#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y18 s VAL 2 N 0.00 3.37 -0.06 6.31 1.01 -1.26 -3.54 120.40 126.23 1y18 s VAL 2 Ca 0.00 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 1y18 s VAL 2 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1y18 s VAL 2 CO 0.00 0.03 -0.03 -0.54 0.00 0.00 0.00 175.10 174.56 1y18 s LYS 3 N 1.89 0.78 -0.18 2.72 1.02 0.14 -4.97 119.74 121.15 1y18 s LYS 3 Ca 0.66 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1y18 s LYS 3 Cb -0.36 -0.96 0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1y18 s LYS 3 CO 0.29 -0.20 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.92 1y18 s LEU 4 N 1.45 2.02 -0.23 3.17 1.43 -1.26 -1.52 118.68 123.75 1y18 s LEU 4 Ca -0.03 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1y18 s LEU 4 Cb -0.13 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.01 1y18 s LEU 4 CO -0.03 -0.15 -0.11 -0.76 0.23 0.00 0.00 176.35 175.53 1y18 s LEU 5 N 1.48 2.81 0.50 1.79 1.43 -0.41 -4.30 118.68 121.97 1y18 s LEU 5 Ca -0.00 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 51.91 1y18 s LEU 5 Cb -0.16 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1y18 s LEU 5 CO -0.08 -0.16 0.84 -1.61 0.23 0.00 0.00 176.35 175.57 1y18 s GLU 6 N 1.25 3.58 0.12 1.70 8.01 -1.26 -1.00 118.70 131.11 1y18 s GLU 6 Ca -0.04 0.36 -0.24 0.00 0.01 0.00 0.00 54.97 55.05 1y18 s GLU 6 Cb -0.18 -2.31 0.07 0.00 -4.31 0.00 0.00 34.13 27.41 1y18 s GLU 6 CO -0.07 -0.27 0.64 -1.12 0.01 0.00 0.00 175.26 174.45 1y18 s SER 7 N -4.01 -0.55 0.00 -0.19 0.01 -0.08 -4.83 113.70 104.05 1y18 s SER 7 Ca 0.50 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1y18 s SER 7 Cb -0.10 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1y18 s SER 7 CO 0.45 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1y18 n GLY 8 N -0.25 0.64 3.49 3.44 0.00 -1.26 -0.84 105.19 110.42 1y18 n GLY 8 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.72 1.52 0.00 -0.02 0.00 -1.26 -4.79 107.32 101.05 1y18 s GLY 9 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1y18 s GLY 9 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82 1y18 n GLY 10 N -0.03 1.00 3.73 0.20 0.00 0.18 -4.95 105.19 105.31 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 4.49 0.17 0.99 2.96 -1.26 -1.78 118.68 124.25 1y18 s LEU 11 Ca 0.00 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.74 1y18 s LEU 11 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1y18 s LEU 11 CO 0.00 -0.10 -0.01 0.00 -1.32 0.00 0.00 176.35 174.92 1y18 s ALA 12 N 0.09 1.40 -0.10 5.97 0.00 -0.45 -4.95 121.76 123.72 1y18 s ALA 12 Ca 0.48 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1y18 s ALA 12 Cb -0.24 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1y18 s ALA 12 CO 0.30 -0.28 0.06 -0.65 0.00 0.00 0.00 175.76 175.19 1y18 s GLN 13 N -3.89 3.20 0.29 0.00 -0.21 -1.26 -0.11 119.66 117.69 1y18 s GLN 13 Ca 0.23 -0.28 -0.28 0.00 0.02 0.00 0.00 55.36 55.05 1y18 s GLN 13 Cb 0.06 -2.97 -0.14 0.00 1.00 0.00 0.00 33.01 30.95 1y18 s GLN 13 CO 0.04 0.73 0.89 -0.35 -2.12 0.00 0.00 175.29 174.48 1y18 n PRO 14 N 2.09 1.06 0.00 2.91 -0.04 -1.26 -0.79 135.00 138.97 1y18 n PRO 14 Ca -0.19 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1y18 n PRO 14 Cb 0.54 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.39 2.68 0.35 0.55 0.00 0.27 -4.88 105.19 105.55 1y18 n GLY 15 Ca 0.11 0.00 -0.03 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 -0.62 3.31 -0.02 0.00 0.03 -4.02 105.19 101.87 1y18 n GLY 16 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.42 2.07 -0.18 1.61 0.01 -1.26 -1.40 113.70 113.12 1y18 s SER 17 Ca 0.07 -1.09 -0.22 0.00 1.31 0.00 0.00 55.95 56.01 1y18 s SER 17 Cb -0.00 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.24 1y18 s SER 17 CO 0.05 -0.35 0.59 -0.22 0.41 0.00 0.00 173.24 173.71 1y18 s LEU 18 N -3.27 -0.25 -0.23 2.44 2.96 -0.12 -4.96 118.68 115.25 1y18 s LEU 18 Ca 0.23 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 55.16 1y18 s LEU 18 Cb 0.03 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.80 1y18 s LEU 18 CO 0.05 -0.29 -0.09 -0.75 -1.32 0.00 0.00 176.35 173.95 1y18 s LYS 19 N -0.05 2.91 0.11 1.98 2.47 -1.26 0.91 119.74 126.81 1y18 s LYS 19 Ca -0.03 -0.92 -0.02 0.00 -1.56 0.00 0.00 55.97 53.44 1y18 s LYS 19 Cb -0.04 -2.89 -0.05 0.00 -1.46 0.00 0.00 37.83 33.40 1y18 s LYS 19 CO 0.03 -0.34 0.30 -0.51 0.16 0.00 0.00 175.35 174.99 1y18 s LEU 20 N 1.32 4.31 0.16 5.43 1.43 0.77 -4.69 118.68 127.41 1y18 s LEU 20 Ca 0.01 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1y18 s LEU 20 Cb -0.16 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 1y18 s LEU 20 CO -0.06 0.10 -0.05 -0.94 0.23 0.00 0.00 176.35 175.63 1y18 s SER 21 N -2.52 1.47 -0.05 2.29 1.04 -0.02 -1.41 113.70 114.51 1y18 s SER 21 Ca 0.38 -1.09 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 1y18 s SER 21 Cb -0.12 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.09 1y18 s SER 21 CO 0.26 -0.46 0.09 0.00 0.98 0.00 0.00 173.24 174.11 1y18 s ALA 23 N 1.46 3.58 0.20 0.00 0.00 -0.17 -1.57 121.76 125.26 1y18 s ALA 23 Ca -0.05 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1y18 s ALA 23 Cb -0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1y18 s ALA 23 CO -0.04 0.06 -0.17 0.00 0.00 0.00 0.00 175.76 175.61 1y18 s ALA 24 N 0.56 2.73 -0.03 0.00 0.00 -0.14 -1.29 121.76 123.60 1y18 s ALA 24 Ca 0.07 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 1y18 s ALA 24 Cb -0.12 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.61 1y18 s ALA 24 CO 0.00 0.43 0.91 -1.54 0.00 0.00 0.00 175.76 175.57 1y18 s SER 25 N -2.83 -0.35 0.00 0.00 1.04 -0.58 -4.84 113.70 106.15 1y18 s SER 25 Ca 0.23 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1y18 s SER 25 Cb -0.08 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1y18 s SER 25 CO 0.13 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1y18 n GLY 26 N -0.19 0.77 3.51 7.32 0.00 -1.23 0.28 105.19 115.64 1y18 n GLY 26 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.22 -0.43 -1.16 1.61 -0.71 -1.26 -4.33 117.98 109.48 1y18 s PHE 27 Ca 0.00 0.46 -0.22 0.00 -1.04 0.00 0.00 56.93 56.12 1y18 s PHE 27 Cb 0.00 0.50 -0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1y18 s PHE 27 CO 0.00 -0.57 1.90 0.34 -1.34 0.00 0.00 175.22 175.55 1y18 s ASP 28 N -2.05 5.29 0.34 1.98 2.15 -1.26 -4.78 116.67 118.34 1y18 s ASP 28 Ca 0.00 -1.62 0.13 0.00 0.43 0.00 0.00 52.55 51.49 1y18 s ASP 28 Cb -0.01 -2.58 1.07 0.00 -0.30 0.00 0.00 42.92 41.10 1y18 s ASP 28 CO -0.05 -2.77 1.61 0.15 -0.17 0.00 0.00 175.17 173.94 1y18 h PHE 29 N 9.69 0.60 0.00 -5.34 3.57 -1.95 0.31 116.94 123.81 1y18 h PHE 29 Ca 0.23 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1y18 h PHE 29 Cb 0.94 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1y18 h PHE 29 CO 1.24 -0.36 0.00 2.89 -2.23 0.00 0.00 178.31 179.85 1y18 n ARG 30 N -5.25 0.08 0.00 1.11 1.85 -1.26 -2.10 116.66 111.09 1y18 n ARG 30 Ca 0.31 0.51 0.10 0.00 -1.00 0.00 0.00 57.85 57.77 1y18 n ARG 30 Cb 1.02 -1.72 0.05 0.00 -1.05 0.00 0.00 32.46 30.75 1y18 n ARG 30 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1y18 n ARG 31 N -1.88 1.73 -4.30 2.89 1.74 0.11 -4.73 116.66 112.21 1y18 n ARG 31 Ca 0.00 -1.42 -0.29 0.00 -0.77 0.00 0.00 57.85 55.37 1y18 n ARG 31 Cb 0.07 