#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 0.94 -3.71 6.31 0.31 -1.26 -4.08 118.33 116.84 1y18 n VAL 2 Ca 0.00 -0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 1y18 n VAL 2 Cb 0.00 -1.39 -0.14 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.41 0.15 -0.17 5.55 1.02 0.10 -4.95 119.74 121.03 1y18 s LYS 3 Ca 0.69 0.55 0.00 0.00 0.02 0.00 0.00 55.97 57.23 1y18 s LYS 3 Cb -0.68 -0.14 0.03 0.00 -0.52 0.00 0.00 37.83 36.53 1y18 s LYS 3 CO 0.50 -0.21 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.10 1y18 s LEU 4 N 1.61 1.96 -0.22 3.17 1.43 -1.26 -1.49 118.68 123.88 1y18 s LEU 4 Ca -0.06 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1y18 s LEU 4 Cb -0.11 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 44.99 1y18 s LEU 4 CO -0.08 -0.12 -0.08 -0.22 0.23 0.00 0.00 176.35 176.08 1y18 s LEU 5 N 1.47 2.46 0.50 1.79 2.96 -0.44 -4.30 118.68 123.12 1y18 s LEU 5 Ca 0.01 -1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 52.84 1y18 s LEU 5 Cb -0.15 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1y18 s LEU 5 CO -0.09 -0.18 0.81 -1.61 -1.32 0.00 0.00 176.35 173.96 1y18 s GLU 6 N 1.38 3.43 0.13 1.98 8.01 -1.26 -0.96 118.70 131.40 1y18 s GLU 6 Ca -0.03 0.17 -0.24 0.00 0.01 0.00 0.00 54.97 54.87 1y18 s GLU 6 Cb -0.17 -2.35 0.07 0.00 -4.31 0.00 0.00 34.13 27.36 1y18 s GLU 6 CO -0.07 -0.30 0.72 -1.54 0.01 0.00 0.00 175.26 174.08 1y18 s SER 7 N -4.14 -0.45 0.00 -0.19 1.04 -0.07 -4.83 113.70 105.06 1y18 s SER 7 Ca 0.49 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1y18 s SER 7 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1y18 s SER 7 CO 0.45 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1y18 n GLY 8 N -0.36 0.78 3.48 7.32 0.00 -1.26 -0.73 105.19 114.41 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 -1.93 1.51 0.00 -0.02 0.00 -1.26 -4.80 107.32 100.83 1y18 s GLY 9 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1y18 s GLY 9 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.85 1y18 n GLY 10 N 0.14 1.01 3.73 0.20 0.00 0.14 -4.95 105.19 105.46 1y18 n GLY 10 Ca 0.11 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 4.51 0.18 0.99 2.96 -1.26 -1.65 118.68 124.41 1y18 s LEU 11 Ca 0.00 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 55.78 1y18 s LEU 11 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1y18 s LEU 11 CO 0.00 -0.06 -0.02 0.00 -1.32 0.00 0.00 176.35 174.95 1y18 s ALA 12 N -0.14 1.46 -0.14 5.97 0.00 0.91 -4.93 121.76 124.90 1y18 s ALA 12 Ca 0.47 -1.61 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1y18 s ALA 12 Cb -0.24 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1y18 s ALA 12 CO 0.31 -0.27 0.15 -1.14 0.00 0.00 0.00 175.76 174.81 1y18 s GLN 13 N -3.88 3.69 0.38 0.00 2.00 -1.26 -1.66 119.66 118.94 1y18 s GLN 13 Ca 0.23 -0.14 -0.26 0.00 -2.00 0.00 0.00 55.36 53.20 1y18 s GLN 13 Cb 0.05 -3.26 -0.11 0.00 0.80 0.00 0.00 33.01 30.49 1y18 s GLN 13 CO 0.04 0.63 1.08 -0.35 -0.50 0.00 0.00 175.29 176.19 1y18 n PRO 14 N 2.46 1.53 0.00 1.67 -0.04 -1.26 -0.66 135.00 138.69 1y18 n PRO 14 Ca -0.18 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1y18 n PRO 14 Cb 0.54 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 1.09 2.43 0.82 0.55 0.00 0.19 -4.90 105.19 105.37 1y18 n GLY 15 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.55 3.31 -0.02 0.00 0.17 -3.99 105.19 102.11 1y18 n GLY 16 Ca 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1y18 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y18 s SER 17 N -1.98 1.92 -0.18 1.61 1.04 -1.26 -1.54 113.70 113.31 1y18 s SER 17 Ca 0.15 -1.14 -0.24 0.00 0.48 0.00 0.00 55.95 55.20 1y18 s SER 17 Cb -0.01 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.16 1y18 s SER 17 CO 0.11 -0.43 0.63 -0.22 0.98 0.00 0.00 173.24 174.31 1y18 s LEU 18 N -3.27 -0.42 -0.21 2.42 2.96 -0.26 -4.96 118.68 114.92 1y18 s LEU 18 Ca 0.25 1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1y18 s LEU 18 Cb 0.04 2.23 0.01 0.00 0.50 0.00 0.00 46.19 48.98 1y18 s LEU 18 CO 0.06 -0.33 -0.11 -0.75 -1.32 0.00 0.00 176.35 173.90 1y18 s LYS 19 N -0.14 3.03 0.11 1.98 2.20 -1.26 0.96 119.74 126.63 1y18 s LYS 19 Ca -0.04 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1y18 s LYS 19 Cb -0.03 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1y18 s LYS 19 CO 0.03 -0.27 0.29 -0.51 -0.36 0.00 0.00 175.35 174.53 1y18 s LEU 20 N 1.35 4.32 0.15 5.43 1.43 0.59 -4.68 118.68 127.26 1y18 s LEU 20 Ca 0.03 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1y18 s LEU 20 Cb -0.15 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1y18 s LEU 20 CO -0.07 0.09 -0.11 -0.44 0.23 0.00 0.00 176.35 176.05 1y18 s SER 21 N -2.70 1.89 -0.05 2.29 0.01 0.09 -1.38 113.70 113.86 1y18 s SER 21 Ca 0.37 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 1y18 s SER 21 Cb -0.12 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.11 1y18 s SER 21 CO 0.27 -0.29 0.09 0.00 0.41 0.00 0.00 173.24 173.73 1y18 s ALA 23 N 1.54 3.48 0.19 0.00 0.00 -0.14 -1.52 121.76 125.31 1y18 s ALA 23 Ca -0.04 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.29 1y18 s ALA 23 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1y18 s ALA 23 CO -0.04 0.22 -0.16 0.00 0.00 0.00 0.00 175.76 175.78 1y18 s ALA 24 N 0.23 2.78 0.02 0.00 0.00 -0.28 -1.32 121.76 123.19 1y18 s ALA 24 Ca 0.05 -1.55 -0.28 0.00 0.00 0.00 0.00 51.96 50.18 1y18 s ALA 24 Cb -0.12 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.53 1y18 s ALA 24 CO -0.00 0.45 0.84 -1.54 0.00 0.00 0.00 175.76 175.51 1y18 s SER 25 N -2.78 -0.40 0.00 0.00 1.04 -0.56 -4.84 113.70 106.16 1y18 s SER 25 Ca 0.23 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1y18 s SER 25 Cb -0.08 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1y18 s SER 25 CO 0.13 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1y18 n GLY 26 N -0.27 0.72 3.47 7.32 0.00 -1.26 0.03 105.19 115.20 1y18 n GLY 26 Ca -0.10 0.00 -0.11 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 -2.34 -0.45 -1.18 1.61 -0.71 -1.26 -3.97 117.98 109.67 1y18 s PHE 27 Ca 0.00 0.36 -0.23 0.00 -1.04 0.00 0.00 56.93 56.02 1y18 s PHE 27 Cb 0.00 0.53 -0.08 0.00 -1.21 0.00 0.00 43.02 42.26 1y18 s PHE 27 CO 0.00 -0.67 1.93 0.34 -1.34 0.00 0.00 175.22 175.48 1y18 s ASP 28 N -2.42 5.11 0.33 1.98 2.15 -1.26 -4.77 116.67 117.80 1y18 s ASP 28 Ca 0.02 -1.67 0.11 0.00 0.43 0.00 0.00 52.55 51.43 1y18 s ASP 28 Cb -0.01 -2.59 1.03 0.00 -0.30 0.00 0.00 42.92 41.05 1y18 s ASP 28 CO -0.09 -2.99 1.60 0.15 -0.17 0.00 0.00 175.17 173.68 1y18 h PHE 29 N 9.67 0.51 0.00 -5.34 3.57 -1.95 0.19 116.94 123.59 1y18 h PHE 29 Ca 0.22 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1y18 h PHE 29 Cb 0.94 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1y18 h PHE 29 CO 1.22 -0.37 0.07 -0.09 -2.23 0.00 0.00 178.31 176.91 1y18 h ARG 30 N 0.09 0.00 -0.44 1.11 2.43 -1.86 -2.37 114.38 113.34 1y18 h ARG 30 Ca 0.71 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.88 1y18 h ARG 30 Cb 1.