#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woh s PRO 4 N 0.00 2.74 0.13 1.61 0.04 -1.26 -5.05 135.00 133.21 1woh s PRO 4 Ca 0.00 1.70 0.10 0.00 0.04 0.00 0.00 61.00 62.84 1woh s PRO 4 Cb 0.00 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1woh s PRO 4 CO 0.00 -1.36 -0.24 0.00 0.04 0.00 0.00 177.00 175.45 1woh s ALA 5 N -1.87 2.17 0.66 8.56 0.00 -1.26 -5.13 121.76 124.90 1woh s ALA 5 Ca 0.74 -1.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1woh s ALA 5 Cb -0.27 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1woh s ALA 5 CO 0.38 0.43 1.23 -1.01 0.00 0.00 0.00 175.76 176.79 1woh s HIS 6 N -1.29 2.17 0.69 0.00 3.76 -1.26 -5.04 115.29 114.32 1woh s HIS 6 Ca 0.13 1.54 -0.05 0.00 -0.15 0.00 0.00 55.06 56.52 1woh s HIS 6 Cb -0.09 -3.54 0.07 0.00 1.11 0.00 0.00 32.58 30.12 1woh s HIS 6 CO 0.06 -2.58 0.99 -0.51 -0.85 0.00 0.00 174.74 171.85 1woh s LEU 7 N -4.58 2.89 0.48 0.89 2.01 -1.26 -4.92 118.68 114.19 1woh s LEU 7 Ca 0.78 0.33 0.20 0.00 0.01 0.00 0.00 54.13 55.45 1woh s LEU 7 Cb -0.32 -2.97 1.22 0.00 0.01 0.00 0.00 46.19 44.12 1woh s LEU 7 CO 0.40 -1.59 1.97 -0.65 1.01 0.00 0.00 176.35 177.48 1woh h PRO 8 N -0.54 0.20 -0.02 1.29 0.11 -1.97 -0.52 132.00 130.56 1woh h PRO 8 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1woh h PRO 8 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1woh h PRO 8 CO 0.57 0.14 0.00 2.48 -0.21 0.00 0.00 178.00 180.98 1woh n TYR 9 N -4.43 0.02 -4.15 0.65 4.11 -1.26 -4.87 117.16 107.23 1woh n TYR 9 Ca 0.11 -0.01 -0.30 0.00 -0.00 0.00 0.00 57.90 57.70 1woh n TYR 9 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.79 1woh n TYR 9 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1woh s GLY 10 N -1.91 1.88 0.00 -7.48 0.00 -0.21 -5.05 107.32 94.56 1woh s GLY 10 Ca 0.41 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1woh s GLY 10 CO 0.33 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.89 1woh n GLY 11 N 0.52 -0.89 3.72 0.20 0.00 -1.26 -4.65 105.19 102.83 1woh n GLY 11 Ca -0.11 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1woh n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woh s ILE 12 N -2.06 4.04 -0.80 -0.61 -1.09 -1.26 -4.96 121.20 114.46 1woh s ILE 12 Ca 0.00 1.53 -0.26 0.00 -2.23 0.00 0.00 60.65 59.69 1woh s ILE 12 Cb 0.00 -3.98 0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1woh s ILE 12 CO 0.00 0.16 1.29 -2.16 -1.23 0.00 0.00 174.94 172.99 1woh s PRO 13 N 0.68 3.28 0.16 2.79 0.04 -1.26 -4.94 135.00 135.75 1woh s PRO 13 Ca 0.56 -0.52 0.09 0.00 0.04 0.00 0.00 61.00 61.17 1woh s PRO 13 Cb -0.29 -4.46 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 1woh s PRO 13 CO 0.31 -2.13 -0.13 0.95 0.04 0.00 0.00 177.00 176.05 1woh s THR 14 N 5.35 3.06 0.18 1.26 -4.23 -1.26 -4.72 115.64 115.27 1woh s THR 14 Ca 0.36 -1.62 -0.33 0.00 -1.18 0.00 0.00 61.69 58.92 1woh s THR 14 Cb -0.07 -2.48 -0.13 0.00 1.34 0.00 0.00 72.50 71.16 1woh s THR 14 CO 0.08 -0.05 1.63 0.33 -0.54 0.00 0.00 174.62 176.08 1woh n PHE 15 N 0.28 2.45 -1.48 3.99 7.35 -1.26 -0.88 117.46 127.91 1woh n PHE 15 Ca -0.12 0.18 -0.17 0.00 -0.76 0.00 0.00 57.45 56.58 1woh n PHE 15 Cb 0.55 -2.59 -0.07 0.00 0.35 0.00 0.00 39.48 37.71 1woh n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1woh n ALA 16 N 3.65 -0.26 -3.02 3.13 0.00 -1.26 -0.76 120.51 122.00 1woh n ALA 16 Ca 0.17 0.27 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 1woh n ALA 16 Cb 0.31 -1.75 0.03 0.00 0.00 0.00 0.00 19.45 18.03 1woh n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1woh n ARG 17 N -2.03 -4.42 -2.61 0.00 0.63 -0.05 -4.65 116.66 103.53 1woh n ARG 17 Ca -0.17 0.85 -0.31 0.00 -0.92 0.00 0.00 57.85 57.30 1woh n ARG 17 Cb 0.57 -5.67 -0.03 0.00 0.45 0.00 0.00 32.46 27.77 1woh n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woh s ALA 18 N -3.12 3.19 0.55 5.13 0.00 0.06 -4.96 121.76 122.61 1woh s ALA 18 Ca 0.29 0.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 1woh s ALA 18 Cb -0.13 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1woh s ALA 18 CO 0.36 -0.12 1.35 -1.25 0.00 0.00 0.00 175.76 176.09 1woh s PRO 19 N -3.94 3.10 0.08 0.00 0.04 -1.26 -4.45 135.00 128.57 1woh s PRO 19 Ca 0.56 2.20 -0.25 0.00 0.04 0.00 0.00 61.00 63.55 1woh s PRO 19 Cb -0.10 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1woh s PRO 19 CO 0.31 -1.21 0.77 -1.17 0.04 0.00 0.00 177.00 175.74 1woh s LEU 20 N -3.59 4.49 0.17 -3.56 2.96 -1.26 -1.00 118.68 116.89 1woh s LEU 20 Ca 0.72 1.51 -0.01 0.00 -0.22 0.00 0.00 54.13 56.14 1woh s LEU 20 Cb -0.40 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1woh s LEU 20 CO 0.47 0.07 0.09 0.68 -1.32 0.00 0.00 176.35 176.34 1woh s VAL 21 N -0.38 0.11 -0.03 1.68 -7.23 0.25 -4.91 120.40 109.89 1woh s VAL 21 Ca 0.38 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 1woh s VAL 21 Cb -0.21 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1woh s VAL 21 CO 0.24 -0.23 0.26 -1.10 -0.31 0.00 0.00 175.10 173.96 1woh s GLN 22 N -4.09 3.61 0.29 4.82 -1.52 -1.26 -4.13 119.66 117.38 1woh s GLN 22 Ca 0.32 0.01 0.04 0.00 -1.95 0.00 0.00 55.36 53.78 1woh s GLN 22 Cb 0.07 -3.14 0.73 0.00 -0.22 0.00 0.00 33.01 30.45 1woh s GLN 22 CO 0.07 0.70 1.70 -1.35 -0.25 0.00 0.00 175.29 176.16 1woh h PRO 23 N 4.44 0.42 -0.45 2.91 0.11 -1.94 -0.06 132.00 137.44 1woh h PRO 23 Ca -0.52 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1woh h PRO 23 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1woh h PRO 23 CO 0.63 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 1woh n ASP 24 N -5.02 5.00 -4.07 -2.05 5.75 -1.26 -4.04 116.55 110.87 1woh n ASP 24 Ca 0.22 -2.97 -0.30 0.00 -0.01 0.00 0.00 54.79 51.73 1woh n ASP 24 Cb 0.65 -0.63 0.19 0.00 -1.03 0.00 0.00 41.12 40.31 1woh n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1woh s GLY 25 N -1.26 1.76 -1.04 6.12 0.00 -0.04 -4.97 107.32 107.89 1woh s GLY 25 Ca 0.50 -1.19 -0.14 0.00 0.00 0.00 0.00 44.72 43.88 1woh s GLY 25 CO 0.13 -0.40 1.17 -0.35 0.00 0.00 0.00 173.10 173.65 1woh s ASP 26 N -4.79 6.93 0.19 1.64 2.15 -1.26 -4.95 116.67 116.58 1woh s ASP 26 Ca 0.74 -2.76 -0.11 0.00 0.43 0.00 0.00 52.55 50.85 1woh s ASP 26 Cb -0.04 -2.33 -0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1woh s ASP 26 CO 0.53 -0.73 0.36 -1.66 -0.17 0.00 0.00 175.17 173.50 1woh s TRP 27 N 1.17 0.36 -0.09 -5.34 1.48 -1.26 -5.12 118.94 110.14 1woh s TRP 27 Ca 0.33 -0.71 -0.12 0.00 -1.06 0.00 0.00 56.10 54.55 1woh s TRP 27 Cb -0.06 0.04 0.03 0.00 -1.16 0.00 0.00 33.47 32.32 1woh s TRP 27 CO -0.06 -0.81 0.31 -0.65 -4.06 0.00 0.00 176.95 171.68 1woh s GLN 28 N -3.98 0.44 -0.05 3.25 -0.21 -1.26 -4.82 119.66 113.04 1woh s GLN 28 Ca 0.18 0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.53 1woh s GLN 28 Cb 0.02 0.21 0.08 0.00 1.00 0.00 0.00 33.01 34.32 1woh s GLN 28 CO 0.02 -0.08 0.74 0.00 -2.12 0.00 0.00 175.29 173.85 1woh s ALA 29 N -0.23 -1.78 0.12 6.09 0.00 -0.79 -5.00 121.76 120.16 1woh s ALA 29 Ca -0.04 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1woh s ALA 29 Cb -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1woh s ALA 29 CO 0.01 -0.41 1.71 -0.44 0.00 0.00 0.00 175.76 176.63 1woh h ASP 30 N 2.77 0.34 -4.07 0.00 3.32 -1.75 -3.13 116.42 113.90 1woh h ASP 30 Ca -0.26 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.11 1woh h ASP 30 Cb 1.17 -0.09 -0.31 0.00 0.22 0.00 0.00 39.33 40.32 1woh h ASP 30 CO 0.37 0.33 -0.85 -0.69 -1.72 0.00 0.00 179.24 176.69 1woh s VAL 31 N -5.83 1.56 -0.02 -1.35 1.01 -0.32 -1.16 120.40 114.30 1woh s VAL 31 Ca -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1woh s VAL 31 Cb 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1woh s VAL 31 CO 0.71 0.45 -0.06 0.00 0.00 0.00 0.00 175.10 176.20 1woh s ALA 32 N -0.15 0.57 -0.04 5.51 0.00 -1.10 -1.02 121.76 125.52 1woh s ALA 32 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1woh s ALA 32 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1woh