#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whs h ALA -3 N 0.00 1.68 0.00 1.59 0.00 -1.98 0.60 119.26 121.14 1whs h ALA -3 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1whs h ALA -3 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1whs h ALA -3 CO 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 179.25 178.84 1whs h ALA -2 N 1.82 0.94 0.00 0.00 0.00 -2.01 -2.96 119.26 117.04 1whs h ALA -2 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1whs h ALA -2 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1whs h ALA -2 CO -0.00 0.25 -0.28 -0.44 0.00 0.00 0.00 179.25 178.78 1whs h ASP -1 N 0.00 0.00 -3.35 0.00 3.32 -0.05 -3.47 116.42 112.88 1whs h ASP -1 Ca -0.00 -0.07 -0.57 0.00 0.02 0.00 0.00 57.03 56.41 1whs h ASP -1 Cb 0.90 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.56 1whs h ASP -1 CO 0.03 0.03 0.46 0.54 -1.72 0.00 0.00 179.24 178.58 1whs n ARG 0 N -2.41 1.96 -4.03 3.56 1.74 -1.09 -1.22 116.66 115.17 1whs n ARG 0 Ca 0.04 0.69 -0.35 0.00 -0.77 0.00 0.00 57.85 57.46 1whs n ARG 0 Cb 0.46 -2.31 -0.09 0.00 -1.02 0.00 0.00 32.46 29.51 1whs n ARG 0 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1whs s ILE 1 N -1.15 4.89 -0.06 0.55 1.01 -0.58 -4.87 121.20 120.99 1whs s ILE 1 Ca 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.22 1whs s ILE 1 Cb -0.55 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1whs s ILE 1 CO 0.60 0.52 -0.00 0.00 0.00 0.00 0.00 174.94 176.06 1whs h ALA 2 N 6.06 0.00 -2.65 9.38 0.00 -1.94 -3.42 119.26 126.70 1whs h ALA 2 Ca -0.43 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1whs h ALA 2 Cb 1.18 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1whs h ALA 2 CO 0.65 0.00 -0.21 0.50 0.00 0.00 0.00 179.25 180.19 1whs s ARG 3 N -1.31 0.50 0.42 0.00 3.52 -1.26 -5.04 118.95 115.78 1whs s ARG 3 Ca -0.00 0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 56.23 1whs s ARG 3 Cb 0.00 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.55 1whs s ARG 3 CO 0.00 -0.08 0.69 -0.51 -0.81 0.00 0.00 175.30 174.58 1whs s LEU 4 N 0.50 3.79 0.10 -0.88 1.43 -1.26 -4.98 118.68 117.39 1whs s LEU 4 Ca -0.02 0.74 -0.33 0.00 -1.03 0.00 0.00 54.13 53.49 1whs s LEU 4 Cb -0.04 -3.65 -0.12 0.00 0.03 0.00 0.00 46.19 42.41 1whs s LEU 4 CO -0.03 -0.45 1.76 -2.65 0.23 0.00 0.00 176.35 175.21 1whs n PRO 5 N -2.02 2.49 -1.90 1.29 -0.02 -1.26 -1.28 135.00 132.29 1whs n PRO 5 Ca -0.02 0.90 -0.16 0.00 -2.02 0.00 0.00 63.50 62.21 1whs n PRO 5 Cb 0.55 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 1whs n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1whs n GLY 6 N 3.99 0.61 3.56 -1.23 0.00 -1.26 -4.44 105.19 106.42 1whs n GLY 6 Ca 0.18 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1whs n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1whs s GLN 7 N -4.11 3.74 0.84 1.61 0.74 -0.41 -1.72 119.66 120.35 1whs s GLN 7 Ca 0.00 -0.43 -0.15 0.00 0.05 0.00 0.00 55.36 54.83 1whs s GLN 7 Cb 0.00 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 1whs s GLN 7 CO 0.00 -0.33 0.17 -0.35 -0.55 0.00 0.00 175.29 174.23 1whs n PRO 8 N 5.14 0.02 -2.60 1.67 -0.04 -1.26 -4.71 135.00 133.22 1whs n PRO 8 Ca -0.12 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 62.97 1whs n PRO 8 Cb 0.51 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1whs n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whs s ALA 9 N -2.10 3.36 0.22 0.55 0.00 -1.26 -4.99 121.76 117.54 1whs s ALA 9 Ca 0.57 0.76 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1whs s ALA 9 Cb -0.28 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1whs s ALA 9 CO 0.67 -0.04 -0.01 0.14 0.00 0.00 0.00 175.76 176.51 1whs s VAL 10 N -0.82 1.02 -0.33 0.00 -7.23 -1.26 -5.07 120.40 106.70 1whs s VAL 10 Ca 0.45 -2.03 0.10 0.00 -1.81 0.00 0.00 61.98 58.68 1whs s VAL 10 Cb -0.29 -2.27 0.74 0.00 0.56 0.00 0.00 36.38 35.12 1whs s VAL 10 CO 0.36 -0.38 1.80 -0.90 -0.31 0.00 0.00 175.10 175.67 1whs n ASP 11 N -0.38 4.86 -3.99 4.85 5.75 -1.26 -4.96 116.55 121.42 1whs n ASP 11 Ca -0.06 -3.19 -0.09 0.00 -0.01 0.00 0.00 54.79 51.44 1whs n ASP 11 Cb 0.63 -0.75 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 1whs n ASP 11 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1whs s PHE 14 N -2.94 0.44 0.46 2.11 -0.12 -1.26 -4.40 117.98 112.28 1whs s PHE 14 Ca 0.54 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.65 1whs s PHE 14 Cb 0.43 -0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.67 1whs s PHE 14 CO 0.14 -0.60 0.63 -0.51 -0.05 0.00 0.00 175.22 174.82 1whs s ASP 15 N -2.95 5.53 0.02 1.98 1.01 -1.26 -4.96 116.67 116.04 1whs s ASP 15 Ca 0.15 -0.41 -0.12 0.00 0.71 0.00 0.00 52.55 52.87 1whs s ASP 15 Cb 0.05 -0.58 0.01 0.00 1.01 0.00 0.00 42.92 43.42 1whs s ASP 15 CO -0.03 -0.89 0.26 -0.04 0.21 0.00 0.00 175.17 174.67 1whs s MET 16 N -4.45 0.70 0.06 8.23 -1.94 -1.26 -1.26 119.30 119.38 1whs s MET 16 Ca 0.56 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 54.07 1whs s MET 16 Cb -0.10 0.30 -0.02 0.00 2.01 0.00 0.00 34.83 37.02 1whs s MET 16 CO 0.35 -0.21 0.05 0.71 -0.01 0.00 0.00 175.02 175.91 1whs s TYR 17 N -2.06 0.36 -0.16 -0.03 1.51 0.16 -1.52 117.35 115.60 1whs s TYR 17 Ca -0.09 -0.83 -0.29 0.00 -1.01 0.00 0.00 57.07 54.86 1whs s TYR 17 Cb -0.03 -0.26 0.10 0.00 -0.11 0.00 0.00 41.96 41.66 1whs s TYR 17 CO -0.01 -0.41 0.85 -1.54 -1.11 0.00 0.00 175.55 173.33 1whs s SER 18 N -2.72 -0.54 0.00 2.29 1.04 -0.35 -0.08 113.70 113.34 1whs s SER 18 Ca 0.04 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1whs s SER 18 Cb 0.05 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1whs s SER 18 CO -0.09 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1whs n GLY 19 N 1.38 -1.84 3.89 7.32 0.00 -1.15 -4.62 105.19 110.17 1whs n GLY 19 Ca -0.14 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 1whs n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whs s TYR 20 N -2.33 3.34 -0.07 1.61 1.51 -1.26 -1.80 117.35 118.34 1whs s TYR 20 Ca 0.00 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1whs s TYR 20 Cb 0.00 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1whs s TYR 20 CO 0.00 0.51 -0.07 0.42 -1.11 0.00 0.00 175.55 175.30 1whs s ILE 21 N -1.83 0.81 -0.26 2.71 1.01 -0.22 -4.93 121.20 118.50 1whs s ILE 21 Ca 0.33 -0.24 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 1whs s ILE 21 Cb -0.10 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 1whs s ILE 21 CO 0.27 0.30 0.87 -0.89 0.00 0.00 0.00 174.94 175.49 1whs s THR 22 N 1.14 4.78 -0.03 2.92 2.01 -1.26 -0.61 115.64 124.59 1whs s THR 22 Ca -0.07 1.58 0.20 0.00 0.31 0.00 0.00 61.69 63.71 1whs s THR 22 Cb -0.14 -4.17 -0.31 0.00 0.01 0.00 0.00 72.50 67.89 1whs s THR 22 CO -0.01 -0.15 0.43 1.33 -0.69 0.00 0.00 174.62 175.53 1whs n VAL 23 N 5.36 0.01 -3.40 3.82 0.24 0.34 -4.81 118.33 119.88 1whs n VAL 23 Ca 0.07 -0.45 -0.18 0.00 -2.04 0.00 0.00 64.34 61.74 1whs n VAL 23 Cb 0.47 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 1whs n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1whs s ASP 23 N -4.27 1.74 0.08 -1.34 2.15 -0.94 -4.91 116.67 109.17 1whs s ASP 23 Ca -0.07 -0.84 -0.26 0.00 0.43 0.00 0.00 52.55 51.80 1whs s ASP 23 Cb 0.13 0.47 -0.16 0.00 -0.30 0.00 0.00 42.92 43.05 1whs s ASP 23 CO 0.82 -0.38 1.68 -0.08 -0.17 0.00 0.00 175.17 177.03 1whs h GLU 24 N 8.19 -0.29 -0.28 4.34 4.57 -1.87 0.57 114.58 129.80 1whs h GLU 24 Ca -0.12 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1whs h GLU 24 Cb 1.07 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.65 1whs h GLU 24 CO 0.33 -0.18 -0.28 0.78 -1.18 0.00 0.00 179.01 178.49 1whs h GLY 25 N -0.33 -0.21 2.00 1.92 0.00 -1.98 -2.74 103.07 101.74 1whs h GLY 25 Ca -0.03 0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1whs h GLY 25 CO 0.05 -0.21 -0.50 0.00 0.00 0.00 0.00 176.54 175.89 1whs h ALA 26 N 0.75 0.73 -1.00 3.60 0.00 -1.97 -3.48 119.26 117.89 1whs h ALA 26 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1whs h ALA 26 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1whs h ALA 26 CO -0.44 0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1whs n GLY 27 N 1.01 0.91 3.55 0.00 0.00 0.18 -1.96 105.19 108.88 1whs n GLY 27 Ca 0.01 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1whs n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whs s ARG 28 N -4.42 3.87 -0.01 1.61 0.52 0.12 0.72 118.95 121.36 1whs s ARG 28 Ca 0.00 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 1whs s ARG 28 Cb 0.00 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1whs s ARG 28 CO 0.00 -0.12 -0.12 0.45 0.02 0.00 0.00 175.30 175.54 1whs s SER 29 N 1.52 1.38 -0.13 0.23 0.15 -0.16 -0.51 113.70 116.18 1whs s SER 29 Ca 0.06 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 1whs s SER 29 Cb -0.15 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1whs