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.99 2.54 0.32 -1.55 1.51 -0.89 -4.89 117.35 112.40 1y18 s TYR 32 Ca 0.21 -0.26 -0.25 0.00 -1.01 0.00 0.00 57.07 55.76 1y18 s TYR 32 Cb 0.17 -1.33 -0.10 0.00 -0.11 0.00 0.00 41.96 40.59 1y18 s TYR 32 CO 0.37 0.41 0.93 -1.58 -1.11 0.00 0.00 175.55 174.57 1y18 s TRP 33 N -1.22 3.67 0.14 2.71 0.52 -1.24 -4.02 118.94 119.49 1y18 s TRP 33 Ca 0.19 1.75 0.10 0.00 0.02 0.00 0.00 56.10 58.16 1y18 s TRP 33 Cb -0.10 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.28 1y18 s TRP 33 CO 0.11 0.20 -0.25 -1.64 0.02 0.00 0.00 176.95 175.39 1y18 s MET 34 N -2.11 1.36 0.07 4.98 -1.94 -0.39 -1.63 119.30 119.64 1y18 s MET 34 Ca 0.50 -1.35 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 1y18 s MET 34 Cb -0.18 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 1y18 s MET 34 CO 0.23 0.41 -0.09 0.99 -0.01 0.00 0.00 175.02 176.55 1y18 s THR 35 N -1.23 0.74 -0.11 2.05 2.01 0.13 -0.39 115.64 118.84 1y18 s THR 35 Ca 0.14 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 60.78 1y18 s THR 35 Cb -0.09 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1y18 s THR 35 CO 0.06 -0.49 -0.23 0.26 -0.69 0.00 0.00 174.62 173.53 1y18 s TRP 36 N -2.01 2.59 -0.00 4.92 0.52 -0.57 0.07 118.94 124.47 1y18 s TRP 36 Ca -0.01 -1.08 0.02 0.00 0.02 0.00 0.00 56.10 55.04 1y18 s TRP 36 Cb -0.06 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1y18 s TRP 36 CO -0.00 -0.44 -0.07 0.08 0.02 0.00 0.00 176.95 176.53 1y18 s VAL 37 N 0.43 0.53 0.29 4.03 1.01 -0.64 -1.16 120.40 124.88 1y18 s VAL 37 Ca -0.16 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.55 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 0.11 -0.07 0.00 0.00 0.00 0.00 175.10 175.21 1y18 s ARG 38 N -0.25 1.59 -0.23 2.72 1.70 -0.47 0.13 118.95 124.15 1y18 s ARG 38 Ca 0.02 -1.80 -0.03 0.00 -0.47 0.00 0.00 55.73 53.44 1y18 s ARG 38 Cb -0.03 -1.28 0.10 0.00 -0.57 0.00 0.00 34.95 33.17 1y18 s ARG 38 CO -0.00 0.07 0.22 -1.14 -1.08 0.00 0.00 175.30 173.38 1y18 s GLN 39 N -3.69 0.21 0.64 3.89 0.74 0.15 -0.86 119.66 120.74 1y18 s GLN 39 Ca 0.30 0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.66 1y18 s GLN 39 Cb 0.03 -1.13 -0.02 0.00 1.10 0.00 0.00 33.01 32.99 1y18 s GLN 39 CO 0.13 -0.76 1.04 0.00 -0.55 0.00 0.00 175.29 175.15 1y18 s ALA 40 N 2.31 2.91 0.22 1.58 0.00 -1.26 -1.49 121.76 126.02 1y18 s ALA 40 Ca 0.07 0.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.74 1y18 s ALA 40 Cb -0.15 -3.13 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 1y18 s ALA 40 CO -0.18 -0.88 1.52 -2.30 0.00 0.00 0.00 175.76 173.92 1y18 n PRO 41 N -2.78 2.25 -2.02 0.00 -0.02 -1.26 -1.80 135.00 129.36 1y18 n PRO 41 Ca 0.07 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 62.18 1y18 n PRO 41 Cb 0.54 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 2.75 0.44 3.30 -1.23 0.00 -1.26 -4.98 105.19 104.21 1y18 n GLY 42 Ca 0.13 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.36 1.43 0.00 1.61 -0.14 -0.74 -5.17 119.74 112.38 1y18 s LYS 43 Ca 0.00 -1.79 0.00 0.00 -1.36 0.00 0.00 55.97 52.82 1y18 s LYS 43 Cb 0.00 -0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.05 1y18 s LYS 43 CO 0.00 -0.37 0.00 0.41 -0.76 0.00 0.00 175.35 174.63 1y18 n GLY 44 N -0.47 1.09 3.78 -3.33 0.00 -1.26 -4.65 105.19 100.35 1y18 n GLY 44 Ca 0.01 -1.98 -0.34 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 3.68 -0.06 0.99 1.43 -1.26 -4.28 118.68 119.18 1y18 s LEU 45 Ca 0.00 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1y18 s LEU 45 Cb 0.00 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.69 1y18 s LEU 45 CO 0.00 -1.18 0.05 -0.70 0.23 0.00 0.00 176.35 174.76 1y18 s GLU 46 N -3.52 0.04 0.06 1.70 2.12 -0.04 -4.99 118.70 114.07 1y18 s GLU 46 Ca 0.69 0.29 -0.31 0.00 0.36 0.00 0.00 54.97 56.01 1y18 s GLU 46 Cb -0.20 -0.71 -0.06 0.00 0.26 0.00 0.00 34.13 33.41 1y18 s GLU 46 CO 0.29 -0.36 1.34 -0.46 -0.54 0.00 0.00 175.26 175.53 1y18 s TRP 47 N 2.13 3.17 -0.23 5.30 -0.00 -1.26 -1.37 118.94 126.69 1y18 s TRP 47 Ca 0.05 1.01 -0.06 0.00 -0.00 0.00 0.00 56.10 57.09 1y18 s TRP 47 Cb -0.12 -3.60 -0.18 0.00 -0.00 0.00 0.00 33.47 29.56 1y18 s TRP 47 CO -0.04 -2.09 -0.07 -0.89 -0.00 0.00 0.00 176.95 173.87 1y18 n ILE 48 N 4.20 1.57 0.00 5.86 5.41 -0.31 -4.52 119.36 131.57 1y18 n ILE 48 Ca 0.11 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1y18 n ILE 48 Cb 0.44 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 1.88 1.55 3.19 7.39 0.00 -1.17 -1.07 105.19 116.95 1y18 n GLY 49 Ca -0.43 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 0.53 -0.01 1.61 1.47 -0.33 -1.51 116.67 118.43 1y18 s ASP 50 Ca 0.00 -1.25 0.00 0.00 1.18 0.00 0.00 52.55 52.48 1y18 s ASP 50 Cb 0.00 0.27 0.01 0.00 -0.34 0.00 0.00 42.92 42.86 1y18 s ASP 50 CO 0.00 -0.72 -0.00 -0.51 0.68 0.00 0.00 175.17 174.62 1y18 s ILE 51 N -3.97 0.10 0.78 2.11 2.07 0.47 -1.74 121.20 121.02 1y18 s ILE 51 Ca 0.28 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.44 1y18 s ILE 51 Cb 0.07 -0.15 0.06 0.00 0.13 0.00 0.00 42.46 42.58 1y18 s ILE 51 CO 0.05 0.08 1.15 0.54 -1.91 0.00 0.00 174.94 174.85 1y18 s ASN 52 N 0.51 4.75 0.11 4.50 4.22 -0.79 -1.26 114.94 126.98 1y18 s ASN 52 Ca -0.05 0.89 -0.25 0.00 -2.14 0.00 0.00 52.86 51.31 1y18 s ASN 52 Cb -0.07 -1.48 -0.08 0.00 1.28 0.00 0.00 41.25 40.91 1y18 s ASN 52 CO -0.01 -1.76 1.43 -0.65 -2.04 0.00 0.00 177.10 174.07 1y18 h PRO 52 N -0.95 -0.19 -0.96 3.55 0.11 -1.85 -1.92 132.00 129.78 1y18 h PRO 52 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1y18 h PRO 52 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1y18 h PRO 52 CO 0.65 -0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1y18 n ASP 53 N -4.80 0.96 -0.03 -2.05 5.68 -1.26 -4.84 116.55 110.21 1y18 n ASP 53 Ca -0.01 -2.00 -0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1y18 n ASP 53 Cb 0.25 -0.48 -0.00 0.00 -1.14 0.00 0.00 41.12 39.74 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 -0.02 -4.40 0.22 -1.12 7.64 -0.72 -4.78 113.62 110.45 1y18 n SER 54 Ca 0.00 0.01 0.12 0.00 1.01 0.00 0.00 58.87 60.01 1y18 n SER 54 Cb 0.24 -2.72 0.32 0.00 -1.01 0.00 0.00 64.21 61.03 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 -4.69 1.43 3.08 -1.88 -3.43 114.38 108.89 1y18 h ARG 55 Ca -0.01 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.45 1y18 h ARG 55 Cb 0.74 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.44 1y18 h ARG 55 CO 0.01 0.10 -0.83 0.99 -1.07 0.00 0.00 179.97 179.16 1y18 s THR 56 N -3.35 1.53 -0.20 2.04 2.01 -1.26 -5.06 115.64 111.35 1y18 s THR 56 Ca 0.04 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 1y18 s THR 56 Cb 0.07 -1.42 0.06 0.00 0.01 0.00 0.00 72.50 71.22 1y18 s THR 56 CO 0.64 0.45 0.04 -0.63 -0.69 0.00 0.00 174.62 174.44 1y18 s ILE 57 N 1.28 0.49 -0.06 1.82 1.01 -1.26 -1.88 121.20 122.61 1y18 s ILE 57 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 1y18 s ILE 57 Cb -0.14 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1y18 s ILE 57 CO -0.07 -0.24 0.23 0.20 0.00 0.00 0.00 174.94 175.06 1y18 s ASN 58 N 1.87 6.49 0.14 3.58 0.01 -0.71 -4.96 114.94 121.36 1y18 s ASN 58 Ca -0.00 0.58 0.06 0.00 -0.71 0.00 0.00 52.86 52.78 1y18 s ASN 58 Cb -0.17 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1y18 s ASN 58 CO -0.09 0.34 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.40 