1y18 s THR 56 CO 0.65 0.44 0.06 -0.63 -0.69 0.00 0.00 174.62 174.45 1y18 s ILE 57 N 1.25 0.23 -0.04 1.82 1.01 -1.26 -1.90 121.20 122.31 1y18 s ILE 57 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1y18 s ILE 57 Cb -0.14 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1y18 s ILE 57 CO -0.06 -0.26 0.30 0.20 0.00 0.00 0.00 174.94 175.13 1y18 s ASN 58 N 1.99 6.63 0.18 3.58 0.01 -0.72 -4.96 114.94 121.65 1y18 s ASN 58 Ca 0.01 0.75 0.08 0.00 -0.71 0.00 0.00 52.86 52.98 1y18 s ASN 58 Cb -0.17 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1y18 s ASN 58 CO -0.09 0.34 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.37 1y18 s TYR 59 N -1.09 1.71 0.71 2.20 2.02 -1.26 -1.16 117.35 120.48 1y18 s TYR 59 Ca 0.21 -0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 1y18 s TYR 59 Cb -0.15 -0.83 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1y18 s TYR 59 CO 0.10 0.31 1.09 0.00 -1.57 0.00 0.00 175.55 175.49 1y18 s MET 60 N -3.14 2.62 -0.41 -0.62 0.23 0.34 -4.82 119.30 113.50 1y18 s MET 60 Ca 0.18 1.20 -0.27 0.00 -1.03 0.00 0.00 55.69 55.77 1y18 s MET 60 Cb -0.03 -1.94 -0.06 0.00 -1.53 0.00 0.00 34.83 31.27 1y18 s MET 60 CO 0.06 -1.36 2.31 -2.14 -2.03 0.00 0.00 175.02 171.85 1y18 s PRO 61 N -4.61 2.46 0.00 3.16 0.02 -1.26 -4.83 135.00 129.94 1y18 s PRO 61 Ca 0.63 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1y18 s PRO 61 Cb -0.17 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 29.84 1y18 s PRO 61 CO 0.50 -2.87 0.00 -1.13 -0.33 0.00 0.00 177.00 173.17 1y18 n SER 62 N 14.36 0.00 -4.92 2.53 3.41 -1.26 -5.17 113.62 122.58 1y18 n SER 62 Ca 0.33 -0.55 -0.27 0.00 -0.26 0.00 0.00 58.87 58.13 1y18 n SER 62 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1y18 n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y18 s LEU 63 N 0.00 4.01 0.31 1.04 1.43 -1.26 -5.03 118.68 119.17 1y18 s LEU 63 Ca 0.00 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 1y18 s LEU 63 Cb 0.00 -3.46 -0.12 0.00 0.03 0.00 0.00 46.19 42.63 1y18 s LEU 63 CO 0.00 -0.26 1.40 1.17 0.23 0.00 0.00 176.35 178.89 1y18 n LYS 64 N -1.38 2.26 -1.08 1.70 4.81 -1.26 -1.90 118.16 121.31 1y18 n LYS 64 Ca -0.03 0.80 -0.07 0.00 -0.87 0.00 0.00 58.31 58.14 1y18 n LYS 64 Cb 0.55 -2.45 -0.03 0.00 0.02 0.00 0.00 35.03 33.11 1y18 n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1y18 n ASP 65 N 1.41 -4.26 -0.33 3.14 8.00 -1.26 -4.79 116.55 118.46 1y18 n ASP 65 Ca 0.07 0.18 -0.02 0.00 0.71 0.00 0.00 54.79 55.73 1y18 n ASP 65 Cb 0.35 -3.20 0.12 0.00 -0.02 0.00 0.00 41.12 38.37 1y18 n ASP 65 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1y18 h LYS 66 N 0.00 1.24 -5.63 -1.24 3.11 -1.74 -3.43 116.57 108.88 1y18 h LYS 66 Ca -0.15 -0.11 -0.46 0.00 -2.81 0.00 0.00 60.65 57.12 1y18 h LYS 66 Cb 0.87 -0.26 -0.19 0.00 -1.00 0.00 0.00 32.23 31.65 1y18 h LYS 66 CO 0.22 0.86 -0.77 -0.06 -2.81 0.00 0.00 179.45 176.89 1y18 s PHE 67 N -5.93 1.55 -0.31 1.91 0.40 -1.26 -2.57 117.98 111.76 1y18 s PHE 67 Ca -0.12 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1y18 s PHE 67 Cb 0.17 -0.80 0.13 0.00 0.51 0.00 0.00 43.02 43.03 1y18 s PHE 67 CO 0.82 0.20 0.23 0.42 0.70 0.00 0.00 175.22 177.59 1y18 s ILE 68 N -1.97 -0.18 0.24 0.64 1.09 -0.77 -4.94 121.20 115.31 1y18 s ILE 68 Ca 0.10 -0.88 -0.27 0.00 -1.10 0.00 0.00 60.65 58.50 1y18 s ILE 68 Cb -0.06 -0.96 -0.09 0.00 -1.06 0.00 0.00 42.46 40.29 1y18 s ILE 68 CO 0.04 -0.67 0.88 -0.63 -0.10 0.00 0.00 174.94 174.45 1y18 s ILE 69 N 1.90 4.23 0.27 2.92 1.01 -1.26 -2.06 121.20 128.21 1y18 s ILE 69 Ca 0.12 1.85 -0.17 0.00 0.00 0.00 0.00 60.65 62.44 1y18 s ILE 69 Cb -0.17 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.16 1y18 s ILE 69 CO -0.24 0.39 0.62 -0.94 0.00 0.00 0.00 174.94 174.78 1y18 s SER 70 N -1.32 -0.17 0.13 3.58 1.04 -0.92 -5.00 113.70 111.04 1y18 s SER 70 Ca 0.42 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 1y18 s SER 70 Cb -0.23 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1y18 s SER 70 CO 0.27 -1.27 0.38 0.00 0.98 0.00 0.00 173.24 173.60 1y18 s ARG 71 N -3.91 1.07 -0.42 4.02 1.70 -1.26 -0.58 118.95 119.56 1y18 s ARG 71 Ca 0.16 -0.78 0.02 0.00 -0.47 0.00 0.00 55.73 54.66 1y18 s ARG 71 Cb -0.04 0.45 0.14 0.00 -0.57 0.00 0.00 34.95 34.94 1y18 s ARG 71 CO 0.08 -0.41 0.24 -0.51 -1.08 0.00 0.00 175.30 173.62 1y18 s ASP 72 N -2.83 3.41 0.59 -2.89 1.11 -0.77 -4.98 116.67 110.31 1y18 s ASP 72 Ca 0.04 -2.57 0.29 0.00 0.18 0.00 0.00 52.55 50.49 1y18 s ASP 72 Cb 0.02 -0.87 1.60 0.00 1.07 0.00 0.00 42.92 44.75 1y18 s ASP 72 CO -0.10 -0.27 2.03 0.78 1.18 0.00 0.00 175.17 178.79 1y18 h ASN 73 N 6.71 0.00 -0.03 0.27 4.21 -1.92 0.46 115.58 125.27 1y18 h ASN 73 Ca 0.03 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.42 1y18 h ASN 73 Cb 0.93 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 1y18 h ASN 73 CO 0.43 0.00 -0.34 0.00 -1.29 0.00 0.00 177.43 176.23 1y18 h ALA 74 N 1.66 0.97 -0.46 -0.83 0.00 -1.95 -3.06 119.26 115.59 1y18 h ALA 74 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1y18 h ALA 74 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1y18 h ALA 74 CO -0.00 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.49 1y18 n LYS 75 N -4.07 3.54 -4.23 0.00 4.01 0.06 -4.98 118.16 112.50 1y18 n LYS 75 Ca -0.01 -2.79 -0.37 0.00 -0.51 0.00 0.00 58.31 54.63 1y18 n LYS 75 Cb 0.47 -1.84 -0.05 0.00 -0.51 0.00 0.00 35.03 33.09 1y18 n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1y18 n ASN 76 N 0.39 -0.97 -4.20 4.39 3.02 -0.66 -4.79 115.26 112.44 1y18 n ASN 76 Ca 0.22 -1.29 -0.15 0.00 -0.03 0.00 0.00 54.58 53.34 1y18 n ASN 76 Cb 0.87 -1.