s ALA 32 CO 0.01 0.09 0.05 0.00 0.00 0.00 0.00 175.76 175.92 1woh s ALA 33 N 0.16 3.49 -0.04 0.00 0.00 -0.36 -0.58 121.76 124.44 1woh s ALA 33 Ca -0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1woh s ALA 33 Cb -0.06 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1woh s ALA 33 CO -0.00 0.65 0.04 -1.17 0.00 0.00 0.00 175.76 175.28 1woh s LEU 34 N -1.42 0.48 0.13 0.00 2.96 -0.17 -0.22 118.68 120.45 1woh s LEU 34 Ca 0.19 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1woh s LEU 34 Cb -0.12 -0.17 -0.06 0.00 0.50 0.00 0.00 46.19 46.35 1woh s LEU 34 CO 0.09 -0.20 0.43 -0.83 -1.32 0.00 0.00 176.35 174.52 1woh s GLY 35 N 1.81 2.31 -0.50 7.98 0.00 0.02 -1.14 107.32 117.80 1woh s GLY 35 Ca 0.01 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1woh s GLY 35 CO -0.03 -0.23 0.37 0.14 0.00 0.00 0.00 173.10 173.35 1woh s VAL 36 N -1.55 1.24 -1.03 1.40 1.01 0.62 -1.07 120.40 121.02 1woh s VAL 36 Ca 0.38 -3.11 -0.13 0.00 0.00 0.00 0.00 61.98 59.12 1woh s VAL 36 Cb -0.13 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1woh s VAL 36 CO 0.21 -1.12 2.16 -0.81 0.00 0.00 0.00 175.10 175.53 1woh n PRO 37 N 2.70 2.17 -4.31 2.72 -0.04 -1.26 -3.39 135.00 133.59 1woh n PRO 37 Ca 0.24 -1.86 -0.31 0.00 -0.04 0.00 0.00 63.50 61.53 1woh n PRO 37 Cb 0.42 -2.79 -0.16 0.00 -0.04 0.00 0.00 33.50 30.92 1woh n PRO 37 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1woh s PHE 38 N 3.82 2.34 0.00 0.54 5.36 -1.26 -4.74 117.98 124.03 1woh s PHE 38 Ca 0.51 -1.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.23 1woh s PHE 38 Cb 0.13 -1.66 0.00 0.00 -0.34 0.00 0.00 43.02 41.16 1woh s PHE 38 CO 0.01 -0.63 0.80 -0.40 -1.46 0.00 0.00 175.22 173.55 1woh n ASP 39 N 4.42 0.00 -0.01 6.13 5.68 -1.26 -0.32 116.55 131.19 1woh n ASP 39 Ca -0.19 -1.63 0.16 0.00 -0.50 0.00 0.00 54.79 52.63 1woh n ASP 39 Cb 0.51 -0.13 0.94 0.00 -1.14 0.00 0.00 41.12 41.30 1woh n ASP 39 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1woh n ILE 40 N 0.00 0.00 0.58 2.12 -5.35 -1.26 -3.52 119.36 111.93 1woh n ILE 40 Ca 0.00 -0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.58 1woh n ILE 40 Cb 0.63 -0.48 -0.06 0.00 -1.74 0.00 0.00 39.64 37.98 1woh n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1woh n ALA 41 N -0.98 3.68 -1.63 -1.28 0.00 -1.26 -4.96 120.51 114.08 1woh n ALA 41 Ca 0.24 -0.49 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 1woh n ALA 41 Cb 0.11 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.73 1woh n ALA 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1woh s LEU 42 N -3.77 3.24 -0.00 0.00 0.05 -1.23 -2.22 118.68 114.75 1woh s LEU 42 Ca 0.03 1.63 0.18 0.00 0.05 0.00 0.00 54.13 56.02 1woh s LEU 42 Cb 0.15 -4.50 0.53 0.00 -2.05 0.00 0.00 46.19 40.31 1woh s LEU 42 CO 0.84 -1.29 1.44 0.61 -0.55 0.00 0.00 176.35 177.40 1woh n GLY 43 N -1.85 2.61 0.00 -3.48 0.00 -1.26 -4.94 105.19 96.27 1woh n GLY 43 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1woh n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1woh n PHE 44 N 1.23 0.00 -3.46 1.61 -0.00 -1.26 -5.10 117.46 110.49 1woh n PHE 44 Ca 0.20 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.25 1woh n PHE 44 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.94 1woh n PHE 44 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1woh s ARG 45 N 0.96 3.58 0.87 -4.13 0.52 -1.26 -5.08 118.95 114.41 1woh s ARG 45 Ca 0.00 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 1woh s ARG 45 Cb 0.00 -3.79 0.11 0.00 0.52 0.00 0.00 34.95 31.79 1woh s ARG 45 CO 0.00 -0.47 1.09 -2.14 0.02 0.00 0.00 175.30 173.81 1woh s PRO 46 N 1.90 1.47 0.00 3.54 0.02 -1.26 -4.43 135.00 136.24 1woh s PRO 46 Ca 0.10 0.85 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1woh s PRO 46 Cb -0.17 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1woh s PRO 46 CO 0.11 -2.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.09 1woh n GLY 47 N -1.23 0.90 0.25 0.52 0.00 -1.26 -4.95 105.19 99.42 1woh n GLY 47 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.27 1woh n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1woh h ALA 48 N 0.00 1.00 0.00 4.61 0.00 -1.86 -1.63 119.26 121.39 1woh h ALA 48 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1woh h ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1woh h ALA 48 CO 0.00 0.00 -0.01 0.07 0.00 0.00 0.00 179.25 179.31 1woh h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.85 -0.42 114.38 112.21 1woh h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woh h ARG 49 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1woh h ARG 49 CO 0.00 0.01 -0.34 1.19 0.10 0.00 0.00 179.97 180.93 1woh n PHE 50 N -3.12 0.00 -0.11 4.08 3.72 -0.61 -4.44 117.46 116.97 1woh n PHE 50 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 1woh n PHE 50 Cb 0.19 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1woh n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1woh h ALA 51 N 3.88 0.46 -0.90 4.37 0.00 -1.26 -1.42 119.26 124.39 1woh h ALA 51 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1woh h ALA 51 Cb 0.66 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1woh h ALA 51 CO 0.00 -0.16 0.53 -1.35 0.00 0.00 0.00 179.25 178.27 1woh h PRO 52 N 0.40 0.82 -0.23 0.00 0.11 -1.74 0.38 132.00 131.74 1woh h PRO 52 Ca 0.15 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1woh h PRO 52 Cb 0.05 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 1woh h PRO 52 CO -0.10 0.54 -0.26 -0.09 -0.21 0.00 0.00 178.00 177.89 1woh h ARG 53 N 0.84 0.57 -0.80 1.05 2.43 -1.79 -1.80 114.38 114.88 1woh h ARG 53 Ca 0.45 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1woh h ARG 53 Cb 0.48 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1woh h ARG 53 CO -0.28 0.91 0.35 0.00 -1.51 0.00 0.00 179.97 179.44 1woh h ALA 54 N 0.65 1.10 -0.59 2.80 0.00 -0.46 -1.21 119.26 121.55 1woh h ALA 54 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1woh h ALA 54 Cb 0.82 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1woh h ALA 54 CO 0.06 0.66 -0.04 -0.07 0.00 0.00 0.00 179.25 179.86 1woh h LEU 55 N 1.16 1.04 -0.27 0.00 3.38 -0.21 0.22 115.31 120.63 1woh h LEU 55 Ca 0.27 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1woh h LEU 55 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1woh h LEU 55 CO -0.03 1.11 0.14 0.03 0.09 0.00 0.00 178.44 179.78 1woh h ARG 56 N 0.96 0.38 -0.40 1.13 3.08 -0.96 0.39 114.38 118.96 1woh h ARG 56 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1woh h ARG 56 Cb 0.60 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1woh h ARG 56 CO 0.04 0.36 0.22 0.93 -1.07 0.00 0.00 179.97 180.45 1woh h GLU 57 N 0.30 0.55 0.00 0.04 5.08 -1.04 -2.49 114.58 117.02 1woh h GLU 57 Ca 0.09 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1woh h GLU 57 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1woh h GLU 57 CO -0.01 0.44 -0.22 0.00 -1.00 0.00 0.00 179.01 178.21 1woh h ALA 58 N 1.08 1.44 0.00 3.43 0.00 -0.73 -2.38 119.26 122.10 1woh h ALA 58 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 58 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1woh h ALA 58 CO -0.02 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1woh h SER 59 N 0.00 0.00 0.37 0.00 4.64 -0.44 -2.06 113.55 116.06 1woh h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1woh h SER 59 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1woh h SER 59 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 1woh n LEU 60 N -2.75 0.11 -0.33 5.97 4.77 -0.90 -0.07 117.00 123.81 1woh n LEU 60 Ca 0.00 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1woh n LEU 60 Cb 0.22 -0.53 0.24 0.00 -2.33 0.00 0.00 43.42 41.02 1woh n LEU 60 CO 0.22 -0.39 0.53 0.54 -1.33 0.00 0.00 177.39 176.95 1woh n ARG 61 N -1.63 0.95 -2.85 3.23 5.12 -0.78 -4.34 116.66 116.36 1woh n ARG 61 Ca 0.02 -0.66 -0.16 0.00 -1.93 0.00 0.00 57.85 55.12 1woh n ARG 61 