s SER 29 CO 0.07 0.13 -0.06 -0.76 1.20 0.00 0.00 173.24 173.82 1whs s LEU 30 N -0.20 3.15 0.07 3.45 1.02 0.22 -0.14 118.68 126.24 1whs s LEU 30 Ca 0.03 -0.14 -0.18 0.00 0.02 0.00 0.00 54.13 53.86 1whs s LEU 30 Cb -0.05 -1.74 -0.07 0.00 0.02 0.00 0.00 46.19 44.35 1whs s LEU 30 CO -0.00 0.21 0.54 0.12 0.02 0.00 0.00 176.35 177.24 1whs s PHE 31 N 0.14 3.79 0.23 0.29 5.36 -1.26 -1.06 117.98 125.46 1whs s PHE 31 Ca -0.02 1.22 0.04 0.00 -0.96 0.00 0.00 56.93 57.21 1whs s PHE 31 Cb -0.14 -2.46 -0.05 0.00 -0.34 0.00 0.00 43.02 40.03 1whs s PHE 31 CO 0.03 0.59 -0.01 1.52 -1.46 0.00 0.00 175.22 175.89 1whs s TYR 32 N -1.12 1.59 -0.08 10.12 -0.85 -0.75 -1.95 117.35 124.32 1whs s TYR 32 Ca 0.29 -0.90 -0.03 0.00 -0.52 0.00 0.00 57.07 55.91 1whs s TYR 32 Cb -0.19 -0.92 0.04 0.00 0.38 0.00 0.00 41.96 41.28 1whs s TYR 32 CO 0.18 -0.01 0.11 -1.17 -1.52 0.00 0.00 175.55 173.15 1whs s LEU 33 N -3.31 0.05 -0.23 -3.49 2.96 0.45 -2.95 118.68 112.15 1whs s LEU 33 Ca 0.28 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 1whs s LEU 33 Cb 0.05 0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.79 1whs s LEU 33 CO 0.09 -0.26 0.01 -0.22 -1.32 0.00 0.00 176.35 174.64 1whs s LEU 34 N 2.23 3.14 -0.22 -0.68 2.96 0.89 0.01 118.68 127.01 1whs s LEU 34 Ca 0.04 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1whs s LEU 34 Cb -0.13 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1whs s LEU 34 CO -0.05 -0.02 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.76 1whs s GLN 35 N 1.51 3.01 0.38 1.98 -0.21 0.50 -0.67 119.66 126.17 1whs s GLN 35 Ca 0.06 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 1whs s GLN 35 Cb -0.15 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 1whs s GLN 35 CO -0.00 -0.29 0.61 -1.21 -2.12 0.00 0.00 175.29 172.27 1whs s GLU 36 N 1.35 3.50 0.40 2.91 2.02 -0.39 -0.48 118.70 128.00 1whs s GLU 36 Ca 0.03 -0.21 -0.19 0.00 0.02 0.00 0.00 54.97 54.61 1whs s GLU 36 Cb -0.15 -2.59 -0.10 0.00 0.10 0.00 0.00 34.13 31.38 1whs s GLU 36 CO -0.07 0.06 0.89 0.00 0.02 0.00 0.00 175.26 176.17 1whs s ALA 37 N -2.42 3.12 0.79 5.21 0.00 -1.25 -4.43 121.76 122.78 1whs s ALA 37 Ca 0.42 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1whs s ALA 37 Cb -0.10 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.04 1whs s ALA 37 CO 0.38 0.18 1.10 -1.25 0.00 0.00 0.00 175.76 176.18 1whs s PRO 38 N -3.12 2.08 0.31 0.00 0.04 -1.26 -4.76 135.00 128.29 1whs s PRO 38 Ca 0.60 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1whs s PRO 38 Cb -0.09 -1.87 0.83 0.00 0.04 0.00 0.00 34.50 33.41 1whs s PRO 38 CO 0.14 -1.79 1.66 0.93 0.04 0.00 0.00 177.00 177.98 1whs h GLU 39 N -1.17 0.26 0.00 4.56 5.08 -1.96 0.37 114.58 121.72 1whs h GLU 39 Ca -0.44 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1whs h GLU 39 Cb 1.24 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1whs h GLU 39 CO 0.50 0.17 -0.01 0.38 -1.00 0.00 0.00 179.01 179.05 1whs h ASP 40 N 0.27 0.00 0.40 1.42 2.03 -1.95 -2.02 116.42 116.57 1whs h ASP 40 Ca 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.91 1whs h ASP 40 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1whs h ASP 40 CO -0.63 0.01 -0.77 0.00 -1.03 0.00 0.00 179.24 176.83 1whs n ALA 41 N -2.11 3.71 -1.82 4.15 0.00 0.13 -4.97 120.51 119.60 1whs n ALA 41 Ca -0.01 -0.41 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1whs n ALA 41 Cb 0.19 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1whs n ALA 41 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1whs s GLN 42 N -3.07 4.09 -0.26 0.00 -1.52 -0.76 -3.39 119.66 114.74 1whs s GLN 42 Ca 0.08 1.10 -0.24 0.00 -1.95 0.00 0.00 55.36 54.34 1whs s GLN 42 Cb 0.16 -2.16 -0.00 0.00 -0.22 0.00 0.00 33.01 30.79 1whs s GLN 42 CO 0.77 -0.16 0.83 -1.25 -0.25 0.00 0.00 175.29 175.23 1whs s PRO 43 N -3.45 4.14 0.39 2.91 0.04 -1.26 -5.04 135.00 132.73 1whs s PRO 43 Ca 0.62 0.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 1whs s PRO 43 Cb -0.10 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1whs s PRO 43 CO 0.19 -0.56 0.62 0.00 0.04 0.00 0.00 177.00 177.29 1whs s ALA 44 N 2.89 3.67 1.12 8.56 0.00 -1.22 -5.06 121.76 131.72 1whs s ALA 44 Ca 0.35 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1whs s ALA 44 Cb -0.15 -2.19 0.26 0.00 0.00 0.00 0.00 23.12 21.04 1whs s ALA 44 CO 0.08 -0.17 1.05 -2.14 0.00 0.00 0.00 175.76 174.59 1whs s PRO 45 N -4.44 -0.58 -0.26 0.00 0.02 -1.26 -4.49 135.00 123.98 1whs s PRO 45 Ca 0.43 0.97 -0.06 0.00 0.02 0.00 0.00 61.00 62.36 1whs s PRO 45 Cb -0.10 -1.58 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 1whs s PRO 45 CO 0.38 -3.54 0.05 -1.17 -0.33 0.00 0.00 177.00 172.39 1whs s LEU 46 N -7.11 3.48 -0.21 -5.54 2.96 -0.28 0.26 118.68 112.24 1whs s LEU 46 Ca 0.68 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1whs s LEU 46 Cb -0.25 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1whs s LEU 46 CO 0.63 -0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.73 1whs s VAL 47 N 1.55 2.22 -0.31 1.68 1.01 0.13 -1.23 120.40 125.45 1whs s VAL 47 Ca 0.05 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 1whs s VAL 47 Cb -0.16 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1whs s VAL 47 CO 0.02 0.31 0.87 -0.22 0.00 0.00 0.00 175.10 176.09 1whs s LEU 48 N 1.24 4.05 -0.17 3.92 2.96 0.16 -0.28 118.68 130.56 1whs s LEU 48 Ca -0.00 0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 54.64 1whs s LEU 48 Cb -0.16 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 1whs s LEU 48 CO -0.09 -0.69 -0.00 0.86 -1.32 0.00 0.00 176.35 175.11 1whs s TRP 49 N 3.15 3.10 -0.07 5.38 -0.11 0.56 -0.67 118.94 130.28 1whs s TRP 49 Ca 0.36 -0.18 0.02 0.00 1.22 0.00 0.00 56.10 57.52 1whs s TRP 49 Cb -0.14 -2.01 0.02 0.00 -1.50 0.00 0.00 33.47 29.84 1whs s TRP 49 CO 0.13 0.02 -0.11 -0.51 -4.62 0.00 0.00 176.95 171.86 1whs s LEU 50 N 0.40 1.54 0.58 5.86 1.43 -0.12 -3.16 118.68 125.20 1whs s LEU 50 Ca -0.01 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1whs s LEU 50 Cb -0.14 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.32 1whs s LEU 50 CO 0.02 -0.00 0.82 0.20 0.23 0.00 0.00 176.35 177.61 1whs s ASN 51 N 0.88 5.22 0.00 2.29 -0.87 -1.26 -2.04 114.94 119.16 1whs s ASN 51 Ca -0.11 0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 1whs s ASN 51 Cb -0.15 -0.95 0.00 0.00 -0.02 0.00 0.00 41.25 40.13 1whs s ASN 51 CO 0.01 -1.21 0.00 0.61 -2.57 0.00 0.00 177.10 173.94 1whs n GLY 52 N -2.44 0.85 0.00 0.66 0.00 -1.22 -4.39 105.19 98.66 1whs n GLY 52 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1whs n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whs n GLY 53 N 5.00 1.74 3.76 -0.02 0.00 -1.26 -0.46 105.19 113.95 1whs n GLY 53 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1whs n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whs s PRO 54 N 0.00 2.94 0.00 1.61 0.04 -1.26 -4.81 135.00 133.52 1whs s PRO 54 Ca 0.00 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1whs s PRO 54 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1whs s PRO 54 CO 0.00 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1whs n GLY 55 N 0.17 0.98 3.84 0.56 0.00 -1.12 -5.10 105.19 104.53 1whs n GLY 55 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1whs n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whs s SER 57 N -1.85 6.51 0.53 0.00 0.15 -1.26 -4.48 113.70 113.30 1whs s SER 57 Ca 0.25 0.61 0.20 0.00 0.70 0.00 0.00 55.95 57.71 1whs s SER 57 Cb -0.12 -2.24 1.36 0.00 -1.71 0.00 0.00 66.02 63.30 1whs s SER 57 CO 0.16 -0.02 2.10 0.28 1.20 0.00 0.00 173.24 176.96 1whs h SER 58 N 7.03 0.00 -0.01 5.45 0.02 -1.89 -1.72 113.55 122.43 1whs h SER 58 Ca -0.38 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.46 1whs h SER 58 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1whs h SER 58 CO 0.74 0.00 -0.41 0.58 -1.14 0.00 0.00 176.83 176.60 1whs h VAL 58 N 0.00 1.48 -0.03 2.27 2.07 -1.90 0.31 116.25 120.44 1whs h VAL 58 Ca 0.09 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 65.69 1whs h VAL 58 Cb 0.39 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1whs h VAL 58 CO -0.00 0.56 -0.24 0.00 0.02 0.00 0.00 177.57 177.91 1whs h ALA 59 N 0.31 -0.29 -3.00 1.67 0.00 -1.76 -1.17 119.26 115.02 1whs h ALA 59 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1whs h ALA 59 Cb 1.13 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1whs h ALA 59 CO 0.08 -0.73 0.00 0.66 0.00 0.00 0.00 179.25 179.26 1whs n TYR 60 N -5.36 0.00 -0.28 0.00 4.01 -0.72 -3.57 117.16 111.24 1whs n TYR 60 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.60 1whs n TYR 60 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 1whs n TYR 60 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1whs h GLY 61 N 0.00 -0.63 1.10 2.72 0.00 -1.56 0.56 