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.36 1y18 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1y18 s SER 77 N -4.06 1.58 -0.02 6.41 0.01 -1.14 -1.12 113.70 115.35 1y18 s SER 77 Ca 0.19 -0.86 0.04 0.00 1.31 0.00 0.00 55.95 56.63 1y18 s SER 77 Cb -0.11 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 1y18 s SER 77 CO 0.99 -0.27 -0.12 -0.22 0.41 0.00 0.00 173.24 174.02 1y18 s LEU 78 N -2.60 1.93 0.14 2.44 2.96 -0.66 -1.84 118.68 121.05 1y18 s LEU 78 Ca 0.08 -0.24 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1y18 s LEU 78 Cb -0.02 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 1y18 s LEU 78 CO 0.00 0.13 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.64 1y18 s TYR 79 N -0.08 1.97 -0.10 5.38 2.02 0.25 -0.94 117.35 125.85 1y18 s TYR 79 Ca 0.01 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1y18 s TYR 79 Cb -0.07 -1.03 0.04 0.00 -0.40 0.00 0.00 41.96 40.50 1y18 s TYR 79 CO 0.00 0.32 0.04 -1.17 -1.57 0.00 0.00 175.55 173.17 1y18 s LEU 80 N -2.31 0.52 -0.38 -1.29 2.96 -0.51 -2.15 118.68 115.52 1y18 s LEU 80 Ca 0.13 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 1y18 s LEU 80 Cb -0.08 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.27 1y18 s LEU 80 CO 0.06 -0.26 0.28 -1.10 -1.32 0.00 0.00 176.35 174.02 1y18 s GLN 81 N 2.04 3.20 0.12 1.98 1.11 -0.87 -0.42 119.66 126.81 1y18 s GLN 81 Ca 0.03 -0.85 -0.08 0.00 0.01 0.00 0.00 55.36 54.48 1y18 s GLN 81 Cb -0.14 -3.91 -0.06 0.00 -1.01 0.00 0.00 33.01 27.90 1y18 s GLN 81 CO -0.06 -0.63 0.41 -0.51 0.01 0.00 0.00 175.29 174.52 1y18 s LEU 82 N 1.72 4.29 0.15 2.90 1.43 0.22 -1.84 118.68 127.55 1y18 s LEU 82 Ca 0.06 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 1y18 s LEU 82 Cb -0.18 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1y18 s LEU 82 CO 0.10 0.09 0.30 -0.94 0.23 0.00 0.00 176.35 176.14 1y18 s SER 82 N -2.09 -0.00 -1.51 2.29 1.04 -1.06 -1.05 113.70 111.32 1y18 s SER 82 Ca 0.38 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1y18 s SER 82 Cb -0.13 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1y18 s SER 82 CO 0.21 -0.87 0.52 0.54 0.98 0.00 0.00 173.24 174.62 1y18 n ARG 82 N -0.19 -3.16 -1.68 4.02 1.74 -0.56 -4.82 116.66 112.01 1y18 n ARG 82 Ca -0.10 0.38 -0.44 0.00 -0.77 0.00 0.00 57.85 56.91 1y18 n ARG 82 Cb 0.63 -4.66 -0.04 0.00 -1.02 0.00 0.00 32.46 27.37 1y18 n ARG 82 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y18 n LEU 82 N -4.42 3.70 -4.53 0.55 4.77 -0.69 -4.55 117.00 111.84 1y18 n LEU 82 Ca -0.19 1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.54 1y18 n LEU 82 Cb 0.62 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1y18 n LEU 82 CO 0.79 0.02 -0.40 0.00 -1.33 0.00 0.00 177.39 176.47 1y18 s ARG 83 N 2.64 1.78 0.50 3.23 1.70 -1.26 0.80 118.95 128.35 1y18 s ARG 83 Ca 0.84 -1.91 0.25 0.00 -0.47 0.00 0.00 55.73 54.44 1y18 s ARG 83 Cb -0.57 -1.69 1.32 0.00 -0.57 0.00 0.00 34.95 33.44 1y18 s ARG 83 CO 0.41 0.17 1.93 0.66 -1.08 0.00 0.00 175.30 177.38 1y18 h SER 84 N 2.07 0.13 0.17 -2.89 4.64 -1.95 0.23 113.55 115.94 1y18 h SER 84 Ca -0.42 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1y18 h SER 84 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1y18 h SER 84 CO 0.69 0.06 0.00 -0.33 -0.87 0.00 0.00 176.83 176.37 1y18 h GLU 85 N 0.13 0.00 -0.01 4.77 4.39 -1.95 0.19 114.58 122.11 1y18 h GLU 85 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1y18 h GLU 85 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1y18 h GLU 85 CO -0.05 0.00 -0.09 -0.25 -1.16 0.00 0.00 179.01 177.46 1y18 n ASP 86 N -2.62 0.63 -4.65 1.42 9.92 0.79 -4.80 116.55 117.24 1y18 n ASP 86 Ca -0.01 -0.81 -0.42 0.00 -0.53 0.00 0.00 54.79 53.02 1y18 n ASP 86 Cb 0.09 -0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1y18 n ASP 86 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1y18 s SER 87 N -2.34 6.49 -0.07 -2.24 0.01 0.05 -4.85 113.70 110.76 1y18 s SER 87 Ca 0.32 2.09 -0.31 0.00 1.31 0.00 0.00 55.95 59.36 1y18 s SER 87 Cb 0.20 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 64.02 1y18 s SER 87 CO 0.44 -1.10 1.37 0.00 0.41 0.00 0.00 173.24 174.36 1y18 s ALA 88 N 4.68 -2.55 -0.25 1.44 0.00 -0.01 -4.39 121.76 120.69 1y18 s ALA 88 Ca 0.76 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.03 1y18 s ALA 88 Cb -0.32 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1y18 s ALA 88 CO 0.31 -1.11 0.56 -1.17 0.00 0.00 0.00 175.76 174.34 1y18 s LEU 89 N -3.45 4.07 -0.30 0.00 0.20 -0.58 -1.32 118.68 117.31 1y18 s LEU 89 Ca 0.23 0.61 -0.13 0.00 0.69 0.00 0.00 54.13 55.54 1y18 s LEU 89 Cb 0.03 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 1y18 s LEU 89 CO -0.04 -0.30 0.27 -0.31 -0.29 0.00 0.00 176.35 175.67 1y18 s TYR 90 N 2.28 3.23 -0.10 5.38 1.51 -0.64 -0.81 117.35 128.20 1y18 s TYR 90 Ca 0.23 0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 1y18 s TYR 90 Cb -0.16 -2.48 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 1y18 s TYR 90 CO 0.09 -0.25 0.14 0.71 -1.11 0.00 0.00 175.55 175.13 1y18 s TYR 91 N 1.86 3.58 -0.26 2.71 2.02 0.40 -1.54 117.35 126.14 1y18 s TYR 91 Ca 0.09 0.49 -0.10 0.00 -0.37 0.00 0.00 57.07 57.19 1y18 s TYR 91 Cb -0.16 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1y18 s TYR 91 CO 0.11 0.72 0.15 0.00 -1.57 0.00 0.00 175.55 174.96 1y18 s VAL 93 N 1.47 1.08 -0.02 0.00 1.01 0.12 -1.08 120.40 122.98 1y18 s VAL 93 Ca 0.07 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1y18 s VAL 93 Cb -0.15 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1y18 s VAL 93 CO 0.07 0.30 0.61 -0.60 0.00 0.00 0.00 175.10 175.48 1y18 s ARG 94 N -0.33 4.34 -0.27 2.72 3.52 -0.29 0.31 118.95 128.94 1y18 s ARG 94 Ca 0.05 0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 56.34 1y18 s ARG 94 Cb -0.05 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1y18 s ARG 94 CO -0.01 0.30 0.03 -1.17 -0.81 0.00 0.00 175.30 173.64 1y18 s LEU 95 N 0.04 3.50 -0.30 -0.88 2.96 -0.62 -2.26 118.68 121.12 1y18 s LEU 95 Ca 0.32 -0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 