Cb 0.13 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 29.94 1woh n ARG 61 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1woh n SER 62 N -0.45 1.95 -4.70 0.55 7.64 0.89 -5.09 113.62 114.41 1woh n SER 62 Ca 0.11 -3.04 -0.42 0.00 1.01 0.00 0.00 58.87 56.53 1woh n SER 62 Cb 0.39 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1woh n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1woh s VAL 63 N -3.32 4.86 0.75 0.44 1.01 -1.18 -4.86 120.40 118.10 1woh s VAL 63 Ca 0.36 1.97 -0.11 0.00 0.00 0.00 0.00 61.98 64.20 1woh s VAL 63 Cb 0.40 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1woh s VAL 63 CO -0.05 0.11 1.09 -2.16 0.00 0.00 0.00 175.10 174.08 1woh s PRO 64 N 1.40 2.48 0.91 2.72 0.04 -1.26 -4.71 135.00 136.57 1woh s PRO 64 Ca 0.49 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1woh s PRO 64 Cb -0.19 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.53 1woh s PRO 64 CO 0.23 -1.35 1.25 -1.25 0.04 0.00 0.00 177.00 175.91 1woh s PRO 65 N -5.18 1.14 -0.12 0.56 0.04 -1.26 -5.12 135.00 125.06 1woh s PRO 65 Ca 0.59 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.51 1woh s PRO 65 Cb -0.13 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1woh s PRO 65 CO 0.54 -2.12 -0.17 -0.06 0.04 0.00 0.00 177.00 175.23 1woh s PHE 66 N -3.69 2.15 -0.31 0.56 0.40 -0.73 -4.97 117.98 111.38 1woh s PHE 66 Ca 0.68 -1.04 -0.10 0.00 -0.60 0.00 0.00 56.93 55.87 1woh s PHE 66 Cb -0.08 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 1woh s PHE 66 CO 0.51 -0.52 0.16 0.99 0.70 0.00 0.00 175.22 177.06 1woh s THR 67 N 0.98 4.63 1.10 0.64 2.01 -1.26 -0.46 115.64 123.28 1woh s THR 67 Ca -0.06 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.33 1woh s THR 67 Cb -0.15 -3.37 0.26 0.00 0.01 0.00 0.00 72.50 69.24 1woh s THR 67 CO -0.02 0.05 1.22 -0.83 -0.69 0.00 0.00 174.62 174.35 1woh s GLY 68 N 1.62 1.69 0.49 4.40 0.00 -0.09 -4.86 107.32 110.56 1woh s GLY 68 Ca 0.05 -1.12 0.18 0.00 0.00 0.00 0.00 44.72 43.82 1woh s GLY 68 CO 0.06 -0.26 2.08 -2.00 0.00 0.00 0.00 173.10 172.98 1woh h LEU 69 N -2.19 0.00 0.00 0.66 5.85 -1.98 -0.39 115.31 117.25 1woh h LEU 69 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1woh h LEU 69 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1woh h LEU 69 CO 0.34 0.10 0.00 -0.90 -0.34 0.00 0.00 178.44 177.63 1woh n ASP 70 N -4.29 0.00 0.00 1.25 5.68 -1.26 -4.89 116.55 113.05 1woh n ASP 70 Ca -0.03 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1woh n ASP 70 Cb 0.18 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1woh n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1woh n GLY 71 N 1.13 0.98 3.76 6.12 0.00 -0.16 -5.03 105.19 112.00 1woh n GLY 71 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1woh n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woh s LYS 72 N -0.40 4.52 -0.11 1.61 1.02 -1.26 -4.77 119.74 120.36 1woh s LYS 72 Ca 0.00 1.10 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 1woh s LYS 72 Cb 0.00 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1woh s LYS 72 CO 0.00 0.41 0.08 0.99 -0.92 0.00 0.00 175.35 175.92 1woh s THR 73 N -0.55 5.00 0.16 2.17 2.01 -1.26 -0.92 115.64 122.25 1woh s THR 73 Ca 0.37 0.02 0.11 0.00 0.31 0.00 0.00 61.69 62.50 1woh s THR 73 Cb -0.22 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1woh s THR 73 CO 0.24 0.61 -0.24 -0.13 -0.69 0.00 0.00 174.62 174.41 1woh s ARG 74 N -0.94 1.41 -1.32 4.92 0.52 0.39 -4.64 118.95 119.29 1woh s ARG 74 Ca 0.14 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1woh s ARG 74 Cb -0.12 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.58 1woh s ARG 74 CO 0.03 0.40 0.00 1.28 0.02 0.00 0.00 175.30 177.03 1woh n LEU 75 N 0.61 -0.86 -4.66 2.53 4.77 -1.26 -1.77 117.00 116.35 1woh n LEU 75 Ca -0.15 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1woh n LEU 75 Cb 0.55 -1.99 -0.03 0.00 -2.33 0.00 0.00 43.42 39.62 1woh n LEU 75 CO 0.26 -0.69 1.32 -1.58 -1.33 0.00 0.00 177.39 175.37 1woh s GLN 76 N -3.01 4.20 0.00 3.23 2.00 -1.26 -1.98 119.66 122.84 1woh s GLN 76 Ca 0.00 2.12 0.00 0.00 -2.00 0.00 0.00 55.36 55.48 1woh s GLN 76 Cb 0.00 -3.91 0.00 0.00 0.80 0.00 0.00 33.01 29.90 1woh s GLN 76 CO 0.00 -0.80 0.00 0.41 -0.50 0.00 0.00 175.29 174.40 1woh n GLY 77 N 4.03 1.74 3.64 2.59 0.00 -1.26 -5.00 105.19 110.93 1woh n GLY 77 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1woh n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1woh s VAL 78 N -3.20 4.31 0.31 1.61 1.01 -0.84 -5.01 120.40 118.61 1woh s VAL 78 Ca 0.00 1.53 -0.18 0.00 0.00 0.00 0.00 61.98 63.33 1woh s VAL 78 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1woh s VAL 78 CO 0.00 -0.35 0.78 0.42 0.00 0.00 0.00 175.10 175.95 1woh s THR 79 N 3.86 4.57 0.20 3.92 -4.23 -1.26 -4.96 115.64 117.73 1woh s THR 79 Ca 0.52 1.18 0.08 0.00 -1.18 0.00 0.00 61.69 62.30 1woh s THR 79 Cb -0.17 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 1woh s THR 79 CO 0.17 -0.08 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.65 1woh s PHE 80 N -1.87 1.79 0.01 3.99 0.40 -1.26 -1.17 117.98 119.87 1woh s PHE 80 Ca 0.52 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 56.18 1woh s PHE 80 Cb -0.12 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.59 1woh s PHE 80 CO 0.18 0.38 0.34 0.00 0.70 0.00 0.00 175.22 176.82 1woh s ALA 81 N -2.61 -0.85 -0.22 5.36 0.00 -0.19 -4.31 121.76 118.94 1woh s ALA 81 Ca 0.21 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1woh s ALA 81 Cb -0.03 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1woh s ALA 81 CO 0.07 -0.33 -0.12 0.34 0.00 0.00 0.00 175.76 175.72 1woh s ASP 82 N -1.59 3.82 -0.03 0.00 -1.08 -0.17 -1.22 116.67 116.40 1woh s ASP 82 Ca -0.10 -1.08 0.07 0.00 -0.52 0.00 0.00 52.55 50.92 1woh s ASP 82 Cb -0.03 -1.42 0.25 0.00 -1.46 0.00 0.00 42.92 40.25 1woh s ASP 82 CO 0.02 -0.14 1.11 0.00 0.52 0.00 0.00 175.17 176.68 1woh n ALA 83 N 4.56 2.63 -0.45 3.66 0.00 0.70 -0.58 120.51 131.03 1woh n ALA 83 Ca -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1woh n ALA 83 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1woh n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woh n GLY 84 N 0.69 -0.02 3.59 0.00 0.00 -1.26 -4.25 105.19 103.94 1woh n GLY 84 Ca 0.09 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 1woh n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1woh s ASP 85 N -4.00 4.37 0.25 1.61 1.01 -1.26 -0.80 116.67 117.86 1woh s ASP 85 Ca 0.00 -0.55 -0.30 0.00 0.71 0.00 0.00 52.55 52.41 1woh s ASP 85 Cb 0.00 -0.79 -0.09 0.00 1.01 0.00 0.00 42.92 43.05 1woh s ASP 85 CO 0.00 0.09 1.31 -0.69 0.21 0.00 0.00 175.17 176.09 1woh s VAL 86 N -1.77 3.03 -0.59 -1.27 1.01 -0.23 -4.91 120.40 115.67 1woh s VAL 86 Ca 0.26 0.91 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 1woh s VAL 86 Cb -0.09 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1woh s VAL 86 CO 0.16 0.17 1.16 -0.63 0.00 0.00 0.00 175.10 175.96 1woh s ILE 87 N -0.38 4.05 0.12 2.22 1.01 -1.26 -4.79 121.20 122.18 1woh s ILE 87 Ca 0.54 0.77 -0.04 0.00 0.00 0.00 0.00 60.65 61.92 1woh s ILE 87 Cb -0.38 -4.71 -0.05 0.00 0.01 0.00 0.00 42.46 37.33 1woh s ILE 87 CO 0.43 -1.34 0.34 -0.76 0.00 0.00 0.00 174.94 173.61 1woh s LEU 88 N 4.86 4.29 0.74 2.97 1.43 -1.26 -4.97 118.68 126.73 1woh s LEU 88 Ca 0.40 0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1woh s LEU 88 Cb -0.08 -3.23 0.11 0.00 0.03 0.00 0.00 46.19 43.01 1woh s LEU 88 CO 0.24 0.08 1.03 -2.16 0.23 0.00 0.00 176.35 175.76 1woh s PRO 89 N -2.61 1.74 -0.00 1.29 0.04 -1.26 -5.05 135.00 129.14 1woh s PRO 89 Ca 0.40 -0.73 -0.19 0.00 0.04 0.00 0.00 61.00 60.52 1woh s PRO 89 Cb -0.12 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1woh s PRO 89 CO 0.25 -1.47 0.55 -1.12 0.04 0.00 0.00 177.00 175.26 1woh s SER 90 N -4.67 6.93 1.43 6.66 0.01 -1.26 -4.85 113.70 117.96 1woh s SER 90 Ca 0.65 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1woh