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1y18 h ARG 30 CO -0.77 0.00 0.00 2.89 -1.51 0.00 0.00 179.97 180.58 1y18 n ARG 31 N -2.77 2.77 -4.35 0.20 1.85 0.66 -4.73 116.66 110.28 1y18 n ARG 31 Ca -0.02 -2.18 -0.29 0.00 -1.00 0.00 0.00 57.85 54.35 1y18 n ARG 31 Cb 0.13 -1.35 -0.12 0.00 -1.05 0.00 0.00 32.46 30.07 1y18 n ARG 31 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1y18 s TYR 32 N -1.01 2.42 0.35 2.89 2.02 -0.90 -4.91 117.35 118.21 1y18 s TYR 32 Ca 0.30 -0.32 -0.24 0.00 -0.37 0.00 0.00 57.07 56.43 1y18 s TYR 32 Cb 0.16 -1.30 -0.10 0.00 -0.40 0.00 0.00 41.96 40.32 1y18 s TYR 32 CO 0.20 0.36 0.94 -1.58 -1.57 0.00 0.00 175.55 173.90 1y18 s TRP 33 N -1.10 3.59 0.14 2.71 0.52 -1.23 -3.99 118.94 119.58 1y18 s TRP 33 Ca 0.16 1.72 0.11 0.00 0.02 0.00 0.00 56.10 58.11 1y18 s TRP 33 Cb -0.10 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.28 1y18 s TRP 33 CO 0.08 0.13 -0.26 -1.64 0.02 0.00 0.00 176.95 175.28 1y18 s MET 34 N -2.35 1.39 0.06 4.98 -1.94 -0.42 -1.47 119.30 119.54 1y18 s MET 34 Ca 0.53 -1.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1y18 s MET 34 Cb -0.16 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 34.83 1y18 s MET 34 CO 0.21 0.42 -0.08 0.99 -0.01 0.00 0.00 175.02 176.55 1y18 s THR 35 N -1.20 0.62 -0.10 2.05 2.01 0.14 -0.27 115.64 118.91 1y18 s THR 35 Ca 0.14 -1.32 0.04 0.00 0.31 0.00 0.00 61.69 60.86 1y18 s THR 35 Cb -0.10 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1y18 s THR 35 CO 0.06 -0.50 -0.24 0.26 -0.69 0.00 0.00 174.62 173.52 1y18 s TRP 36 N -1.95 2.53 -0.00 4.92 0.52 -0.61 0.04 118.94 124.39 1y18 s TRP 36 Ca -0.04 -1.04 0.02 0.00 0.02 0.00 0.00 56.10 55.07 1y18 s TRP 36 Cb -0.06 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1y18 s TRP 36 CO -0.01 -0.42 -0.07 0.08 0.02 0.00 0.00 176.95 176.55 1y18 s VAL 37 N 0.35 0.57 0.30 4.03 1.01 -0.43 -1.30 120.40 124.92 1y18 s VAL 37 Ca -0.19 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1y18 s VAL 37 Cb -0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 1y18 s VAL 37 CO 0.09 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.24 1y18 s ARG 38 N -0.23 1.63 -0.23 2.72 1.70 -0.50 0.15 118.95 124.20 1y18 s ARG 38 Ca 0.02 -1.82 -0.03 0.00 -0.47 0.00 0.00 55.73 53.43 1y18 s ARG 38 Cb -0.03 -1.36 0.10 0.00 -0.57 0.00 0.00 34.95 33.08 1y18 s ARG 38 CO -0.00 0.09 0.20 -1.14 -1.08 0.00 0.00 175.30 173.37 1y18 s GLN 39 N -3.67 0.20 0.70 3.89 0.74 0.07 -0.91 119.66 120.68 1y18 s GLN 39 Ca 0.30 -0.03 -0.11 0.00 0.05 0.00 0.00 55.36 55.57 1y18 s GLN 39 Cb 0.03 -1.19 0.01 0.00 1.10 0.00 0.00 33.01 32.95 1y18 s GLN 39 CO 0.13 -0.79 1.07 0.00 -0.55 0.00 0.00 175.29 175.15 1y18 s ALA 40 N 2.27 2.74 0.21 1.58 0.00 -1.26 -1.56 121.76 125.74 1y18 s ALA 40 Ca 0.07 -0.11 -0.32 0.00 0.00 0.00 0.00 51.96 51.60 1y18 s ALA 40 Cb -0.15 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 1y18 s ALA 40 CO -0.20 -1.18 1.51 -2.30 0.00 0.00 0.00 175.76 173.59 1y18 n PRO 41 N -3.07 2.17 -2.05 0.00 -0.02 -1.26 -1.89 135.00 128.88 1y18 n PRO 41 Ca 0.07 0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 62.13 1y18 n PRO 41 Cb 0.55 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 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 2.73 0.51 3.32 -1.23 0.00 -1.26 -4.97 105.19 104.29 1y18 n GLY 42 Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1y18 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y18 s LYS 43 N -4.45 1.43 0.00 1.61 1.02 -0.79 -5.17 119.74 113.39 1y18 s LYS 43 Ca 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1y18 s LYS 43 Cb 0.00 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.09 1y18 s LYS 43 CO 0.00 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1y18 n GLY 44 N -0.47 0.94 3.78 -3.33 0.00 -1.26 -4.65 105.19 100.20 1y18 n GLY 44 Ca 0.00 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.04 0.99 1.43 -1.26 -4.30 118.68 119.07 1y18 s LEU 45 Ca 0.00 1.98 -0.02 0.00 -1.03 0.00 0.00 54.13 55.06 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 -1.29 0.06 -0.70 0.23 0.00 0.00 176.35 174.65 1y18 s GLU 46 N -3.79 -0.07 0.06 1.70 2.12 -0.09 -4.99 118.70 113.65 1y18 s GLU 46 Ca 0.67 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 56.06 1y18 s GLU 46 Cb -0.19 -0.45 -0.06 0.00 0.26 0.00 0.00 34.13 33.68 1y18 s GLU 46 CO 0.34 -0.30 1.27 -0.46 -0.54 0.00 0.00 175.26 175.57 1y18 s TRP 47 N 1.99 3.30 -0.23 5.30 -0.00 -1.26 -1.40 118.94 126.63 1y18 s TRP 47 Ca 0.02 1.15 -0.09 0.00 -0.00 0.00 0.00 56.10 57.19 1y18 s TRP 47 Cb -0.12 -3.51 -0.18 0.00 -0.00 0.00 0.00 33.47 29.66 1y18 s TRP 47 CO -0.03 -1.69 -0.07 -0.89 -0.00 0.00 0.00 176.95 174.26 1y18 n ILE 48 N 4.08 1.57 0.00 5.86 5.41 -0.42 -4.50 119.36 131.35 1y18 n ILE 48 Ca 0.10 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1y18 n ILE 48 Cb 0.45 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 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 1.75 1.36 3.16 7.39 0.00 -1.18 -0.76 105.19 116.91 1y18 n GLY 49 Ca -0.44 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 0.42 -0.03 1.61 1.47 -0.30 -1.58 116.67 118.27 1y18 s ASP 50 Ca 0.00 -1.21 0.01 0.00 1.18 0.00 0.00 52.55 52.52 1y18 s ASP 50 Cb 0.00 0.28 0.02 0.00 -0.34 0.00 0.00 42.92 42.88 1y18 s ASP 50 CO 0.00 -0.71 -0.01 -0.51 0.68 0.00 0.00 175.17 174.62 1y18 s ILE 51 N -4.00 0.22 0.78 2.11 2.07 0.63 -1.64 121.20 121.37 1y18 s ILE 51 Ca 0.25 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.40 1y18 s ILE 51 Cb 0.07 -0.28 0.06 0.00 0.13 0.00 0.00 42.46 42.44 1y18 s ILE 51 CO 0.02 0.14 1.09 0.54 -1.91 0.00 0.00 174.94 174.83 1y18 s ASN 52 N 0.80 4.64 0.15 4.50 4.22 -0.79 -1.31 114.94 127.15 1y18 s ASN 52 Ca -0.08 1.31 -0.30 0.00 -2.14 0.00 0.00 52.86 51.65 1y18 s ASN 52 Cb -0.11 -2.05 -0.05 0.00 1.28 0.00 0.00 41.25 40.31 1y18 s ASN 52 CO -0.01 -1.87 1.56 -0.65 -2.04 0.00 0.00 177.10 174.08 1y18 h PRO 52 N -1.02 -0.31 -0.85 3.55 0.11 -1.85 -1.50 132.00 130.12 1y18 h PRO 52 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1y18 h PRO 52 Cb 1.26 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1y18 h PRO 52 CO 0.60 -0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 177.78 1y18 n ASP 53 N -5.39 0.91 -0.25 -2.05 5.68 -1.26 -4.85 116.55 109.33 1y18 n ASP 53 Ca -0.01 -2.01 -0.03 0.00 -0.50 0.00 0.00 54.79 52.24 1y18 n ASP 53 Cb 0.34 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 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 -0.06 -4.19 0.14 -1.12 7.64 -0.57 -4.78 113.62 110.68 1y18 n SER 54 Ca 0.00 0.07 0.13 0.00 1.01 0.00 0.00 58.87 60.08 1y18 n SER 54 Cb 0.22 -2.80 0.32 0.00 -1.01 0.00 0.00 64.21 60.95 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 -4.52 1.43 3.08 -1.89 -3.43 114.38 109.05 1y18 h ARG 55 Ca -0.05 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.43 1y18 h ARG 55 Cb 0.75 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.44 1y18 h ARG 55 CO 0.08 0.00 -0.82 0.99 -1.07 0.00 0.00 179.97 179.15 1y18 s THR 56 N -3.14 1.35 -0.19 2.04 2.01 -1.26 -5.06 115.64 111.39 1y18 s THR 56 Ca 0.09 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1y18 s THR 56 Cb 0.10 -1.29 0.06 0.00 0.01 0.00 0.00 72.50 71.38 1y18 s THR 56 CO 0.63 0.42 0.03 -0.63 -0.69 0.00 0.00 174.62 174.38 1y18 s ILE 57 N 1.46 0.51 -0.08 1.82 1.01 -1.26 -1.89 121.20 122.77 1y18 s ILE 57 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 1y18 s ILE 57 Cb -0.13 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1y18 s ILE 57 CO -0.08 -0.19 0.22 0.20 0.00 0.00 0.00 174.94 175.09 1y18 s ASN 58 N 1.86 6.51 0.18 3.58 0.01 -0.65 -4.96 114.94 121.47 1y18 s ASN 58 Ca -0.01 0.61 0.07 0.00 -0.71 0.00 0.00 52.86 52.82 1y18 s ASN 58 Cb -0.17 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1y18 s ASN 58 CO -0.08 0.38 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.44 1y18 s TYR 59 N -1.06 1.61 0.05 2.20 2.02 -1.26 -1.14 