1y18 s LEU 95 Cb -0.18 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1y18 s LEU 95 CO 0.17 -0.13 1.05 -0.62 -1.32 0.00 0.00 176.35 175.50 1y18 s ASP 96 N 1.47 6.94 -0.67 3.68 -1.08 0.88 -3.61 116.67 124.28 1y18 s ASP 96 Ca 0.03 1.08 0.00 0.00 -0.52 0.00 0.00 52.55 53.14 1y18 s ASP 96 Cb -0.16 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 38.93 1y18 s ASP 96 CO 0.00 -0.83 0.48 0.12 0.52 0.00 0.00 175.17 175.46 1y18 s PHE 97 N 3.54 3.48 -0.42 -5.34 2.19 -1.26 -1.67 117.98 118.50 1y18 s PHE 97 Ca 0.44 -2.98 -0.17 0.00 0.33 0.00 0.00 56.93 54.55 1y18 s PHE 97 Cb -0.13 -3.05 0.02 0.00 -1.31 0.00 0.00 43.02 38.55 1y18 s PHE 97 CO 0.14 -0.75 0.45 0.34 1.83 0.00 0.00 175.22 177.22 1y18 s ASP 98 N -0.05 6.20 0.00 6.13 2.15 -1.26 -4.92 116.67 124.92 1y18 s ASP 98 Ca 0.20 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.76 1y18 s ASP 98 Cb -0.16 -2.23 0.66 0.00 -0.30 0.00 0.00 42.92 40.89 1y18 s ASP 98 CO -0.07 -0.59 1.51 1.33 -0.17 0.00 0.00 175.17 177.18 1y18 n VAL 99 N 5.45 0.00 0.03 1.11 0.24 -1.26 -2.36 118.33 121.54 1y18 n VAL 99 Ca -0.07 -0.09 -0.22 0.00 -2.04 0.00 0.00 64.34 61.92 1y18 n VAL 99 Cb 0.47 0.36 -0.14 0.00 -1.47 0.00 0.00 33.84 33.06 1y18 n VAL 99 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1y18 h TYR 100 N 0.82 0.53 -0.24 6.34 0.05 -2.05 -3.34 116.97 119.07 1y18 h TYR 100 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1y18 h TYR 100 Cb 0.51 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1y18 h TYR 100 CO 0.00 1.59 0.00 0.09 -1.05 0.00 0.00 178.16 178.79 1y18 n ASN 100 N -3.83 3.08 -2.46 3.88 3.02 -1.26 -5.26 115.26 112.43 1y18 n ASN 100 Ca -0.25 -1.91 -0.02 0.00 -0.03 0.00 0.00 54.58 52.37 1y18 n ASN 100 Cb 0.95 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 1y18 n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1y18 n HIS 100 N 1.26 -4.08 0.00 3.10 8.25 -0.99 -5.11 115.22 117.64 1y18 n HIS 100 Ca 0.15 2.41 0.00 0.00 -0.26 0.00 0.00 57.72 60.02 1y18 n HIS 100 Cb 0.54 -3.49 0.00 0.00 1.12 0.00 0.00 29.99 28.16 1y18 n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1y18 n TYR 100 N 1.87 0.00 -4.65 4.41 4.01 -1.26 -5.04 117.16 116.50 1y18 n TYR 100 Ca -0.15 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.31 1y18 n TYR 100 Cb 0.23 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.12 1y18 n TYR 100 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1y18 s VAL 100 N 0.00 1.98 -1.15 -0.72 1.01 -0.67 -4.94 120.40 115.92 1y18 s VAL 100 Ca 0.00 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 1y18 s VAL 100 Cb 0.00 -1.73 0.14 0.00 0.00 0.00 0.00 36.38 34.80 1y18 s VAL 100 CO 0.00 0.21 1.40 -0.76 0.00 0.00 0.00 175.10 175.95 1y18 s LEU 100 N -1.48 4.84 0.00 3.92 1.43 -1.26 -0.09 118.68 126.05 1y18 s LEU 100 Ca 0.10 -2.64 0.00 0.00 -1.03 0.00 0.00 54.13 50.56 1y18 s LEU 100 Cb -0.10 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1y18 s LEU 100 CO 0.03 -0.90 0.18 0.47 0.23 0.00 0.00 176.35 176.36 1y18 n ASP 101 N 6.32 0.00 -4.84 2.29 9.92 -0.96 -4.81 116.55 124.46 1y18 n ASP 101 Ca 0.35 0.18 -0.37 0.00 -0.53 0.00 0.00 54.79 54.42 1y18 n ASP 101 Cb 0.45 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.87 1y18 n ASP 101 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1y18 s TYR 102 N -0.36 3.60 0.07 1.24 1.51 -1.26 -4.98 117.35 117.18 1y18 s TYR 102 Ca 0.00 0.62 0.08 0.00 -1.01 0.00 0.00 57.07 56.76 1y18 s TYR 102 Cb 0.00 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 1y18 s TYR 102 CO 0.00 0.64 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.29 1y18 s TRP 103 N -0.80 1.77 0.87 2.71 0.52 -1.26 -1.14 118.94 121.61 1y18 s TRP 103 Ca 0.17 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 1y18 s TRP 103 Cb -0.13 -1.02 0.16 0.00 -1.15 0.00 0.00 33.47 31.34 1y18 s TRP 103 CO 0.06 0.14 1.21 0.20 0.02 0.00 0.00 176.95 178.58 1y18 s GLY 104 N -1.49 1.75 0.00 0.98 0.00 -0.24 -4.82 107.32 103.50 1y18 s GLY 104 Ca 0.07 -1.24 0.23 0.00 0.00 0.00 0.00 44.72 43.77 1y18 s GLY 104 CO 0.03 -0.57 1.62 -1.06 0.00 0.00 0.00 173.10 173.11 1y18 n GLN 105 N -3.45 1.68 -0.10 2.90 6.02 -1.26 -4.71 117.38 118.46 1y18 n GLN 105 Ca 0.14 -1.01 0.01 0.00 -0.01 0.00 0.00 57.00 56.13 1y18 n GLN 105 Cb 0.60 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 30.44 1y18 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y18 n GLY 106 N 1.13 -2.37 3.02 1.08 0.00 -1.26 -4.98 105.19 101.81 1y18 n GLY 106 Ca 0.17 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1y18 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y18 s THR 107 N -2.65 1.30 0.25 2.61 -1.32 -0.59 -4.79 115.64 110.45 1y18 s THR 107 Ca 0.00 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.66 1y18 s THR 107 Cb 0.00 -1.21 -0.09 0.00 -1.51 0.00 0.00 72.50 69.69 1y18 s THR 107 CO 0.00 0.40 1.16 -0.55 -2.21 0.00 0.00 174.62 173.42 1y18 s SER 108 N 1.04 7.14 -0.13 8.08 0.15 -1.26 -1.62 113.70 127.09 1y18 s SER 108 Ca -0.06 2.30 -0.02 0.00 0.70 0.00 0.00 55.95 58.87 1y18 s SER 108 Cb -0.15 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.59 1y18 s SER 108 CO -0.02 -0.28 0.03 -0.69 1.20 0.00 0.00 173.24 173.48 1y18 s VAL 109 N -0.71 0.39 -0.15 4.45 1.01 -0.43 0.28 120.40 125.23 1y18 s VAL 109 Ca 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1y18 s VAL 109 Cb -0.33 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1y18 s VAL 109 CO 0.41 -0.00 -0.04 -0.89 0.00 0.00 0.00 175.10 174.58 1y18 s THR 110 N 1.94 3.88 -0.57 3.92 2.01 -0.83 -0.83 115.64 125.16 1y18 s THR 110 Ca 0.02 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 1y18 s THR 110 Cb -0.15 -2.69 0.14 0.00 0.01 0.00 0.00 72.50 69.81 1y18 s THR 110 CO -0.07 0.50 0.48 -0.69 -0.69 0.00 0.00 174.62 174.15 1y18 s VAL 111 N 0.28 4.74 0.11 3.82 1.01 -1.26 -1.28 120.40 127.82 1y18 s VAL 111 Ca -0.03 -1.90 -0.07 0.00 0.00 0.00 0.00 61.98 59.97 1y18 s VAL 111 Cb -0.14 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1y18 s VAL 111 CO 0.03 -0.86 0.18 -0.55 0.00 0.00 0.00 175.10 173.90 1y18 s SER 112 N 2.74 0.15 -0.02 3.32 0.15 -0.62 -4.43 113.70 114.99 1y18 s SER 112 Ca 0.08 -0.82 0.16 0.00 0.70 0.00 0.00 55.95 56.07 1y18 s SER 112 Cb -0.24 0.35 -0.20 0.00 -1.71 0.00 0.00 66.02 64.22 1y18 s SER 112 CO -0.01 -0.77 0.61 -1.54 1.20 0.00 0.00 173.24 172.73 1y18 n SER 113 N -0.10 0.63 -4.42 5.45 3.41 -1.26 -4.04 113.62 113.29 1y18 n SER 113 Ca -0.11 0.28 -0.30 0.00 -0.26 0.00 0.00 58.87 58.48 1y18 n SER 113 Cb 0.63 0.41 0.23 0.00 -0.26 0.00 0.00 64.21 65.21 1y18 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y18 n ALA 114 N -2.49 -3.20 -2.69 7.33 0.00 -1.26 -5.03 120.51 113.17 1y18 n ALA 114 Ca -0.16 -1.18 -0.30 0.00 0.00 0.00 0.00 53.44 51.81 1y18 n ALA 114 Cb 0.93 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1y18 n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1y18 s SER 115 N -2.23 5.04 0.18 0.00 1.04 -1.26 -5.03 113.70 111.44 1y18 s SER 115 Ca 0.65 -0.18 -0.31 0.00 0.48 0.00 0.00 55.95 56.58 1y18 s SER 115 Cb -0.21 -1.20 -0.10 0.00 0.10 0.00 0.00 66.02 64.61 1y18 s SER 115 CO 0.65 0.17 1.52 0.42 0.98 0.00 0.00 173.24 176.98 1y18 s THR 116 N -1.34 2.69 -0.13 2.02 -4.23 -1.26 -4.81 115.64 108.58 1y18 s THR 116 Ca 0.26 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1y18 s THR 116 Cb -0.12 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1y18 s THR 116 CO 0.19 0.05 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.43 1y18 s LYS 117 N 0.72 2.21 0.85 3.99 2.20 0.92 -4.94 119.74 125.70 1y18 s LYS 117 Ca 0.67 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.63 1y18 s LYS 117 Cb -0.43 -1.98 0.11 0.00 -1.51 0.00 0.00 37.83 34.02 1y18 s LYS 117 CO 0.34 -0.17 1.14 0.20 -0.36 0.00 0.00 175.35 176.51 1y18 s GLY 118 N 1.30 1.79 0.46 5.54 0.00 -1.26 -0.81 107.32 114.34 1y18 s GLY 118 Ca 0.00 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.32 1y18 s GLY 118 CO -0.07 0.96 0.66 2.56 0.00 0.00 0.00 173.10 177.22 1y18 s PRO 119 N -4.59 2.83 -0.18 2.90 0.04 -1.26 -4.42 135.00 130.33 1y18 s PRO 119 Ca 0.67 -0.81 -0.05 0.00 0.04 0.00 0.00 61.00 60.84 1y18 s PRO 119 Cb -0.22 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 1y18 s PRO 119 CO 0.55 -0.39 -0.00 -1.12 0.04 0.00 0.00 177.00 176.09 1y18 s SER 120 N -4.31 5.01 -0.38 6.66 0.01 0.23 -4.93 113.70 116.00 1y18 s SER 120 Ca 0.52 -0.10 -0.13 0.00 1.31 0.00 0.00 55.95 57.55 1y18 s SER 120 Cb -0.10 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1y18 s SER 120 CO 0.36 0.14 0.26 -0.69 0.41 0.00 0.00 173.24 173.72 1y18 s VAL 121 N 0.56 5.14 0.02 3.43 1.01 -1.26 -1.19 120.40 128.12 1y18 s VAL 121 Ca -0.01 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1y18 s VAL 121 Cb -0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1y18 s VAL 121 CO 0.02 -0.17 -0.05 -0.36 0.00 0.00 0.00 175.10 174.53 1y18 s PHE 122 N 1.68 2.91 0.05 5.22 0.08 0.25 -4.94 117.98 123.23 1y18 s PHE 122 Ca 0.05 -0.03 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 1y18 s PHE 122 Cb -0.18 -1.59 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 1y18 s PHE 122 CO 0.10 0.40 0.64 -1.25 -0.10 0.00 0.00 175.22 175.01 1y18 s PRO 123 N -1.61 4.35 -1.04 0.24 0.04 -1.26 0.15 135.00 135.88 1y18 s PRO 123 Ca 0.19 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.00 1y18 s PRO 123 Cb -0.11 -3.31 0.26 0.00 0.04 0.00 0.00 34.50 31.38 1y18 s PRO 123 CO 0.10 0.46 1.02 -0.51 0.04 0.00 0.00 177.00 178.10 1y18 s LEU 124 N -0.56 6.26 0.41 -3.56 1.43 0.34 -4.89 118.68 118.11 1y18 s LEU 124 Ca 0.32 -3.51 -0.25 0.00 -1.03 0.00 0.00 54.13 49.67 1y18 s LEU 124 Cb -0.20 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 1y18 s LEU 124 CO 0.20 -0.30 1.08 0.00 0.23 0.00 0.00 176.35 177.55 1y18 n ALA 125 N 2.80 0.44 -1.86 4.21 0.00 -1.26 -1.90 120.51 122.93 1y18 n ALA 125 Ca 0.22 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 1y18 n ALA 125 Cb 0.40 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1y18 n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1y18 s PRO 126 N -2.02 4.10 -0.14 0.00 0.02 -1.26 -4.84 135.00 130.87 1y18 s PRO 126 Ca 0.62 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.67 1y18 s PRO 126 Cb -0.56 -4.08 -0.05 0.00 0.02 0.00 0.00 34.50 29.84 1y18 s PRO 126 CO 0.57 -0.97 1.84 0.45 -0.33 0.00 0.00 177.00 178.57 1y18 s SER 127 N 4.04 6.22 0.59 2.53 0.15 -1.26 -4.49 113.70 121.48 1y18 s SER 127 Ca 0.80 2.01 0.29 0.00 0.70 0.00 0.00 55.95 59.76 1y18 s SER 127 Cb -0.37 -2.53 1.79 0.00 -1.71 0.00 0.00 66.02 63.21 1y18 s SER 127 CO 0.35 -1.33 2.23 0.77 1.20 0.00 0.00 173.24 176.45 1y18 h SER 128 N 11.53 0.00 -0.93 5.45 4.64 -1.94 -1.86 113.55 130.45 1y18 h SER 128 Ca -0.40 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.47 1y18 h SER 128 Cb 1.20 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.02 1y18 h SER 128 CO 0.97 0.00 0.57 2.29 -0.87 0.00 0.00 176.83 179.79 1y18 n LYS 129 N -3.84 2.52 -3.03 4.77 -0.00 -1.26 -4.78 118.16 112.54 1y18 n LYS 129 Ca -0.02 -2.95 -0.44 0.00 -0.00 0.00 0.00 58.31 54.90 1y18 n LYS 129 Cb 0.13 -2.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.00 1y18 n LYS 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1y18 n SER 130 N -0.91 5.44 -2.69 -5.58 7.64 -0.70 -4.83 113.62 111.99 1y18 n SER 130 Ca 0.55 -3.06 -0.37 0.00 1.01 0.00 0.00 58.87 57.01 1y18 n SER 130 Cb 1.59 -1.