s SER 90 Cb -0.07 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1woh s SER 90 CO 0.45 0.15 0.00 0.18 0.41 0.00 0.00 173.24 174.43 1woh n LEU 91 N 2.54 0.00 -4.13 2.44 4.77 -1.26 -4.88 117.00 116.48 1woh n LEU 91 Ca -0.08 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.45 1woh n LEU 91 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1woh n LEU 91 CO 0.42 0.00 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.64 1woh n GLU 92 N 14.00 -0.33 -0.33 3.23 -0.58 -1.26 -4.73 120.64 130.63 1woh n GLU 92 Ca 0.00 0.05 0.14 0.00 -0.42 0.00 0.00 57.16 56.93 1woh n GLU 92 Cb 0.00 -2.59 0.33 0.00 -0.57 0.00 0.00 31.44 28.61 1woh n GLU 92 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1woh h PRO 93 N -2.45 0.60 -0.76 3.49 0.13 -1.95 -1.56 132.00 129.50 1woh h PRO 93 Ca -0.70 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.35 1woh h PRO 93 Cb 1.39 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1woh h PRO 93 CO 0.55 0.40 0.31 0.37 -0.23 0.00 0.00 178.00 179.39 1woh h GLN 94 N 0.62 1.13 -0.37 0.86 4.15 -2.00 0.10 115.11 119.61 1woh h GLN 94 Ca 0.58 -0.20 -0.10 0.00 0.77 0.00 0.00 58.65 59.69 1woh h GLN 94 Cb 1.01 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1woh h GLN 94 CO -0.44 0.92 -0.18 1.25 -1.93 0.00 0.00 178.83 178.45 1woh h LEU 95 N 1.10 0.79 -0.60 -2.39 5.85 -1.68 -2.51 115.31 115.86 1woh h LEU 95 Ca 0.25 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1woh h LEU 95 Cb 0.21 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1woh h LEU 95 CO -0.02 1.03 0.31 0.00 -0.34 0.00 0.00 178.44 179.41 1woh h ALA 96 N 0.79 0.79 -0.45 1.25 0.00 -0.94 -0.25 119.26 120.46 1woh h ALA 96 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1woh h ALA 96 Cb 0.73 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1woh h ALA 96 CO 0.05 -0.03 0.17 0.45 0.00 0.00 0.00 179.25 179.89 1woh h HIS 97 N 0.58 0.30 -0.62 0.00 3.86 -0.78 0.01 115.15 118.49 1woh h HIS 97 Ca 0.27 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1woh h HIS 97 Cb 0.19 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1woh h HIS 97 CO -0.10 0.11 0.06 -0.44 0.86 0.00 0.00 177.93 178.43 1woh h ASP 98 N 0.34 1.02 -0.54 2.45 3.32 -0.95 -1.14 116.42 120.93 1woh h ASP 98 Ca 0.21 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1woh h ASP 98 Cb 0.19 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1woh h ASP 98 CO -0.21 1.05 0.34 0.03 -1.72 0.00 0.00 179.24 178.73 1woh h ARG 99 N 0.96 0.66 -0.22 3.56 2.47 -0.47 -1.78 114.38 119.57 1woh h ARG 99 Ca 0.18 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 1woh h ARG 99 Cb 0.49 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1woh h ARG 99 CO 0.02 0.44 0.07 0.82 0.56 0.00 0.00 179.97 181.88 1woh h ILE 100 N 0.68 1.19 -0.22 2.04 2.04 -0.76 -1.98 117.51 120.51 1woh h ILE 100 Ca 0.21 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1woh h ILE 100 Cb -0.02 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1woh h ILE 100 CO -0.07 0.19 0.14 0.74 0.00 0.00 0.00 178.15 179.15 1woh h THR 101 N 0.18 1.08 -0.41 -0.27 2.02 -1.03 -0.04 112.91 114.44 1woh h THR 101 Ca 0.07 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1woh h THR 101 Cb 0.24 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1woh h THR 101 CO -0.00 0.08 0.21 -0.08 0.37 0.00 0.00 175.52 176.09 1woh h GLU 102 N 0.28 0.58 -0.72 6.66 4.57 -1.31 -0.90 114.58 123.74 1woh h GLU 102 Ca 0.08 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1woh h GLU 102 Cb 0.01 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1woh h GLU 102 CO -0.02 0.50 0.33 0.00 -1.18 0.00 0.00 179.01 178.64 1woh h ALA 103 N 1.06 0.94 -0.68 2.92 0.00 -1.24 -1.62 119.26 120.63 1woh h ALA 103 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 103 Cb 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1woh h ALA 103 CO -0.02 0.52 0.27 0.00 0.00 0.00 0.00 179.25 180.02 1woh h ALA 104 N 1.16 1.19 -0.40 0.00 0.00 -0.64 -1.25 119.26 119.33 1woh h ALA 104 Ca 0.25 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 104 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1woh h ALA 104 CO -0.03 0.59 -0.28 0.00 0.00 0.00 0.00 179.25 179.53 1woh h ARG 105 N 0.98 0.89 -0.33 0.00 3.08 -0.78 -1.05 114.38 117.17 1woh h ARG 105 Ca 0.23 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1woh h ARG 105 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1woh h ARG 105 CO -0.02 1.08 0.21 1.96 -1.07 0.00 0.00 179.97 182.13 1woh h GLN 106 N 0.71 0.43 -0.64 0.04 4.20 -0.98 -1.33 115.11 117.54 1woh h GLN 106 Ca 0.08 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1woh h GLN 106 Cb 0.86 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1woh h GLN 106 CO 0.08 0.30 0.17 0.28 -0.67 0.00 0.00 178.83 178.98 1woh h VAL 107 N 0.44 1.25 -0.57 -0.54 2.07 -1.18 -2.78 116.25 114.94 1woh h VAL 107 Ca 0.12 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1woh h VAL 107 Cb -0.03 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1woh h VAL 107 CO -0.02 0.35 0.37 0.03 0.02 0.00 0.00 177.57 178.31 1woh h ARG 108 N 0.94 0.75 0.00 1.57 2.47 -0.81 -1.89 114.38 117.41 1woh h ARG 108 Ca 0.20 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1woh h ARG 108 Cb 0.35 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1woh h ARG 108 CO 0.00 0.51 0.00 0.41 0.56 0.00 0.00 179.97 181.45 1woh n GLY 109 N -1.43 -0.95 0.00 0.04 0.00 -0.54 -3.40 105.19 98.92 1woh n GLY 109 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1woh n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woh n ARG 110 N -0.83 -0.56 -4.19 1.61 1.74 -0.72 -5.07 116.66 108.64 1woh n ARG 110 Ca 0.15 -0.49 -0.16 0.00 -0.77 0.00 0.00 57.85 56.59 1woh n ARG 110 Cb 0.07 -0.91 -0.07 0.00 -1.02 0.00 0.00 32.46 30.52 1woh n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woh n ARG 112 N -0.51 0.58 -4.01 0.00 0.63 -0.31 -4.88 116.66 108.17 1woh n ARG 112 Ca 0.04 0.47 -0.31 0.00 -0.92 0.00 0.00 57.85 57.13 1woh n ARG 112 Cb 0.63 -1.66 -0.16 0.00 0.45 0.00 0.00 32.46 31.72 1woh n ARG 112 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1woh s VAL 113 N -2.42 1.73 0.06 5.15 1.01 -0.39 -4.85 120.40 120.70 1woh s VAL 113 Ca -0.32 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1woh s VAL 113 Cb 0.09 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1woh s VAL 113 CO 0.56 0.15 0.53 -2.16 0.00 0.00 0.00 175.10 174.19 1woh s PRO 114 N 1.35 4.13 -0.21 2.72 0.04 -1.26 -2.72 135.00 139.04 1woh s PRO 114 Ca -0.02 0.65 -0.01 0.00 0.04 0.00 0.00 61.00 61.66 1woh s PRO 114 Cb -0.17 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1woh s PRO 114 CO -0.08 0.65 -0.11 0.08 0.04 0.00 0.00 177.00 177.58 1woh s VAL 115 N -1.11 2.72 -0.20 -0.36 1.01 0.26 -2.06 120.40 120.65 1woh s VAL 115 Ca 0.28 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1woh s VAL 115 Cb -0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1woh s VAL 115 CO 0.18 0.40 0.09 -0.36 0.00 0.00 0.00 175.10 175.41 1woh s PHE 116 N 1.36 3.26 -0.31 5.22 0.40 0.32 -1.00 117.98 127.23 1woh s PHE 116 Ca 0.04 0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.36 1woh s PHE 116 Cb -0.14 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.25 1woh s PHE 116 CO -0.07 0.09 0.11 -0.51 0.70 0.00 0.00 175.22 175.54 1woh s LEU 117 N 0.65 4.02 0.83 -0.37 1.43 -0.29 -1.18 118.68 123.76 1woh s LEU 117 Ca 0.05 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1woh s LEU 117 Cb -0.13 -1.93 0.17 0.00 0.03 0.00 0.00 46.19 44.33 1woh s LEU 117 CO 0.01 -0.22 1.14 -0.83 0.23 0.00 0.00 176.35 176.69 1woh s GLY 118 N 1.53 1.77 0.00 -3.19 0.00 -0.16 -0.28 107.32 107.00 1woh s GLY 118 Ca 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1woh s GLY 118 CO 0.04 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1woh n GLY 119 N -3.23 0.83 3.75 0.20 0.00 -0.31 -3.26 105.19 103.16 1woh n GLY 119 Ca 0.16 