1y18 s TYR 59 N -1.13 1.41 0.20 2.20 2.02 -1.26 -1.18 117.35 119.61 1y18 s TYR 59 Ca 0.21 -0.60 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 1y18 s TYR 59 Cb -0.13 -0.72 -0.08 0.00 -0.40 0.00 0.00 41.96 40.63 1y18 s TYR 59 CO 0.10 0.16 0.98 0.00 -1.57 0.00 0.00 175.55 175.22 1y18 s MET 60 N -3.05 4.77 -0.42 -0.62 0.23 -0.24 -4.89 119.30 115.08 1y18 s MET 60 Ca 0.13 1.54 -0.39 0.00 -1.03 0.00 0.00 55.69 55.94 1y18 s MET 60 Cb -0.03 -3.30 -0.17 0.00 -1.53 0.00 0.00 34.83 29.81 1y18 s MET 60 CO 0.03 0.36 1.47 -2.30 -2.03 0.00 0.00 175.02 172.55 1y18 n PRO 61 N 1.89 0.00 -1.38 3.16 -0.02 -1.26 -4.84 135.00 132.55 1y18 n PRO 61 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y18 n PRO 61 Cb 0.47 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1y18 n PRO 61 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1y18 n SER 62 N 4.14 0.00 -4.78 2.55 3.41 -1.26 -5.15 113.62 112.53 1y18 n SER 62 Ca 0.31 -0.86 -0.39 0.00 -0.26 0.00 0.00 58.87 57.68 1y18 n SER 62 Cb -0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 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 4.47 0.11 1.04 1.02 -1.26 -4.99 118.68 119.06 1y18 s LEU 63 Ca 0.00 1.24 -0.35 0.00 0.02 0.00 0.00 54.13 55.04 1y18 s LEU 63 Cb 0.00 -2.95 -0.18 0.00 0.02 0.00 0.00 46.19 43.08 1y18 s LEU 63 CO 0.00 0.16 1.00 0.29 0.02 0.00 0.00 176.35 177.83 1y18 n LYS 64 N 2.31 0.48 -0.84 1.70 5.02 -1.26 -1.34 118.16 124.23 1y18 n LYS 64 Ca -0.08 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1y18 n LYS 64 Cb 0.51 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1y18 n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y18 n ASP 65 N 1.86 -1.73 -0.15 4.39 9.92 -1.26 -4.82 116.55 124.75 1y18 n ASP 65 Ca 0.18 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.36 1y18 n ASP 65 Cb 0.18 -1.59 0.01 0.00 -0.64 0.00 0.00 41.12 39.08 1y18 n ASP 65 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1y18 h LYS 66 N 1.08 0.60 -6.65 -1.24 3.11 -1.54 -3.42 116.57 108.52 1y18 h LYS 66 Ca 0.00 -0.05 -0.70 0.00 -2.81 0.00 0.00 60.65 57.09 1y18 h LYS 66 Cb 0.20 -0.13 -0.27 0.00 -1.00 0.00 0.00 32.23 31.03 1y18 h LYS 66 CO 0.00 0.44 -0.87 -0.06 -2.81 0.00 0.00 179.45 176.15 1y18 s PHE 67 N -6.01 2.37 -0.18 1.91 0.08 -1.26 -2.07 117.98 112.83 1y18 s PHE 67 Ca -0.13 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.48 1y18 s PHE 67 Cb 0.11 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 41.16 1y18 s PHE 67 CO 0.74 0.07 0.08 0.42 -0.10 0.00 0.00 175.22 176.42 1y18 s ILE 68 N -0.72 0.05 -0.01 0.64 1.01 -0.79 -4.96 121.20 116.42 1y18 s ILE 68 Ca 0.11 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 1y18 s ILE 68 Cb -0.10 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1y18 s ILE 68 CO 0.01 -0.27 0.32 -0.63 0.00 0.00 0.00 174.94 174.37 1y18 s ILE 69 N 2.07 5.19 0.28 2.92 1.01 -1.26 -0.66 121.20 130.76 1y18 s ILE 69 Ca 0.01 0.50 -0.16 0.00 0.00 0.00 0.00 60.65 61.00 1y18 s ILE 69 Cb -0.16 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1y18 s ILE 69 CO -0.09 0.49 0.62 -0.94 0.00 0.00 0.00 174.94 175.01 1y18 s SER 70 N -1.33 -0.10 0.13 3.58 1.04 -0.91 -5.00 113.70 111.11 1y18 s SER 70 Ca 0.25 -0.84 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 1y18 s SER 70 Cb -0.14 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1y18 s SER 70 CO 0.13 -1.31 0.35 0.00 0.98 0.00 0.00 173.24 173.40 1y18 s ARG 71 N -3.72 1.08 -0.40 4.02 1.70 -1.26 -0.62 118.95 119.74 1y18 s ARG 71 Ca 0.17 -0.86 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1y18 s ARG 71 Cb -0.04 0.43 0.13 0.00 -0.57 0.00 0.00 34.95 34.91 1y18 s ARG 71 CO 0.09 -0.41 0.21 0.34 -1.08 0.00 0.00 175.30 174.45 1y18 s ASP 72 N -2.85 3.53 0.58 -2.89 -1.08 -0.69 -4.99 116.67 108.28 1y18 s ASP 72 Ca 0.07 -2.37 0.28 0.00 -0.52 0.00 0.00 52.55 50.00 1y18 s ASP 72 Cb 0.02 -0.85 1.61 0.00 -1.46 0.00 0.00 42.92 42.25 1y18 s ASP 72 CO -0.09 -0.30 2.09 0.78 0.52 0.00 0.00 175.17 178.17 1y18 h ASN 73 N 7.00 0.00 -0.29 -0.34 2.35 -1.92 -0.31 115.58 122.07 1y18 h ASN 73 Ca -0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1y18 h ASN 73 Cb 0.95 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 1y18 h ASN 73 CO 0.43 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 176.12 1y18 h ALA 74 N 1.77 1.10 -0.49 -0.83 0.00 -1.95 -3.05 119.26 115.81 1y18 h ALA 74 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y18 h ALA 74 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1y18 h ALA 74 CO -0.00 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.44 1y18 n LYS 75 N -4.19 3.38 -4.15 0.00 5.02 -0.22 -4.98 118.16 113.03 1y18 n LYS 75 Ca 0.01 -2.70 -0.31 0.00 -2.02 0.00 0.00 58.31 53.30 1y18 n LYS 75 Cb 0.33 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.59 -0.17 -4.23 4.39 3.02 -0.66 -4.79 115.26 113.40 1y18 n ASN 76 Ca 0.22 -1.18 -0.18 0.00 -0.03 0.00 0.00 54.58 53.40 1y18 n ASN 76 Cb 0.79 -2.15 -0.11 0.00 -0.61 0.00 0.00 39.78 37.70 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 -4.27 1.96 -0.03 6.41 0.01 -1.11 -0.96 113.70 115.71 1y18 s SER 77 Ca 0.07 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.58 1y18 s SER 77 Cb -0.03 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.13 1y18 s SER 77 CO 0.96 -0.13 -0.12 -0.22 0.41 0.00 0.00 173.24 174.13 1y18 s LEU 78 N -2.34 1.87 0.12 2.44 2.96 -0.61 -1.71 118.68 121.42 1y18 s LEU 78 Ca 0.07 -0.25 0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1y18 s LEU 78 Cb -0.06 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 1y18 s LEU 78 CO 0.03 0.11 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.62 1y18 s TYR 79 N 0.05 2.11 -0.12 5.38 2.02 0.21 -0.58 117.35 126.42 1y18 s TYR 79 Ca -0.02 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1y18 s TYR 79 Cb -0.09 -1.14 0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1y18 s TYR 79 CO 0.01 0.30 0.03 -1.17 -1.57 0.00 0.00 175.55 173.15 1y18 s LEU 80 N -2.05 0.68 -0.43 -1.29 2.96 -0.50 -2.14 118.68 115.92 1y18 s LEU 80 Ca 0.12 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.48 1y18 s LEU 80 Cb -0.10 -0.43 0.03 0.00 0.50 0.00 0.00 46.19 46.20 1y18 s LEU 80 CO 0.06 -0.26 0.44 -1.58 -1.32 0.00 0.00 176.35 173.69 1y18 s GLN 81 N 1.98 3.07 0.09 1.98 2.00 0.16 -0.16 119.66 128.79 1y18 s GLN 81 Ca 0.03 -0.85 -0.07 0.00 -2.00 0.00 0.00 55.36 52.47 1y18 s GLN 81 Cb -0.14 -4.00 -0.05 0.00 0.80 0.00 0.00 33.01 29.61 1y18 s GLN 81 CO -0.06 -0.90 0.36 -0.51 -0.50 0.00 0.00 175.29 173.68 1y18 s LEU 82 N 2.10 4.31 0.16 3.68 1.43 0.26 -1.89 118.68 128.73 1y18 s LEU 82 Ca 0.11 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1y18 s LEU 82 Cb -0.18 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1y18 s LEU 82 CO 0.12 0.13 0.31 -0.94 0.23 0.00 0.00 176.35 176.21 1y18 s SER 82 N -2.06 -0.01 -1.49 2.29 1.04 -0.88 -0.95 113.70 111.65 1y18 s SER 82 Ca 0.36 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1y18 s SER 82 Cb -0.13 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.50 1y18 s SER 82 CO 0.21 -0.89 0.95 0.54 0.98 0.00 0.00 173.24 175.03 1y18 n ARG 82 N -0.21 -5.62 -1.67 4.02 1.74 -0.49 -4.82 116.66 109.60 1y18 n ARG 82 Ca -0.09 0.62 -0.50 0.00 -0.77 0.00 0.00 57.85 57.11 1y18 n ARG 82 Cb 0.63 -5.47 -0.05 0.00 -1.02 0.00 0.00 32.46 26.55 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 -4.65 2.99 -4.47 0.55 4.77 -0.66 -4.54 117.00 111.00 1y18 n LEU 82 Ca -0.02 1.04 -0.24 0.00 -0.03 0.00 0.00 56.01 56.76 1y18 n LEU 82 Cb 0.55 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 1y18 n LEU 82 CO 0.74 -0.29 -0.47 0.00 -1.33 0.00 0.00 177.39 176.04 1y18 s ARG 83 N 2.73 1.66 0.52 3.23 1.70 -1.26 0.95 118.95 128.49 1y18 s ARG 83 Ca 0.89 -1.77 0.28 0.00 -0.47 0.00 0.00 55.73 54.66 1y18 s ARG 83 Cb -0.78 -1.73 1.41 0.00 -0.57 0.00 0.00 34.95 33.28 1y18 s ARG 83 CO 0.50 0.31 1.93 0.66 -1.08 0.00 0.00 175.30 177.61 1y18 h SER 84 N 2.28 0.05 0.18 -2.89 4.64 -1.95 0.23 113.55 116.08 1y18 h SER 84 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1y18 h SER 84 Cb 1.26 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1y18 h SER 84 CO 0.61 0.02 0.00 -0.33 -0.87 0.00 0.00 176.83 176.25 1y18 h GLU 85 N 0.05 0.00 -0.01 4.77 3.07 -1.95 -0.18 114.58 120.33 1y18 h GLU 85 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1y18 h GLU 85 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1y18 h GLU 85 CO -0.02 0.00 -0.10 -0.25 -1.40 0.00 0.00 179.01 177.24 1y18 n ASP 86 N -2.82 0.65 -4.67 1.42 8.00 0.82 -4.81 116.55 115.14 1y18 n ASP 86 Ca -0.02 -0.80 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 1y18 n ASP 86 Cb 0.10 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.36 6.78 -0.07 -2.24 0.01 -0.08 -4.84 113.70 110.89 1y18 s SER 87 Ca 0.32 2.10 -0.31 0.00 1.31 0.00 0.00 55.95 59.36 1y18 s SER 87 Cb 0.20 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 64.01 1y18 s SER 87 CO 0.45 -0.83 1.38 0.00 0.41 0.00 0.00 173.24 174.65 1y18 s ALA 88 N 3.37 -2.58 -0.24 1.44 0.00 0.08 -4.41 121.76 119.41 1y18 s ALA 88 Ca 0.67 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1y18 s ALA 88 Cb -0.31 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1y18 s ALA 88 CO 0.26 -1.12 0.51 -1.17 0.00 0.00 0.00 175.76 174.24 1y18 s LEU 89 N -3.45 4.08 -0.28 0.00 0.20 -0.56 -1.27 118.68 117.40 1y18 s LEU 89 Ca 0.23 0.56 -0.11 0.00 0.69 0.00 0.00 54.13 55.50 1y18 s LEU 89 Cb 0.04 -2.67 -0.05 0.00 -0.43 0.00 0.00 46.19 43.08 1y18 s LEU 89 CO -0.04 -0.25 0.19 -0.31 -0.29 0.00 0.00 176.35 175.64 1y18 s TYR 90 N 2.11 3.22 -0.03 5.38 1.51 -0.48 -0.68 117.35 128.38 1y18 s TYR 90 Ca 0.22 0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1y18 s TYR 90 Cb -0.16 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 1y18 s TYR 90 CO 0.09 -0.17 0.11 0.71 -1.11 0.00 0.00 175.55 175.19 1y18 s TYR 91 N 1.75 3.40 -0.26 2.71 2.02 0.36 -1.44 117.35 125.89 1y18 s TYR 91 Ca 0.07 0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.97 1y18 s TYR 91 Cb -0.16 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1y18 s TYR 91 CO 0.11 0.60 0.15 0.00 -1.57 0.00 0.00 175.55 174.84 1y18 s VAL 93 N 1.42 1.28 -0.03 0.00 1.01 0.11 -1.01 120.40 123.18 1y18 s VAL 93 Ca 0.07 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1y18 s VAL 93 Cb -0.15 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1y18 s VAL 93 CO 0.07 0.37 0.58 -0.60 0.00 0.00 0.00 175.10 175.52 1y18 s ARG 94 N -0.15 4.31 -0.28 2.72 3.52 -0.23 0.22 118.95 129.07 1y18 s ARG 94 Ca 0.01 0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 56.24 1y18 s ARG 94 Cb -0.09 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1y18 s ARG 94 CO 0.01 0.32 0.05 -1.17 -0.81 0.00 0.00 175.30 173.70 1y18 s LEU 95 N -0.00 3.66 -0.26 -0.88 2.96 -0.64 -2.01 118.68 121.51 1y18 s LEU 95 Ca 0.31 -0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 1y18 s LEU 95 Cb -0.18 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1y18 s LEU 95 CO 0.16 -0.16 1.04 -0.62 -1.32 0.00 0.00 176.35 175.46 1y18 s ASP 96 N 1.49 7.04 -0.73 3.68 -1.08 0.97 -3.62 116.67 124.43 1y18 s ASP 96 Ca 0.03 1.28 -0.01 0.00 -0.52 0.00 0.00 52.55 53.32 1y18 s ASP 96 Cb -0.17 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 38.94 1y18 s ASP 96 CO 0.01 -0.72 0.56 0.12 0.52 0.00 0.00 175.17 175.66 1y18 s PHE 97 N 3.31 3.58 -0.68 -5.34 2.19 -1.26 -1.76 117.98 118.02 1y18 s PHE 97 Ca 0.44 -2.92 -0.16 0.00 0.33 0.00 0.00 56.93 54.62 1y18 s PHE 97 Cb -0.14 -3.14 0.16 0.00 -1.31 0.00 0.00 43.02 38.59 1y18 s PHE 97 CO 0.09 -0.76 0.68 0.34 1.83 0.00 0.00 175.22 177.39 1y18 s ASP 98 N 0.09 6.44 0.52 6.13 -1.08 -1.26 -4.90 116.67 122.61 1y18 s ASP 98 Ca 0.22 -2.10 0.31 0.00 -0.52 0.00 0.00 52.55 50.46 1y18 s ASP 98 Cb -0.14 -2.24 1.08 0.00 -1.46 0.00 0.00 42.92 40.16 1y18 s ASP 98 CO -0.08 -0.80 1.88 -0.37 0.52 0.00 0.00 175.17 176.32 1y18 h VAL 99 N 5.46 0.01 -0.18 1.11 -1.51 -1.96 0.11 116.25 119.29 1y18 h VAL 99 Ca -0.11 -0.65 -0.21 0.00 -1.23 0.00 0.00 66.70 64.50 1y18 h VAL 99 Cb 1.07 1.65 0.01 0.00 -2.13 0.00 0.00 31.29 31.89 1y18 h VAL 99 CO 0.94 0.00 -0.70 1.88 -1.23 0.00 0.00 177.57 178.46 1y18 h TYR 100 N 0.00 1.00 -0.35 5.19 0.05 -2.05 -3.21 116.97 117.60 1y18 h TYR 100 Ca -0.00 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1y18 h TYR 100 Cb 0.65 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1y18 h TYR 100 CO 0.00 1.24 0.00 0.09 -1.05 0.00 0.00 178.16 178.44 1y18 n ASN 100 N -3.94 2.97 -2.81 3.88 3.02 -1.18 -5.25 115.26 111.94 1y18 n ASN 100 Ca -0.06 -1.91 -0.02 0.00 -0.03 0.00 0.00 54.58 52.56 1y18 n ASN 100 Cb 0.71 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.82 -1.84 0.00 3.10 8.25 0.38 -5.06 115.22 120.87 1y18 n HIS 100 Ca 0.14 1.07 0.00 0.00 -0.26 0.00 0.00 57.72 58.67 1y18 n HIS 100 Cb 0.45 -2.18 0.00 0.00 1.12 0.00 0.00 29.99 29.38 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 2.19 0.00 -4.12 4.41 4.01 -1.26 -5.03 117.16 117.36 1y18 n TYR 100 Ca -0.16 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 1y18 n TYR 100 Cb 0.24 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.52 -1.09 -0.72 1.01 -0.72 -4.97 120.40 114.43 1y18 s VAL 100 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1y18 s VAL 100 Cb 0.00 -0.53 0.14 0.00 0.00 0.00 0.00 36.38 35.99 1y18 s VAL 100 CO 0.00 -0.15 1.34 -0.76 0.00 0.00 0.00 175.10 175.54 1y18 s LEU 100 N -0.94 4.82 0.00 3.92 1.43 -1.26 -0.02 118.68 126.62 1y18 s LEU 100 Ca -0.04 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.61 1y18 s LEU 100 Cb -0.07 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1y18 s LEU 100 CO 0.00 -0.97 0.07 0.47 0.23 0.00 0.00 176.35 176.16 1y18 n ASP 101 N 6.51 0.00 -4.82 2.29 8.00 -0.85 -4.81 116.55 122.86 1y18 n ASP 101 Ca 0.33 0.07 -0.36 0.00 0.71 0.00 0.00 54.79 55.53 1y18 n ASP 101 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 1y18 n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1y18 s TYR 102 N -0.15 3.55 0.05 1.24 2.02 -1.26 -4.98 117.35 117.83 1y18 s TYR 102 Ca 0.00 0.53 0.09 0.00 -0.37 0.00 0.00 57.07 57.31 1y18 s TYR 102 Cb 0.00 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1y18 s TYR 102 CO 0.00 0.56 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.72 1y18 s TRP 103 N -0.52 2.11 0.91 2.71 0.52 -1.26 -1.07 118.94 122.34 1y18 s TRP 103 Ca 0.14 -0.40 -0.13 0.00 0.02 0.00 0.00 56.10 55.73 1y18 s TRP 103 Cb -0.12 -1.25 0.17 0.00 -1.15 0.00 0.00 33.47 31.12 1y18 s TRP 103 CO 0.03 0.13 1.26 0.20 0.02 0.00 0.00 176.95 178.59 1y18 s GLY 104 N -1.28 1.76 0.00 0.98 0.00 -0.18 -4.83 107.32 103.77 1y18 s GLY 104 Ca 0.10 -1.21 0.26 0.00 0.00 0.00 0.00 44.72 43.88 1y18 s GLY 104 CO 