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1y18 n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1y18 n THR 133 N 3.44 3.55 -0.69 0.44 -2.24 -1.26 -4.03 114.28 113.48 1y18 n THR 133 Ca 0.31 -3.71 -0.21 0.00 -2.27 0.00 0.00 64.05 58.17 1y18 n THR 133 Cb 0.40 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 1y18 n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1y18 n SER 134 N -0.46 4.65 -0.18 3.42 7.64 -1.22 -3.75 113.62 123.71 1y18 n SER 134 Ca 0.55 -2.30 -0.02 0.00 1.01 0.00 0.00 58.87 58.11 1y18 n SER 134 Cb 0.39 -1.06 -0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1y18 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y18 n GLY 135 N 3.77 0.41 0.56 0.23 0.00 -1.26 -3.15 105.19 105.74 1y18 n GLY 135 Ca 0.42 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1y18 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 136 N -1.87 0.57 3.69 -0.02 0.00 -1.25 -5.05 105.19 101.26 1y18 n GLY 136 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1y18 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s THR 137 N -2.24 5.09 0.25 2.61 2.01 -1.19 0.36 115.64 122.54 1y18 s THR 137 Ca 0.00 1.12 0.08 0.00 0.31 0.00 0.00 61.69 63.20 1y18 s THR 137 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1y18 s THR 137 CO 0.00 0.21 0.07 0.00 -0.69 0.00 0.00 174.62 174.21 1y18 s ALA 138 N 1.33 3.33 -0.01 7.40 0.00 -1.10 -3.39 121.76 129.32 1y18 s ALA 138 Ca 0.28 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1y18 s ALA 138 Cb -0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 1y18 s ALA 138 CO 0.11 0.28 -0.09 0.00 0.00 0.00 0.00 175.76 176.06 1y18 s ALA 139 N -2.21 0.72 0.19 0.00 0.00 -1.26 -1.75 121.76 117.45 1y18 s ALA 139 Ca 0.32 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 1y18 s ALA 139 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1y18 s ALA 139 CO 0.22 0.17 0.31 -0.48 0.00 0.00 0.00 175.76 175.99 1y18 s LEU 140 N -0.19 0.81 0.00 0.00 0.05 -0.99 -4.06 118.68 114.30 1y18 s LEU 140 Ca 0.03 -0.97 0.00 0.00 0.05 0.00 0.00 54.13 53.24 1y18 s LEU 140 Cb -0.03 1.23 0.00 0.00 -2.05 0.00 0.00 46.19 45.33 1y18 s LEU 140 CO -0.00 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.45 1y18 n GLY 141 N -0.27 -0.98 3.12 -3.48 0.00 -0.80 -0.25 105.19 102.53 1y18 n GLY 141 Ca -0.04 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1y18 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 s LEU 143 N -0.45 4.51 -0.52 0.00 2.96 0.12 -0.94 118.68 124.36 1y18 s LEU 143 Ca 0.05 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 52.62 1y18 s LEU 143 Cb -0.06 -1.91 0.12 0.00 0.50 0.00 0.00 46.19 44.84 1y18 s LEU 143 CO -0.00 -0.37 0.47 -0.69 -1.32 0.00 0.00 176.35 174.44 1y18 s VAL 144 N 1.42 5.22 0.13 1.68 1.01 0.97 -0.58 120.40 130.24 1y18 s VAL 144 Ca -0.00 -1.39 0.09 0.00 0.00 0.00 0.00 61.98 60.68 1y18 s VAL 144 Cb -0.20 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1y18 s VAL 144 CO 0.03 -0.80 -0.16 -0.75 0.00 0.00 0.00 175.10 173.42 1y18 s LYS 145 N 1.61 1.85 -0.80 2.72 2.20 -0.33 -0.24 119.74 126.74 1y18 s LYS 145 Ca 0.03 -1.19 -0.01 0.00 -0.36 0.00 0.00 55.97 54.43 1y18 s LYS 145 Cb -0.29 -2.13 -0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1y18 s LYS 145 CO 0.04 0.47 0.68 -0.25 -0.36 0.00 0.00 175.35 175.93 1y18 n ASP 146 N 0.64 -6.72 -4.30 1.43 8.00 -0.37 -0.60 116.55 114.64 1y18 n ASP 146 Ca -0.14 -0.42 -0.16 0.00 0.71 0.00 0.00 54.79 54.77 1y18 n ASP 146 Cb 0.53 -4.08 -0.10 0.00 -0.02 0.00 0.00 41.12 37.45 1y18 n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1y18 s TYR 147 N -3.04 1.45 -0.28 1.24 1.13 -0.64 -4.15 117.35 113.07 1y18 s TYR 147 Ca 0.04 -0.85 -0.22 0.00 -1.41 0.00 0.00 57.07 54.64 1y18 s TYR 147 Cb -0.01 -0.80 0.10 0.00 -1.10 0.00 0.00 41.96 40.15 1y18 s TYR 147 CO 0.80 0.02 0.86 0.12 -2.51 0.00 0.00 175.55 174.84 1y18 s PHE 148 N -3.37 -0.70 0.09 -3.49 5.36 0.01 -0.55 117.98 115.33 1y18 s PHE 148 Ca 0.24 1.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.80 1y18 s PHE 148 Cb 0.04 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.12 1y18 s PHE 148 CO 0.05 -0.34 0.12 -0.35 -1.46 0.00 0.00 175.22 173.24 1y18 n PRO 149 N 3.00 0.90 -1.22 10.12 -0.04 -1.26 -0.05 135.00 146.44 1y18 n PRO 149 Ca -0.15 -0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 62.53 1y18 n PRO 149 Cb 0.56 -0.04 0.11 0.00 -0.04 0.00 0.00 33.50 34.09 1y18 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y18 s GLU 150 N -2.43 1.97 0.40 0.54 0.41 -1.26 -4.75 118.70 113.58 1y18 s GLU 150 Ca 0.09 1.44 0.08 0.00 -0.41 0.00 0.00 54.97 56.17 1y18 s GLU 150 Cb -0.01 -1.84 -0.07 0.00 -1.78 0.00 0.00 34.13 30.43 1y18 s GLU 150 CO 0.06 -1.90 0.03 -1.25 -0.49 0.00 0.00 175.26 171.70 1y18 s PRO 151 N -4.48 2.00 0.10 0.39 0.04 -1.26 -4.90 135.00 126.89 1y18 s PRO 151 Ca 0.66 -2.02 0.10 0.00 0.04 0.00 0.00 61.00 59.79 1y18 s PRO 151 Cb -0.22 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1y18 s PRO 151 CO 0.52 -0.02 -0.24 0.54 0.04 0.00 0.00 177.00 177.83 1y18 s VAL 152 N -2.66 2.40 -0.07 -0.36 0.11 -1.26 -4.51 120.40 114.05 1y18 s VAL 152 Ca 0.36 -1.60 0.05 0.00 -2.93 0.00 0.00 61.98 57.86 1y18 s VAL 152 Cb 0.07 -2.05 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 1y18 s VAL 152 CO 0.19 0.16 -0.22 0.42 -3.33 0.00 0.00 175.10 172.32 1y18 s THR 153 N -1.02 2.33 -0.04 5.04 -4.23 -0.03 -4.95 115.64 112.73 1y18 s THR 153 Ca 0.14 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1y18 s THR 153 Cb -0.10 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.87 1y18 s THR 153 CO 0.06 0.57 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.92 1y18 s VAL 154 N -0.18 0.93 0.19 2.29 1.01 -1.26 -0.84 120.40 122.55 1y18 s VAL 154 Ca -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1y18 s VAL 154 Cb -0.14 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1y18 s VAL 154 CO 0.03 0.30 0.03 -0.94 0.00 0.00 0.00 175.10 174.52 1y18 s SER 156 N 0.47 1.18 -0.09 3.32 1.04 -0.50 -4.94 113.70 114.20 1y18 s SER 156 Ca -0.09 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.15 1y18 s SER 156 Cb -0.13 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 1y18 