103.07 105.26 1whs h GLY 61 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 47.33 47.83 1whs h GLY 61 CO 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 176.54 176.02 1whs h ALA 62 N 0.53 0.50 0.00 3.60 0.00 -0.91 -0.14 119.26 122.83 1whs h ALA 62 Ca 0.17 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1whs h ALA 62 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1whs h ALA 62 CO -0.78 0.63 -1.82 0.43 0.00 0.00 0.00 179.25 177.71 1whs n SER 63 N -4.08 0.25 -0.30 0.00 7.64 -0.45 -3.28 113.62 113.41 1whs n SER 63 Ca -0.03 0.10 0.01 0.00 1.01 0.00 0.00 58.87 59.96 1whs n SER 63 Cb 0.57 1.33 0.01 0.00 -1.01 0.00 0.00 64.21 65.10 1whs n SER 63 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1whs n GLU 64 N -2.50 0.20 0.00 1.43 0.28 0.19 -4.21 120.64 116.03 1whs n GLU 64 Ca -0.09 -0.98 0.00 0.00 -0.16 0.00 0.00 57.16 55.93 1whs n GLU 64 Cb 0.70 -0.59 0.00 0.00 1.43 0.00 0.00 31.44 32.99 1whs n GLU 64 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1whs n GLU 65 N -0.12 0.00 0.00 3.44 1.02 -0.82 -4.95 120.64 119.21 1whs n GLU 65 Ca 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1whs n GLU 65 Cb 0.62 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.41 1whs n GLU 65 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1whs n LEU 66 N 0.00 0.48 -4.55 -4.62 -0.00 -0.19 -4.92 117.00 103.21 1whs n LEU 66 Ca 0.00 0.05 -0.31 0.00 -0.00 0.00 0.00 56.01 55.75 1whs n LEU 66 Cb 0.00 -0.27 0.18 0.00 -0.00 0.00 0.00 43.42 43.33 1whs n LEU 66 CO 0.00 0.11 0.38 0.61 -0.00 0.00 0.00 177.39 178.49 1whs n GLY 67 N 1.45 -1.22 0.24 1.47 0.00 -0.47 -0.96 105.19 105.70 1whs n GLY 67 Ca 0.08 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.35 1whs n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whs h ALA 68 N -2.00 1.64 -2.19 4.61 0.00 -1.90 -3.42 119.26 116.00 1whs h ALA 68 Ca -0.48 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 53.91 1whs h ALA 68 Cb 1.29 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1whs h ALA 68 CO 0.41 0.19 -0.65 -0.06 0.00 0.00 0.00 179.25 179.14 1whs s PHE 69 N -4.59 1.59 -0.02 0.00 0.08 -1.26 0.60 117.98 114.37 1whs s PHE 69 Ca -0.04 -0.93 0.06 0.00 0.12 0.00 0.00 56.93 56.14 1whs s PHE 69 Cb 0.15 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 1whs s PHE 69 CO 0.67 -0.04 -0.20 1.03 -0.10 0.00 0.00 175.22 176.57 1whs s ARG 70 N -3.87 1.76 0.01 0.44 1.81 0.23 -4.48 118.95 114.86 1whs s ARG 70 Ca 0.29 -0.73 -0.27 0.00 -1.72 0.00 0.00 55.73 53.30 1whs s ARG 70 Cb 0.06 -1.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.86 1whs s ARG 70 CO 0.09 0.41 0.84 0.08 -0.68 0.00 0.00 175.30 176.04 1whs s VAL 71 N -0.38 4.82 0.84 3.52 1.01 -1.26 -0.65 120.40 128.30 1whs s VAL 71 Ca 0.05 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1whs s VAL 71 Cb -0.09 -4.18 0.10 0.00 0.00 0.00 0.00 36.38 32.21 1whs s VAL 71 CO -0.00 0.27 1.09 -0.54 0.00 0.00 0.00 175.10 175.93 1whs s LYS 72 N 0.46 1.70 0.43 2.72 1.02 0.22 -4.86 119.74 121.43 1whs s LYS 72 Ca 0.43 1.02 -0.25 0.00 0.02 0.00 0.00 55.97 57.19 1whs s LYS 72 Cb -0.20 -1.84 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 1whs s LYS 72 CO 0.24 -1.99 1.25 -2.30 -0.92 0.00 0.00 175.35 171.64 1whs n PRO 73 N -3.74 1.88 -1.70 -1.68 -0.02 -1.26 -0.57 135.00 127.91 1whs n PRO 73 Ca 0.08 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1whs n PRO 73 Cb 0.54 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1whs n PRO 73 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1whs n ARG 74 N 0.01 -1.02 -1.99 -0.52 -4.01 -1.26 -2.57 116.66 105.29 1whs n ARG 74 Ca 0.07 0.88 -0.11 0.00 -1.04 0.00 0.00 57.85 57.65 1whs n ARG 74 Cb 0.40 -5.04 -0.02 0.00 -3.04 0.00 0.00 32.46 24.76 1whs n ARG 74 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1whs n GLY 75 N -1.18 0.14 0.18 2.89 0.00 0.27 -4.82 105.19 102.67 1whs n GLY 75 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1whs n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whs h ALA 76 N 0.97 1.23 -2.27 4.61 0.00 -1.44 -3.47 119.26 118.90 1whs h ALA 76 Ca -0.25 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1whs h ALA 76 Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1whs h ALA 76 CO 0.33 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1whs n GLY 76 N -0.22 1.34 3.18 0.00 0.00 -1.26 -4.77 105.19 103.46 1whs n GLY 76 Ca -0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 1whs n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whs s LEU 77 N 0.00 2.25 0.06 0.99 1.43 -0.70 0.71 118.68 123.43 1whs s LEU 77 Ca 0.00 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1whs s LEU 77 Cb 0.00 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1whs s LEU 77 CO 0.00 -0.02 -0.13 0.68 0.23 0.00 0.00 176.35 177.10 1whs s VAL 78 N -1.14 1.05 0.23 -1.59 -7.23 0.18 -4.40 120.40 107.49 1whs s VAL 78 Ca 0.00 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 1whs s VAL 78 Cb -0.09 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 35.75 1whs s VAL 78 CO 0.02 -0.22 1.06 -0.22 -0.31 0.00 0.00 175.10 175.43 1whs s LEU 79 N -1.66 4.55 -0.52 1.32 2.96 -1.26 0.77 118.68 124.85 1whs s LEU 79 Ca -0.03 2.11 -0.18 0.00 -0.22 0.00 0.00 54.13 55.81 1whs s LEU 79 Cb -0.10 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1whs s LEU 79 CO 0.02 -0.10 0.59 0.21 -1.32 0.00 0.00 176.35 175.75 1whs s ASN 80 N -0.62 6.20 0.60 3.68 2.47 0.20 -4.77 114.94 122.70 1whs s ASN 80 Ca 0.46 -1.11 0.29 0.00 0.42 0.00 0.00 52.86 52.91 1whs s ASN 80 Cb -0.29 -2.27 1.50 0.00 -1.45 0.00 0.00 41.25 38.74 1whs s ASN 80 CO 0.36 -0.89 1.90 -0.08 -3.72 0.00 0.00 177.10 174.68 1whs h GLU 81 N 8.98 0.00 -0.33 0.43 4.81 -1.93 -0.89 114.58 125.65 1whs h GLU 81 Ca -0.28 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1whs h GLU 81 Cb 1.10 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1whs h GLU 81 CO 0.98 0.00 -0.00 0.66 -0.73 0.00 0.00 179.01 179.91 1whs n TYR 82 N -3.56 1.08 -1.67 0.92 4.01 -1.26 -5.03 117.16 111.65 1whs n TYR 82 Ca 0.06 -1.22 -0.40 0.00 -0.16 0.00 0.00 57.90 56.18 1whs n TYR 82 Cb 0.60 -0.41 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1whs n TYR 82 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1whs n ARG 83 N -0.81 1.52 0.26 -0.72 1.85 -0.34 -4.87 116.66 113.55 1whs n ARG 83 Ca 0.28 0.55 0.17 0.00 -1.00 0.00 0.00 57.85 57.85 1whs n ARG 83 Cb 0.98 -2.28 0.71 0.00 -1.05 0.00 0.00 32.46 30.82 1whs n ARG 83 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 1whs h TRP 84 N 1.49 0.00 0.00 2.89 4.06 -1.33 -1.94 115.95 121.11 1whs h TRP 84 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 1whs h TRP 84 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.48 1whs h TRP 84 CO 0.44 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.59 1whs n ASN 85 N -2.95 0.00 0.17 -3.49 6.94 -1.26 -1.09 115.26 113.58 1whs n ASN 85 Ca 0.00 -1.37 0.07 0.00 -0.02 0.00 0.00 54.58 53.26 1whs n ASN 85 Cb 0.27 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.77 1whs n ASN 85 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1whs h LYS 86 N 0.00 0.00 0.00 -3.83 1.57 -1.68 -3.32 116.57 109.31 1whs h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1whs h LYS 86 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1whs h LYS 86 CO 0.00 0.25 -0.03 1.55 -0.57 0.00 0.00 179.45 180.66 1whs n VAL 87 N -3.13 0.00 -3.77 0.50 3.14 -0.25 -4.72 118.33 110.10 1whs n VAL 87 Ca 0.02 -0.40 -0.10 0.00 -2.96 0.00 0.00 64.34 60.91 1whs n VAL 87 Cb 0.64 0.98 -0.05 0.00 -1.06 0.00 0.00 33.84 34.36 1whs n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1whs s ALA 88 N -0.85 -0.70 -0.39 1.55 0.00 -0.90 -4.65 121.76 115.82 1whs s ALA 88 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1whs s ALA 88 Cb 0.00 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1whs s ALA 88 CO 0.00 -0.72 0.89 -0.80 0.00 0.00 0.00 175.76 175.13 1whs s ASN 89 N -2.88 6.60 -0.25 0.00 0.01 0.14 -3.76 114.94 114.80 1whs s ASN 89 Ca 0.09 0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 52.56 1whs s ASN 89 Cb 0.01 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 1whs s ASN 89 CO -0.04 -0.88 0.12 -0.69 -1.51 0.00 0.00 177.10 174.09 1whs s VAL 90 N 3.46 4.83 -0.32 1.60 1.01 0.36 0.22 120.40 131.56 1whs s VAL 90 Ca 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1whs s VAL 90 Cb -0.12 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.05 1whs s VAL 90 CO 0.20 0.33 0.05 -0.22 0.00 0.00 0.00 175.10 175.46 1whs s LEU 91 N 1.38 4.10 -0.21 3.92 2.96 0.62 -0.37 118.68 131.09 1whs s LEU 91 Ca 0.06 -1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 52.56 1whs s LEU 91 Cb -0.15 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1whs s LEU 91 CO 0.06 -0.29 0.47 -0.36 -1.32 0.00 0.00 176.35 174.91 1whs s PHE 92 N 1.31 