117.35 119.77 1y18 s TYR 59 Ca 0.18 -0.59 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 1y18 s TYR 59 Cb -0.13 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.59 1y18 s TYR 59 CO 0.07 0.28 1.30 1.41 -1.57 0.00 0.00 175.55 177.04 1y18 s MET 60 N -3.42 4.36 0.16 -0.62 -2.45 0.06 -4.87 119.30 112.52 1y18 s MET 60 Ca 0.19 1.89 -0.02 0.00 -1.25 0.00 0.00 55.69 56.50 1y18 s MET 60 Cb -0.01 -3.40 0.33 0.00 1.25 0.00 0.00 34.83 32.99 1y18 s MET 60 CO 0.05 -0.40 0.84 -2.30 1.05 0.00 0.00 175.02 174.26 1y18 n PRO 61 N 4.44 -0.05 0.03 4.11 -0.02 -1.26 -1.44 135.00 140.81 1y18 n PRO 61 Ca 0.11 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1y18 n PRO 61 Cb 0.45 -1.27 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 1y18 n PRO 61 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1y18 h SER 62 N 0.00 -0.03 0.00 2.55 4.64 -1.98 -3.10 113.55 115.62 1y18 h SER 62 Ca 0.29 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1y18 h SER 62 Cb 0.53 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1y18 h SER 62 CO -0.53 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 175.77 1y18 n LEU 63 N -5.02 0.00 -0.05 5.97 4.77 -0.52 -4.51 117.00 117.64 1y18 n LEU 63 Ca -0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1y18 n LEU 63 Cb 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1y18 n LEU 63 CO 0.33 0.00 0.10 1.17 -1.33 0.00 0.00 177.39 177.66 1y18 n LYS 64 N -0.90 -0.05 -0.09 3.23 4.81 -1.09 -0.87 118.16 123.20 1y18 n LYS 64 Ca 0.16 0.26 -0.10 0.00 -0.87 0.00 0.00 58.31 57.75 1y18 n LYS 64 Cb 0.07 -0.38 -0.15 0.00 0.02 0.00 0.00 35.03 34.59 1y18 n LYS 64 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1y18 n ASP 65 N -3.43 0.32 -0.29 3.14 5.68 -1.26 -4.39 116.55 116.32 1y18 n ASP 65 Ca 0.00 0.06 0.03 0.00 -0.50 0.00 0.00 54.79 54.39 1y18 n ASP 65 Cb 0.03 0.69 0.17 0.00 -1.14 0.00 0.00 41.12 40.87 1y18 n ASP 65 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1y18 h LYS 66 N 0.00 0.74 -6.17 0.11 3.64 -1.63 -3.43 116.57 109.82 1y18 h LYS 66 Ca -0.51 -0.04 -0.54 0.00 -1.27 0.00 0.00 60.65 58.29 1y18 h LYS 66 Cb 2.18 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.76 1y18 h LYS 66 CO 0.03 0.49 -0.59 -0.06 -2.27 0.00 0.00 179.45 177.05 1y18 s PHE 67 N -6.03 2.79 -0.17 1.91 0.08 -0.05 -2.75 117.98 113.76 1y18 s PHE 67 Ca -0.12 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1y18 s PHE 67 Cb 0.19 -1.38 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1y18 s PHE 67 CO 0.78 0.51 0.23 0.42 -0.10 0.00 0.00 175.22 177.06 1y18 s ILE 68 N -2.31 -0.34 0.02 0.64 1.01 -0.70 -4.84 121.20 114.68 1y18 s ILE 68 Ca 0.34 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 1y18 s ILE 68 Cb -0.06 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1y18 s ILE 68 CO 0.22 -0.08 0.33 -0.63 0.00 0.00 0.00 174.94 174.77 1y18 s ILE 69 N 2.35 5.20 0.28 2.92 1.01 -1.26 -0.67 121.20 131.02 1y18 s ILE 69 Ca 0.05 0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 1y18 s ILE 69 Cb -0.14 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1y18 s ILE 69 CO -0.10 0.40 0.65 -0.94 0.00 0.00 0.00 174.94 174.94 1y18 s SER 70 N -1.56 -0.18 0.15 3.58 1.04 -0.91 -5.01 113.70 110.81 1y18 s SER 70 Ca 0.28 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.83 1y18 s SER 70 Cb -0.14 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1y18 s SER 70 CO 0.15 -1.31 0.38 0.00 0.98 0.00 0.00 173.24 173.45 1y18 s ARG 71 N -3.85 1.16 -0.38 4.02 1.70 -1.26 -0.47 118.95 119.87 1y18 s ARG 71 Ca 0.15 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 1y18 s ARG 71 Cb -0.04 0.45 0.13 0.00 -0.57 0.00 0.00 34.95 34.92 1y18 s ARG 71 CO 0.08 -0.45 0.21 0.34 -1.08 0.00 0.00 175.30 174.39 1y18 s ASP 72 N -2.88 3.40 0.57 -2.89 -1.08 -0.67 -4.98 116.67 108.14 1y18 s ASP 72 Ca 0.09 -2.28 0.27 0.00 -0.52 0.00 0.00 52.55 50.11 1y18 s ASP 72 Cb 0.02 -0.72 1.56 0.00 -1.46 0.00 0.00 42.92 42.31 1y18 s ASP 72 CO -0.06 -0.31 2.06 0.78 0.52 0.00 0.00 175.17 178.17 1y18 h ASN 73 N 7.06 0.00 -0.51 -0.34 4.21 -1.92 -0.47 115.58 123.61 1y18 h ASN 73 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1y18 h ASN 73 Cb 0.96 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.13 1y18 h ASN 73 CO 0.39 0.00 0.03 0.00 -1.29 0.00 0.00 177.43 176.56 1y18 h ALA 74 N 1.75 1.00 -0.45 -0.83 0.00 -1.95 -3.04 119.26 115.73 1y18 h ALA 74 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y18 h ALA 74 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y18 h ALA 74 CO -0.00 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.50 1y18 n LYS 75 N -4.21 3.50 -4.08 0.00 5.02 -0.27 -4.98 118.16 113.14 1y18 n LYS 75 Ca 0.03 -2.77 -0.28 0.00 -2.02 0.00 0.00 58.31 53.27 1y18 n LYS 75 Cb 0.31 -1.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 1y18 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y18 n ASN 76 N 0.39 -0.16 -4.21 4.39 4.13 -0.71 -4.80 115.26 114.29 1y18 n ASN 76 Ca 0.22 -1.12 -0.17 0.00 1.68 0.00 0.00 54.58 55.19 1y18 n ASN 76 Cb 0.86 -2.47 -0.11 0.00 -1.54 0.00 0.00 39.78 36.51 1y18 n ASN 76 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1y18 s SER 77 N -4.31 1.76 -0.04 6.41 0.01 -1.11 -1.12 113.70 115.30 1y18 s SER 77 Ca 0.04 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.56 1y18 s SER 77 Cb -0.02 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 1y18 s SER 77 CO 0.93 -0.17 -0.14 -0.22 0.41 0.00 0.00 173.24 174.06 1y18 s LEU 78 N -2.30 1.85 0.14 2.44 2.96 -0.58 -1.67 118.68 121.53 1y18 s LEU 78 Ca 0.05 -0.28 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1y18 s LEU 78 Cb -0.05 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1y18 s LEU 78 CO 0.02 0.11 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.62 1y18 s TYR 79 N 0.12 2.06 -0.15 5.38 2.02 0.38 -0.79 117.35 126.36 1y18 s TYR 79 Ca -0.04 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 1y18 s TYR 79 Cb -0.10 -1.09 0.05 0.00 -0.40 0.00 0.00 41.96 40.42 1y18 s TYR 79 CO 0.01 0.32 0.04 -1.17 -1.57 0.00 0.00 175.55 173.19 1y18 s LEU 80 N -2.22 0.83 -0.40 -1.29 2.96 -0.48 -2.15 118.68 115.93 1y18 s LEU 80 Ca 0.13 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.32 1y18 s LEU 80 Cb -0.09 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.15 1y18 s LEU 80 CO 0.06 -0.28 0.37 -1.58 -1.32 0.00 0.00 176.35 173.59 1y18 s GLN 81 N 1.95 3.15 0.11 1.98 2.00 0.15 -0.30 119.66 128.71 1y18 s GLN 81 Ca 0.01 -0.79 -0.09 0.00 -2.00 0.00 0.00 55.36 52.49 1y18 s GLN 81 Cb -0.15 -3.94 -0.06 0.00 0.80 0.00 0.00 33.01 29.66 1y18 s GLN 81 CO -0.07 -0.74 0.43 -0.51 -0.50 0.00 0.00 175.29 173.89 1y18 s LEU 82 N 1.94 4.31 0.15 3.68 1.43 0.27 -1.73 118.68 128.74 1y18 s LEU 82 Ca 0.09 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 1y18 s LEU 82 Cb -0.18 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1y18 s LEU 82 CO 0.12 0.12 0.31 -0.94 0.23 0.00 0.00 176.35 176.19 1y18 s SER 82 N -1.94 -0.01 -1.50 2.29 1.04 -1.11 -1.11 113.70 111.37 1y18 s SER 82 Ca 0.36 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.98 1y18 s SER 82 Cb -0.13 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.49 1y18 s SER 82 CO 0.20 -0.88 0.86 0.54 0.98 0.00 0.00 173.24 174.94 1y18 n ARG 82 N -0.20 -4.96 -1.68 4.02 1.74 -0.59 -4.82 116.66 110.17 1y18 n ARG 82 Ca -0.10 0.56 -0.45 0.00 -0.77 0.00 0.00 57.85 57.09 1y18 n ARG 82 Cb 0.63 -5.30 -0.04 0.00 -1.02 0.00 0.00 32.46 26.73 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 -4.55 3.59 -4.54 0.55 4.77 -0.65 -4.56 117.00 111.61 1y18 n LEU 82 Ca -0.05 1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 56.70 1y18 n LEU 82 Cb 0.57 -1.