s SER 156 CO 0.02 -0.61 -0.23 0.26 0.98 0.00 0.00 173.24 173.65 1y18 s TRP 157 N -3.69 2.55 -1.30 5.02 0.52 -1.26 0.15 118.94 120.92 1y18 s TRP 157 Ca 0.28 -0.88 -0.02 0.00 0.02 0.00 0.00 56.10 55.50 1y18 s TRP 157 Cb 0.06 -1.68 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1y18 s TRP 157 CO 0.07 -0.32 0.65 0.09 0.02 0.00 0.00 176.95 177.46 1y18 n ASN 162 N 3.30 -1.54 -2.35 2.95 3.02 0.18 -1.39 115.26 119.42 1y18 n ASN 162 Ca -0.18 -0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 53.39 1y18 n ASN 162 Cb 0.53 -3.80 -0.01 0.00 -0.61 0.00 0.00 39.78 35.89 1y18 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1y18 n SER 163 N -3.01 -3.19 0.00 6.41 7.64 -1.26 -0.57 113.62 119.64 1y18 n SER 163 Ca -0.28 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1y18 n SER 163 Cb 0.67 -2.78 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 1y18 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y18 n GLY 164 N -0.69 2.47 0.36 0.23 0.00 -0.48 -4.94 105.19 102.15 1y18 n GLY 164 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1y18 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 h ALA 165 N 0.00 1.52 -2.89 4.61 0.00 -0.75 -3.39 119.26 118.36 1y18 h ALA 165 Ca 0.00 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1y18 h ALA 165 Cb 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 17.79 17.31 1y18 h ALA 165 CO 0.00 0.37 -0.56 -1.17 0.00 0.00 0.00 179.25 177.89 1y18 s LEU 166 N -9.93 3.92 0.00 0.00 2.96 -0.96 -4.87 118.68 109.80 1y18 s LEU 166 Ca -0.11 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1y18 s LEU 166 Cb 0.19 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1y18 s LEU 166 CO 0.79 -0.12 0.00 0.35 -1.32 0.00 0.00 176.35 176.06 1y18 n THR 167 N 4.99 0.00 -2.72 3.68 -2.24 -1.26 -4.04 114.28 112.70 1y18 n THR 167 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1y18 n THR 167 Cb 0.51 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1y18 n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1y18 s SER 168 N -0.56 7.20 0.00 3.42 0.15 -1.26 -3.12 113.70 119.53 1y18 s SER 168 Ca 0.00 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1y18 s SER 168 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1y18 s SER 168 CO 0.00 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1y18 n GLY 169 N 3.15 0.73 3.74 9.45 0.00 -1.26 -4.80 105.19 116.19 1y18 n GLY 169 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1y18 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y18 s VAL 171 N -2.82 4.76 -0.23 1.61 1.01 -1.18 -2.68 120.40 120.87 1y18 s VAL 171 Ca 0.00 1.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1y18 s VAL 171 Cb 0.00 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1y18 s VAL 171 CO 0.00 0.33 0.03 -1.00 0.00 0.00 0.00 175.10 174.46 1y18 s HIS 172 N 0.14 1.40 -0.39 5.22 3.76 0.94 -4.98 115.29 121.37 1y18 s HIS 172 Ca 0.40 -1.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.02 1y18 s HIS 172 Cb -0.20 -1.27 0.05 0.00 1.11 0.00 0.00 32.58 32.27 1y18 s HIS 172 CO 0.23 -0.70 0.22 0.99 -0.85 0.00 0.00 174.74 174.64 1y18 s THR 173 N 1.73 4.36 0.66 1.30 2.01 -1.26 -0.96 115.64 123.49 1y18 s THR 173 Ca 0.01 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.74 1y18 s THR 173 Cb -0.17 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1y18 s THR 173 CO -0.12 -0.35 1.13 -0.36 -0.69 0.00 0.00 174.62 174.23 1y18 s PHE 174 N 1.49 2.53 0.40 4.92 0.08 -0.68 -4.98 117.98 121.74 1y18 s PHE 174 Ca 0.02 1.56 -0.26 0.00 0.12 0.00 0.00 56.93 58.37 1y18 s PHE 174 Cb -0.21 -3.22 -0.08 0.00 -0.57 0.00 0.00 43.02 38.93 1y18 s PHE 174 CO 0.04 -1.83 1.23 -1.25 -0.10 0.00 0.00 175.22 173.32 1y18 s PRO 175 N -4.02 4.00 0.60 0.24 0.04 -1.26 -4.58 135.00 130.02 1y18 s PRO 175 Ca 0.68 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.53 1y18 s PRO 175 Cb -0.22 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1y18 s PRO 175 CO 0.41 -0.41 1.28 0.00 0.04 0.00 0.00 177.00 178.32 1y18 s ALA 176 N -1.33 2.57 0.07 8.56 0.00 -1.26 -4.85 121.76 125.51 1y18 s ALA 176 Ca 0.57 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.79 1y18 s ALA 176 Cb -0.34 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1y18 s ALA 176 CO 0.44 -1.38 -0.20 0.14 0.00 0.00 0.00 175.76 174.76 1y18 s VAL 177 N -1.43 2.68 -0.40 0.00 -7.23 0.47 -4.92 120.40 109.58 1y18 s VAL 177 Ca 0.77 -1.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 1y18 s VAL 177 Cb -0.36 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.44 1y18 s VAL 177 CO 0.40 0.26 0.64 -0.22 -0.31 0.00 0.00 175.10 175.87 1y18 s LEU 178 N -1.64 4.37 0.63 1.32 2.96 -1.26 -1.93 118.68 123.13 1y18 s LEU 178 Ca 0.15 -0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.83 1y18 s LEU 178 Cb -0.10 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 1y18 s LEU 178 CO 0.06 -0.70 1.04 -1.10 -1.32 0.00 0.00 176.35 174.34 1y18 s GLN 179 N 2.79 3.31 0.39 1.98 -0.21 -0.10 -4.92 119.66 122.89 1y18 s GLN 179 Ca 0.24 0.95 0.13 0.00 0.02 0.00 0.00 55.36 56.70 1y18 s GLN 179 Cb -0.14 -2.04 0.95 0.00 1.00 0.00 0.00 33.01 32.78 1y18 s GLN 179 CO 0.17 -0.80 1.87 0.66 -2.12 0.00 0.00 175.29 175.07 1y18 h SER 180 N -0.17 0.52 0.00 5.90 4.64 -1.97 0.29 113.55 122.76 1y18 h SER 180 Ca -0.45 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1y18 h SER 180 Cb 1.20 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1y18 h SER 180 CO 0.59 0.24 0.00 -1.54 -0.87 0.00 0.00 176.83 175.26 1y18 n SER 182 N -4.54 0.00 0.00 4.97 3.41 -1.26 -4.76 113.62 111.44 1y18 n SER 182 Ca 0.18 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1y18 n SER 182 Cb 0.56 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1y18 n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y18 n GLY 183 N -1.38 0.81 3.81 5.00 0.00 0.10 -5.02 105.19 108.51 1y18 n GLY 183 