0.02 -0.50 1.76 -1.06 0.00 0.00 0.00 173.10 173.32 1y18 n GLN 105 N -3.58 1.57 0.00 2.90 6.02 -1.26 -4.71 117.38 118.32 1y18 n GLN 105 Ca 0.14 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1y18 n GLN 105 Cb 0.60 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.28 3.01 1.08 0.00 -1.26 -4.97 105.19 101.90 1y18 n GLY 106 Ca 0.19 -1.48 -0.26 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 -2.53 1.24 0.25 2.61 -1.32 -0.52 -4.78 115.64 110.58 1y18 s THR 107 Ca 0.00 -0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 1y18 s THR 107 Cb 0.00 -1.15 -0.09 0.00 -1.51 0.00 0.00 72.50 69.75 1y18 s THR 107 CO 0.00 0.39 1.10 -0.55 -2.21 0.00 0.00 174.62 173.35 1y18 s SER 108 N 0.98 7.27 -0.08 8.08 0.15 -1.26 -1.38 113.70 127.47 1y18 s SER 108 Ca -0.08 2.22 -0.01 0.00 0.70 0.00 0.00 55.95 58.77 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 -0.00 -0.16 0.00 -0.69 1.20 0.00 0.00 173.24 173.58 1y18 s VAL 109 N -0.89 0.40 -0.19 4.45 1.01 -0.40 0.50 120.40 125.29 1y18 s VAL 109 Ca 0.46 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1y18 s VAL 109 Cb -0.31 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1y18 s VAL 109 CO 0.39 0.25 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 1y18 s THR 110 N 1.96 2.04 -0.33 3.92 2.01 -0.74 -0.74 115.64 123.77 1y18 s THR 110 Ca 0.05 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 1y18 s THR 110 Cb -0.12 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1y18 s THR 110 CO -0.05 0.45 0.76 -0.69 -0.69 0.00 0.00 174.62 174.40 1y18 s VAL 111 N 1.28 4.79 -0.05 3.82 1.01 -1.26 -1.34 120.40 128.64 1y18 s VAL 111 Ca 0.03 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1y18 s VAL 111 Cb -0.14 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.19 1y18 s VAL 111 CO -0.12 -0.32 0.88 -0.55 0.00 0.00 0.00 175.10 175.00 1y18 s SER 112 N 1.72 -0.41 0.04 3.32 0.15 0.85 -4.61 113.70 114.76 1y18 s SER 112 Ca 0.31 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.34 1y18 s SER 112 Cb -0.14 0.39 -0.16 0.00 -1.71 0.00 0.00 66.02 64.40 1y18 s SER 112 CO 0.14 -0.56 0.71 -1.54 1.20 0.00 0.00 173.24 173.19 1y18 n SER 113 N 0.15 0.58 -4.46 5.45 3.41 -1.26 -4.10 113.62 113.39 1y18 n SER 113 Ca -0.11 0.25 -0.32 0.00 -0.26 0.00 0.00 58.87 58.43 1y18 n SER 113 Cb 0.60 0.68 0.16 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.37 -2.50 -2.81 7.33 0.00 -1.26 -5.00 120.51 113.91 1y18 n ALA 114 Ca -0.09 -0.78 -0.27 0.00 0.00 0.00 0.00 53.44 52.29 1y18 n ALA 114 Cb 0.77 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.17 5.63 0.64 0.00 1.04 -1.26 -5.05 113.70 112.53 1y18 s SER 115 Ca 0.60 -0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.79 1y18 s SER 115 Cb -0.20 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 1y18 s SER 115 CO 0.65 0.09 1.30 0.42 0.98 0.00 0.00 173.24 176.68 1y18 s THR 116 N -1.66 2.04 -0.13 2.02 -4.23 -1.26 -4.80 115.64 107.61 1y18 s THR 116 Ca 0.31 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1y18 s THR 116 Cb -0.11 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.79 1y18 s THR 116 CO 0.24 -0.00 0.28 -0.75 -0.54 0.00 0.00 174.62 173.85 1y18 s LYS 117 N -3.37 0.19 0.98 3.99 2.20 0.16 -4.92 119.74 118.98 1y18 s LYS 117 Ca 0.82 0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 57.07 1y18 s LYS 117 Cb -0.38 -0.01 0.18 0.00 -1.51 0.00 0.00 37.83 36.12 1y18 s LYS 117 CO 0.40 -0.25 1.11 0.41 -0.36 0.00 0.00 175.35 176.65 1y18 n GLY 118 N 5.10 -0.79 3.95 5.54 0.00 -1.26 -0.95 105.19 116.78 1y18 n GLY 118 Ca -0.11 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1y18 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1y18 s PRO 119 N -4.57 3.22 -0.19 1.61 0.04 -1.26 -4.27 135.00 129.58 1y18 s PRO 119 Ca 0.67 -0.46 -0.06 0.00 0.04 0.00 0.00 61.00 61.19 1y18 s PRO 119 Cb -0.24 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1y18 s PRO 119 CO 0.60 -0.10 0.04 -1.12 0.04 0.00 0.00 177.00 176.46 1y18 s SER 120 N -4.15 5.30 -0.32 6.66 0.01 0.24 -4.93 113.70 116.51 1y18 s SER 120 Ca 0.45 -0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.60 1y18 s SER 120 Cb -0.10 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.24 1y18 s SER 120 CO 0.37 0.12 0.11 -0.69 0.41 0.00 0.00 173.24 173.56 1y18 s VAL 121 N 0.68 4.04 0.01 3.43 1.01 -1.26 -0.70 120.40 127.61 1y18 s VAL 121 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1y18 s VAL 121 Cb -0.14 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1y18 s VAL 121 CO 0.02 -0.02 -0.06 -0.36 0.00 0.00 0.00 175.10 174.68 1y18 s PHE 122 N 1.49 2.91 0.05 5.22 0.08 0.46 -4.94 117.98 123.25 1y18 s PHE 122 Ca 0.02 -0.03 -0.23 0.00 0.12 0.00 0.00 56.93 56.81 1y18 s PHE 122 Cb -0.18 -1.61 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1y18 s PHE 122 CO 0.03 0.39 0.68 -1.25 -0.10 0.00 0.00 175.22 174.97 1y18 s PRO 123 N -1.48 4.40 -1.01 0.24 0.04 -1.26 0.17 135.00 136.11 1y18 s PRO 123 Ca 0.18 0.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 1y18 s PRO 123 Cb -0.11 -3.32 0.25 0.00 0.04 0.00 0.00 34.50 31.36 1y18 s PRO 123 CO 0.08 0.42 0.97 -0.51 0.04 0.00 0.00 177.00 178.00 1y18 s LEU 124 N -0.45 6.21 0.39 -3.56 1.43 0.51 -4.89 118.68 118.33 1y18 s LEU 124 Ca 0.34 -3.47 -0.25 0.00 -1.03 0.00 0.00 54.13 49.72 1y18 s LEU 124 Cb -0.20 -2.14 -0.11 0.00 0.03 0.00 0.00 46.19 43.77 1y18 s LEU 124 CO 0.21 -0.31 1.03 0.00 0.23 0.00 0.00 176.35 177.51 1y18 n ALA 125 N 2.84 0.19 -2.09 4.21 0.00 -1.26 -1.75 120.51 122.64 1y18 n ALA 125 Ca 0.21 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1y18 n ALA 125 Cb 0.40 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.91 4.31 0.41 0.00 0.02 -1.26 -4.84 135.00 131.73 1y18 s PRO 126 Ca 0.62 2.14 -0.25 0.00 0.02 0.00 0.00 61.00 63.52 1y18 s PRO 126 Cb -0.58 -3.22 -0.08 0.00 0.02 0.00 0.00 34.50 30.64 1y18 s PRO 126 CO 0.58 -0.45 1.23 0.45 -0.33 0.00 0.00 177.00 178.48 1y18 s SER 127 N 0.98 6.38 -0.04 2.53 0.15 -1.26 -4.39 113.70 118.06 1y18 s SER 127 Ca 0.64 2.49 -0.26 0.00 0.70 0.00 0.00 55.95 59.53 1y18 s SER 127 Cb -0.38 -2.62 -0.21 0.00 -1.71 0.00 0.00 66.02 61.10 1y18 s SER 127 CO 0.32 -0.78 1.17 0.77 1.20 0.00 0.00 173.24 175.92 1y18 h SER 128 N 2.61 -0.03 -0.23 5.45 4.64 -1.95 -3.19 113.55 120.85 1y18 h SER 128 Ca -0.49 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.30 1y18 h SER 128 Cb 1.24 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1y18 h SER 128 CO 0.62 0.53 0.00 2.29 -0.87 0.00 0.00 176.83 179.40 1y18 n LYS 129 N -4.84 1.87 -2.22 4.77 2.85 -1.26 -4.88 118.16 114.45 1y18 n LYS 129 Ca -0.09 -0.97 -0.43 0.00 -1.05 0.00 0.00 58.31 55.77 1y18 n LYS 129 Cb 0.28 -1.41 -0.02 0.00 -0.65 0.00 0.00 35.03 33.23 1y18 n LYS 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1y18 s SER 130 N -0.72 6.51 -0.36 -5.58 0.15 -1.21 -4.89 113.70 107.59 1y18 s SER 130 Ca 0.18 1.53 0.13 0.00 0.70 0.00 0.00 55.95 58.48 1y18 s SER 130 Cb 0.11 -2.53 0.42 0.00 -1.71 0.00 0.00 66.02 62.30 1y18 s SER 130 CO 0.09 -1.16 1.27 0.35 1.20 0.00 0.00 173.24 174.98 1y18 n THR 133 N 6.25 0.34 -2.11 6.45 -2.24 -1.18 -4.53 114.28 117.25 1y18 n THR 133 Ca 0.17 -1.92 -0.36 0.00 -2.27 0.00 0.00 64.05 59.68 1y18 n THR 133 Cb 0.45 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1y18 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y18 s SER 134 N -1.85 5.37 -1.30 