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.10 1y18 n LEU 82 CO 0.75 -0.03 -0.40 -0.13 -1.33 0.00 0.00 177.39 176.25 1y18 s ARG 83 N 2.38 1.88 0.53 3.23 1.81 -1.26 0.55 118.95 128.07 1y18 s ARG 83 Ca 0.83 -1.74 0.24 0.00 -1.72 0.00 0.00 55.73 53.34 1y18 s ARG 83 Cb -0.60 -1.85 1.39 0.00 -0.45 0.00 0.00 34.95 33.44 1y18 s ARG 83 CO 0.41 0.27 2.02 0.66 -0.68 0.00 0.00 175.30 177.98 1y18 h SER 84 N 2.08 0.00 0.28 0.23 4.64 -1.96 0.24 113.55 119.06 1y18 h SER 84 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1y18 h SER 84 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1y18 h SER 84 CO 0.63 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.75 1y18 n GLU 85 N -4.38 0.15 0.00 4.77 0.28 -1.26 -0.88 120.64 119.33 1y18 n GLU 85 Ca 0.07 0.55 0.14 0.00 -0.16 0.00 0.00 57.16 57.76 1y18 n GLU 85 Cb 0.51 -1.91 0.59 0.00 1.43 0.00 0.00 31.44 32.06 1y18 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1y18 n ASP 86 N -2.22 1.10 -4.66 -1.84 8.00 0.85 -4.80 116.55 112.98 1y18 n ASP 86 Ca 0.00 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 1y18 n ASP 86 Cb 0.11 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1y18 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1y18 s SER 87 N -2.10 6.75 -0.04 -2.24 0.01 -0.05 -4.84 113.70 111.18 1y18 s SER 87 Ca 0.37 2.08 -0.30 0.00 1.31 0.00 0.00 55.95 59.41 1y18 s SER 87 Cb 0.21 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 64.02 1y18 s SER 87 CO 0.37 -0.87 1.33 0.00 0.41 0.00 0.00 173.24 174.48 1y18 s ALA 88 N 3.81 -2.45 -0.22 1.44 0.00 -0.07 -4.40 121.76 119.87 1y18 s ALA 88 Ca 0.68 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 1y18 s ALA 88 Cb -0.30 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 1y18 s ALA 88 CO 0.25 -1.11 0.49 -0.51 0.00 0.00 0.00 175.76 174.89 1y18 s LEU 89 N -3.44 4.11 -0.28 0.00 1.43 -0.60 -1.27 118.68 118.63 1y18 s LEU 89 Ca 0.23 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 1y18 s LEU 89 Cb 0.03 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1y18 s LEU 89 CO -0.03 -0.20 0.25 -0.31 0.23 0.00 0.00 176.35 176.28 1y18 s TYR 90 N 1.85 3.23 -0.07 0.29 1.51 -0.48 -0.75 117.35 122.93 1y18 s TYR 90 Ca 0.22 0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.41 1y18 s TYR 90 Cb -0.15 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1y18 s TYR 90 CO 0.09 -0.20 0.07 0.71 -1.11 0.00 0.00 175.55 175.11 1y18 s TYR 91 N 1.85 3.34 -0.27 2.71 2.02 0.40 -1.52 117.35 125.88 1y18 s TYR 91 Ca 0.09 0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.98 1y18 s TYR 91 Cb -0.16 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 1y18 s TYR 91 CO 0.11 0.58 0.23 0.00 -1.57 0.00 0.00 175.55 174.90 1y18 s VAL 93 N 1.77 1.19 -0.01 0.00 1.01 0.11 -0.95 120.40 123.51 1y18 s VAL 93 Ca 0.09 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1y18 s VAL 93 Cb -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1y18 s VAL 93 CO 0.10 0.34 0.53 -0.60 0.00 0.00 0.00 175.10 175.47 1y18 s ARG 94 N -0.23 4.23 -0.26 2.72 3.52 -0.22 0.28 118.95 129.00 1y18 s ARG 94 Ca 0.03 0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 56.20 1y18 s ARG 94 Cb -0.07 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1y18 s ARG 94 CO -0.00 0.43 0.01 -1.17 -0.81 0.00 0.00 175.30 173.76 1y18 s LEU 95 N -0.34 3.36 -0.56 -0.88 2.96 -0.55 -2.32 118.68 120.37 1y18 s LEU 95 Ca 0.28 -0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 53.31 1y18 s LEU 95 Cb -0.17 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1y18 s LEU 95 CO 0.15 -0.11 1.16 -0.62 -1.32 0.00 0.00 176.35 175.61 1y18 s ASP 96 N 1.46 6.47 -0.29 3.68 2.15 0.64 -3.54 116.67 127.25 1y18 s ASP 96 Ca 0.03 0.13 -0.10 0.00 0.43 0.00 0.00 52.55 53.04 1y18 s ASP 96 Cb -0.16 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1y18 s ASP 96 CO -0.01 -1.41 0.16 0.12 -0.17 0.00 0.00 175.17 173.86 1y18 s PHE 97 N 4.76 3.18 -0.38 -5.34 5.36 -1.26 -1.82 117.98 122.48 1y18 s PHE 97 Ca 0.43 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 1y18 s PHE 97 Cb -0.08 -2.35 0.13 0.00 -0.34 0.00 0.00 43.02 40.38 1y18 s PHE 97 CO 0.26 -0.30 0.19 0.34 -1.46 0.00 0.00 175.22 174.25 1y18 s ASP 98 N 1.69 3.52 0.52 6.13 -1.08 -1.26 -4.98 116.67 121.20 1y18 s ASP 98 Ca 0.06 -2.20 0.32 0.00 -0.52 0.00 0.00 52.55 50.21 1y18 s ASP 98 Cb -0.16 -0.76 1.24 0.00 -1.46 0.00 0.00 42.92 41.78 1y18 s ASP 98 CO 0.08 -0.32 1.93 1.62 0.52 0.00 0.00 175.17 179.00 1y18 h VAL 99 N 5.51 0.00 0.46 1.11 3.04 -1.96 -1.14 116.25 123.27 1y18 h VAL 99 Ca -0.03 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 65.10 1y18 h VAL 99 Cb 0.96 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1y18 h VAL 99 CO 0.41 0.00 -0.22 0.22 -1.01 0.00 0.00 177.57 176.97 1y18 h TYR 100 N 0.00 -0.57 -0.10 3.17 3.20 -2.05 -3.14 116.97 117.47 1y18 h TYR 100 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1y18 h TYR 100 Cb 0.55 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1y18 h TYR 100 CO 0.00 -0.26 0.00 0.09 -1.64 0.00 0.00 178.16 176.35 1y18 n ASN 100 N -5.21 1.20 -2.54 -2.11 3.02 -1.23 -5.23 115.26 103.17 1y18 n ASN 100 Ca -0.10 -1.59 -0.02 0.00 -0.03 0.00 0.00 54.58 52.85 1y18 n ASN 100 Cb 0.29 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.00 -3.14 0.00 3.10 8.25 -0.43 -5.10 115.22 117.90 1y18 n HIS 100 Ca 0.16 1.85 0.00 0.00 -0.26 0.00 0.00 57.72 59.47 1y18 n HIS 100 Cb 0.26 -2.95 0.00 0.00 1.12 0.00 0.00 29.99 28.43 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 1.96 0.00 -4.70 4.41 4.01 -1.26 -5.01 117.16 116.58 1y18 n TYR 100 Ca -0.17 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.34 1y18 n TYR 100 Cb 0.26 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.19 -1.12 -0.72 1.01 -0.76 -4.98 120.40 115.02 1y18 s VAL 100 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1y18 s VAL 100 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.51 1y18 s VAL 100 CO 0.00 0.34 1.39 -0.76 0.00 0.00 0.00 175.10 176.07 1y18 s LEU 100 N -0.24 4.72 0.00 3.92 1.43 -1.26 -0.26 118.68 126.99 1y18 s LEU 100 Ca 0.04 -2.48 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 1y18 s LEU 100 Cb -0.07 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1y18 s LEU 100 CO -0.00 -0.98 0.78 -0.90 0.23 0.00 0.00 176.35 175.48 1y18 n ASP 101 N 6.64 0.00 -4.85 2.29 5.68 -0.98 -4.82 116.55 120.51 1y18 n ASP 101 Ca 0.34 0.85 -0.37 0.00 -0.50 0.00 0.00 54.79 55.11 1y18 n ASP 101 Cb 0.46 -0.42 -0.06 0.00 -1.14 0.00 0.00 41.12 39.95 1y18 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1y18 s TYR 102 N -2.40 3.55 0.05 2.11 2.02 -1.25 -4.98 117.35 116.45 1y18 s TYR 102 Ca 0.00 0.48 0.08 0.00 -0.37 0.00 0.00 57.07 57.26 1y18 s TYR 102 Cb 0.00 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1y18 s TYR 102 CO 0.00 0.66 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.84 1y18 s TRP 103 N -0.82 1.92 0.86 2.71 0.52 -1.26 -1.05 118.94 121.81 1y18 s TRP 103 Ca 0.14 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.76 1y18 s TRP 103 Cb -0.12 -1.13 0.14 0.00 -1.15 0.00 0.00 33.47 31.22 1y18 s TRP 103 CO 0.03 0.12 1.20 0.20 0.02 0.00 0.00 176.95 178.52 1y18 s GLY 104 N -1.31 1.73 0.00 0.98 0.00 -0.13 -4.81 107.32 103.78 1y18 s GLY 104 Ca 0.08 -1.13 0.25 0.00 0.00 0.00 0.00 44.72 43.92 1y18 s GLY 104 CO 0.02 -0.50 1.73 -1.06 0.00 0.00 0.00 173.10 173.30 1y18 n GLN 105 N -3.41 1.51 -0.07 2.90 6.02 -1.26 -4.71 117.38 118.35 1y18 n GLN 105 Ca 0.13 -0.75 0.01 0.00 -0.01 0.00 0.00 57.00 56.37 1y18 n GLN 105 Cb 0.60 -1.