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1woh n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1woh s ASP 120 N -0.62 3.46 0.26 1.61 1.47 0.56 -0.96 116.67 122.45 1woh s ASP 120 Ca 0.00 1.19 0.18 0.00 1.18 0.00 0.00 52.55 55.11 1woh s ASP 120 Cb 0.00 -1.85 0.97 0.00 -0.34 0.00 0.00 42.92 41.70 1woh s ASP 120 CO 0.00 -2.61 1.56 1.57 0.68 0.00 0.00 175.17 176.37 1woh n HIS 121 N -3.83 0.62 0.26 2.11 -0.00 -1.26 -2.42 115.22 110.70 1woh n HIS 121 Ca 0.06 0.31 0.11 0.00 -0.00 0.00 0.00 57.72 58.20 1woh n HIS 121 Cb 0.57 -1.00 0.71 0.00 -0.00 0.00 0.00 29.99 30.27 1woh n HIS 121 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1woh h SER 122 N 0.00 0.00 0.09 0.26 4.64 -1.80 -2.29 113.55 114.44 1woh h SER 122 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1woh h SER 122 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1woh h SER 122 CO 0.00 0.09 -0.01 -0.37 -0.87 0.00 0.00 176.83 175.67 1woh h VAL 123 N 0.00 0.22 -0.17 0.95 -1.51 -1.83 -2.39 116.25 111.51 1woh h VAL 123 Ca -0.00 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 65.39 1woh h VAL 123 Cb 0.21 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1woh h VAL 123 CO 0.01 0.01 0.07 0.28 -1.23 0.00 0.00 177.57 176.72 1woh h SER 124 N 0.00 0.21 0.78 4.19 0.02 -1.66 -2.07 113.55 115.01 1woh h SER 124 Ca -0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1woh h SER 124 Cb 0.06 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1woh h SER 124 CO 0.00 0.19 -0.37 0.22 -1.14 0.00 0.00 176.83 175.73 1woh h TYR 125 N 0.24 -0.97 0.00 3.45 3.20 -1.61 -0.03 116.97 121.25 1woh h TYR 125 Ca 0.06 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1woh h TYR 125 Cb 0.04 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1woh h TYR 125 CO 0.00 -0.60 -0.10 -1.00 -1.64 0.00 0.00 178.16 174.82 1woh h PRO 126 N -1.14 0.00 -0.22 1.82 0.13 -1.72 -2.07 132.00 128.80 1woh h PRO 126 Ca -0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 1woh h PRO 126 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1woh h PRO 126 CO 0.17 0.10 -0.05 1.25 -0.23 0.00 0.00 178.00 179.24 1woh h LEU 127 N 0.00 0.43 -1.44 1.56 5.85 -1.26 -3.08 115.31 117.37 1woh h LEU 127 Ca -0.00 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1woh h LEU 127 Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1woh h LEU 127 CO 0.01 0.70 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.46 1woh h LEU 128 N 0.16 0.00 -2.69 2.25 3.38 -0.32 -2.09 115.31 116.00 1woh h LEU 128 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1woh h LEU 128 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1woh h LEU 128 CO 0.02 0.28 -0.00 0.03 0.09 0.00 0.00 178.44 178.86 1woh h ARG 129 N 0.00 0.00 0.00 1.13 3.08 -1.35 0.19 114.38 117.43 1woh h ARG 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1woh h ARG 129 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1woh h ARG 129 CO 0.04 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 1woh n ALA 130 N -2.20 2.11 -1.28 0.04 0.00 -0.78 -2.74 120.51 115.66 1woh n ALA 130 Ca -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1woh n ALA 130 Cb 0.08 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.41 1woh n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1woh n PHE 131 N -1.24 0.67 0.29 0.00 3.01 0.68 -4.69 117.46 116.18 1woh n PHE 131 Ca 0.11 -1.28 0.14 0.00 1.01 0.00 0.00 57.45 57.43 1woh n PHE 131 Cb 0.15 -0.34 0.64 0.00 -0.01 0.00 0.00 39.48 39.92 1woh n PHE 131 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1woh h ALA 132 N 1.02 1.00 -0.38 4.37 0.00 -1.62 -2.17 119.26 121.47 1woh h ALA 132 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1woh h ALA 132 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1woh h ALA 132 CO 0.21 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1woh n ASP 133 N -2.46 2.64 -4.62 0.00 3.85 -1.26 -4.88 116.55 109.83 1woh n ASP 133 Ca 0.00 -1.92 -0.39 0.00 -0.71 0.00 0.00 54.79 51.78 1woh n ASP 133 Cb 0.15 -0.25 -0.09 0.00 -1.35 0.00 0.00 41.12 39.58 1woh n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1woh s VAL 134 N -1.50 5.21 0.26 2.12 1.01 -0.82 -5.06 120.40 121.63 1woh s VAL 134 Ca 0.35 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1woh s VAL 134 Cb 0.19 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1woh s VAL 134 CO 0.27 0.20 1.18 -2.16 0.00 0.00 0.00 175.10 174.58 1woh s PRO 135 N 1.84 4.53 -1.35 2.72 0.04 -1.26 -3.75 135.00 137.77 1woh s PRO 135 Ca 0.14 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 1woh s PRO 135 Cb -0.15 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 1woh s PRO 135 CO 0.09 0.02 0.49 -0.25 0.04 0.00 0.00 177.00 177.40 1woh n ASP 136 N 1.53 -1.26 -4.69 6.66 8.00 -1.22 -4.71 116.55 120.86 1woh n ASP 136 Ca 0.01 -1.01 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 1woh n ASP 136 Cb 0.44 -3.08 -0.03 0.00 -0.02 0.00 0.00 41.12 38.43 1woh n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1woh s LEU 137 N -6.89 4.35 0.03 0.64 2.96 0.75 -4.30 118.68 116.21 1woh s LEU 137 Ca 0.10 2.33 0.04 0.00 -0.22 0.00 0.00 54.13 56.38 1woh s LEU 137 Cb -0.04 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1woh s LEU 137 CO 0.89 -0.81 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.05 1woh s HIS 138 N 2.42 2.89 -0.08 5.38 3.76 0.39 -1.65 115.29 128.41 1woh s HIS 138 Ca 0.69 -0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1woh s HIS 138 Cb -0.36 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1woh s HIS 138 CO 0.30 0.40 -0.19 0.08 -0.85 0.00 0.00 174.74 174.48 1woh s VAL 139 N -1.09 1.69 -0.36 -0.90 1.01 -0.56 -1.03 120.40 119.17 1woh s VAL 139 Ca 0.19 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1woh s VAL 139 Cb -0.11 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1woh s VAL 139 CO 0.10 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 175.14 1woh s VAL 140 N 0.42 4.00 -0.32 2.92 1.01 -0.63 -0.81 120.40 126.99 1woh s VAL 140 Ca -0.16 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 1woh s VAL 140 Cb -0.17 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1woh s VAL 140 CO 0.07 -0.23 0.10 -1.58 0.00 0.00 0.00 175.10 173.46 1woh s GLN 141 N 1.44 2.89 -0.25 2.72 0.74 0.03 -1.45 119.66 125.78 1woh s GLN 141 Ca -0.00 -1.00 -0.20 0.00 0.05 0.00 0.00 55.36 54.21 1woh s GLN 141 Cb -0.20 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1woh s GLN 141 CO 0.04 -0.55 0.61 -0.51 -0.55 0.00 0.00 175.29 174.32 1woh s LEU 142 N 1.47 4.07 -0.08 3.68 1.43 -0.20 -0.52 118.68 128.52 1woh s LEU 142 Ca 0.01 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 1woh s LEU 142 Cb -0.18 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.31 1woh s LEU 142 CO 0.03 -0.34 0.82 -0.62 0.23 0.00 0.00 176.35 176.46 1woh s ASP 143 N 1.45 -0.52 0.26 2.29 -1.08 -0.71 -1.44 116.67 116.92 1woh s ASP 143 Ca 0.26 0.52 0.20 0.00 -0.52 0.00 0.00 52.55 53.01 1woh s ASP 143 Cb -0.16 0.44 0.08 0.00 -1.46 0.00 0.00 42.92 41.82 1woh s ASP 143 CO 0.09 -0.52 1.23 0.00 0.52 0.00 0.00 175.17 176.49 1woh h ALA 144 N 2.72 0.70 -3.67 3.66 0.00 -1.74 -2.81 119.26 118.12 1woh h ALA 144 Ca -0.23 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.93 1woh h ALA 144 Cb 1.16 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1woh h ALA 144 CO 0.35 0.27 -0.81 -1.01 0.00 0.00 0.00 179.25 178.05 1woh s HIS 145 N -3.17 1.61 0.27 0.00 3.76 -1.26 -1.78 115.29 114.72 1woh s HIS 145 Ca 0.02 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1woh s HIS 145 Cb 0.08 -0.90 0.36 0.00 1.11 0.00 0.00 32.58 33.23 1woh s HIS 145 CO 0.75 0.14 1.90 1.25 -0.85 0.00 0.00 174.74 177.93 1woh h LEU 146 N 4.29 0.96 -1.56 0.89 5.85 -1.95 -3.47 115.31 120.33 1woh h LEU 146 Ca -0.44 -0.08 -0.46 0.00 0.84 0.00 0.00 57.88 57.75 1woh h LEU 146 Cb 1.18 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1woh h LEU 146 CO 0.41 0.77 -0.82 0.47 -0.34 0.00 0.00 178.44 178.93 1woh