3.42 0.01 -1.16 -2.51 113.70 115.69 1y18 s SER 134 Ca 0.22 -0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 1y18 s SER 134 Cb 0.42 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1y18 s SER 134 CO -0.06 -2.39 0.18 0.61 0.41 0.00 0.00 173.24 172.00 1y18 n GLY 135 N 6.04 -0.27 2.26 3.44 0.00 -1.26 -1.70 105.19 113.70 1y18 n GLY 135 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.15 0.62 3.87 -0.02 0.00 -1.04 -5.02 105.19 102.44 1y18 n GLY 136 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.48 4.90 0.06 2.61 2.01 -0.69 -0.70 115.64 121.35 1y18 s THR 137 Ca 0.00 0.57 0.05 0.00 0.31 0.00 0.00 61.69 62.62 1y18 s THR 137 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1y18 s THR 137 CO 0.00 -0.02 -0.14 0.00 -0.69 0.00 0.00 174.62 173.77 1y18 s ALA 138 N -1.76 1.12 -0.02 7.40 0.00 -0.65 -2.97 121.76 124.88 1y18 s ALA 138 Ca 0.46 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1y18 s ALA 138 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1y18 s ALA 138 CO 0.20 0.18 -0.19 0.00 0.00 0.00 0.00 175.76 175.96 1y18 s ALA 139 N -1.09 1.56 0.21 0.00 0.00 -1.26 -0.65 121.76 120.53 1y18 s ALA 139 Ca -0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 1y18 s ALA 139 Cb -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1y18 s ALA 139 CO 0.02 0.36 0.35 -0.48 0.00 0.00 0.00 175.76 176.01 1y18 s LEU 140 N -0.35 0.68 0.00 0.00 0.05 -1.02 -4.16 118.68 113.88 1y18 s LEU 140 Ca 0.05 -0.97 0.00 0.00 0.05 0.00 0.00 54.13 53.26 1y18 s LEU 140 Cb -0.08 1.34 0.00 0.00 -2.05 0.00 0.00 46.19 45.40 1y18 s LEU 140 CO -0.00 -1.00 0.00 0.61 -0.55 0.00 0.00 176.35 175.41 1y18 n GLY 141 N -0.30 -0.92 3.09 -3.48 0.00 -0.72 -0.19 105.19 102.67 1y18 n GLY 141 Ca -0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.44 4.38 -0.55 0.00 2.96 0.13 -0.89 118.68 124.27 1y18 s LEU 143 Ca 0.04 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.83 1y18 s LEU 143 Cb -0.05 -1.94 0.14 0.00 0.50 0.00 0.00 46.19 44.84 1y18 s LEU 143 CO -0.00 -0.32 0.49 -0.69 -1.32 0.00 0.00 176.35 174.51 1y18 s VAL 144 N 1.49 5.05 0.25 1.68 1.01 0.11 -0.40 120.40 129.58 1y18 s VAL 144 Ca 0.01 -1.64 0.12 0.00 0.00 0.00 0.00 61.98 60.46 1y18 s VAL 144 Cb -0.19 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1y18 s VAL 144 CO 0.04 -0.87 -0.21 -1.59 0.00 0.00 0.00 175.10 172.48 1y18 s LYS 145 N 1.43 1.60 -0.78 2.72 -2.85 0.13 -0.26 119.74 121.73 1y18 s LYS 145 Ca 0.05 -1.67 -0.01 0.00 -1.00 0.00 0.00 55.97 53.34 1y18 s LYS 145 Cb -0.28 -1.76 -0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1y18 s LYS 145 CO 0.01 0.34 0.69 -0.25 0.10 0.00 0.00 175.35 176.25 1y18 n ASP 146 N -0.30 -7.01 -4.25 0.03 8.00 -0.17 -0.59 116.55 112.26 1y18 n ASP 146 Ca -0.08 -0.33 -0.14 0.00 0.71 0.00 0.00 54.79 54.95 1y18 n ASP 146 Cb 0.59 -4.41 -0.10 0.00 -0.02 0.00 0.00 41.12 37.18 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 -3.02 1.25 -0.28 1.24 -0.85 -0.61 -4.39 117.35 110.68 1y18 s TYR 147 Ca 0.03 -0.91 -0.22 0.00 -0.52 0.00 0.00 57.07 55.45 1y18 s TYR 147 Cb -0.01 -0.69 0.10 0.00 0.38 0.00 0.00 41.96 41.74 1y18 s TYR 147 CO 0.79 -0.08 0.84 0.12 -1.52 0.00 0.00 175.55 175.70 1y18 s PHE 148 N -3.51 -0.72 0.13 -3.49 5.36 -0.13 -0.52 117.98 115.10 1y18 s PHE 148 Ca 0.21 1.63 0.02 0.00 -0.96 0.00 0.00 56.93 57.83 1y18 s PHE 148 Cb 0.05 0.38 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 1y18 s PHE 148 CO 0.03 -0.35 0.18 -0.35 -1.46 0.00 0.00 175.22 173.27 1y18 n PRO 149 N 3.02 0.84 -1.11 10.12 -0.04 -1.26 0.36 135.00 146.93 1y18 n PRO 149 Ca -0.15 -0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 62.32 1y18 n PRO 149 Cb 0.56 -0.07 0.12 0.00 -0.04 0.00 0.00 33.50 34.07 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 -2.64 1.83 0.38 0.54 2.02 -1.26 -4.75 118.70 114.82 1y18 s GLU 150 Ca 0.13 1.39 0.08 0.00 0.02 0.00 0.00 54.97 56.60 1y18 s GLU 150 Cb -0.01 -1.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.33 1y18 s GLU 150 CO 0.09 -2.00 0.05 -1.25 0.02 0.00 0.00 175.26 172.17 1y18 s PRO 151 N -4.64 2.06 0.10 0.39 0.04 -1.26 -4.90 135.00 126.79 1y18 s PRO 151 Ca 0.65 -1.91 0.10 0.00 0.04 0.00 0.00 61.00 59.88 1y18 s PRO 151 Cb -0.21 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1y18 s PRO 151 CO 0.54 0.00 -0.26 0.54 0.04 0.00 0.00 177.00 177.86 1y18 s VAL 152 N -2.61 2.18 -0.04 -0.36 0.11 -1.26 -4.49 120.40 113.92 1y18 s VAL 152 Ca 0.36 -1.62 0.07 0.00 -2.93 0.00 0.00 61.98 57.86 1y18 s VAL 152 Cb 0.05 -1.91 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1y18 s VAL 152 CO 0.20 0.17 -0.25 0.42 -3.33 0.00 0.00 175.10 172.30 1y18 s THR 153 N -0.98 2.05 -0.05 5.04 -4.23 -0.12 -4.96 115.64 112.39 1y18 s THR 153 Ca 0.13 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 1y18 s THR 153 Cb -0.10 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.02 1y18 s THR 153 CO 0.05 0.57 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.88 1y18 s VAL 154 N -0.31 1.16 0.18 2.29 1.01 -1.26 -0.75 120.40 122.71 1y18 s VAL 154 Ca 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1y18 s VAL 154 Cb -0.12 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1y18 s VAL 154 CO 0.02 0.35 -0.00 -0.94 0.00 0.00 0.00 175.10 174.53 1y18 s SER 156 N 0.39 1.35 -0.11 3.32 1.04 -0.49 -4.94 113.70 114.26 1y18 s SER 156 Ca -0.09 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.20 1y18 s SER 156 Cb -0.13 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.08 1y18 s SER 156 CO 0.03 -0.55 -0.22 0.26 0.98 0.00 0.00 173.24 173.74 1y18 s TRP 157 N -3.60 2.60 -1.28 5.02 0.52 -1.26 0.15 118.94 121.09 1y18 s TRP 157 Ca 0.24 -1.01 -0.05 0.00 0.02 0.00 0.00 56.10 55.30 1y18 s TRP 157 Cb 0.06 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1y18 s TRP 157 CO 0.05 -0.40 0.67 0.09 0.02 0.00 0.00 176.95 177.37 1y18 n ASN 162 N 3.55 -2.19 -2.13 2.95 3.02 0.20 -1.43 115.26 119.23 1y18 n ASN 162 Ca -0.19 -0.90 -0.11 0.00 -0.03 0.00 0.00 54.58 53.36 1y18 n ASN 162 Cb 0.53 -3.76 -0.02 0.00 -0.61 0.00 0.00 39.78 35.92 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 -2.97 -3.28 0.00 6.41 7.64 -1.26 -0.60 113.62 119.55 1y18 n SER 163 Ca -0.24 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1y18 n SER 163 Cb 0.66 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.96 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 -0.60 2.27 0.36 0.23 0.00 -0.51 -4.94 105.19 102.00 1y18 n GLY 164 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 1.54 -2.92 4.61 0.00 -0.78 -3.39 119.26 118.33 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 -0.26 -0.21 0.00 0.00 0.00 0.00 17.79 17.31 1y18 h ALA 165 CO 0.00 0.37 -0.58 -1.17 0.00 0.00 0.00 179.25 177.87 1y18 s LEU 166 N -9.86 3.77 0.00 0.00 2.96 -0.98 -4.87 118.68 109.70 1y18 s LEU 166 Ca -0.11 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1y18 s LEU 166 Cb 0.19 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1y18 s LEU 166 CO 0.79 -0.09 0.00 0.35 -1.32 0.00 0.00 176.35 176.07 1y18 n THR 167 N 4.97 0.00 -2.68 3.68 -2.24 -1.26 -4.04 114.28 112.71 1y18 n THR 167 Ca -0.15 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1y18 n THR 167 Cb 0.51 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1y18 n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y18 s SER 168 N -0.35 7.16 0.00 3.42 0.01 -1.26 -3.10 