3.35 -0.21 5.38 0.08 0.10 -0.32 117.98 127.68 1whs s PHE 92 Ca -0.03 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.71 1whs s PHE 92 Cb -0.20 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1whs s PHE 92 CO 0.00 -0.10 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.71 1whs s LEU 93 N 1.64 2.59 -0.41 -0.37 2.96 -1.19 -0.42 118.68 123.48 1whs s LEU 93 Ca 0.22 -0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 53.09 1whs s LEU 93 Cb -0.15 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.99 1whs s LEU 93 CO 0.09 -0.05 1.34 -1.81 -1.32 0.00 0.00 176.35 174.60 1whs s ASP 94 N 1.30 6.45 0.01 3.68 1.01 -0.82 -4.20 116.67 124.09 1whs s ASP 94 Ca 0.03 0.80 -0.11 0.00 0.71 0.00 0.00 52.55 53.98 1whs s ASP 94 Cb -0.15 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.25 1whs s ASP 94 CO -0.09 -1.35 0.22 -0.55 0.21 0.00 0.00 175.17 173.61 1whs s SER 95 N 3.46 -0.05 0.78 0.27 0.15 -1.26 -4.44 113.70 112.61 1whs s SER 95 Ca 0.58 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.03 1whs s SER 95 Cb -0.13 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.55 1whs s SER 95 CO 0.31 -0.46 0.59 -0.81 1.20 0.00 0.00 173.24 174.07 1whs n PRO 96 N 1.14 -0.20 -1.67 5.44 -0.04 -1.26 -4.60 135.00 133.80 1whs n PRO 96 Ca -0.21 -1.20 -0.54 0.00 -0.04 0.00 0.00 63.50 61.51 1whs n PRO 96 Cb 0.57 -0.51 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 1whs n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whs n ALA 97 N -3.19 -0.15 0.00 0.55 0.00 -1.26 -0.68 120.51 115.77 1whs n ALA 97 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1whs n ALA 97 Cb 0.29 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1whs n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1whs n GLY 98 N 3.72 1.75 3.71 0.00 0.00 -0.88 -4.69 105.19 108.79 1whs n GLY 98 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1whs n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1whs s VAL 99 N -2.14 5.31 0.00 1.61 1.01 0.15 -4.85 120.40 121.49 1whs s VAL 99 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1whs s VAL 99 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1whs s VAL 99 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1whs n GLY 100 N 3.62 1.48 0.00 4.51 0.00 -1.26 -1.40 105.19 112.14 1whs n GLY 100 Ca -0.12 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1whs n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1whs n PHE 101 N 0.00 0.00 -1.44 1.61 3.72 -1.26 -5.04 117.46 115.05 1whs n PHE 101 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1whs n PHE 101 Cb 0.00 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1whs n PHE 101 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1whs s SER 102 N -1.25 4.36 0.17 4.37 0.01 -0.49 -4.59 113.70 116.27 1whs s SER 102 Ca 0.00 2.20 -0.13 0.00 1.31 0.00 0.00 55.95 59.33 1whs s SER 102 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 1whs s SER 102 CO 0.00 -2.15 0.37 -0.72 0.41 0.00 0.00 173.24 171.16 1whs s TYR 103 N -2.22 0.15 0.01 2.43 -0.85 0.80 -2.07 117.35 115.59 1whs s TYR 103 Ca 0.70 -0.50 0.07 0.00 -0.52 0.00 0.00 57.07 56.82 1whs s TYR 103 Cb -0.25 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 1whs s TYR 103 CO 0.46 -0.77 -0.21 -0.08 -1.52 0.00 0.00 175.55 173.43 1whs s THR 104 N -3.91 1.64 0.06 -3.49 -1.32 -1.26 -0.98 115.64 106.38 1whs s THR 104 Ca 0.12 -1.02 -0.03 0.00 -1.21 0.00 0.00 61.69 59.55 1whs s THR 104 Cb 0.02 -1.39 -0.27 0.00 -1.51 0.00 0.00 72.50 69.34 1whs s THR 104 CO -0.03 0.34 1.09 0.78 -2.21 0.00 0.00 174.62 174.59 1whs h ASN 105 N 5.28 0.37 -2.69 8.08 4.21 0.42 -3.41 115.58 127.83 1whs h ASN 105 Ca -0.41 -0.42 -0.64 0.00 1.21 0.00 0.00 56.30 56.05 1whs h ASN 105 Cb 1.15 -0.12 -0.15 0.00 -1.12 0.00 0.00 38.32 38.08 1whs h ASN 105 CO 0.46 1.33 0.50 -0.89 -1.29 0.00 0.00 177.43 177.54 1whs s THR 106 N -2.65 4.37 0.49 2.81 2.01 -0.83 -4.93 115.64 116.91 1whs s THR 106 Ca -0.04 -0.41 0.32 0.00 0.31 0.00 0.00 61.69 61.87 1whs s THR 106 Cb 0.07 -4.66 0.32 0.00 0.01 0.00 0.00 72.50 68.25 1whs s THR 106 CO 0.87 -1.42 1.99 0.77 -0.69 0.00 0.00 174.62 176.14 1whs h SER 107 N 9.52 0.00 1.37 3.53 4.64 -1.92 0.30 113.55 130.99 1whs h SER 107 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1whs h SER 107 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1whs h SER 107 CO 1.17 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.59 1whs n SER 108 N -2.79 0.76 -0.31 4.97 3.41 -1.26 -3.64 113.62 114.77 1whs n SER 108 Ca -0.02 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 1whs n SER 108 Cb 0.22 -0.78 0.33 0.00 -0.26 0.00 0.00 64.21 63.72 1whs n SER 108 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1whs h ASP 109 N 0.00 0.30 0.06 4.04 3.32 -1.34 0.29 116.42 123.09 1whs h ASP 109 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1whs h ASP 109 Cb 0.69 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1whs h ASP 109 CO 0.00 -0.05 0.00 0.40 -1.72 0.00 0.00 179.24 177.87 1whs h ILE 110 N 0.36 0.00 -0.04 0.35 2.04 -1.76 -2.13 117.51 116.32 1whs h ILE 110 Ca 0.59 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.42 1whs h ILE 110 Cb 1.18 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1whs h ILE 110 CO -0.57 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.36 1whs n TYR 111 N -2.57 0.05 -0.45 1.37 4.02 0.10 -4.62 117.16 115.06 1whs n TYR 111 Ca -0.02 -0.16 0.02 0.00 -0.01 0.00 0.00 57.90 57.73 1whs n TYR 111 Cb 0.06 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.39 1whs n TYR 111 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1whs n THR 112 N 0.12 0.91 -1.06 -0.72 -2.24 -0.82 -5.08 114.28 105.38 1whs n THR 112 Ca 0.03 -0.97 -0.34 0.00 -2.27 0.00 0.00 64.05 60.50 1whs n THR 112 Cb 0.17 0.47 0.12 0.00 -2.10 0.00 0.00 70.33 69.00 1whs n THR 112 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1whs n SER 112 N -0.53 0.49 -3.57 3.42 7.64 -1.09 -5.01 113.62 114.96 1whs n SER 112 Ca 0.03 0.55 -0.03 0.00 1.01 0.00 0.00 58.87 60.43 1whs n SER 112 Cb 0.38 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1whs n SER 112 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whs s GLY 112 N -2.08 -0.11 0.15 0.23 0.00 -1.26 -5.04 107.32 99.21 1whs s GLY 112 Ca 0.71 -0.00 -0.14 0.00 0.00 0.00 0.00 44.72 45.28 1whs s GLY 112 CO 0.53 1.13 1.68 -0.55 0.00 0.00 0.00 173.10 175.90 1whs h ASP 112 N 2.00 0.69 0.44 1.64 5.19 -1.98 -2.06 116.42 122.34 1whs h ASP 112 Ca -0.26 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1whs h ASP 112 Cb 1.22 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1whs h ASP 112 CO 0.30 0.70 -0.21 -1.13 -3.12 0.00 0.00 179.24 175.78 1whs h ASN 113 N 0.64 -0.50 -0.39 6.45 -0.73 -1.99 -0.33 115.58 118.73 1whs h ASN 113 Ca 0.16 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1whs h ASN 113 Cb 0.25 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 1whs h ASN 113 CO -0.01 -0.32 0.25 -0.09 -0.37 0.00 0.00 177.43 176.89 1whs h ARG 114 N -0.65 0.53 -0.68 6.67 2.43 -1.96 0.13 114.38 120.85 1whs h ARG 114 Ca -0.06 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1whs h ARG 114 Cb 0.49 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1whs h ARG 114 CO 0.10 0.37 0.37 1.15 -1.51 0.00 0.00 179.97 180.45 1whs h THR 115 N 0.53 0.94 -0.10 0.20 2.02 -1.33 0.46 112.91 115.63 1whs h THR 115 Ca 0.14 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1whs h THR 115 Cb -0.03 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1whs h THR 115 CO -0.03 0.12 0.01 0.00 0.37 0.00 0.00 175.52 176.00 1whs h ALA 116 N 1.37 0.13 -0.60 6.16 0.00 -0.43 -2.41 119.26 123.48 1whs h ALA 116 Ca 0.31 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1whs h ALA 116 Cb 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1whs h ALA 116 CO -0.20 -0.21 0.39 0.45 0.00 0.00 0.00 179.25 179.68 1whs h HIS 117 N -0.07 0.74 -0.29 0.00 -0.00 0.02 -1.53 115.15 114.01 1whs h HIS 117 Ca 0.03 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.37 1whs h HIS 117 Cb 0.30 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1whs h HIS 117 CO 0.02 0.45 -0.03 -0.44 -0.00 0.00 0.00 177.93 177.93 1whs h ASP 118 N 0.79 0.42 -0.40 2.45 5.19 -0.08 -1.92 116.42 122.87 1whs h ASP 118 Ca 0.22 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 1whs h ASP 118 Cb -0.07 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1whs h ASP 118 CO -0.06 0.52 -0.24 0.28 -3.12 0.00 0.00 179.24 176.61 1whs h SER 119 N 0.43 0.94 0.06 6.45 0.02 -0.88 0.15 113.55 120.72 1whs h SER 119 Ca 0.09 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1whs h SER 119 Cb 0.34 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1whs h SER 119 CO 0.01 1.13 -0.03 0.22 -1.14 0.00 0.00 176.83 177.02 1whs h TYR 120 N 0.78 -0.07 0.06 3.45 3.20 -1.06 0.51 116.97 123.84 1whs h TYR 