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.43 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 1.08 -2.29 2.99 1.08 0.00 -1.26 -4.98 105.19 101.81 1y18 n GLY 106 Ca 0.18 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.52 1.13 0.23 2.61 -1.32 -0.57 -4.78 115.64 110.41 1y18 s THR 107 Ca 0.00 -0.43 -0.30 0.00 -1.21 0.00 0.00 61.69 59.75 1y18 s THR 107 Cb 0.00 -1.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.83 1y18 s THR 107 CO 0.00 0.37 1.19 -0.55 -2.21 0.00 0.00 174.62 173.42 1y18 s SER 108 N 1.05 7.08 -0.06 8.08 0.15 -1.26 -1.38 113.70 127.35 1y18 s SER 108 Ca -0.07 2.31 -0.00 0.00 0.70 0.00 0.00 55.95 58.89 1y18 s SER 108 Cb -0.15 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1y18 s SER 108 CO -0.01 -0.34 -0.02 -0.69 1.20 0.00 0.00 173.24 173.38 1y18 s VAL 109 N -0.46 0.47 -0.08 4.45 1.01 -0.40 0.27 120.40 125.66 1y18 s VAL 109 Ca 0.50 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.53 1y18 s VAL 109 Cb -0.34 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1y18 s VAL 109 CO 0.40 0.25 -0.24 -0.89 0.00 0.00 0.00 175.10 174.62 1y18 s THR 110 N 1.50 2.02 -0.39 3.92 2.01 -0.66 -0.89 115.64 123.15 1y18 s THR 110 Ca -0.02 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1y18 s THR 110 Cb -0.13 -1.73 0.07 0.00 0.01 0.00 0.00 72.50 70.72 1y18 s THR 110 CO -0.03 0.55 0.19 -0.69 -0.69 0.00 0.00 174.62 173.95 1y18 s VAL 111 N 0.16 3.88 0.19 3.82 1.01 -1.26 -0.06 120.40 128.15 1y18 s VAL 111 Ca -0.13 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.27 1y18 s VAL 111 Cb -0.16 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1y18 s VAL 111 CO 0.07 -0.41 0.49 -0.55 0.00 0.00 0.00 175.10 174.70 1y18 s SER 112 N 1.81 -0.22 0.00 3.32 0.15 -0.66 -4.22 113.70 113.88 1y18 s SER 112 Ca 0.02 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.36 1y18 s SER 112 Cb -0.22 0.56 0.08 0.00 -1.71 0.00 0.00 66.02 64.73 1y18 s SER 112 CO 0.01 -1.03 1.14 -1.54 1.20 0.00 0.00 173.24 173.02 1y18 n SER 113 N -0.32 1.86 -4.55 5.45 3.41 -1.26 -4.21 113.62 113.99 1y18 n SER 113 Ca -0.09 -1.41 -0.29 0.00 -0.26 0.00 0.00 58.87 56.82 1y18 n SER 113 Cb 0.62 0.46 0.20 0.00 -0.26 0.00 0.00 64.21 65.24 1y18 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y18 s ALA 114 N -2.51 0.49 0.24 7.33 0.00 -1.26 -5.06 121.76 121.01 1y18 s ALA 114 Ca 0.19 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.85 1y18 s ALA 114 Cb 0.18 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1y18 s ALA 114 CO 0.58 -3.21 0.01 -1.12 0.00 0.00 0.00 175.76 172.02 1y18 s SER 115 N -3.27 4.67 0.10 0.00 0.01 -1.26 -5.04 113.70 108.91 1y18 s SER 115 Ca 0.67 -0.56 -0.31 0.00 1.31 0.00 0.00 55.95 57.06 1y18 s SER 115 Cb -0.19 -0.93 -0.08 0.00 0.21 0.00 0.00 66.02 65.03 1y18 s SER 115 CO 0.59 0.02 1.48 0.42 0.41 0.00 0.00 173.24 176.15 1y18 s THR 116 N -2.17 3.19 -0.07 1.44 -4.23 -1.26 -4.70 115.64 107.85 1y18 s THR 116 Ca 0.31 0.78 0.03 0.00 -1.18 0.00 0.00 61.69 61.63 1y18 s THR 116 Cb -0.07 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.27 1y18 s THR 116 CO 0.20 0.04 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.42 1y18 s LYS 117 N 1.63 1.95 0.46 3.99 2.20 0.11 -4.92 119.74 125.16 1y18 s LYS 117 Ca 0.67 -0.53 -0.22 0.00 -0.36 0.00 0.00 55.97 55.54 1y18 s LYS 117 Cb -0.38 -1.59 -0.08 0.00 -1.51 0.00 0.00 37.83 34.27 1y18 s LYS 117 CO 0.30 0.09 1.07 0.20 -0.36 0.00 0.00 175.35 176.65 1y18 s GLY 118 N 0.50 2.63 0.56 5.54 0.00 -1.26 -1.46 107.32 113.83 1y18 s GLY 118 Ca -0.14 0.71 -0.18 0.00 0.00 0.00 0.00 44.72 45.12 1y18 s GLY 118 CO 0.04 1.09 1.07 2.56 0.00 0.00 0.00 173.10 177.86 1y18 s PRO 119 N -2.93 3.43 -0.21 2.90 0.04 -1.26 -4.54 135.00 132.43 1y18 s PRO 119 Ca 0.64 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 1y18 s PRO 119 Cb -0.21 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1y18 s PRO 119 CO 0.25 -0.74 0.04 -1.12 0.04 0.00 0.00 177.00 175.47 1y18 s SER 120 N -2.39 5.11 -0.33 6.66 0.01 -0.26 -4.93 113.70 117.58 1y18 s SER 120 Ca 0.66 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.66 1y18 s SER 120 Cb -0.18 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1y18 s SER 120 CO 0.31 0.06 0.21 -0.69 0.41 0.00 0.00 173.24 173.54 1y18 s VAL 121 N 1.05 5.10 0.06 3.43 1.01 -1.26 -1.59 120.40 128.20 1y18 s VAL 121 Ca 0.03 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1y18 s VAL 121 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1y18 s VAL 121 CO 0.02 0.04 -0.04 -0.36 0.00 0.00 0.00 175.10 174.76 1y18 s PHE 122 N 1.70 2.92 0.05 5.22 0.08 0.30 -4.94 117.98 123.29 1y18 s PHE 122 Ca 0.06 -0.05 -0.23 0.00 0.12 0.00 0.00 56.93 56.83 1y18 s PHE 122 Cb -0.17 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 1y18 s PHE 122 CO 0.09 0.43 0.70 -1.25 -0.10 0.00 0.00 175.22 175.09 1y18 s PRO 123 N -1.93 4.42 -1.01 0.24 0.04 -1.26 0.06 135.00 135.56 1y18 s PRO 123 Ca 0.22 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 1y18 s PRO 123 Cb -0.11 -3.33 0.25 0.00 0.04 0.00 0.00 34.50 31.35 1y18 s PRO 123 CO 0.13 0.38 0.96 -0.51 0.04 0.00 0.00 177.00 178.00 1y18 s LEU 124 N -0.32 6.13 0.33 -3.56 1.43 0.61 -4.88 118.68 118.43 1y18 s LEU 124 Ca 0.35 -3.52 -0.27 0.00 -1.03 0.00 0.00 54.13 49.66 1y18 s LEU 124 Cb -0.20 -2.11 -0.13 0.00 0.03 0.00 0.00 46.19 43.78 1y18 s LEU 124 CO 0.21 -0.29 0.97 0.00 0.23 0.00 0.00 176.35 177.47 1y18 n ALA 125 N 2.74 -0.22 -1.86 4.21 0.00 -1.26 -1.82 120.51 122.31 1y18 n ALA 125 Ca 0.22 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 1y18 n ALA 125 Cb 0.39 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.68 3.35 -0.13 0.00 0.02 -1.26 -4.84 135.00 130.47 1y18 s PRO 126 Ca 0.60 1.72 -0.00 0.00 0.02 0.00 0.00 61.00 63.34 1y18 s PRO 126 Cb -0.65 -4.24 0.10 0.00 0.02 0.00 0.00 34.50 29.72 1y18 s PRO 126 CO 0.59 -1.85 1.89 0.43 -0.33 0.00 0.00 177.00 177.73 1y18 n SER 127 N 10.47 5.42 -3.77 2.53 7.64 -1.26 -4.61 113.62 130.04 1y18 n SER 127 Ca 0.25 -2.63 -0.13 0.00 1.01 0.00 0.00 58.87 57.37 1y18 n SER 127 Cb 0.46 -1.02 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 1y18 n SER 127 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y18 s SER 128 N 1.14 -0.23 0.59 6.43 0.15 -1.26 -5.05 113.70 115.47 1y18 s SER 128 Ca 0.13 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 57.09 1y18 s SER 128 Cb 0.10 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1y18 s SER 128 CO 0.00 -0.11 1.02 -0.54 1.20 0.00 0.00 173.24 174.81 1y18 s LYS 129 N 0.55 3.65 0.00 5.44 1.02 -1.26 -4.95 119.74 124.18 1y18 s LYS 129 Ca -0.04 0.85 0.30 0.00 0.02 0.00 0.00 55.97 57.11 1y18 s LYS 129 Cb -0.05 -2.09 1.62 0.00 -0.52 0.00 0.00 37.83 36.79 1y18 s LYS 129 CO -0.03 -0.53 2.06 -1.13 -0.92 0.00 0.00 175.35 174.80 1y18 n SER 130 N -2.37 0.43 0.03 2.83 3.41 -1.25 -3.01 113.62 113.69 1y18 n SER 130 Ca 0.06 -1.17 0.05 0.00 -0.26 0.00 0.00 58.87 57.56 1y18 n SER 130 Cb 0.54 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 1y18 n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1y18 n THR 133 N -0.65 0.74 0.72 6.66 -1.04 -1.26 -4.14 114.28 115.31 1y18 n THR 133 Ca 0.22 -0.62 0.13 0.00 -2.04 0.00 0.00 64.05 61.74 1y18 n THR 133 Cb 0.18 -0.40 0.44 0.00 -1.82 0.00 0.00 70.33 68.72 1y18 n THR 133 