113.70 119.58 1y18 s SER 168 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1y18 s SER 168 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1y18 s SER 168 CO 0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1y18 n GLY 169 N 3.22 0.72 3.75 3.44 0.00 -1.26 -4.81 105.19 110.25 1y18 n GLY 169 Ca 0.10 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 -2.77 4.78 -0.23 1.61 1.01 -1.18 -2.52 120.40 121.11 1y18 s VAL 171 Ca 0.00 1.55 -0.01 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 32.37 1y18 s VAL 171 CO 0.00 0.36 0.02 -1.00 0.00 0.00 0.00 175.10 174.49 1y18 s HIS 172 N -0.01 1.52 -0.45 5.22 3.76 0.73 -4.98 115.29 121.08 1y18 s HIS 172 Ca 0.37 -1.27 -0.12 0.00 -0.15 0.00 0.00 55.06 53.89 1y18 s HIS 172 Cb -0.20 -1.31 0.08 0.00 1.11 0.00 0.00 32.58 32.26 1y18 s HIS 172 CO 0.22 -0.71 0.33 0.99 -0.85 0.00 0.00 174.74 174.72 1y18 s THR 173 N 1.69 4.69 0.66 1.30 2.01 -1.26 -0.91 115.64 123.82 1y18 s THR 173 Ca -0.00 -1.27 -0.15 0.00 0.31 0.00 0.00 61.69 60.58 1y18 s THR 173 Cb -0.18 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 1y18 s THR 173 CO -0.11 -0.56 1.11 -0.36 -0.69 0.00 0.00 174.62 174.01 1y18 s PHE 174 N 1.52 2.64 0.39 4.92 0.08 -0.70 -4.98 117.98 121.86 1y18 s PHE 174 Ca 0.04 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.37 1y18 s PHE 174 Cb -0.24 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 38.96 1y18 s PHE 174 CO 0.04 -1.67 1.27 -1.25 -0.10 0.00 0.00 175.22 173.52 1y18 s PRO 175 N -4.10 4.05 0.64 0.24 0.04 -1.26 -4.59 135.00 130.02 1y18 s PRO 175 Ca 0.67 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.63 1y18 s PRO 175 Cb -0.20 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1y18 s PRO 175 CO 0.41 -0.40 1.25 0.00 0.04 0.00 0.00 177.00 178.30 1y18 s ALA 176 N -1.27 2.39 0.06 8.56 0.00 -1.26 -4.85 121.76 125.39 1y18 s ALA 176 Ca 0.56 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.69 1y18 s ALA 176 Cb -0.37 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1y18 s ALA 176 CO 0.47 -1.49 -0.21 0.08 0.00 0.00 0.00 175.76 174.61 1y18 s VAL 177 N -1.56 2.55 -0.46 0.00 1.01 0.50 -4.92 120.40 117.52 1y18 s VAL 177 Ca 0.79 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1y18 s VAL 177 Cb -0.34 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1y18 s VAL 177 CO 0.38 0.30 0.79 -0.22 0.00 0.00 0.00 175.10 176.36 1y18 s LEU 178 N -1.49 4.27 0.63 3.92 2.96 -1.26 -1.92 118.68 125.78 1y18 s LEU 178 Ca 0.14 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 1y18 s LEU 178 Cb -0.10 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 1y18 s LEU 178 CO 0.05 -0.94 1.04 -1.10 -1.32 0.00 0.00 176.35 174.08 1y18 s GLN 179 N 3.31 3.37 0.38 1.98 -0.21 -0.13 -4.92 119.66 123.45 1y18 s GLN 179 Ca 0.29 0.91 0.13 0.00 0.02 0.00 0.00 55.36 56.71 1y18 s GLN 179 Cb -0.12 -2.05 0.94 0.00 1.00 0.00 0.00 33.01 32.77 1y18 s GLN 179 CO 0.22 -0.75 1.85 0.66 -2.12 0.00 0.00 175.29 175.15 1y18 h SER 180 N -0.20 0.55 0.05 5.90 4.64 -1.96 0.29 113.55 122.82 1y18 h SER 180 Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 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 -4.57 0.00 0.00 4.97 3.41 -1.26 -4.76 113.62 111.41 1y18 n SER 182 Ca 0.19 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1y18 n SER 182 Cb 0.59 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.89 0.81 3.84 5.00 0.00 0.10 -5.02 105.19 109.04 1y18 n GLY 183 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 4.04 0.39 0.99 1.43 -1.25 -4.87 118.68 119.42 1y18 s LEU 184 Ca 0.00 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1y18 s LEU 184 Cb 0.00 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1y18 s LEU 184 CO 0.00 0.14 0.66 -0.31 0.23 0.00 0.00 176.35 177.07 1y18 s TYR 185 N -1.52 3.52 -0.14 0.29 2.02 0.32 -0.95 117.35 120.88 1y18 s TYR 185 Ca 0.32 0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 57.36 1y18 s TYR 185 Cb -0.12 -2.13 0.08 0.00 -0.40 0.00 0.00 41.96 39.39 1y18 s TYR 185 CO 0.25 -0.04 0.73 0.45 -1.57 0.00 0.00 175.55 175.37 1y18 s SER 186 N -3.84 -0.66 0.22 2.29 0.15 -0.81 -1.00 113.70 110.04 1y18 s SER 186 Ca 0.44 0.94 -0.20 0.00 0.70 0.00 0.00 55.95 57.83 1y18 s SER 186 Cb -0.10 0.84 0.04 0.00 -1.71 0.00 0.00 66.02 65.08 1y18 s SER 186 CO 0.38 -0.46 0.62 -1.48 1.20 0.00 0.00 173.24 173.50 1y18 s LEU 187 N -0.63 -0.25 0.21 3.45 0.05 0.64 -0.37 118.68 121.79 1y18 s LEU 187 Ca -0.06 -0.39 0.10 0.00 0.05 0.00 0.00 54.13 53.82 1y18 s LEU 187 Cb -0.02 2.50 -0.05 0.00 -2.05 0.00 0.00 46.19 46.58 1y18 s LEU 187 CO 0.06 -1.14 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.09 1y18 s SER 188 N -2.86 3.04 -0.06 1.48 0.01 -1.26 0.07 113.70 114.12 1y18 s SER 188 Ca 0.08 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 1y18 s SER 188 Cb -0.03 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.03 1y18 s SER 188 CO -0.02 -0.01 0.05 -0.55 0.41 0.00 0.00 173.24 173.12 1y18 s SER 189 N -2.99 1.37 0.36 2.44 0.15 -0.06 -1.71 113.70 113.26 1y18 s SER 189 Ca 0.21 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.92 1y18 s SER 189 Cb -0.05 -0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 63.98 1y18 s SER 189 CO 0.09 -0.25 0.03 0.68 1.20 0.00 0.00 173.24 175.00 1y18 s VAL 190 N 2.12 2.48 -0.28 4.45 -7.23 -0.09 0.00 120.40 121.86 1y18 s VAL 190 Ca 0.05 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.16 1y18 s VAL 190 Cb -0.12 -2.84 0.12 0.00 0.56 0.00 0.00 36.38 34.09 1y18 s VAL 190 CO -0.04 -0.15 0.61 0.54 -0.31 0.00 0.00 175.10 175.76 1y18 s VAL 191 N -2.56 -0.78 0.08 1.32 0.11 0.73 -0.19 120.40 119.11 1y18 s VAL 191 Ca 0.36 0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 1y18 s VAL 191 Cb 0.02 -0.94 -0.07 0.00 -1.53 0.00 0.00 36.38 33.86 1y18 s VAL 191 CO 0.19 0.01 0.61 0.42 -3.33 0.00 0.00 175.10 173.01 1y18 s THR 192 N 2.64 4.68 -0.02 5.04 -4.23 -1.05 -2.43 115.64 120.28 1y18 s THR 192 Ca -0.06 1.32 -0.14 0.00 -1.18 0.00 0.00 61.69 61.63 1y18 s THR 192 Cb -0.11 -3.95 0.02 0.00 1.34 0.00 0.00 72.50 69.80 1y18 s THR 192 CO -0.18 0.53 0.30 0.68 -0.54 0.00 0.00 174.62 175.41 1y18 s VAL 193 N -1.02 0.06 -0.19 2.29 -7.23 0.18 -4.73 120.40 109.75 1y18 s VAL 193 Ca 0.31 -0.46 -0.39 0.00 -1.81 0.00 0.00 61.98 59.63 1y18 s VAL 193 Cb -0.20 -0.59 -0.15 0.00 0.56 0.00 0.00 36.38 36.00 1y18 s VAL 193 CO 0.20 -0.25 1.69 -0.81 -0.31 0.00 0.00 175.10 175.63 1y18 n PRO 194 N 1.41 1.30 -0.30 4.82 -0.04 -1.26 -1.64 135.00 139.30 1y18 n PRO 194 Ca -0.21 0.48 0.17 0.00 -0.04 0.00 0.00 63.50 63.90 1y18 n PRO 194 Cb 0.56 -2.17 0.44 0.00 -0.04 0.00 0.00 33.50 32.28 1y18 n PRO 194 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1y18 h SER 195 N 7.01 0.56 0.00 3.54 0.87 -1.18 -1.76 113.55 122.59 1y18 h SER 195 Ca -0.47 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1y18 h SER 195 Cb 1.31 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1y18 h SER 195 CO 0.93 0.21 0.00 -1.54 -0.53 0.00 0.00 176.83 175.89 1y18 n SER 196 N -4.61 2.74 0.00 6.23 3.41 -1.26 -2.22 113.62 117.91 1y18 n SER 196 Ca 0.21 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1y18 n SER 196 Cb 0.67 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1y18 n SER 196 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y18 n SER 197 N 0.61 0.06 -1.23 4.04 3.41 -0.66 -4.84 113.62 115.01 1y18 n SER 197 