120 Ca 0.10 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1whs h TYR 120 Cb 0.80 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 1whs h TYR 120 CO 0.05 -0.00 -0.36 0.00 -1.64 0.00 0.00 178.16 176.21 1whs h ALA 121 N 0.82 -0.58 -0.75 1.82 0.00 -1.09 -0.69 119.26 118.78 1whs h ALA 121 Ca -0.01 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1whs h ALA 121 Cb 0.10 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 1whs h ALA 121 CO 0.01 -0.90 -0.22 0.35 0.00 0.00 0.00 179.25 178.50 1whs h PHE 122 N -0.55 -0.50 0.34 0.00 3.57 -0.47 -1.20 116.94 118.13 1whs h PHE 122 Ca 0.04 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1whs h PHE 122 Cb 0.61 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1whs h PHE 122 CO -0.34 -0.34 -0.48 -0.07 -2.23 0.00 0.00 178.31 174.85 1whs h LEU 123 N -0.02 -1.35 -0.71 0.59 3.38 -0.04 0.30 115.31 117.46 1whs h LEU 123 Ca 0.35 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.58 1whs h LEU 123 Cb 0.56 0.47 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 1whs h LEU 123 CO -0.79 -0.58 -0.20 0.00 0.09 0.00 0.00 178.44 176.96 1whs h ALA 124 N -0.85 0.41 -0.52 1.53 0.00 -0.20 -0.60 119.26 119.04 1whs h ALA 124 Ca -0.04 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1whs h ALA 124 Cb 0.77 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1whs h ALA 124 CO -0.13 -0.45 0.04 0.87 0.00 0.00 0.00 179.25 179.58 1whs h LYS 125 N -0.02 0.89 -0.53 0.00 6.56 -1.01 -2.72 116.57 119.74 1whs h LYS 125 Ca 0.33 -0.27 0.05 0.00 -1.06 0.00 0.00 60.65 59.70 1whs h LYS 125 Cb 0.53 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.05 1whs h LYS 125 CO -0.74 0.90 0.27 2.35 -2.06 0.00 0.00 179.45 180.17 1whs h TRP 126 N 0.77 0.50 -0.31 -1.35 7.01 0.10 -1.20 115.95 121.47 1whs h TRP 126 Ca 0.15 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 1whs h TRP 126 Cb 0.47 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 1whs h TRP 126 CO 0.04 0.24 0.01 0.74 -2.79 0.00 0.00 178.44 176.68 1whs h PHE 127 N 0.52 0.48 -0.24 2.65 0.04 -1.18 0.29 116.94 119.51 1whs h PHE 127 Ca 0.23 -0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.85 1whs h PHE 127 Cb 0.14 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1whs h PHE 127 CO -0.10 0.47 -0.35 0.93 -0.60 0.00 0.00 178.31 178.67 1whs h GLU 128 N 0.46 0.51 0.00 1.51 4.39 -0.99 -1.34 114.58 119.12 1whs h GLU 128 Ca 0.10 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 1whs h GLU 128 Cb 0.28 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1whs h GLU 128 CO 0.01 0.79 -0.55 -0.09 -1.16 0.00 0.00 179.01 178.01 1whs h ARG 129 N 0.43 0.00 -2.25 2.33 2.43 -0.44 -3.33 114.38 113.56 1whs h ARG 129 Ca 0.05 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.63 1whs h ARG 129 Cb 0.81 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 29.94 1whs h ARG 129 CO 0.07 0.54 -0.68 1.19 -1.51 0.00 0.00 179.97 179.58 1whs n PHE 130 N -3.23 3.65 0.30 2.20 3.01 0.96 -4.24 117.46 120.11 1whs n PHE 130 Ca 0.02 -4.01 0.19 0.00 1.01 0.00 0.00 57.45 54.66 1whs n PHE 130 Cb 0.75 -0.50 1.02 0.00 -0.01 0.00 0.00 39.48 40.75 1whs n PHE 130 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1whs h PRO 131 N 3.21 0.00 0.00 -1.08 0.13 -1.37 0.19 132.00 133.08 1whs h PRO 131 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1whs h PRO 131 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1whs h PRO 131 CO 0.80 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1whs n HIS 132 N -3.31 0.00 0.97 1.56 1.44 -1.26 -1.65 115.22 112.97 1whs n HIS 132 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 1whs n HIS 132 Cb 0.18 -0.26 -0.01 0.00 0.12 0.00 0.00 29.99 30.02 1whs n HIS 132 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1whs n TYR 133 N -1.26 0.01 -1.73 -1.40 4.01 0.06 -4.87 117.16 111.97 1whs n TYR 133 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 1whs n TYR 133 Cb 0.14 -0.09 0.06 0.00 -0.31 0.00 0.00 39.34 39.13 1whs n TYR 133 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1whs n LYS 134 N -1.52 1.37 0.00 -0.72 5.02 -0.66 -2.21 118.16 119.43 1whs n LYS 134 Ca 0.04 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1whs n LYS 134 Cb 0.34 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.81 1whs n LYS 134 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1whs n TYR 137 N -1.51 0.00 -1.72 2.13 4.01 0.36 -4.97 117.16 115.46 1whs n TYR 137 Ca 0.13 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.50 1whs n TYR 137 Cb 0.46 -0.29 0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1whs n TYR 137 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1whs n ARG 138 N -1.85 1.17 -1.84 -0.72 3.00 -0.94 -4.55 116.66 110.93 1whs n ARG 138 Ca 0.00 0.45 -0.42 0.00 -0.00 0.00 0.00 57.85 57.88 1whs n ARG 138 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 32.46 29.94 1whs n ARG 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1whs s ASP 139 N -1.29 6.50 -0.04 6.15 1.01 -1.26 -3.28 116.67 124.46 1whs s ASP 139 Ca 0.80 2.70 0.05 0.00 0.71 0.00 0.00 52.55 56.81 1whs s ASP 139 Cb -0.39 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 40.95 1whs s ASP 139 CO 0.42 -0.90 -0.17 0.12 0.21 0.00 0.00 175.17 174.85 1whs s PHE 140 N 1.50 1.69 0.04 4.23 5.36 0.47 -1.12 117.98 130.15 1whs s PHE 140 Ca 0.73 -0.45 0.04 0.00 -0.96 0.00 0.00 56.93 56.30 1whs s PHE 140 Cb -0.45 -1.13 -0.02 0.00 -0.34 0.00 0.00 43.02 41.08 1whs s PHE 140 CO 0.32 -0.14 -0.13 0.71 -1.46 0.00 0.00 175.22 174.52 1whs s TYR 141 N -0.05 1.15 -0.12 10.12 1.51 -0.37 0.19 117.35 129.78 1whs s TYR 141 Ca -0.02 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1whs s TYR 141 Cb -0.11 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1whs s TYR 141 CO 0.02 0.02 -0.14 0.42 -1.11 0.00 0.00 175.55 174.76 1whs s ILE 142 N -0.83 3.00 0.03 2.71 1.01 -0.73 -0.67 121.20 125.71 1whs s ILE 142 Ca 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1whs s ILE 142 Cb -0.08 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1whs s ILE 142 CO 0.01 0.53 0.04 0.00 0.00 0.00 0.00 174.94 175.53 1whs s ALA 143 N 0.21 0.07 -0.04 9.38 0.00 0.15 -1.37 121.76 130.15 1whs s ALA 143 Ca -0.08 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 1whs s ALA 143 Cb -0.15 0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.28 1whs s ALA 143 CO 0.05 -0.28 1.32 0.20 0.00 0.00 0.00 175.76 177.05 1whs s GLY 144 N -2.05 -0.17 0.16 0.00 0.00 -0.96 -0.95 107.32 103.35 1whs s GLY 144 Ca -0.06 0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 1whs s GLY 144 CO -0.04 5.89 0.06 -1.83 0.00 0.00 0.00 173.10 177.17 1whs s GLU 145 N -2.02 1.04 7.89 2.90 -1.05 -0.86 -0.45 118.70 126.14 1whs s GLU 145 Ca 0.30 -1.51 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1whs s GLU 145 Cb -0.00 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 1whs s GLU 145 CO -0.02 -0.25 0.00 0.43 0.95 0.00 0.00 175.26 176.37 1whs n SER 146 N -0.18 0.00 0.26 0.83 7.64 -0.79 -1.50 113.62 119.88 1whs n SER 146 Ca -0.04 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.01 1whs n SER 146 Cb 0.64 0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.76 1whs n SER 146 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1whs h TYR 147 N 0.00 0.00 0.00 1.43 3.20 -1.87 0.13 116.97 119.86 1whs h TYR 147 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1whs h TYR 147 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1whs h TYR 147 CO 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 1whs n ALA 148 N -1.95 2.01 0.24 1.82 0.00 -0.56 0.69 120.51 122.77 1whs n ALA 148 Ca -0.02 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1whs n ALA 148 Cb 0.07 -1.21 0.57 0.00 0.00 0.00 0.00 19.45 18.88 1whs n ALA 148 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1whs h GLY 149 N 2.24 0.00 0.00 0.00 0.00 -0.93 -1.70 103.07 102.67 1whs h GLY 149 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1whs h GLY 149 CO 0.00 0.00 -0.42 0.45 0.00 0.00 0.00 176.54 176.57 1whs h HIS 150 N 0.00 0.00 -0.58 5.60 -0.00 0.12 -3.40 115.15 116.90 1whs h HIS 150 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 1whs h HIS 150 Cb 0.62 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 27.93 1whs h HIS 150 CO 0.00 0.31 -0.04 1.88 -0.00 0.00 0.00 177.93 180.08 1whs h TYR 151 N -1.00 -0.12 0.42 2.45 0.05 -1.50 -2.54 116.97 114.73 1whs h TYR 151 Ca -0.05 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1whs h TYR 151 Cb 0.52 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1whs h TYR 151 CO -0.06 -0.18 -0.42 0.28 -1.05 0.00 0.00 178.16 176.73 1whs h VAL 152 N 0.08 0.00 -0.00 -2.88 2.07 -1.54 -0.46 116.25 113.52 1whs h VAL 152 Ca 0.29 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.72 1whs h VAL 152 Cb 0.