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1y18 n SER 134 N -2.65 0.61 -1.02 8.00 3.41 -1.16 -5.04 113.62 115.76 1y18 n SER 134 Ca -0.08 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.18 1y18 n SER 134 Cb 0.72 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1y18 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y18 n GLY 135 N 1.36 -2.25 6.14 5.00 0.00 -1.26 -5.00 105.19 109.17 1y18 n GLY 135 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.65 -0.38 3.36 -0.02 0.00 -1.26 -4.67 105.19 98.57 1y18 n GLY 136 Ca -0.02 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 2.56 0.30 2.61 2.01 -1.26 0.14 115.64 121.99 1y18 s THR 137 Ca 0.00 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.20 1y18 s THR 137 Cb 0.00 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1y18 s THR 137 CO 0.00 0.57 -0.02 0.00 -0.69 0.00 0.00 174.62 174.49 1y18 s ALA 138 N -0.34 3.14 -0.04 7.40 0.00 -0.07 -4.83 121.76 127.03 1y18 s ALA 138 Ca 0.02 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.22 1y18 s ALA 138 Cb -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1y18 s ALA 138 CO 0.02 0.17 -0.19 0.00 0.00 0.00 0.00 175.76 175.77 1y18 s ALA 139 N -2.43 2.46 0.19 0.00 0.00 -1.26 -1.20 121.76 119.52 1y18 s ALA 139 Ca 0.33 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1y18 s ALA 139 Cb -0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1y18 s ALA 139 CO 0.19 0.54 0.32 -0.48 0.00 0.00 0.00 175.76 176.33 1y18 s LEU 140 N -0.65 0.80 0.00 0.00 0.05 -0.96 -4.16 118.68 113.75 1y18 s LEU 140 Ca 0.10 -0.96 0.00 0.00 0.05 0.00 0.00 54.13 53.32 1y18 s LEU 140 Cb -0.11 1.24 0.00 0.00 -2.05 0.00 0.00 46.19 45.27 1y18 s LEU 140 CO 0.00 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.45 1y18 n GLY 141 N -0.27 -0.92 3.09 -3.48 0.00 -0.75 -0.22 105.19 102.64 1y18 n GLY 141 Ca -0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.38 4.31 -0.57 0.00 2.96 0.11 -1.02 118.68 124.10 1y18 s LEU 143 Ca 0.05 -0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 52.87 1y18 s LEU 143 Cb -0.05 -1.93 0.14 0.00 0.50 0.00 0.00 46.19 44.85 1y18 s LEU 143 CO -0.00 -0.30 0.51 -0.69 -1.32 0.00 0.00 176.35 174.55 1y18 s VAL 144 N 1.49 5.11 0.24 1.68 1.01 0.71 -0.54 120.40 130.11 1y18 s VAL 144 Ca 0.01 -1.68 0.11 0.00 0.00 0.00 0.00 61.98 60.43 1y18 s VAL 144 Cb -0.19 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1y18 s VAL 144 CO 0.04 -0.88 -0.17 -1.59 0.00 0.00 0.00 175.10 172.50 1y18 s LYS 145 N 1.37 1.75 -0.89 2.72 -2.85 -0.62 -0.53 119.74 120.69 1y18 s LYS 145 Ca 0.05 -1.60 -0.05 0.00 -1.00 0.00 0.00 55.97 53.37 1y18 s LYS 145 Cb -0.27 -1.88 -0.02 0.00 -2.06 0.00 0.00 37.83 33.60 1y18 s LYS 145 CO 0.01 0.37 0.76 -0.25 0.10 0.00 0.00 175.35 176.33 1y18 n ASP 146 N -0.33 -6.74 -4.30 0.03 8.00 -0.40 -1.10 116.55 111.70 1y18 n ASP 146 Ca -0.08 -0.50 -0.16 0.00 0.71 0.00 0.00 54.79 54.76 1y18 n ASP 146 Cb 0.58 -4.51 -0.10 0.00 -0.02 0.00 0.00 41.12 37.07 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 -3.17 1.46 -0.28 1.24 -0.85 -0.68 -4.38 117.35 110.69 1y18 s TYR 147 Ca 0.19 -0.87 -0.24 0.00 -0.52 0.00 0.00 57.07 55.64 1y18 s TYR 147 Cb -0.04 -0.81 0.12 0.00 0.38 0.00 0.00 41.96 41.60 1y18 s TYR 147 CO 0.78 -0.00 0.98 0.12 -1.52 0.00 0.00 175.55 175.92 1y18 s PHE 148 N -3.39 -0.54 0.00 -3.49 2.19 -0.54 -0.57 117.98 111.64 1y18 s PHE 148 Ca 0.25 1.27 0.00 0.00 0.33 0.00 0.00 56.93 58.78 1y18 s PHE 148 Cb 0.05 0.36 0.00 0.00 -1.31 0.00 0.00 43.02 42.12 1y18 s PHE 148 CO 0.06 -0.26 0.00 -0.35 1.83 0.00 0.00 175.22 176.50 1y18 n PRO 149 N 2.49 0.83 -1.40 10.12 -0.04 -1.26 0.07 135.00 145.82 1y18 n PRO 149 Ca -0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 1y18 n PRO 149 Cb 0.56 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.10 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 -2.13 2.29 0.40 0.54 0.41 -1.26 -4.76 118.70 114.20 1y18 s GLU 150 Ca 0.00 1.37 0.07 0.00 -0.41 0.00 0.00 54.97 56.00 1y18 s GLU 150 Cb 0.00 -1.89 -0.07 0.00 -1.78 0.00 0.00 34.13 30.39 1y18 s GLU 150 CO 0.00 -1.64 0.04 -1.25 -0.49 0.00 0.00 175.26 171.92 1y18 s PRO 151 N -4.45 2.02 0.15 0.39 0.04 -1.26 -4.93 135.00 126.96 1y18 s PRO 151 Ca 0.66 -2.01 0.11 0.00 0.04 0.00 0.00 61.00 59.79 1y18 s PRO 151 Cb -0.20 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1y18 s PRO 151 CO 0.50 -0.04 -0.24 0.14 0.04 0.00 0.00 177.00 177.39 1y18 s VAL 152 N -2.67 2.39 -0.04 -0.36 -7.23 -1.26 -4.50 120.40 106.73 1y18 s VAL 152 Ca 0.36 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1y18 s VAL 152 Cb 0.07 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1y18 s VAL 152 CO 0.19 0.01 -0.21 0.42 -0.31 0.00 0.00 175.10 175.20 1y18 s THR 153 N -1.32 1.72 -0.05 5.32 -4.23 -0.17 -4.96 115.64 111.96 1y18 s THR 153 Ca 0.17 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1y18 s THR 153 Cb -0.09 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1y18 s THR 153 CO 0.08 0.49 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.81 1y18 s VAL 154 N -0.14 1.30 0.20 2.29 1.01 -1.26 -0.88 120.40 122.92 1y18 s VAL 154 Ca -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1y18 s VAL 154 Cb -0.12 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1y18 s VAL 154 CO 0.02 0.38 0.04 -0.94 0.00 0.00 0.00 175.10 174.61 1y18 s SER 156 N 0.24 1.09 -0.09 3.32 1.04 -0.50 -4.94 113.70 113.85 1y18 s SER 156 Ca -0.07 -1.26 0.04 0.00 0.48 0.00 0.00 55.95 55.14 1y18 s SER 156 Cb -0.13 0.16 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 1y18 s SER 156 CO 0.03 -0.65 -0.23 0.26 0.98 0.00 0.00 173.24 173.63 1y18 s TRP 157 N -3.74 2.57 -1.31 5.02 0.52 -1.26 0.12 118.94 120.85 1y18 s TRP 157 Ca 0.29 -0.91 -0.07 0.00 0.02 0.00 0.00 56.10 55.43 1y18 s TRP 157 Cb 0.07 -1.70 -0.00 0.00 -1.15 0.00 0.00 33.47 30.69 1y18 s TRP 157 CO 0.08 -0.34 0.56 0.09 0.02 0.00 0.00 176.95 177.35 1y18 n ASN 162 N 3.37 -1.97 -2.53 2.95 3.02 0.18 -1.24 115.26 119.04 1y18 n ASN 162 Ca -0.18 -1.01 -0.10 0.00 -0.03 0.00 0.00 54.58 53.26 1y18 n ASN 162 Cb 0.53 -3.17 -0.00 0.00 -0.61 0.00 0.00 39.78 36.53 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 -2.87 -3.06 0.00 6.41 7.64 -1.26 -0.84 113.62 119.64 1y18 n SER 163 Ca -0.24 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1y18 n SER 163 Cb 0.65 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.21 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 -0.74 2.87 0.36 0.23 0.00 -0.37 -4.94 105.19 102.59 1y18 n GLY 164 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 1.48 -2.91 4.61 0.00 -0.91 -3.39 119.26 118.14 1y18 h ALA 165 Ca 0.00 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 1y18 h ALA 165 Cb 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 17.79 17.29 1y18 h ALA 165 CO 0.00 0.43 -0.58 -1.17 0.00 0.00 0.00 179.25 177.94 1y18 s LEU 166 N -9.93 3.79 0.00 0.00 2.96 -0.99 -4.87 118.68 109.64 1y18 s LEU 166 Ca -0.11 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1y18 s LEU 166 Cb 0.19 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1y18 s LEU 166 CO 0.79 -0.08 0.00 0.35 -1.32 0.00 0.00 176.35 176.09 1y18 n THR 167 N 4.98 0.00 -2.67 3.68 -2.24 -1.26 -4.04 114.28 112.73 1y18 n THR 167 Ca -0.15 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1y18 n THR 167 Cb 0.51 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.39 7.14 0.00 3.42 0.15 -1.26 -3.12 113.70 119.64 1y18 s SER 168 Ca 0.00 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.08 