n ASP 147 N -4.35 -2.07 -0.25 1.25 8.00 -1.26 -4.87 116.55 113.00 1woh n ASP 147 Ca 0.08 -0.85 0.08 0.00 0.71 0.00 0.00 54.79 54.80 1woh n ASP 147 Cb 0.10 -3.76 0.13 0.00 -0.02 0.00 0.00 41.12 37.57 1woh n ASP 147 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1woh n PHE 148 N -4.41 0.00 -2.23 1.24 7.35 -1.08 -3.08 117.46 115.24 1woh n PHE 148 Ca -0.19 -0.91 -0.38 0.00 -0.76 0.00 0.00 57.45 55.21 1woh n PHE 148 Cb 0.63 -0.15 -0.01 0.00 0.35 0.00 0.00 39.48 40.30 1woh n PHE 148 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1woh s THR 149 N -2.44 3.04 -0.12 -2.13 2.01 -0.65 -4.60 115.64 110.75 1woh s THR 149 Ca 0.28 0.82 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 1woh s THR 149 Cb 0.26 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1woh s THR 149 CO 0.01 0.03 -0.05 -0.78 -0.69 0.00 0.00 174.62 173.14 1woh h ASP 150 N 2.28 0.00 -4.36 3.53 3.58 -1.92 -3.36 116.42 116.16 1woh h ASP 150 Ca -0.49 -0.04 -0.57 0.00 0.42 0.00 0.00 57.03 56.35 1woh h ASP 150 Cb 1.24 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 42.00 1woh h ASP 150 CO 0.61 0.65 -0.84 -0.89 -2.88 0.00 0.00 179.24 175.89 1woh s THR 151 N -1.89 1.47 -0.13 2.25 2.01 -1.26 -4.58 115.64 113.51 1woh s THR 151 Ca -0.08 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 1woh s THR 151 Cb 0.01 -1.23 0.05 0.00 0.01 0.00 0.00 72.50 71.34 1woh s THR 151 CO 0.13 0.42 0.33 -0.60 -0.69 0.00 0.00 174.62 174.20 1woh s ARG 152 N -0.43 0.31 -1.50 4.92 3.52 -0.89 -4.92 118.95 119.95 1woh s ARG 152 Ca 0.07 0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 56.26 1woh s ARG 152 Cb -0.07 -0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.31 1woh s ARG 152 CO -0.01 -0.14 0.40 0.09 -0.81 0.00 0.00 175.30 174.83 1woh n ASN 153 N 4.06 -0.61 -2.81 -2.12 4.13 -1.26 -1.63 115.26 115.02 1woh n ASN 153 Ca -0.23 -1.07 -0.21 0.00 1.68 0.00 0.00 54.58 54.75 1woh n ASN 153 Cb 0.55 -2.65 0.01 0.00 -1.54 0.00 0.00 39.78 36.15 1woh n ASN 153 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1woh n ASP 154 N -2.89 -5.58 -3.87 6.41 8.00 -1.26 -4.99 116.55 112.36 1woh n ASP 154 Ca -0.23 -0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.00 1woh n ASP 154 Cb 0.65 -4.58 -0.09 0.00 -0.02 0.00 0.00 41.12 37.08 1woh n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woh s THR 155 N -3.05 0.11 -0.73 -3.53 -1.32 -0.65 -5.03 115.64 101.43 1woh s THR 155 Ca 0.19 -0.90 0.20 0.00 -1.21 0.00 0.00 61.69 59.96 1woh s THR 155 Cb -0.09 -0.82 -0.23 0.00 -1.51 0.00 0.00 72.50 69.85 1woh s THR 155 CO 0.23 -0.50 0.75 0.29 -2.21 0.00 0.00 174.62 173.19 1woh n LYS 156 N 0.84 0.54 -0.72 7.08 4.76 -1.26 -2.10 118.16 127.30 1woh n LYS 156 Ca -0.20 -0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.29 1woh n LYS 156 Cb 0.58 -1.44 0.36 0.00 -1.84 0.00 0.00 35.03 32.70 1woh n LYS 156 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1woh n TRP 157 N -1.62 1.67 -1.43 2.13 7.02 -1.26 -4.77 117.44 119.18 1woh n TRP 157 Ca 0.02 -0.70 -0.30 0.00 -1.02 0.00 0.00 57.50 55.50 1woh n TRP 157 Cb 0.35 -0.38 0.10 0.00 -2.42 0.00 0.00 31.31 28.97 1woh n TRP 157 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1woh s SER 158 N -1.00 4.20 0.00 -0.99 1.04 -1.26 -4.86 113.70 110.83 1woh s SER 158 Ca 0.51 1.40 0.09 0.00 0.48 0.00 0.00 55.95 58.44 1woh s SER 158 Cb 0.37 -2.13 0.49 0.00 0.10 0.00 0.00 66.02 64.85 1woh s SER 158 CO 0.18 -2.17 1.14 -0.46 0.98 0.00 0.00 173.24 172.92 1woh n ASN 159 N -3.57 0.00 -0.07 7.02 6.94 -0.94 -2.17 115.26 122.47 1woh n ASN 159 Ca 0.07 0.06 0.13 0.00 -0.02 0.00 0.00 54.58 54.82 1woh n ASN 159 Cb 0.56 -0.23 0.38 0.00 -2.36 0.00 0.00 39.78 38.13 1woh n ASN 159 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1woh n SER 160 N -1.23 0.54 -0.20 0.53 7.64 -1.26 -4.33 113.62 115.31 1woh n SER 160 Ca 0.05 -0.33 0.02 0.00 1.01 0.00 0.00 58.87 59.62 1woh n SER 160 Cb 0.07 0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1woh n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1woh n SER 161 N -1.23 1.60 -0.26 6.43 7.64 -0.92 -1.64 113.62 125.24 1woh n SER 161 Ca 0.08 -1.37 -0.02 0.00 1.01 0.00 0.00 58.87 58.58 1woh n SER 161 Cb 0.33 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1woh n SER 161 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1woh h PRO 162 N 0.89 -0.07 0.00 1.43 0.13 -1.70 -0.65 132.00 132.03 1woh h PRO 162 Ca 0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1woh h PRO 162 Cb 0.28 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1woh h PRO 162 CO 0.00 -0.05 -0.17 0.74 -0.23 0.00 0.00 178.00 178.29 1woh h PHE 163 N -0.08 0.00 -0.12 1.56 -1.00 -1.87 -0.62 116.94 114.82 1woh h PHE 163 Ca 0.30 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.97 1woh h PHE 163 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1woh h PHE 163 CO -0.66 0.17 -0.37 -0.09 -1.61 0.00 0.00 178.31 175.75 1woh h ARG 164 N 0.00 0.45 -0.62 1.51 9.65 -1.32 -1.78 114.38 122.27 1woh h ARG 164 Ca -0.00 -0.33 -0.10 0.00 -1.10 0.00 0.00 59.98 58.45 1woh h ARG 164 Cb 0.72 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1woh h ARG 164 CO 0.02 0.95 0.01 0.00 2.80 0.00 0.00 179.97 183.76 1woh h ARG 165 N 0.04 1.09 -0.26 0.20 2.47 -0.97 -2.70 114.38 114.25 1woh h ARG 165 Ca -0.01 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 58.35 1woh h ARG 165 Cb 0.99 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1woh h ARG 165 CO 0.08 1.05 0.10 0.00 0.56 0.00 0.00 179.97 181.76 1woh h ALA 166 N 1.00 0.33 -0.78 0.04 0.00 -1.09 -2.41 119.26 116.35 1woh h ALA 166 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1woh h ALA 166 Cb 0.55 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1woh h ALA 166 CO 0.03 -0.07 0.34 0.00 0.00 0.00 0.00 179.25 179.55 1woh n GLU 168 N -4.33 0.16 -0.00 0.00 0.28 -1.02 -2.88 120.64 112.84 1woh n GLU 168 Ca 0.07 0.21 0.09 0.00 -0.16 0.00 0.00 57.16 57.37 1woh n GLU 168 Cb 0.16 -1.72 -0.13 0.00 1.43 0.00 0.00 31.44 31.18 1woh n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1woh n ALA 169 N -1.69 3.42 -3.66 -1.84 0.00 -0.91 -4.79 120.51 111.04 1woh n ALA 169 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 1woh n ALA 169 Cb 0.34 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.02 1woh n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1woh s LEU 170 N -3.69 2.61 0.39 0.00 1.43 0.64 -4.95 118.68 115.12 1woh s LEU 170 Ca -0.01 -2.84 0.27 0.00 -1.03 0.00 0.00 54.13 50.53 1woh s LEU 170 Cb 0.13 -0.96 1.40 0.00 0.03 0.00 0.00 46.19 46.79 1woh s LEU 170 CO 0.77 -0.23 1.84 1.55 0.23 0.00 0.00 176.35 180.51 1woh h PRO 171 N 6.37 0.00 0.00 1.29 0.13 -1.85 -0.52 132.00 137.42 1woh h PRO 171 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1woh h PRO 171 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1woh h PRO 171 CO 0.48 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.52 1woh n ASN 172 N -2.48 0.15 -4.51 1.44 6.94 -1.26 -4.26 115.26 111.28 1woh n ASN 172 Ca -0.01 0.52 -0.43 0.00 -0.02 0.00 0.00 54.58 54.65 1woh n ASN 172 Cb 0.10 -0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 36.93 1woh n ASN 172 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1woh s LEU 173 N -3.31 4.35 0.39 -4.53 0.20 -0.21 -0.18 118.68 115.40 1woh s LEU 173 Ca 0.10 -1.97 0.26 0.00 0.69 0.00 0.00 54.13 53.21 1woh s LEU 173 Cb 0.14 -2.48 0.73 0.00 -0.43 0.00 0.00 46.19 44.14 1woh s LEU 173 CO 0.42 -1.21 1.74 -0.37 -0.29 0.00 0.00 176.35 176.64 1woh h VAL 174 N 6.04 0.00 -1.74 1.68 -1.51 -1.49 -3.48 116.25 115.75 1woh h VAL 174 Ca 0.22 -0.70 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 1woh h VAL 174 Cb 0.99 1.68 -0.22 0.00 -2.13 0.00 0.00 31.29 31.61 1woh h VAL 174 CO 1.28 0.00 0.40 -2.28 -1.23 0.00 0.00 177.57 175.74 1woh s HIS 175 N -3.29 -0.49 -0.03 5.19 5.65 -1.23 -4.94 115.29 116.15 1woh s HIS 175 Ca 0.06 0.87 0.03 0.00 0.25 0.00 0.00 55.06 56.28 1woh s HIS 175 Cb 0.08 0.43 0.00 0.00 -1.18 0.00 0.00 32.58 31.91 1woh s HIS 175 CO 0.60 -0.44 -0.10 0.42 -0.65 0.00 0.00 174.74 174.57 1woh s ILE 176 N -1.04 0.86 -0.29 0.89 1.01 -1.26 -1.50 121.20 119.87 1woh s ILE 176 Ca -0.05 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1woh s ILE 176 Cb -0.01 -0.76 0.06 0.00 0.01 0.00 0.00 42.46 41.77 1woh s ILE 176 CO 0.04 0.26 -0.05 -0.89 0.00 0.00 0.00 174.94 174.31 1woh s THR 177 N 0.15 2.49 -0.23 2.92 2.01 0.01 -0.92 115.64 122.07 1woh s THR 177 Ca -0.03 -1.64 -0.09 0.00 0.31 0.00 0.00 61.69 60.24 1woh s THR 177 Cb -0.09 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1woh s THR 177 CO 0.01 -0.14 0.12 -0.89 -0.69 0.00 0.00 174.62 173.03 1woh s THR 178 N 1.13 4.98 -0.06 -0.82 2.01 -0.33 -0.79 115.64 121.76 1woh s THR 178 Ca -0.05 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.04 1woh s THR 178 Cb -0.20 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 1woh s THR 178 CO -0.04 0.36 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.36 1woh s VAL 179 N 1.10 1.66 0.00 3.82 1.01 0.32 -0.49 120.40 127.82 1woh s VAL 179 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1woh s VAL 179 Cb -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1woh s VAL 179 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1woh n GLY 180 N 3.20 0.97 3.70 4.51 0.00 -0.53 -1.74 105.19 115.29 1woh n GLY 180 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1woh n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woh n LEU 181 N 0.00 3.52 -3.79 0.99 4.77 -1.06 -4.09 117.00 117.34 1woh n LEU 181 Ca 0.00 1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 57.13 1woh n LEU 181 Cb 0.00 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 1woh n LEU 181 CO 0.00 -0.37 0.82 0.00 -1.33 0.00 0.00 177.39 176.51 1woh s ARG 182 N -1.02 1.11 0.00 3.23 1.70 -0.74 -0.31 118.95 122.92 1woh s ARG 182 Ca 0.62 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1woh s ARG 182 Cb -0.59 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.13 1woh s ARG 182 CO 0.55 -0.51 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 1woh n GLY 183 N -0.58 2.30 0.10 3.88 0.00 -1.26 -4.68 105.19 104.94 1woh n GLY 183 Ca -0.05 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.91 1woh n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woh n LEU 184 N 0.00 0.75 -4.37 0.99 4.77 -1.26 -4.90 117.00 112.99 1woh n LEU 184 Ca 0.00 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 55.96 1woh n LEU 184 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1woh n LEU 184 CO 0.00 -0.04 -0.48 -0.60 -1.33 0.00 0.00 177.39 174.93 1woh s ARG 185 N -3.21 2.97 -0.01 3.23 3.52 -1.26 -5.11 118.95 119.07 1woh s ARG 185 Ca -0.02 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1woh s ARG 185 Cb 0.10 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 1woh s ARG 185 CO 0.81 0.35 -0.03 -0.06 -0.81 0.00 0.00 175.30 175.56 1woh s PHE 186 N -0.03 0.34 -0.50 5.12 0.40 -1.26 -5.06 117.98 116.99 1woh s PHE 186 Ca -0.04 -0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1woh s PHE 186 Cb -0.14 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.16 1woh s PHE 186 CO 0.04 -0.03 1.26 0.34 0.70 0.00 0.00 175.22 177.54 1woh s ASP 187 N 0.08 6.44 0.42 1.36 -1.08 -1.26 -4.89 116.67 117.75 1woh s ASP 187 Ca -0.00 0.43 0.10 0.00 -0.52 0.00 0.00 52.55 52.56 1woh s ASP 187 Cb -0.03 -2.55 0.95 0.00 -1.46 0.00 0.00 42.92 39.83 1woh s ASP 187 CO -0.00 -1.43 2.03 1.55 0.52 0.00 0.00 175.17 177.84 1woh h PRO 188 N 9.95 0.46 -0.13 4.34 0.13 -1.99 0.54 132.00 145.29 1woh h PRO 188 Ca -0.25 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1woh h PRO 188 Cb 1.07 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1woh h PRO 188 CO 1.14 0.30 -0.02 1.49 -0.23 0.00 0.00 178.00 180.68 1woh h GLU 189 N 0.47 0.25 -0.31 0.86 4.22 -1.99 -2.08 114.58 116.00 1woh h GLU 189 Ca 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 1woh h GLU 189 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1woh h GLU 189 CO -0.05 0.53 0.11 0.00 -2.18 0.00 0.00 179.01 177.42 1woh h ALA 190 N 0.71 0.40 -0.92 2.92 0.00 -1.66 -1.84 119.26 118.88 1woh h ALA 190 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1woh h ALA 190 Cb 0.43 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1woh h ALA 190 CO 0.01 0.01 0.60 0.28 0.00 0.00 0.00 179.25 180.15 1woh h VAL 191 N 0.34 1.07 -0.07 0.00 2.07 -0.89 -1.22 116.25 117.56 1woh h VAL 191 Ca 0.10 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1woh h VAL 191 Cb 0.21 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1woh h VAL 191 CO -0.01 0.19 -0.03 0.00 0.02 0.00 0.00 177.57 177.75 1woh h ALA 192 N 1.50 0.09 -0.50 1.67 0.00 -1.14 -2.04 119.26 118.85 1woh h ALA 192 Ca 0.39 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1woh h ALA 192 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1woh h ALA 192 CO -0.15 -0.17 0.33 0.00 0.00 0.00 0.00 179.25 179.26 1woh h ALA 193 N 0.63 1.81 -0.02 0.00 0.00 -0.94 0.11 119.26 120.83 1woh h ALA 193 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1woh h ALA 193 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1woh h ALA 193 CO 0.01 0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.36 1woh h ALA 194 N 1.72 0.04 -0.67 0.00 0.00 -1.14 -2.67 119.26 116.54 1woh h ALA 194 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1woh h ALA 194 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1woh h ALA 194 CO -0.05 -0.17 0.30 0.00 0.00 0.00 0.00 179.25 179.32 1woh h ARG 195 N -0.44 0.97 -0.17 0.00 3.08 -0.89 -0.91 114.38 116.03 1woh h ARG 195 Ca 0.00 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1woh h ARG 195 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1woh h ARG 195 CO 0.01 0.77 0.05 0.00 -1.07 0.00 0.00 179.97 179.72 1woh h ALA 196 N 1.37 0.18 0.00 0.04 0.00 -0.80 -0.18 119.26 119.87 1woh h ALA 196 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1woh h ALA 196 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1woh h ALA 196 CO -0.03 -0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1woh n ARG 197 N -5.06 0.45 -0.93 0.00 1.74 -1.01 -4.85 116.66 107.00 1woh n ARG 197 Ca -0.03 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1woh n ARG 197 Cb 0.07 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1woh n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1woh n GLY 198 N 0.13 0.45 3.76 -0.13 0.00 -0.08 -4.93 105.19 104.40 1woh n GLY 198 Ca 0.12 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1woh n GLY 198 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1woh s HIS 199 N -2.00 2.52 -0.24 1.61 3.76 -0.38 -4.86 115.29 115.71 1woh s HIS 199 Ca 0.00 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.30 1woh s HIS 199 Cb 0.00 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 1woh s HIS 199 CO 0.00 -1.90 0.34 0.99 -0.85 0.00 0.00 174.74 173.32 1woh s THR 200 N -1.72 5.22 -0.27 1.30 2.01 -0.10 -4.58 115.64 117.50 1woh s THR 200 Ca 0.75 0.55 -0.07 0.00 0.31 0.00 0.00 61.69 63.22 1woh s THR 200 Cb -0.27 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1woh s THR 200 CO 0.31 0.23 0.07 -0.63 -0.69 0.00 0.00 174.62 173.90 1woh s ILE 201 N 1.61 4.05 -0.32 1.82 1.01 -1.26 -1.19 121.20 126.91 1woh s ILE 201 Ca 0.15 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1woh s ILE 201 Cb -0.15 -2.99 0.09 0.00 0.01 0.00 0.00 42.46 39.42 1woh s ILE 201 CO 0.08 0.21 0.02 -0.63 0.00 0.00 0.00 174.94 174.62 1woh s ILE 202 N 1.54 2.24 0.67 2.92 1.01 0.36 -4.99 121.20 124.96 1woh s ILE 202 Ca 0.04 -2.18 -0.16 0.00 0.00 0.00 0.00 60.65 58.35 1woh s ILE 202 Cb -0.16 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1woh s ILE 202 CO 0.02 -0.48 1.19 -2.84 0.00 0.00 0.00 174.94 172.84 1woh s PRO 203 N 0.95 2.52 0.48 2.79 0.02 -1.26 -1.46 135.00 139.05 1woh s PRO 203 Ca 0.07 1.71 0.17 0.00 0.02 0.00 0.00 61.00 62.96 1woh s PRO 203 Cb -0.19 -1.89 1.19 