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1whs h VAL 152 CO -0.53 0.00 -0.44 1.55 0.02 0.00 0.00 177.57 178.17 1whs h PRO 153 N -0.84 0.00 -0.16 1.57 0.13 -1.76 0.41 132.00 131.35 1whs h PRO 153 Ca -0.05 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1whs h PRO 153 Cb 0.73 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1whs h PRO 153 CO -0.05 0.45 0.04 0.93 -0.23 0.00 0.00 178.00 179.14 1whs h GLU 154 N 0.00 0.26 -0.40 0.86 5.08 -1.35 0.66 114.58 119.70 1whs h GLU 154 Ca -0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1whs h GLU 154 Cb 0.78 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1whs h GLU 154 CO 0.06 0.40 -0.08 1.25 -1.00 0.00 0.00 179.01 179.63 1whs h LEU 155 N 0.08 0.76 -0.91 1.33 5.85 -0.97 -2.42 115.31 119.03 1whs h LEU 155 Ca 0.05 -0.36 0.14 0.00 0.84 0.00 0.00 57.88 58.56 1whs h LEU 155 Cb 0.25 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 1whs h LEU 155 CO 0.00 0.94 0.52 0.28 -0.34 0.00 0.00 178.44 179.84 1whs h SER 156 N 0.57 0.69 -0.06 1.25 0.02 0.02 -1.27 113.55 114.77 1whs h SER 156 Ca 0.10 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1whs h SER 156 Cb 0.60 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1whs h SER 156 CO 0.04 0.31 0.01 -0.61 -1.14 0.00 0.00 176.83 175.44 1whs h GLN 157 N 0.76 0.11 -0.05 3.45 4.15 -0.51 -0.56 115.11 122.45 1whs h GLN 157 Ca 0.49 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.92 1whs h GLN 157 Cb 0.63 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 1whs h GLN 157 CO -0.33 0.34 -0.31 -0.07 -1.93 0.00 0.00 178.83 176.54 1whs h LEU 158 N -0.15 -0.93 -0.58 -2.39 3.38 -0.96 0.73 115.31 114.40 1whs h LEU 158 Ca 0.02 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1whs h LEU 158 Cb 0.29 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 1whs h LEU 158 CO 0.00 -0.36 -0.03 0.58 0.09 0.00 0.00 178.44 178.72 1whs h VAL 159 N -0.43 0.50 -0.30 1.22 2.07 -1.17 1.79 116.25 119.94 1whs h VAL 159 Ca 0.08 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1whs h VAL 159 Cb 0.54 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1whs h VAL 159 CO -0.29 0.02 0.06 -0.74 0.02 0.00 0.00 177.57 176.63 1whs h HIS 160 N 0.09 0.51 -0.19 1.57 -0.00 -0.67 -2.76 115.15 113.70 1whs h HIS 160 Ca 0.30 -0.07 -0.14 0.00 -0.00 0.00 0.00 60.37 60.46 1whs h HIS 160 Cb 0.47 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1whs h HIS 160 CO -0.38 0.56 -0.46 0.00 -0.00 0.00 0.00 177.93 177.65 1whs h ARG 161 N 0.31 0.48 -1.06 5.26 3.08 0.02 -3.26 114.38 119.21 1whs h ARG 161 Ca 0.09 -0.26 0.33 0.00 0.07 0.00 0.00 59.98 60.21 1whs h ARG 161 Cb 0.32 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.25 1whs h ARG 161 CO 0.00 0.84 0.63 0.66 -1.07 0.00 0.00 179.97 181.04 1whs h SER 162 N 0.38 0.47 -1.25 7.04 4.64 0.30 -3.45 113.55 121.68 1whs h SER 162 Ca 0.02 0.16 -0.23 0.00 -0.47 0.00 0.00 61.79 61.28 1whs h SER 162 Cb 0.96 0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1whs h SER 162 CO 0.08 -0.09 -0.26 0.29 -0.87 0.00 0.00 176.83 175.98 1whs n LYS 163 N -4.91 -0.86 -2.34 4.77 4.01 -1.22 -4.93 118.16 112.68 1whs n LYS 163 Ca 0.31 0.66 -0.43 0.00 -0.51 0.00 0.00 58.31 58.34 1whs n LYS 163 Cb 1.03 -4.73 -0.02 0.00 -0.51 0.00 0.00 35.03 30.79 1whs n LYS 163 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1whs s ASN 164 N -2.62 6.90 0.00 4.39 3.84 -1.26 -4.89 114.94 121.30 1whs s ASN 164 Ca 0.00 1.84 0.28 0.00 0.21 0.00 0.00 52.86 55.19 1whs s ASN 164 Cb 0.00 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.25 1whs s ASN 164 CO 0.00 -0.77 1.81 -0.81 -2.79 0.00 0.00 177.10 174.54 1whs n PRO 165 N 6.45 0.17 0.09 0.43 -0.04 -1.26 -3.78 135.00 137.05 1whs n PRO 165 Ca 0.14 -0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1whs n PRO 165 Cb 0.44 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1whs n PRO 165 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1whs n VAL 166 N -1.38 0.51 -3.08 0.52 0.24 -1.26 -4.73 118.33 109.15 1whs n VAL 166 Ca 0.09 -0.49 -0.44 0.00 -2.04 0.00 0.00 64.34 61.46 1whs n VAL 166 Cb 0.32 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 1whs n VAL 166 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1whs s ILE 167 N -3.34 4.76 -1.51 1.34 1.01 -1.25 0.14 121.20 122.34 1whs s ILE 167 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1whs s ILE 167 Cb 0.11 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1whs s ILE 167 CO 0.79 -1.07 2.49 -3.20 0.00 0.00 0.00 174.94 173.96 1whs n ASN 168 N 6.50 5.91 -4.65 3.58 5.15 -1.21 -4.94 115.26 125.60 1whs n ASN 168 Ca -0.07 -2.76 -0.47 0.00 -0.60 0.00 0.00 54.58 50.67 1whs n ASN 168 Cb 0.44 -1.60 -0.05 0.00 -0.53 0.00 0.00 39.78 38.04 1whs n ASN 168 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1whs n LEU 169 N 4.90 3.40 -0.02 1.20 7.94 -1.26 -0.39 117.00 132.76 1whs n LEU 169 Ca 0.62 0.84 0.04 0.00 -1.11 0.00 0.00 56.01 56.40 1whs n LEU 169 Cb 0.32 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.76 1whs n LEU 169 CO 0.87 -0.14 -0.75 0.29 -1.11 0.00 0.00 177.39 176.55 1whs n LYS 170 N 7.11 0.73 -3.87 1.96 5.02 0.50 -4.86 118.16 124.76 1whs n LYS 170 Ca 0.25 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1whs n LYS 170 Cb 0.32 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1whs n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whs n GLY 171 N 1.72 -2.40 3.16 0.72 0.00 -1.23 -5.04 105.19 102.11 1whs n GLY 171 Ca -0.08 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1whs n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1whs s PHE 172 N -2.23 0.84 -0.03 1.61 -0.12 -1.26 -1.78 117.98 115.02 1whs s PHE 172 Ca 0.00 -1.04 0.01 0.00 -0.05 0.00 0.00 56.93 55.85 1whs s PHE 172 Cb 0.00 -0.51 0.02 0.00 -0.63 0.00 0.00 43.02 41.90 1whs s PHE 172 CO 0.00 -0.29 -0.01 1.41 -0.05 0.00 0.00 175.22 176.28 1whs s MET 173 N -3.91 0.37 -0.10 1.99 1.75 -0.47 -4.97 119.30 113.97 1whs s MET 173 Ca 0.15 0.03 0.03 0.00 -1.25 0.00 0.00 55.69 54.65 1whs s MET 173 Cb 0.07 -0.51 -0.01 0.00 2.84 0.00 0.00 34.83 37.22 1whs s MET 173 CO -0.03 -0.10 -0.21 0.08 -0.65 0.00 0.00 175.02 174.11 1whs s VAL 174 N 0.87 2.37 -0.19 10.11 1.01 -1.26 -2.26 120.40 131.05 1whs s VAL 174 Ca -0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1whs s VAL 174 Cb -0.12 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1whs s VAL 174 CO -0.01 0.55 -0.08 -0.83 0.00 0.00 0.00 175.10 174.73 1whs s GLY 175 N 0.19 1.59 -1.16 4.51 0.00 0.40 -4.75 107.32 108.10 1whs s GLY 175 Ca -0.12 -1.06 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 1whs s GLY 175 CO 0.07 0.19 0.68 0.70 0.00 0.00 0.00 173.10 174.73 1whs n ASN 176 N 4.29 -4.28 -4.37 1.64 4.13 -1.26 -1.88 115.26 113.53 1whs n ASN 176 Ca -0.18 -1.25 -0.24 0.00 1.68 0.00 0.00 54.58 54.59 1whs n ASN 176 Cb 0.51 -1.70 -0.11 0.00 -1.54 0.00 0.00 39.78 36.94 1whs n ASN 176 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1whs s GLY 177 N -3.45 1.52 0.12 7.41 0.00 -1.26 -2.15 107.32 109.52 1whs s GLY 177 Ca 0.43 -1.55 -0.32 0.00 0.00 0.00 0.00 44.72 43.27 1whs s GLY 177 CO 0.96 -1.59 1.77 1.04 0.00 0.00 0.00 173.10 175.28 1whs n LEU 178 N 0.28 3.79 0.00 0.66 4.32 -1.10 -4.82 117.00 120.13 1whs n LEU 178 Ca -0.13 1.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.88 1whs n LEU 178 Cb 0.57 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 1whs n LEU 178 CO 0.29 0.06 -0.37 -0.38 -1.22 0.00 0.00 177.39 175.77 1whs n ILE 179 N 4.38 0.00 -3.62 -0.08 5.41 -1.26 -4.01 119.36 120.17 1whs n ILE 179 Ca 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.91 1whs n ILE 179 Cb 0.34 -0.56 -0.05 0.00 -0.71 0.00 0.00 39.64 38.66 1whs n ILE 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1whs s ASP 180 N -4.02 -0.97 0.17 4.38 -1.08 -1.26 -5.08 116.67 108.82 1whs s ASP 180 Ca 0.00 1.41 -0.16 0.00 -0.52 0.00 0.00 52.55 53.28 1whs s ASP 180 Cb 0.00 2.10 0.13 0.00 -1.46 0.00 0.00 42.92 43.69 1whs s ASP 180 CO 0.00 -0.23 1.67 0.44 0.52 0.00 0.00 175.17 177.58 1whs h ASP 181 N 8.04 -0.33 0.39 -0.34 3.32 -1.97 -0.10 116.42 125.42 1whs h ASP 181 Ca -0.18 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1whs h ASP 181 Cb 1.11 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1whs h ASP 181 CO 0.11 -0.12 -0.19 0.22 -1.72 0.00 0.00 179.24 177.55 1whs h TYR 182 N 0.04 -0.48 -0.81 4.55 3.20 -1.83 0.10 116.97 121.73 1whs h TYR 182 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1whs h TYR 182 Cb 0.33 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1whs h TYR 182 CO -0.35 -0.20 0.39 0.45 -1.64 0.00 0.00 178.16 176.82 1whs h HIS 183 N -0.72 1.15 -0.38 -3.82 3.86 -1.91 0.28 115.15 113.60 1whs h HIS 183 Ca -0.05 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 1whs h HIS 183 Cb 0.50 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1whs h HIS 183 CO -0.00 0.83 -0.03 -0.44 