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 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1y18 n GLY 169 N 3.25 0.70 3.75 9.45 0.00 -1.26 -4.75 105.19 116.32 1y18 n GLY 169 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.63 4.75 -0.22 1.61 1.01 -1.18 -2.78 120.40 120.96 1y18 s VAL 171 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 1y18 s VAL 171 Cb 0.00 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1y18 s VAL 171 CO 0.00 0.38 0.03 -1.00 0.00 0.00 0.00 175.10 174.51 1y18 s HIS 172 N -0.12 1.31 -0.41 5.22 3.76 0.74 -4.98 115.29 120.81 1y18 s HIS 172 Ca 0.37 -1.12 -0.10 0.00 -0.15 0.00 0.00 55.06 54.06 1y18 s HIS 172 Cb -0.20 -1.21 0.07 0.00 1.11 0.00 0.00 32.58 32.35 1y18 s HIS 172 CO 0.22 -0.68 0.25 0.99 -0.85 0.00 0.00 174.74 174.67 1y18 s THR 173 N 1.76 4.33 0.69 1.30 2.01 -1.26 -0.71 115.64 123.76 1y18 s THR 173 Ca 0.00 -1.26 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 1y18 s THR 173 Cb -0.17 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1y18 s THR 173 CO -0.11 -0.44 1.13 -0.36 -0.69 0.00 0.00 174.62 174.15 1y18 s PHE 174 N 1.46 2.45 0.41 4.92 0.08 -0.57 -4.98 117.98 121.75 1y18 s PHE 174 Ca 0.03 1.57 -0.25 0.00 0.12 0.00 0.00 56.93 58.39 1y18 s PHE 174 Cb -0.22 -3.24 -0.08 0.00 -0.57 0.00 0.00 43.02 38.90 1y18 s PHE 174 CO 0.03 -1.95 1.21 -1.25 -0.10 0.00 0.00 175.22 173.17 1y18 s PRO 175 N -4.09 4.00 0.62 0.24 0.04 -1.26 -4.59 135.00 129.96 1y18 s PRO 175 Ca 0.68 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 63.48 1y18 s PRO 175 Cb -0.22 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1y18 s PRO 175 CO 0.43 -0.40 1.22 0.00 0.04 0.00 0.00 177.00 178.30 1y18 s ALA 176 N -1.37 2.46 0.10 8.56 0.00 -1.26 -4.85 121.76 125.40 1y18 s ALA 176 Ca 0.57 1.03 0.09 0.00 0.00 0.00 0.00 51.96 53.65 1y18 s ALA 176 Cb -0.33 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1y18 s ALA 176 CO 0.42 -1.34 -0.21 0.14 0.00 0.00 0.00 175.76 174.76 1y18 s VAL 177 N -1.62 2.61 -0.37 0.00 -7.23 0.49 -4.92 120.40 109.37 1y18 s VAL 177 Ca 0.78 -1.50 -0.20 0.00 -1.81 0.00 0.00 61.98 59.25 1y18 s VAL 177 Cb -0.32 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1y18 s VAL 177 CO 0.36 0.17 0.61 -0.22 -0.31 0.00 0.00 175.10 175.71 1y18 s LEU 178 N -1.90 4.33 0.64 1.32 2.96 -1.26 -1.93 118.68 122.84 1y18 s LEU 178 Ca 0.16 0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 1y18 s LEU 178 Cb -0.10 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 1y18 s LEU 178 CO 0.07 -0.61 1.05 -1.10 -1.32 0.00 0.00 176.35 174.44 1y18 s GLN 179 N 2.66 3.22 0.43 1.98 -0.21 -0.03 -4.92 119.66 122.79 1y18 s GLN 179 Ca 0.23 1.00 0.14 0.00 0.02 0.00 0.00 55.36 56.75 1y18 s GLN 179 Cb -0.15 -2.03 1.03 0.00 1.00 0.00 0.00 33.01 32.87 1y18 s GLN 179 CO 0.15 -0.88 1.97 0.66 -2.12 0.00 0.00 175.29 175.08 1y18 h SER 180 N -0.19 0.37 0.05 5.90 4.64 -1.96 0.22 113.55 122.58 1y18 h SER 180 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1y18 h SER 180 Cb 1.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1y18 h SER 180 CO 0.58 0.22 0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 1y18 n SER 182 N -4.47 0.00 0.00 4.97 3.41 -1.26 -4.77 113.62 111.50 1y18 n SER 182 Ca 0.10 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1y18 n SER 182 Cb 0.39 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.86 0.85 3.84 5.00 0.00 0.77 -5.02 105.19 109.77 1y18 n GLY 183 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 4.01 0.42 0.99 1.43 -1.25 -4.87 118.68 119.41 1y18 s LEU 184 Ca 0.00 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1y18 s LEU 184 Cb 0.00 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1y18 s LEU 184 CO 0.00 0.13 0.67 -0.31 0.23 0.00 0.00 176.35 177.06 1y18 s TYR 185 N -1.56 3.52 -0.12 0.29 2.02 0.26 -0.85 117.35 120.91 1y18 s TYR 185 Ca 0.32 0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 57.29 1y18 s TYR 185 Cb -0.12 -2.10 0.08 0.00 -0.40 0.00 0.00 41.96 39.42 1y18 s TYR 185 CO 0.25 -0.09 0.74 0.45 -1.57 0.00 0.00 175.55 175.33 1y18 s SER 186 N -4.08 -0.64 0.21 2.29 0.15 -0.81 -1.28 113.70 109.54 1y18 s SER 186 Ca 0.44 0.86 -0.21 0.00 0.70 0.00 0.00 55.95 57.73 1y18 s SER 186 Cb -0.10 0.74 0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1y18 s SER 186 CO 0.40 -0.48 0.63 -1.48 1.20 0.00 0.00 173.24 173.51 1y18 s LEU 187 N -0.77 -0.36 0.19 3.45 0.05 0.31 -0.38 118.68 121.17 1y18 s LEU 187 Ca -0.07 -0.28 0.10 0.00 0.05 0.00 0.00 54.13 53.92 1y18 s LEU 187 Cb -0.01 2.57 -0.04 0.00 -2.05 0.00 0.00 46.19 46.65 1y18 s LEU 187 CO 0.06 -1.11 -0.20 -0.44 -0.55 0.00 0.00 176.35 174.12 1y18 s SER 188 N -2.83 2.95 -0.05 1.48 0.01 -1.26 -0.20 113.70 113.79 1y18 s SER 188 Ca 0.06 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.40 1y18 s SER 188 Cb -0.03 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.04 1y18 s SER 188 CO -0.05 0.00 0.05 -0.55 0.41 0.00 0.00 173.24 173.11 1y18 s SER 189 N -2.80 1.28 0.36 2.44 0.15 -0.19 -1.52 113.70 113.42 1y18 s SER 189 Ca 0.19 0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.94 1y18 s SER 189 Cb -0.06 -0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1y18 s SER 189 CO 0.08 -0.25 -0.02 0.68 1.20 0.00 0.00 173.24 174.94 1y18 s VAL 190 N 2.14 2.36 -0.26 4.45 -7.23 0.11 -0.14 120.40 121.83 1y18 s VAL 190 Ca 0.05 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 1y18 s VAL 190 Cb -0.12 -2.79 0.07 0.00 0.56 0.00 0.00 36.38 34.10 1y18 s VAL 190 CO -0.04 -0.15 0.66 0.54 -0.31 0.00 0.00 175.10 175.80 1y18 s VAL 191 N -2.59 -0.00 0.05 1.32 0.11 0.70 -0.19 120.40 119.80 1y18 s VAL 191 Ca 0.34 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.27 1y18 s VAL 191 Cb 0.03 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1y18 s VAL 191 CO 0.18 0.00 0.43 0.42 -3.33 0.00 0.00 175.10 172.81 1y18 s THR 192 N 1.23 5.02 0.30 5.04 -4.23 -1.12 -2.27 115.64 119.62 1y18 s THR 192 Ca -0.07 0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1y18 s THR 192 Cb -0.05 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 1y18 s THR 192 CO -0.13 0.42 0.43 0.68 -0.54 0.00 0.00 174.62 175.48 1y18 s VAL 193 N -1.26 0.00 -0.03 2.29 -7.23 -0.34 -4.79 120.40 109.04 1y18 s VAL 193 Ca 0.29 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 1y18 s VAL 193 Cb -0.15 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1y18 s VAL 193 CO 0.16 0.00 1.34 -2.16 -0.31 0.00 0.00 175.10 174.14 1y18 s PRO 194 N -3.43 4.30 0.28 4.82 0.04 -1.26 -0.89 135.00 138.86 1y18 s PRO 194 Ca 0.30 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1y18 s PRO 194 Cb 0.01 -3.59 0.69 0.00 0.04 0.00 0.00 34.50 31.64 1y18 s PRO 194 CO 0.17 -0.56 1.66 0.77 0.04 0.00 0.00 177.00 179.09 1y18 h SER 195 N 7.81 0.10 -0.28 6.66 0.02 0.88 -0.91 113.55 127.82 1y18 h SER 195 Ca -0.36 0.18 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1y18 h SER 195 Cb 1.17 0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 1y18 h SER 195 CO 0.90 -0.10 -0.28 0.77 -1.14 0.00 0.00 176.83 176.98 1y18 h SER 196 N 0.27 -0.90 -1.19 3.07 4.64 -1.77 -2.21 113.55 115.46 1y18 h SER 196 Ca 0.54 0.16 0.34 0.00 -0.47 0.00 0.00 61.79 62.36 1y18 h SER 196 Cb 1.06 0.42 -0.09 0.00 -0.31 0.00 0.00 62.40 63.48 1y18 h SER 196 CO -0.60 -0.30 0.79 0.28 -0.87 0.00 0.00 176.83 176.13 1y18 h SER 197 N -0.27 0.27 -0.52 4.97 0.02 -1.52 -3.19 113.55 113.31 1y18 h SER 197 Ca 0.14 0.07 0.18 0.00 -0.84 0.00 0.00 61.79 61.35 1y18 h SER 197 