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1y18 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y18 s LEU 184 N 0.00 3.94 0.45 0.99 1.43 -1.25 -4.87 118.68 119.38 1y18 s LEU 184 Ca 0.00 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1y18 s LEU 184 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1y18 s LEU 184 CO 0.00 0.18 0.75 -0.31 0.23 0.00 0.00 176.35 177.19 1y18 s TYR 185 N -1.40 3.55 -0.12 0.29 2.02 0.28 -0.93 117.35 121.04 1y18 s TYR 185 Ca 0.30 0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 57.46 1y18 s TYR 185 Cb -0.12 -2.24 0.07 0.00 -0.40 0.00 0.00 41.96 39.27 1y18 s TYR 185 CO 0.23 -0.20 0.72 0.45 -1.57 0.00 0.00 175.55 175.18 1y18 s SER 186 N -4.03 -0.66 0.20 2.29 0.15 -0.81 -1.24 113.70 109.59 1y18 s SER 186 Ca 0.46 0.91 -0.20 0.00 0.70 0.00 0.00 55.95 57.82 1y18 s SER 186 Cb -0.10 0.79 0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1y18 s SER 186 CO 0.43 -0.48 0.58 -1.48 1.20 0.00 0.00 173.24 173.49 1y18 s LEU 187 N -0.71 -0.18 0.18 3.45 0.05 0.66 -0.39 118.68 121.74 1y18 s LEU 187 Ca -0.07 -0.36 0.09 0.00 0.05 0.00 0.00 54.13 53.85 1y18 s LEU 187 Cb -0.02 2.39 -0.04 0.00 -2.05 0.00 0.00 46.19 46.47 1y18 s LEU 187 CO 0.07 -1.08 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.15 1y18 s SER 188 N -2.84 2.88 -0.08 1.48 0.01 -1.26 -0.02 113.70 113.86 1y18 s SER 188 Ca 0.07 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1y18 s SER 188 Cb -0.02 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1y18 s SER 188 CO -0.04 -0.01 0.06 -0.55 0.41 0.00 0.00 173.24 173.11 1y18 s SER 189 N -2.77 1.54 0.36 2.44 0.15 -0.11 -1.69 113.70 113.61 1y18 s SER 189 Ca 0.18 -0.13 0.09 0.00 0.70 0.00 0.00 55.95 56.78 1y18 s SER 189 Cb -0.06 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.98 1y18 s SER 189 CO 0.08 -0.27 0.01 0.68 1.20 0.00 0.00 173.24 174.93 1y18 s VAL 190 N 2.13 2.41 -0.29 4.45 -7.23 -0.13 -0.01 120.40 121.73 1y18 s VAL 190 Ca 0.04 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 1y18 s VAL 190 Cb -0.13 -2.81 0.10 0.00 0.56 0.00 0.00 36.38 34.10 1y18 s VAL 190 CO -0.05 -0.15 0.66 0.54 -0.31 0.00 0.00 175.10 175.79 1y18 s VAL 191 N -2.58 -0.50 -0.02 1.32 0.11 0.65 -0.04 120.40 119.35 1y18 s VAL 191 Ca 0.35 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.25 1y18 s VAL 191 Cb 0.02 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1y18 s VAL 191 CO 0.19 0.00 0.42 0.42 -3.33 0.00 0.00 175.10 172.80 1y18 s THR 192 N 2.27 5.05 -0.11 5.04 -4.23 -1.09 -2.33 115.64 120.23 1y18 s THR 192 Ca -0.08 0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 1y18 s THR 192 Cb -0.09 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1y18 s THR 192 CO -0.19 0.54 0.27 0.68 -0.54 0.00 0.00 174.62 175.38 1y18 s VAL 193 N -0.81 -0.03 0.01 2.29 -7.23 -0.72 -4.74 120.40 109.18 1y18 s VAL 193 Ca 0.24 0.10 -0.39 0.00 -1.81 0.00 0.00 61.98 60.12 1y18 s VAL 193 Cb -0.16 -0.40 -0.20 0.00 0.56 0.00 0.00 36.38 36.18 1y18 s VAL 193 CO 0.13 0.04 1.09 -0.81 -0.31 0.00 0.00 175.10 175.24 1y18 n PRO 194 N 3.89 0.12 0.25 4.82 -0.04 -1.26 -2.71 135.00 140.07 1y18 n PRO 194 Ca -0.22 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1y18 n PRO 194 Cb 0.55 -1.55 0.67 0.00 -0.04 0.00 0.00 33.50 33.12 1y18 n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1y18 h SER 195 N 3.12 0.00 0.41 3.54 4.64 -0.40 -1.90 113.55 122.95 1y18 h SER 195 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1y18 h SER 195 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1y18 h SER 195 CO 0.66 0.14 0.00 0.77 -0.87 0.00 0.00 176.83 177.53 1y18 h SER 196 N 0.00 0.00 0.03 4.97 4.64 -1.86 -0.79 113.55 120.54 1y18 h SER 196 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y18 h SER 196 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1y18 h SER 196 CO 0.02 0.00 -0.63 -1.54 -0.87 0.00 0.00 176.83 173.81 1y18 n SER 197 N -2.91 1.56 -0.37 4.97 3.41 -0.72 -4.49 113.62 115.07 1y18 n SER 197 Ca -0.01 -1.25 0.32 0.00 -0.26 0.00 0.00 58.87 57.67 1y18 n SER 197 Cb 0.16 0.61 0.66 0.00 -0.26 0.00 0.00 64.21 65.38 1y18 n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1y18 h LEU 198 N 1.46 0.19 0.03 1.04 3.38 -1.14 -2.21 115.31 118.06 1y18 h LEU 198 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y18 h LEU 198 Cb 0.64 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1y18 h LEU 198 CO 0.00 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.75 1y18 h GLY 199 N 0.15 -0.04 0.04 0.83 0.00 -1.79 -3.33 103.07 98.93 1y18 h GLY 199 Ca 0.64 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1y18 h GLY 199 CO -0.17 -0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.05 1y18 n THR 200 N -4.72 0.00 -4.04 4.70 -2.24 -0.85 -4.83 114.28 102.30 1y18 n THR 200 Ca -0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1y18 n THR 200 Cb 0.34 -0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 1y18 n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1y18 s GLN 203 N -2.00 0.47 -0.05 -0.78 -1.52 -1.09 -5.12 119.66 109.57 1y18 s GLN 203 Ca 0.01 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 52.65 1y18 s GLN 203 Cb 0.00 -0.13 -0.04 0.00 -0.22 0.00 0.00 33.01 32.63 1y18 s GLN 203 CO 0.01 0.01 0.06 0.99 -0.25 0.00 0.00 175.29 176.11 1y18 s THR 205 N -1.60 4.72 -0.14 -0.19 2.01 -1.26 -4.94 115.64 114.24 1y18 s THR 205 Ca -0.10 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 1y18 s THR 205 Cb -0.09 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.38 1y18 s THR 205 CO -0.01 0.48 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.09 1y18 s TYR 206 N -1.06 1.09 -0.06 4.92 2.02 -1.26 -4.99 117.35 118.00 1y18 s TYR 206 Ca 0.18 -0.65 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 1y18 s TYR 206 Cb -0.12 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1y18 s TYR 