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1y18 n SER 197 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1y18 n SER 197 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y18 n LEU 198 N -0.00 2.04 0.00 1.04 4.77 -0.94 -0.11 117.00 123.79 1y18 n LEU 198 Ca 0.00 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1y18 n LEU 198 Cb 0.25 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1y18 n LEU 198 CO 0.00 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1y18 n GLY 199 N 1.04 1.00 0.04 -0.72 0.00 -1.26 -4.87 105.19 100.42 1y18 n GLY 199 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1y18 n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y18 n THR 200 N 0.00 1.46 -3.61 2.61 -2.24 0.84 -5.05 114.28 108.29 1y18 n THR 200 Ca 0.00 -1.67 -0.12 0.00 -2.27 0.00 0.00 64.05 59.99 1y18 n THR 200 Cb 0.21 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 1.05 -0.10 -0.78 -1.52 -1.07 -5.07 119.66 110.17 1y18 s GLN 203 Ca 0.17 -0.51 0.01 0.00 -1.95 0.00 0.00 55.36 53.09 1y18 s GLN 203 Cb 0.15 0.47 -0.02 0.00 -0.22 0.00 0.00 33.01 33.39 1y18 s GLN 203 CO 0.02 -0.40 -0.13 0.99 -0.25 0.00 0.00 175.29 175.52 1y18 s THR 205 N -3.21 3.11 -0.20 -0.19 2.01 -1.26 -4.94 115.64 110.96 1y18 s THR 205 Ca -0.01 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1y18 s THR 205 Cb 0.00 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1y18 s THR 205 CO -0.08 0.55 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.93 1y18 s TYR 206 N -0.07 2.87 -0.07 4.92 2.02 -1.26 -4.95 117.35 120.79 1y18 s TYR 206 Ca -0.02 -1.82 0.02 0.00 -0.37 0.00 0.00 57.07 54.88 1y18 s TYR 206 Cb -0.14 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1y18 s TYR 206 CO 0.04 -0.82 -0.13 0.42 -1.57 0.00 0.00 175.55 173.48 1y18 s ILE 207 N 1.25 1.26 -0.17 2.71 1.01 -1.26 -1.27 121.20 124.73 1y18 s ILE 207 Ca 0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1y18 s ILE 207 Cb -0.15 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1y18 s ILE 207 CO -0.10 0.38 0.10 0.00 0.00 0.00 0.00 174.94 175.32 1y18 s ASN 209 N 0.08 5.78 -0.08 0.00 -0.87 0.38 -1.92 114.94 118.32 1y18 s ASN 209 Ca 0.07 -1.30 -0.11 0.00 -1.57 0.00 0.00 52.86 49.95 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 -0.51 0.27 -0.69 -2.57 0.00 0.00 177.10 173.59 1y18 s VAL 210 N 1.51 5.29 -0.02 1.60 1.01 0.16 -1.39 120.40 128.56 1y18 s VAL 210 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1y18 s VAL 210 Cb -0.22 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1y18 s VAL 210 CO 0.05 0.56 -0.00 0.21 0.00 0.00 0.00 175.10 175.91 1y18 s ASN 211 N -0.73 0.27 -0.39 3.32 2.47 0.07 -0.70 114.94 119.25 1y18 s ASN 211 Ca 0.18 -0.02 0.01 0.00 0.42 0.00 0.00 52.86 53.46 1y18 s ASN 211 Cb -0.14 -0.12 0.14 0.00 -1.45 0.00 0.00 41.25 39.69 1y18 s ASN 211 CO 0.07 -0.06 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 -0.02 -0.95 115.29 122.33 1y18 s HIS 212 Ca -0.06 -1.96 -0.19 0.00 0.25 0.00 0.00 55.06 53.11 1y18 s HIS 212 Cb -0.09 -1.17 0.15 0.00 -1.18 0.00 0.00 32.58 30.29 1y18 s HIS 212 CO -0.01 -0.81 1.61 -0.22 -0.65 0.00 0.00 174.74 174.65 1y18 h LYS 213 N 6.67 -0.12 -1.14 2.88 3.64 -1.79 -1.32 116.57 125.39 1y18 h LYS 213 Ca 0.08 0.01 0.38 0.00 -1.27 0.00 0.00 60.65 59.85 1y18 h LYS 213 Cb 0.94 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.66 1y18 h LYS 213 CO 0.34 -0.08 0.70 -1.35 -2.27 0.00 0.00 179.45 176.79 1y18 h PRO 214 N -0.13 0.19 -0.32 1.90 0.11 -1.91 0.78 132.00 132.62 1y18 h PRO 214 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1y18 h PRO 214 Cb 0.51 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1y18 h PRO 214 CO -0.63 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.16 1y18 n SER 215 N -4.87 3.47 -4.27 -2.05 3.41 -0.94 -4.94 113.62 103.44 1y18 n SER 215 Ca 0.34 -2.51 -0.32 0.00 -0.26 0.00 0.00 58.87 56.12 1y18 n SER 215 Cb 1.20 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.05 -0.13 -4.84 4.04 2.85 0.27 -4.85 115.26 112.65 1y18 n ASN 216 Ca 0.17 -1.19 -0.36 0.00 -0.11 0.00 0.00 54.58 53.08 1y18 n ASN 216 Cb 0.67 -2.02 -0.07 0.00 1.24 0.00 0.00 39.78 39.60 1y18 n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1y18 s THR 217 N -4.02 5.39 -0.13 -0.44 2.01 -0.58 -4.99 115.64 112.89 1y18 s THR 217 Ca 0.20 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 1y18 s THR 217 Cb -0.11 -3.36 0.06 0.00 0.01 0.00 0.00 72.50 69.10 1y18 s THR 217 CO 0.97 0.59 0.17 -0.75 -0.69 0.00 0.00 174.62 174.91 1y18 s LYS 218 N -0.78 0.08 -0.01 4.92 2.20 -1.26 -0.84 119.74 124.03 1y18 s LYS 218 Ca 0.14 0.39 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 1y18 s LYS 218 Cb -0.12 -0.72 -0.01 0.00 -1.51 0.00 0.00 37.83 35.47 1y18 s LYS 218 CO 0.03 -0.45 -0.13 0.08 -0.36 0.00 0.00 175.35 174.52 1y18 s VAL 219 N 2.28 1.03 -0.31 4.02 1.01 0.12 -5.00 120.40 123.55 1y18 s VAL 219 Ca 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1y18 s VAL 219 Cb -0.14 -0.87 0.09 0.00 0.00 0.00 0.00 36.38 35.47 1y18 s VAL 219 CO -0.08 0.30 0.03 -1.81 0.00 0.00 0.00 175.10 173.54 1y18 s ASP 220 N -0.21 4.46 -0.20 3.32 1.01 -1.26 0.37 116.67 124.16 1y18 s ASP 220 Ca 0.03 -1.85 -0.10 0.00 0.71 0.00 0.00 52.55 51.35 1y18 s ASP 220 Cb -0.06 -1.39 -0.05 0.00 1.01 0.00 0.00 42.92 42.43 1y18 s ASP 220 CO -0.00 -0.35 0.12 -0.75 0.21 0.00 0.00 175.17 174.40 1y18 s LYS 221 N 1.14 4.14 -0.32 8.23 2.47 -0.81 -4.92 119.74 129.67 1y18 s LYS 221 Ca 0.07 -0.24 -0.16 0.00 -1.56 0.00 0.00 55.97 54.08 1y18 s LYS 221 Cb -0.19 -3.40 -0.02 0.00 -1.46 0.00 0.00 37.83 32.77 1y18 s LYS 221 CO -0.11 0.27 0.40 0.21 0.16 0.00 0.00 175.35 176.27 1y18 s LYS 222 N 0.43 3.70 -0.27 4.03 2.20 -1.26 -1.37 119.74 127.20 1y18 s LYS 222 Ca 0.07 -0.24 -0.21 0.00 -0.36 0.00 0.00 55.97 55.23 1y18 s LYS 222 Cb -0.11 -3.76 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1y18 s LYS 222 CO -0.01 -0.48 0.67 0.08 -0.36 0.00 0.00 175.35 175.25 1y18 s VAL 223 N 2.11 4.93 0.27 4.02 1.01 -0.39 -5.01 120.40 127.34 1y18 s VAL 223 Ca 0.14 1.13 0.11 0.00 0.00 0.00 0.00 61.98 63.36 1y18 s VAL 223 Cb -0.16 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1y18 s VAL 223 CO 0.12 -0.06 -0.19 -1.61 0.00 0.00 0.00 175.10 173.35 1y18 s GLU 226 N 2.63 1.63 0.14 2.72 2.02 -1.26 -4.43 118.70 122.14 1y18 s GLU 226 Ca 0.28 -1.74 -0.31 0.00 0.02 0.00 0.00 54.97 53.22 1y18 s GLU 226 Cb -0.15 -1.68 -0.08 0.00 0.10 0.00 0.00 34.13 32.31 1y18 s GLU 226 CO 0.10 0.31 1.39 -2.14 0.02 0.00 0.00 175.26 174.94 1y18 s PRO 227 N -3.51 4.32 -0.98 0.39 0.02 -1.26 -4.32 135.00 129.67 1y18 s PRO 227 Ca 0.29 2.10 -0.24 0.00 0.02 0.00 0.00 61.00 63.16 1y18 s PRO 227 Cb -0.04 -3.23 -0.09 0.00 0.02 0.00 0.00 34.50 31.16 1y18 s PRO 227 CO 0.14 -0.42 2.03 0.21 -0.33 0.00 0.00 177.00 178.63 1y18 s LYS 228 N 0.85 2.27 -0.36 5.54 2.20 -1.26 -4.88 119.74 124.10 1y18 s LYS 228 Ca 0.63 -0.42 -0.38 0.00 -0.36 0.00 0.00 55.97 55.44 1y18 s LYS 228 Cb -0.37 -5.06 -0.14 0.00 -1.51 0.00 0.00 37.83 30.74 1y18 s LYS 228 CO 0.32 -3.89 2.04 0.45 -0.36 0.00 0.00 175.35 173.91 1y18 n SER 232 N 15.30 1.95 -0.85 1.43 2.88 -1.26 -5.02 113.62 128.06 1y18 n SER 232 Ca 0.43 0.67 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1y18 n SER 232 Cb 0.46 -1.15 0.09 0.00 -0.75 0.00 0.00 64.21 62.86 1y18 n SER 232 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81