Cb 0.50 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.98 1y18 h SER 197 CO -0.43 -0.01 0.14 0.18 -1.14 0.00 0.00 176.83 175.56 1y18 n LEU 198 N -4.51 0.05 -0.99 5.07 4.77 -0.83 0.82 117.00 121.38 1y18 n LEU 198 Ca 0.29 0.88 0.09 0.00 -0.03 0.00 0.00 56.01 57.24 1y18 n LEU 198 Cb 1.16 -0.37 0.25 0.00 -2.33 0.00 0.00 43.42 42.13 1y18 n LEU 198 CO 0.29 -0.93 0.71 0.61 -1.33 0.00 0.00 177.39 176.73 1y18 n GLY 199 N -1.20 1.50 0.00 -0.72 0.00 -1.21 -4.56 105.19 99.00 1y18 n GLY 199 Ca 0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1y18 n GLY 199 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y18 n THR 200 N 1.08 0.00 -3.07 2.61 -1.04 0.24 -5.05 114.28 109.06 1y18 n THR 200 Ca 0.18 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.79 1y18 n THR 200 Cb 0.46 -0.12 -0.05 0.00 -1.82 0.00 0.00 70.33 68.80 1y18 n THR 200 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1y18 s GLN 203 N -1.19 4.30 -0.24 -2.82 2.00 -0.03 -5.03 119.66 116.65 1y18 s GLN 203 Ca 0.00 0.75 -0.22 0.00 -2.00 0.00 0.00 55.36 53.88 1y18 s GLN 203 Cb 0.00 -3.53 -0.01 0.00 0.80 0.00 0.00 33.01 30.26 1y18 s GLN 203 CO 0.00 -0.14 0.71 0.99 -0.50 0.00 0.00 175.29 176.35 1y18 s THR 205 N 1.56 4.93 -0.30 -0.34 2.01 -1.26 -4.71 115.64 117.53 1y18 s THR 205 Ca 0.33 1.33 -0.10 0.00 0.31 0.00 0.00 61.69 63.55 1y18 s THR 205 Cb -0.16 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1y18 s THR 205 CO 0.13 0.00 0.17 -0.31 -0.69 0.00 0.00 174.62 173.91 1y18 s TYR 206 N 2.54 3.18 -0.07 4.92 2.02 -1.26 -4.94 117.35 123.74 1y18 s TYR 206 Ca 0.30 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1y18 s TYR 206 Cb -0.15 -2.37 0.01 0.00 -0.40 0.00 0.00 41.96 39.05 1y18 s TYR 206 CO 0.08 -0.33 -0.15 0.42 -1.57 0.00 0.00 175.55 174.01 1y18 s ILE 207 N 1.68 1.36 -0.17 2.71 1.01 -1.26 -1.22 121.20 125.32 1y18 s ILE 207 Ca 0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1y18 s ILE 207 Cb -0.16 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1y18 s ILE 207 CO 0.08 0.41 0.09 0.00 0.00 0.00 0.00 174.94 175.51 1y18 s ASN 209 N 0.02 5.78 -0.09 0.00 -0.87 0.32 -1.94 114.94 118.16 1y18 s ASN 209 Ca 0.07 -1.28 -0.10 0.00 -1.57 0.00 0.00 52.86 49.99 1y18 s ASN 209 Cb -0.12 -2.04 -0.05 0.00 -0.02 0.00 0.00 41.25 39.02 1y18 s ASN 209 CO 0.00 -0.50 0.23 -0.69 -2.57 0.00 0.00 177.10 173.56 1y18 s VAL 210 N 1.52 5.36 -0.02 1.60 1.01 0.15 -1.41 120.40 128.60 1y18 s VAL 210 Ca 0.03 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1y18 s VAL 210 Cb -0.22 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1y18 s VAL 210 CO 0.05 0.58 -0.01 0.21 0.00 0.00 0.00 175.10 175.93 1y18 s ASN 211 N -0.84 0.34 -0.39 3.32 2.47 -0.05 -0.87 114.94 118.92 1y18 s ASN 211 Ca 0.17 -0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.44 1y18 s ASN 211 Cb -0.13 -0.14 0.14 0.00 -1.45 0.00 0.00 41.25 39.67 1y18 s ASN 211 CO 0.06 -0.05 0.25 -2.28 -3.72 0.00 0.00 177.10 171.36 1y18 s HIS 212 N 0.61 1.13 0.19 0.43 5.65 -0.23 -1.00 115.29 122.08 1y18 s HIS 212 Ca -0.06 -1.96 -0.22 0.00 0.25 0.00 0.00 55.06 53.07 1y18 s HIS 212 Cb -0.09 -1.17 0.12 0.00 -1.18 0.00 0.00 32.58 30.25 1y18 s HIS 212 CO -0.01 -0.81 1.58 0.87 -0.65 0.00 0.00 174.74 175.71 1y18 h LYS 213 N 6.68 -0.15 -1.06 2.88 1.79 -1.79 -1.53 116.57 123.39 1y18 h LYS 213 Ca 0.08 0.01 0.37 0.00 -2.18 0.00 0.00 60.65 58.93 1y18 h LYS 213 Cb 0.94 0.03 -0.15 0.00 -1.58 0.00 0.00 32.23 31.48 1y18 h LYS 213 CO 0.34 -0.10 0.62 -1.35 -1.08 0.00 0.00 179.45 177.88 1y18 h PRO 214 N -0.15 0.19 -0.37 3.15 0.11 -1.91 0.68 132.00 133.69 1y18 h PRO 214 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1y18 h PRO 214 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1y18 h PRO 214 CO -0.73 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.05 1y18 n SER 215 N -5.03 3.40 -4.21 -2.05 3.41 -0.91 -4.91 113.62 103.33 1y18 n SER 215 Ca 0.34 -2.31 -0.32 0.00 -0.26 0.00 0.00 58.87 56.32 1y18 n SER 215 Cb 1.15 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 1y18 n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1y18 n ASN 216 N 0.35 -0.90 -4.84 4.04 5.15 0.24 -4.88 115.26 114.42 1y18 n ASN 216 Ca 0.16 -1.12 -0.36 0.00 -0.60 0.00 0.00 54.58 52.66 1y18 n ASN 216 Cb 0.60 -2.35 -0.07 0.00 -0.53 0.00 0.00 39.78 37.44 1y18 n ASN 216 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1y18 s THR 217 N -3.82 5.21 -0.13 -0.44 2.01 -0.68 -4.99 115.64 112.81 1y18 s THR 217 Ca 0.30 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 1y18 s THR 217 Cb -0.17 -3.29 0.06 0.00 0.01 0.00 0.00 72.50 69.11 1y18 s THR 217 CO 0.95 0.56 0.20 -0.75 -0.69 0.00 0.00 174.62 174.88 1y18 s LYS 218 N -1.18 0.10 -0.02 4.92 2.20 -1.26 -1.07 119.74 123.43 1y18 s LYS 218 Ca 0.17 0.49 0.04 0.00 -0.36 0.00 0.00 55.97 56.31 1y18 s LYS 218 Cb -0.12 -0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 35.67 1y18 s LYS 218 CO 0.06 -0.41 -0.14 0.08 -0.36 0.00 0.00 175.35 174.58 1y18 s VAL 219 N 2.32 1.16 -0.33 4.02 1.01 -0.05 -5.00 120.40 123.53 1y18 s VAL 219 Ca 0.04 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1y18 s VAL 219 Cb -0.13 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.37 1y18 s VAL 219 CO -0.08 0.33 0.06 -1.81 0.00 0.00 0.00 175.10 173.60 1y18 s ASP 220 N -0.22 4.53 -0.20 3.32 1.01 -1.26 0.30 116.67 124.15 1y18 s ASP 220 Ca 0.03 -1.98 -0.10 0.00 0.71 0.00 0.00 52.55 51.21 1y18 s ASP 220 Cb -0.07 -1.40 -0.05 0.00 1.01 0.00 0.00 42.92 42.41 1y18 s ASP 220 CO -0.00 -0.38 0.13 -0.75 0.21 0.00 0.00 175.17 174.37 1y18 s LYS 221 N 1.12 4.16 -0.34 8.23 2.47 -0.82 -4.92 119.74 129.64 1y18 s LYS 221 Ca 0.10 -0.23 -0.17 0.00 -1.56 0.00 0.00 55.97 54.11 1y18 s LYS 221 Cb -0.18 -3.42 -0.01 0.00 -1.46 0.00 0.00 37.83 32.75 1y18 s LYS 221 CO -0.13 0.27 0.46 0.21 0.16 0.00 0.00 175.35 176.32 1y18 s LYS 222 N 0.45 3.66 -0.26 4.03 2.20 -1.26 -1.39 119.74 127.18 1y18 s LYS 222 Ca 0.08 -0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.31 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 -0.01 -0.56 0.57 0.08 -0.36 0.00 0.00 175.35 175.06 1y18 s VAL 223 N 2.26 5.03 0.27 4.02 1.01 -0.35 -5.01 120.40 127.63 1y18 s VAL 223 Ca 0.17 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.23 1y18 s VAL 223 Cb -0.16 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1y18 s VAL 223 CO 0.12 0.06 -0.13 -1.61 0.00 0.00 0.00 175.10 173.54 1y18 s GLU 226 N 2.38 1.57 -0.15 2.72 2.02 -1.26 -4.43 118.70 121.55 1y18 s GLU 226 Ca 0.23 -1.75 -0.29 0.00 0.02 0.00 0.00 54.97 53.18 1y18 s GLU 226 Cb -0.16 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 1y18 s GLU 226 CO 0.09 0.19 1.67 -2.14 0.02 0.00 0.00 175.26 175.09 1y18 s PRO 227 N -3.62 3.92 0.14 0.39 0.02 -1.26 -4.31 135.00 130.28 1y18 s PRO 227 Ca 0.28 1.91 -0.34 0.00 0.02 0.00 0.00 61.00 62.87 1y18 s PRO 227 Cb -0.00 -4.04 -0.14 0.00 0.02 0.00 0.00 34.50 30.33 1y18 s PRO 227 CO 0.12 -1.15 1.54 1.17 -0.33 0.00 0.00 177.00 178.35 1y18 n LYS 228 N 7.50 1.95 -2.55 5.54 4.81 -1.26 -4.92 118.16 129.24 1y18 n LYS 228 Ca 0.19 0.70 -0.35 0.00 -0.87 0.00 0.00 58.31 57.98 1y18 n LYS 228 Cb 0.44 -2.45 -0.04 0.00 0.02 0.00 0.00 35.03 33.00 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 0.90 6.55 0.00 3.14 0.15 -1.26 -5.10 113.70 118.08 1y18 s SER 232 Ca 0.80 1.97 0.07 0.00 0.70 0.00 0.00 55.95 59.50 1y18 s SER 232 Cb -0.73 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.06 1y18 s SER 232 CO 0.40 -0.64 0.72 0.00 1.20 0.00 0.00 173.24 174.92