0.86 0.00 0.00 177.93 179.14 1whs h ASP 184 N 1.15 0.69 -0.28 2.45 3.32 -0.98 0.22 116.42 122.99 1whs h ASP 184 Ca 0.28 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1whs h ASP 184 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1whs h ASP 184 CO -0.04 0.85 0.18 1.88 -1.72 0.00 0.00 179.24 180.40 1whs h TYR 185 N 0.51 0.35 0.54 4.55 0.05 -0.02 0.14 116.97 123.08 1whs h TYR 185 Ca 0.10 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1whs h TYR 185 Cb 0.52 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1whs h TYR 185 CO 0.04 0.22 -0.43 0.28 -1.05 0.00 0.00 178.16 177.22 1whs h VAL 186 N 0.38 0.00 -0.18 -2.88 2.07 -0.19 -2.41 116.25 113.04 1whs h VAL 186 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1whs h VAL 186 Cb -0.04 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1whs h VAL 186 CO -0.02 0.00 0.14 1.23 0.02 0.00 0.00 177.57 178.94 1whs h GLY 187 N -0.94 0.00 0.95 2.17 0.00 -0.42 -2.72 103.07 102.11 1whs h GLY 187 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1whs h GLY 187 CO 0.00 0.00 -0.16 -0.84 0.00 0.00 0.00 176.54 175.54 1whs h THR 188 N 0.00 0.67 -0.35 4.70 2.02 -0.26 -0.93 112.91 118.77 1whs h THR 188 Ca 0.09 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1whs h THR 188 Cb 0.36 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1whs h THR 188 CO -0.00 0.02 0.20 -0.26 0.37 0.00 0.00 175.52 175.85 1whs h PHE 189 N -0.52 0.48 -0.77 3.16 0.04 -1.14 -1.61 116.94 116.57 1whs h PHE 189 Ca -0.05 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.78 1whs h PHE 189 Cb 0.39 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 1whs h PHE 189 CO -0.04 0.37 0.46 1.49 -0.60 0.00 0.00 178.31 179.99 1whs h GLU 190 N 0.45 0.81 -0.63 1.51 4.81 -1.44 -0.34 114.58 119.74 1whs h GLU 190 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1whs h GLU 190 Cb 0.05 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1whs h GLU 190 CO -0.02 0.53 0.41 0.35 -0.73 0.00 0.00 179.01 179.55 1whs h PHE 191 N 0.83 0.81 -0.13 0.92 3.04 -0.84 0.98 116.94 122.54 1whs h PHE 191 Ca 0.34 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1whs h PHE 191 Cb 0.19 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1whs h PHE 191 CO -0.05 0.52 0.04 -1.49 -2.02 0.00 0.00 178.31 175.31 1whs h TRP 192 N 0.86 0.21 -0.80 0.41 6.55 -0.47 -1.18 115.95 121.53 1whs h TRP 192 Ca 0.23 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.05 1whs h TRP 192 Cb -0.07 -0.06 -0.04 0.00 -0.86 0.00 0.00 29.16 28.13 1whs h TRP 192 CO -0.03 0.33 0.52 2.35 -1.05 0.00 0.00 178.44 180.56 1whs h TRP 193 N 0.04 1.02 0.00 0.49 7.01 -0.75 -0.41 115.95 123.35 1whs h TRP 193 Ca 0.04 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1whs h TRP 193 Cb 0.21 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1whs h TRP 193 CO -0.00 0.66 0.00 0.09 -2.79 0.00 0.00 178.44 176.39 1whs n ASN 194 N -4.51 0.00 -0.40 2.65 3.02 0.31 -1.72 115.26 114.61 1whs n ASN 194 Ca 0.08 -0.22 0.04 0.00 -0.03 0.00 0.00 54.58 54.44 1whs n ASN 194 Cb 0.03 -0.16 0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1whs n ASN 194 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1whs n HIS 195 N -1.16 0.21 -3.03 3.10 8.25 -0.22 -5.00 115.22 117.38 1whs n HIS 195 Ca 0.10 -0.33 -0.21 0.00 -0.26 0.00 0.00 57.72 57.03 1whs n HIS 195 Cb 0.10 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.23 1whs n HIS 195 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1whs n GLY 196 N 0.28 -0.41 0.00 -1.41 0.00 -0.70 -4.92 105.19 98.04 1whs n GLY 196 Ca 0.07 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1whs n GLY 196 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whs n ILE 197 N -4.46 0.00 -4.04 -0.61 -5.35 -0.86 -4.99 119.36 99.05 1whs n ILE 197 Ca -0.09 -0.09 -0.08 0.00 -0.27 0.00 0.00 62.75 62.23 1whs n ILE 197 Cb 0.60 0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 39.37 1whs n ILE 197 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1whs s VAL 198 N -2.73 0.20 0.85 7.28 -7.23 -1.26 -3.67 120.40 113.84 1whs s VAL 198 Ca 0.06 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 1whs s VAL 198 Cb 0.14 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.78 1whs s VAL 198 CO 0.74 -0.90 1.17 -0.94 -0.31 0.00 0.00 175.10 174.87 1whs s SER 199 N -2.80 4.11 0.18 4.85 1.04 -1.26 -4.77 113.70 115.05 1whs s SER 199 Ca 0.05 0.81 -0.09 0.00 0.48 0.00 0.00 55.95 57.20 1whs s SER 199 Cb 0.06 -1.31 0.06 0.00 0.10 0.00 0.00 66.02 64.93 1whs s SER 199 CO -0.09 -2.16 1.62 0.44 0.98 0.00 0.00 173.24 174.02 1whs h ASP 200 N -1.23 1.04 0.12 7.02 5.19 -2.00 -0.32 116.42 126.24 1whs h ASP 200 Ca -0.47 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 55.60 1whs h ASP 200 Cb 1.33 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1whs h ASP 200 CO 0.63 1.13 -0.06 -0.78 -3.12 0.00 0.00 179.24 177.04 1whs h ASP 201 N 0.94 -0.14 -0.96 6.45 3.58 -1.99 -2.31 116.42 121.99 1whs h ASP 201 Ca 0.15 -0.28 0.11 0.00 0.42 0.00 0.00 57.03 57.43 1whs h ASP 201 Cb 0.64 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.65 1whs h ASP 201 CO 0.04 0.22 0.61 0.74 -2.88 0.00 0.00 179.24 177.97 1whs h THR 202 N -0.51 0.94 -0.63 2.25 2.02 -1.93 0.30 112.91 115.35 1whs h THR 202 Ca -0.02 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 66.91 1whs h THR 202 Cb 0.41 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 1whs h THR 202 CO 0.03 0.17 0.31 0.22 0.37 0.00 0.00 175.52 176.61 1whs h TYR 203 N 0.94 0.55 -0.07 3.16 3.20 -0.86 -1.05 116.97 122.85 1whs h TYR 203 Ca 0.46 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.34 1whs h TYR 203 Cb 0.47 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1whs h TYR 203 CO -0.00 0.23 -0.02 -0.09 -1.64 0.00 0.00 178.16 176.63 1whs h ARG 204 N 0.56 0.13 -0.76 1.82 2.43 -0.52 -2.43 114.38 115.62 1whs h ARG 204 Ca 0.29 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.55 1whs h ARG 204 Cb 0.26 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.72 1whs h ARG 204 CO -0.23 0.48 0.32 -0.09 -1.51 0.00 0.00 179.97 178.95 1whs h ARG 205 N -0.23 0.47 0.14 0.20 1.12 -0.08 -1.48 114.38 114.53 1whs h ARG 205 Ca 0.02 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1whs h ARG 205 Cb 0.44 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1whs h ARG 205 CO 0.01 0.31 -0.07 -0.07 -3.11 0.00 0.00 179.97 177.04 1whs h LEU 206 N 0.49 -0.16 -1.94 3.80 3.38 -1.21 0.14 115.31 119.82 1whs h LEU 206 Ca 0.41 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.35 1whs h LEU 206 Cb 0.59 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1whs h LEU 206 CO -0.38 0.05 0.32 0.11 0.09 0.00 0.00 178.44 178.64 1whs h LYS 207 N -0.37 0.07 0.00 1.13 1.57 -0.95 -0.71 116.57 117.31 1whs h LYS 207 Ca -0.02 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 1whs h LYS 207 Cb 0.30 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1whs h LYS 207 CO 0.03 0.05 -1.44 0.93 -0.57 0.00 0.00 179.45 178.45 1whs h GLU 208 N 0.07 0.00 0.10 3.15 5.08 -0.95 -3.32 114.58 118.71 1whs h GLU 208 Ca 0.21 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.25 1whs h GLU 208 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1whs h GLU 208 CO -0.02 0.57 -1.71 0.00 -1.00 0.00 0.00 179.01 176.85 1whs h ALA 209 N 1.09 0.41 0.00 3.43 0.00 -0.53 -3.43 119.26 120.24 1whs h ALA 209 Ca -0.19 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.46 1whs h ALA 209 Cb 1.86 0.45 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1whs h ALA 209 CO 0.08 1.27 -1.04 0.00 0.00 0.00 0.00 179.25 179.57 1whs h LEU 211 N 0.00 0.00 -2.26 0.00 3.38 -1.72 -1.81 115.31 112.90 1whs h LEU 211 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1whs h LEU 211 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1whs h LEU 211 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 1whs n HIS 212 N -2.48 0.39 -2.94 1.13 8.25 -1.26 -4.68 115.22 113.62 1whs n HIS 212 Ca -0.02 -0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 57.00 1whs n HIS 212 Cb 0.14 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.32 1whs n HIS 212 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1whs s ASP 213 N -1.32 4.90 0.21 0.41 1.11 -0.68 -5.06 116.67 116.24 1whs s ASP 213 Ca 0.31 -0.78 0.05 0.00 0.18 0.00 0.00 52.55 52.31 1whs s ASP 213 Cb 0.19 0.30 -0.03 0.00 1.07 0.00 0.00 42.92 44.44 1whs s ASP 213 CO 0.26 -1.50 0.26 -0.94 1.18 0.00 0.00 175.17 174.44 1whs s SER 214 N -4.70 6.00 0.24 0.27 1.04 -1.26 -4.55 113.70 110.72 1whs s SER 214 Ca 0.63 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 57.10 1whs s SER 214 Cb -0.05 -1.69 0.24 0.00 0.10 0.00 0.00 66.02 64.62 1whs s SER 214 CO 0.40 -0.01 1.55 -0.26 0.98 0.00 0.00 173.24 175.90 1whs h PHE 215 N 1.68 0.26 0.00 5.02 -1.00 -1.96 -2.95 116.94 117.98 1whs h PHE 215 Ca -0.50 -0.10 -0.18 0.00 2.81 0.00 0.00 57.97 60.00 1whs h PHE 215 Cb 1.22 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 1whs h PHE 215 CO 0.52 0.77 -1.13 0.97 -1.61 0.00 0.00 178.31 177.83 1whs h ILE 216 N 0.14 0.95 -2.07 -0.55 6.09 -2.01 -3.39 117.51 116.67 1whs h ILE 216 Ca -0.01 -2.53 -0.53 0.00 -1.37 0.00 0.00 64.86 60.42 1whs h ILE 216 Cb 1.14 2.41 -0.41 0.00 0.47 0.00 0.00 36.82 40.43 1whs h ILE 216 CO 0.10 0.54 -0.90 1.41 -3.07 0.00 0.00 178.15 176.22 1whs n HIS 217 N -3.12 2.27 -1.50 2.19 8.25 -1.21 -5.10 115.22 117.01 1whs n HIS 217 Ca -0.06 -3.83 -0.36 0.00 -0.26 0.00 0.00 57.72 53.21 1whs n HIS 217 Cb 0.88 -0.44 0.07 0.00 1.12 0.00 0.00 29.99 31.62 1whs n HIS 217 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1whs n PRO 218 N -0.03 0.72 -1.54 -0.41 -0.04 -1.12 -4.22 135.00 128.36 1whs n PRO 218 Ca 0.28 0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 63.75 1whs n PRO 218 Cb 0.54 -2.26 0.16 0.00 -0.04 0.00 0.00 33.50 31.89 1whs n PRO 218 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1whs s SER 219 N -1.48 3.09 0.47 3.54 1.04 -1.26 -4.83 113.70 114.26 1whs s SER 219 Ca 0.76 0.80 0.26 0.00 0.48 0.00 0.00 55.95 58.25 1whs s SER 219 Cb -0.37 -1.24 0.97 0.00 0.10 0.00 0.00 66.02 65.48 1whs s SER 219 CO 0.47 -2.80 1.84 -0.65 0.98 0.00 0.00 173.24 173.09 1whs h PRO 220 N -1.67 0.00 0.46 4.02 0.11 -1.94 -1.90 132.00 131.08 1whs h PRO 220 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1whs h PRO 220 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1whs h PRO 220 CO 0.54 0.16 -0.22 0.00 -0.21 0.00 0.00 178.00 178.27 1whs h ALA 221 N 1.84 -0.62 -0.74 -0.75 0.00 -1.92 -1.76 119.26 115.30 1whs h ALA 221 Ca -0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.90 1whs h ALA 221 Cb 0.72 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 1whs h ALA 221 CO 0.02 -0.75 0.06 0.00 0.00 0.00 0.00 179.25 178.58 1whs h ASP 223 N 0.15 0.41 -0.44 0.00 3.32 -1.28 -0.36 116.42 118.23 1whs h ASP 223 Ca 0.41 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1whs h ASP 223 Cb 0.72 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1whs h ASP 223 CO -0.61 0.92 0.26 0.00 -1.72 0.00 0.00 179.24 178.09 1whs h ALA 224 N 1.08 0.56 0.32 3.45 0.00 -0.04 0.20 119.26 124.82 1whs h ALA 224 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1whs h ALA 224 Cb 1.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1whs h ALA 224 CO 0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 179.25 179.07 1whs h ALA 225 N 1.19 -0.52 0.00 0.00 0.00 -0.52 -1.72 119.26 117.69 1whs h ALA 225 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1whs h ALA 225 Cb 0.01 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1whs h ALA 225 CO -0.08 -0.81 -0.04 1.79 0.00 0.00 0.00 179.25 180.11 1whs h THR 226 N -0.53 0.24 -0.37 0.00 1.35 -0.71 -0.66 112.91 112.22 1whs h THR 226 Ca -0.03 -0.29 -0.09 0.00 -0.55 0.00 0.00 66.41 65.46 1whs h THR 226 Cb 0.46 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1whs h THR 226 CO 0.01 0.04 -0.13 0.44 -0.25 0.00 0.00 175.52 175.63 1whs h ASP 227 N 0.00 0.65 -0.08 5.36 5.19 0.33 -0.64 116.42 127.23 1whs h ASP 227 Ca -0.00 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 1whs h ASP 227 Cb 0.22 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1whs h ASP 227 CO 0.01 0.80 -0.02 0.58 -3.12 0.00 0.00 179.24 177.49 1whs h VAL 228 N 0.60 1.29 -0.86 -1.35 2.07 -0.93 -2.32 116.25 114.75 1whs h VAL 228 Ca 0.10 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1whs h VAL 228 Cb 0.57 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 1whs h VAL 228 CO 0.04 0.26 0.56 0.00 0.02 0.00 0.00 177.57 178.44 1whs h ALA 229 N 0.67 1.76 -0.53 1.67 0.00 -1.08 0.34 119.26 122.09 1whs h ALA 229 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1whs h ALA 229 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1whs h ALA 229 CO 0.01 0.04 -0.07 1.15 0.00 0.00 0.00 179.25 180.38 1whs h THR 230 N 0.75 1.26 -0.59 0.00 2.02 -1.02 0.67 112.91 116.01 1whs h THR 230 Ca 0.41 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 1whs h THR 230 Cb 0.55 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1whs h THR 230 CO -0.18 0.42 -0.03 0.00 0.37 0.00 0.00 175.52 176.11 1whs h ALA 231 N 1.05 0.80 -0.32 6.16 0.00 0.06 -2.68 119.26 124.33 1whs h ALA 231 Ca 0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1whs h ALA 231 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1whs h ALA 231 CO 0.04 0.66 -0.09 0.93 0.00 0.00 0.00 179.25 180.78 1whs h GLU 232 N 0.95 0.53 0.00 0.00 5.08 -0.09 -3.11 114.58 117.95 1whs h GLU 232 Ca 0.16 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1whs h GLU 232 Cb 0.59 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1whs h GLU 232 CO 0.04 0.63 -0.31 1.96 -1.00 0.00 0.00 179.01 180.32 1whs h GLN 233 N 0.50 0.00 0.00 2.33 4.20 -0.53 -3.46 115.11 118.14 1whs h GLN 233 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1whs h GLN 233 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1whs h GLN 233 CO 0.03 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 178.90 1whs n GLY 234 N -0.14 -0.92 2.72 3.46 0.00 -1.15 -4.30 105.19 104.87 1whs n GLY 234 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1whs n GLY 234 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whs n ASN 235 N -1.90 4.37 -4.50 1.61 2.85 -1.26 -4.88 115.26 111.55 1whs n ASN 235 Ca 0.00 -2.87 -0.24 0.00 -0.11 0.00 0.00 54.58 51.36 1whs n ASN 235 Cb 0.00 -1.63 -0.10 0.00 1.24 0.00 0.00 39.78 39.29 1whs n ASN 235 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1whs s ILE 236 N 2.70 2.12 -0.56 -1.44 -4.36 -1.26 -4.93 121.20 113.47 1whs s ILE 236 Ca 0.47 -2.22 -0.22 0.00 -0.26 0.00 0.00 60.65 58.43 1whs s ILE 236 Cb 0.14 -2.53 0.06 0.00 1.25 0.00 0.00 42.46 41.37 1whs s ILE 236 CO -0.08 -0.27 0.82 -0.62 0.24 0.00 0.00 174.94 175.04 1whs s ASP 237 N -3.55 6.26 0.62 4.36 -1.08 -1.26 -4.91 116.67 117.12 1whs s ASP 237 Ca 0.31 -0.71 0.30 0.00 -0.52 0.00 0.00 52.55 51.92 1whs s ASP 237 Cb 0.01 -2.38 1.59 0.00 -1.46 0.00 0.00 42.92 40.69 1whs s ASP 237 CO 0.15 -1.14 1.96 0.24 0.52 0.00 0.00 175.17 176.89 1whs h MET 238 N 9.24 0.00 -0.01 4.34 2.86 -1.95 -1.34 114.93 128.07 1whs h MET 238 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1whs h MET 238 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1whs h MET 238 CO 1.06 0.00 -0.21 0.66 1.06 0.00 0.00 176.91 179.48 1whs n TYR 239 N -3.40 0.00 -3.18 -0.22 4.02 -1.26 -4.62 117.16 108.50 1whs n TYR 239 Ca 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.93 1whs n TYR 239 Cb 0.48 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 1whs n TYR 239 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1whs s SER 240 N -2.44 -1.49 0.20 7.72 0.15 -0.51 -5.07 113.70 112.27 1whs s SER 240 Ca 0.26 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 56.22 1whs s SER 240 Cb 0.19 1.90 0.27 0.00 -1.71 0.00 0.00 66.02 66.68 1whs s SER 240 CO 0.49 -0.18 1.70 -0.07 1.20 0.00 0.00 173.24 176.38 1whs h LEU 241 N 7.08 -0.02 -2.83 3.45 3.38 -1.80 -3.01 115.31 121.56 1whs h LEU 241 Ca 0.04 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1whs h LEU 241 Cb 1.18 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1whs h LEU 241 CO 0.10 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.41 1whs n TYR 242 N -5.14 1.49 -4.34 1.13 4.01 -1.26 -4.74 117.16 108.31 1whs n TYR 242 Ca 0.08 -0.52 -0.21 0.00 -0.16 0.00 0.00 57.90 57.09 1whs n TYR 242 Cb 0.31 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 38.85 1whs n TYR 242 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1whs s THR 243 N -2.23 1.83 0.66 -0.72 -4.23 -1.14 -5.12 115.64 104.70 1whs s THR 243 Ca 0.40 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 1whs s THR 243 Cb 0.30 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 72.24 1whs s THR 243 CO 0.13 -0.37 1.08 -2.16 -0.54 0.00 0.00 174.62 172.76 1whs s PRO 244 N -2.97 2.91 0.26 3.99 0.04 -1.26 -4.44 135.00 133.52 1whs s PRO 244 Ca 0.17 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 1whs s PRO 244 Cb -0.05 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1whs s PRO 244 CO 0.07 -1.15 0.62 0.08 0.04 0.00 0.00 177.00 176.66 1whs s VAL 245 N -2.56 4.84 -0.06 -0.36 1.01 -1.26 -4.91 120.40 117.10 1whs s VAL 245 Ca 0.64 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 1whs s VAL 245 Cb -0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1whs s VAL 245 CO 0.44 -0.09 1.32 0.00 0.00 0.00 0.00 175.10 176.77 1whs n ASN 247 N 5.70 6.87 0.00 0.00 2.04 -1.26 -5.23 115.26 123.39 1whs n ASN 247 Ca 0.13 -3.33 0.00 0.00 -0.44 0.00 0.00 54.58 50.94 1whs n ASN 247 Cb 0.45 -1.07 0.00 0.00 -2.53 0.00 0.00 39.78 36.63 1whs n ASN 247 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12