206 CO 0.08 -0.50 -0.13 0.42 -1.57 0.00 0.00 175.55 173.84 1y18 s ILE 207 N 1.84 1.22 -0.16 2.71 1.01 -1.26 -1.21 121.20 125.34 1y18 s ILE 207 Ca 0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1y18 s ILE 207 Cb -0.15 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1y18 s ILE 207 CO -0.07 0.37 0.09 0.00 0.00 0.00 0.00 174.94 175.33 1y18 s ASN 209 N -0.11 5.59 -0.08 0.00 -0.87 0.39 -1.90 114.94 117.96 1y18 s ASN 209 Ca 0.08 -1.31 -0.11 0.00 -1.57 0.00 0.00 52.86 49.95 1y18 s ASN 209 Cb -0.12 -1.97 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 1y18 s ASN 209 CO 0.01 -0.46 0.27 -0.69 -2.57 0.00 0.00 177.10 173.66 1y18 s VAL 210 N 1.45 5.29 -0.02 1.60 1.01 0.14 -1.41 120.40 128.46 1y18 s VAL 210 Ca 0.02 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1y18 s VAL 210 Cb -0.21 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1y18 s VAL 210 CO 0.03 0.56 -0.01 0.21 0.00 0.00 0.00 175.10 175.89 1y18 s ASN 211 N -0.73 0.45 -0.41 3.32 2.47 -0.02 -0.79 114.94 119.22 1y18 s ASN 211 Ca 0.18 -0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.44 1y18 s ASN 211 Cb -0.14 -0.19 0.15 0.00 -1.45 0.00 0.00 41.25 39.62 1y18 s ASN 211 CO 0.07 -0.06 0.28 -2.28 -3.72 0.00 0.00 177.10 171.40 1y18 s HIS 212 N 0.71 1.26 0.21 0.43 5.65 -0.05 -0.85 115.29 122.65 1y18 s HIS 212 Ca -0.07 -2.14 -0.13 0.00 0.25 0.00 0.00 55.06 52.96 1y18 s HIS 212 Cb -0.10 -1.20 0.23 0.00 -1.18 0.00 0.00 32.58 30.33 1y18 s HIS 212 CO -0.01 -0.80 1.63 0.87 -0.65 0.00 0.00 174.74 175.78 1y18 h LYS 213 N 6.34 0.01 -1.04 2.88 1.79 -1.79 -1.48 116.57 123.28 1y18 h LYS 213 Ca 0.13 -0.00 0.35 0.00 -2.18 0.00 0.00 60.65 58.95 1y18 h LYS 213 Cb 0.93 -0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.42 1y18 h LYS 213 CO 0.37 0.01 0.61 -1.35 -1.08 0.00 0.00 179.45 178.00 1y18 h PRO 214 N 0.01 0.23 -0.44 3.15 0.11 -1.91 0.62 132.00 133.77 1y18 h PRO 214 Ca 0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1y18 h PRO 214 Cb 0.46 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1y18 h PRO 214 CO -0.62 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 176.19 1y18 n SER 215 N -5.02 3.37 -4.05 -2.05 3.41 -0.88 -4.93 113.62 103.46 1y18 n SER 215 Ca 0.33 -2.14 -0.33 0.00 -0.26 0.00 0.00 58.87 56.47 1y18 n SER 215 Cb 1.09 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1y18 n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y18 n ASN 216 N 0.67 -4.10 -4.87 4.04 4.13 0.22 -4.87 115.26 110.47 1y18 n ASN 216 Ca 0.16 -0.88 -0.36 0.00 1.68 0.00 0.00 54.58 55.18 1y18 n ASN 216 Cb 0.55 -3.31 -0.06 0.00 -1.54 0.00 0.00 39.78 35.42 1y18 n ASN 216 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1y18 s THR 217 N -3.27 5.44 -0.11 3.41 2.01 -0.66 -4.98 115.64 117.47 1y18 s THR 217 Ca 0.70 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 1y18 s THR 217 Cb -0.37 -3.38 0.06 0.00 0.01 0.00 0.00 72.50 68.81 1y18 s THR 217 CO 0.86 0.58 0.17 -0.54 -0.69 0.00 0.00 174.62 175.01 1y18 s LYS 218 N -1.13 0.07 -0.02 4.92 1.02 -1.26 -0.87 119.74 122.46 1y18 s LYS 218 Ca 0.16 0.46 0.04 0.00 0.02 0.00 0.00 55.97 56.65 1y18 s LYS 218 Cb -0.12 -0.53 -0.00 0.00 -0.52 0.00 0.00 37.83 36.65 1y18 s LYS 218 CO 0.06 -0.39 -0.13 0.08 -0.92 0.00 0.00 175.35 174.04 1y18 s VAL 219 N 2.29 1.06 -0.32 3.17 1.01 0.02 -5.00 120.40 122.64 1y18 s VAL 219 Ca 0.04 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1y18 s VAL 219 Cb -0.13 -0.91 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1y18 s VAL 219 CO -0.07 0.31 0.05 -1.81 0.00 0.00 0.00 175.10 173.58 1y18 s ASP 220 N -0.08 4.42 -0.20 3.32 1.01 -1.26 0.27 116.67 124.15 1y18 s ASP 220 Ca 0.01 -1.86 -0.10 0.00 0.71 0.00 0.00 52.55 51.31 1y18 s ASP 220 Cb -0.08 -1.33 -0.05 0.00 1.01 0.00 0.00 42.92 42.48 1y18 s ASP 220 CO 0.00 -0.37 0.12 -0.75 0.21 0.00 0.00 175.17 174.38 1y18 s LYS 221 N 1.19 4.15 -0.34 8.23 2.47 -0.80 -4.92 119.74 129.73 1y18 s LYS 221 Ca 0.08 -0.24 -0.18 0.00 -1.56 0.00 0.00 55.97 54.08 1y18 s LYS 221 Cb -0.18 -3.39 -0.01 0.00 -1.46 0.00 0.00 37.83 32.79 1y18 s LYS 221 CO -0.13 0.30 0.50 0.21 0.16 0.00 0.00 175.35 176.39 1y18 s LYS 222 N 0.34 3.67 -0.27 4.03 2.20 -1.26 -1.42 119.74 127.04 1y18 s LYS 222 Ca 0.07 -0.13 -0.20 0.00 -0.36 0.00 0.00 55.97 55.35 1y18 s LYS 222 Cb -0.11 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1y18 s LYS 222 CO -0.02 -0.60 0.61 0.08 -0.36 0.00 0.00 175.35 175.06 1y18 s VAL 223 N 2.35 4.99 0.26 4.02 1.01 -0.35 -5.00 120.40 127.68 1y18 s VAL 223 Ca 0.18 1.03 0.11 0.00 0.00 0.00 0.00 61.98 63.30 1y18 s VAL 223 Cb -0.16 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1y18 s VAL 223 CO 0.13 0.01 -0.19 -1.61 0.00 0.00 0.00 175.10 173.43 1y18 s GLU 226 N 2.49 1.61 0.05 2.72 2.02 -1.26 -4.45 118.70 121.87 1y18 s GLU 226 Ca 0.25 -1.72 -0.31 0.00 0.02 0.00 0.00 54.97 53.21 1y18 s GLU 226 Cb -0.15 -1.66 -0.07 0.00 0.10 0.00 0.00 34.13 32.34 1y18 s GLU 226 CO 0.09 0.31 1.47 -2.14 0.02 0.00 0.00 175.26 175.01 1y18 s PRO 227 N -3.48 4.27 0.25 0.39 0.02 -1.26 -4.31 135.00 130.88 1y18 s PRO 227 Ca 0.28 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 63.09 1y18 s PRO 227 Cb -0.04 -3.49 -0.13 0.00 0.02 0.00 0.00 34.50 30.85 1y18 s PRO 227 CO 0.13 -0.59 1.44 1.17 -0.33 0.00 0.00 177.00 178.83 1y18 n LYS 228 N 5.06 2.17 -1.82 5.54 4.81 -1.26 -4.95 118.16 127.71 1y18 n LYS 228 Ca 0.13 0.77 -0.31 0.00 -0.87 0.00 0.00 58.31 58.03 1y18 n LYS 228 Cb 0.42 -2.45 0.02 0.00 0.02 0.00 0.00 35.03 33.05 1y18 n LYS 228 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1y18 s SER 232 N 0.31 5.83 0.00 3.14 0.15 -1.26 -5.00 113.70 116.87 1y18 s SER 232 Ca 0.67 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1y18 s SER 232 Cb -0.62 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.20 1y18 s SER 232 CO 0.50 -1.14 0.38 0.00 1.20 0.00 0.00 173.24 174.18