0.00 0.02 0.00 0.00 34.50 33.63 1woh s PRO 203 CO -0.08 -1.53 2.04 1.98 -0.33 0.00 0.00 177.00 179.09 1woh h MET 204 N 0.12 0.18 -0.49 5.54 1.85 -0.81 -0.08 114.93 121.24 1woh h MET 204 Ca -0.48 -0.01 0.10 0.00 -0.61 0.00 0.00 59.70 58.69 1woh h MET 204 Cb 1.29 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 33.25 1woh h MET 204 CO 0.52 0.12 0.34 -0.44 -0.40 0.00 0.00 176.91 177.05 1woh h ASP 205 N 0.19 0.23 0.47 1.39 3.32 -1.91 -0.72 116.42 119.40 1woh h ASP 205 Ca 0.18 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1woh h ASP 205 Cb 0.45 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1woh h ASP 205 CO -0.03 0.14 -0.67 0.44 -1.72 0.00 0.00 179.24 177.40 1woh h ASP 206 N 0.26 0.21 -0.30 6.45 5.19 -1.35 0.14 116.42 127.01 1woh h ASP 206 Ca 0.23 -0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 1woh h ASP 206 Cb 0.56 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1woh h ASP 206 CO -0.05 0.82 -0.22 0.58 -3.12 0.00 0.00 179.24 177.25 1woh h VAL 207 N 0.12 1.30 -0.14 -1.35 2.07 -1.17 0.19 116.25 117.27 1woh h VAL 207 Ca -0.01 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1woh h VAL 207 Cb 1.20 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1woh h VAL 207 CO 0.10 0.44 0.03 0.74 0.02 0.00 0.00 177.57 178.89 1woh h THR 208 N 0.43 1.22 -0.07 2.57 2.02 -1.24 -2.45 112.91 115.38 1woh h THR 208 Ca 0.06 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1woh h THR 208 Cb 0.77 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1woh h THR 208 CO 0.06 0.20 0.05 0.00 0.37 0.00 0.00 175.52 176.20 1woh h ALA 209 N 0.81 0.09 -0.99 6.16 0.00 -0.67 -3.42 119.26 121.25 1woh h ALA 209 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1woh h ALA 209 Cb 0.29 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.86 1woh h ALA 209 CO 0.00 -0.39 -0.43 0.34 0.00 0.00 0.00 179.25 178.77 1woh s ASP 210 N -5.30 -1.55 0.20 0.00 2.15 0.05 -5.03 116.67 107.18 1woh s ASP 210 Ca -0.13 -0.54 -0.11 0.00 0.43 0.00 0.00 52.55 52.20 1woh s ASP 210 Cb 0.07 1.97 0.15 0.00 -0.30 0.00 0.00 42.92 44.81 1woh s ASP 210 CO 0.67 -0.20 1.84 0.25 -0.17 0.00 0.00 175.17 177.56 1woh h LEU 211 N 7.23 0.65 -1.52 -1.34 7.12 -1.57 -2.14 115.31 123.72 1woh h LEU 211 Ca 0.03 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.14 1woh h LEU 211 Cb 1.18 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 1woh h LEU 211 CO 0.11 0.45 0.45 0.00 -0.13 0.00 0.00 178.44 179.32 1woh h ALA 212 N 1.27 1.92 -0.37 1.25 0.00 -1.93 0.34 119.26 121.75 1woh h ALA 212 Ca 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1woh h ALA 212 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1woh h ALA 212 CO -0.10 -0.07 -0.31 0.78 0.00 0.00 0.00 179.25 179.55 1woh h GLY 213 N 0.53 0.87 0.97 0.00 0.00 -1.76 -2.39 103.07 101.30 1woh h GLY 213 Ca 0.31 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1woh h GLY 213 CO -0.10 0.74 0.13 -2.08 0.00 0.00 0.00 176.54 175.23 1woh h VAL 214 N 0.68 1.24 -0.21 4.60 2.07 -0.75 -2.67 116.25 121.20 1woh h VAL 214 Ca 0.07 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1woh h VAL 214 Cb 0.86 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1woh h VAL 214 CO 0.08 0.30 -0.05 -0.07 0.02 0.00 0.00 177.57 177.84 1woh h LEU 215 N 0.67 0.30 -0.66 2.57 3.38 -1.08 -0.67 115.31 119.82 1woh h LEU 215 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1woh h LEU 215 Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1woh h LEU 215 CO -0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1woh n ALA 216 N -2.49 1.62 1.21 1.53 0.00 -0.91 -2.06 120.51 119.42 1woh n ALA 216 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1woh n ALA 216 Cb 0.23 -1.37 0.29 0.00 0.00 0.00 0.00 19.45 18.60 1woh n ALA 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1woh n GLN 217 N -2.16 1.29 -2.12 0.00 6.02 -0.26 -4.95 117.38 115.20 1woh n GLN 217 Ca 0.02 -0.90 -0.32 0.00 -0.01 0.00 0.00 57.00 55.79 1woh n GLN 217 Cb 0.21 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 1woh n GLN 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1woh s LEU 218 N -2.32 3.52 0.89 1.08 1.43 -0.87 -5.02 118.68 117.38 1woh s LEU 218 Ca 0.26 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1woh s LEU 218 Cb 0.19 -4.52 0.13 0.00 0.03 0.00 0.00 46.19 42.02 1woh s LEU 218 CO 0.46 -1.01 1.10 -2.16 0.23 0.00 0.00 176.35 174.97 1woh s PRO 219 N -4.11 1.28 -0.04 1.29 0.04 -1.26 -5.06 135.00 127.14 1woh s PRO 219 Ca 0.62 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1woh s PRO 219 Cb -0.14 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1woh s PRO 219 CO 0.36 -2.33 0.00 1.03 0.04 0.00 0.00 177.00 176.11 1woh s ARG 220 N -4.79 0.34 -1.36 4.56 0.52 -1.26 -4.85 118.95 112.12 1woh s ARG 220 Ca 0.64 0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 55.92 1woh s ARG 220 Cb -0.20 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.71 1woh s ARG 220 CO 0.58 -0.17 0.35 0.41 0.02 0.00 0.00 175.30 176.49 1woh n GLY 221 N 4.34 -0.33 3.62 -3.53 0.00 0.80 -5.01 105.19 105.09 1woh n GLY 221 Ca -0.22 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1woh n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1woh s GLN 222 N -5.30 2.08 -0.37 1.61 -1.52 -1.26 -4.88 119.66 110.02 1woh s GLN 222 Ca 0.17 -1.70 -0.26 0.00 -1.95 0.00 0.00 55.36 51.63 1woh s GLN 222 Cb -0.08 -1.96 0.01 0.00 -0.22 0.00 0.00 33.01 30.77 1woh s GLN 222 CO 0.21 0.18 0.92 -0.80 -0.25 0.00 0.00 175.29 175.56 1woh s ASN 223 N -3.70 6.67 -0.04 5.90 0.01 -1.26 -1.12 114.94 121.41 1woh s ASN 223 Ca 0.34 0.56 0.07 0.00 -0.71 0.00 0.00 52.86 53.12 1woh s ASN 223 Cb -0.02 -2.46 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1woh s ASN 223 CO 0.19 -0.85 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.00 1woh s VAL 224 N 3.46 2.18 -0.16 1.60 1.01 0.10 -0.46 120.40 128.13 1woh s VAL 224 Ca 0.38 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1woh s VAL 224 Cb -0.12 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1woh s VAL 224 CO 0.19 0.58 -0.08 -0.47 0.00 0.00 0.00 175.10 175.31 1woh s TYR 225 N -0.47 2.90 -0.17 5.22 5.04 -0.19 -0.65 117.35 129.04 1woh s TYR 225 Ca 0.06 -0.62 -0.16 0.00 -2.44 0.00 0.00 57.07 53.91 1woh s TYR 225 Cb -0.11 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 1woh s TYR 225 CO 0.01 -0.24 0.39 -0.06 -1.34 0.00 0.00 175.55 174.30 1woh s PHE 226 N 0.62 3.43 -0.23 4.97 2.99 -0.38 -1.60 117.98 127.78 1woh s PHE 226 Ca -0.05 0.68 0.02 0.00 0.00 0.00 0.00 56.93 57.58 1woh s PHE 226 Cb -0.15 -2.48 0.05 0.00 0.00 0.00 0.00 43.02 40.44 1woh s PHE 226 CO 0.03 0.11 -0.12 0.45 -0.00 0.00 0.00 175.22 175.69 1woh s SER 227 N 0.77 3.99 -0.35 1.36 0.15 -0.53 -0.68 113.70 118.41 1woh s SER 227 Ca 0.20 -1.17 -0.05 0.00 0.70 0.00 0.00 55.95 55.62 1woh s SER 227 Cb -0.14 -1.44 0.05 0.00 -1.71 0.00 0.00 66.02 62.78 1woh s SER 227 CO 0.07 -0.16 0.11 -0.69 1.20 0.00 0.00 173.24 173.77 1woh s VAL 228 N 1.22 3.63 -0.23 4.45 1.01 -0.26 -1.04 120.40 129.18 1woh s VAL 228 Ca -0.05 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.45 1woh s VAL 228 Cb -0.18 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1woh s VAL 228 CO -0.07 -0.25 0.55 -0.62 0.00 0.00 0.00 175.10 174.72 1woh s ASP 229 N 1.49 6.54 0.60 3.32 -1.08 -0.52 -1.28 116.67 125.74 1woh s ASP 229 Ca -0.01 0.65 0.31 0.00 -0.52 0.00 0.00 52.55 52.99 1woh s ASP 229 Cb -0.20 -2.30 1.88 0.00 -1.46 0.00 0.00 42.92 40.83 1woh s ASP 229 CO 0.01 -0.27 2.26 -0.37 0.52 0.00 0.00 175.17 177.33 1woh h VAL 230 N 5.28 0.47 0.00 1.11 -1.51 -1.61 -1.05 116.25 118.93 1woh h VAL 230 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1woh h VAL 230 Cb 1.14 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1woh h VAL 230 CO 0.74 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.18 1woh n ASP 231 N -3.76 0.00 0.18 4.19 5.68 -1.26 -1.44 116.55 120.14 1woh n ASP 231 Ca -0.03 -0.52 0.05 0.00 -0.50 0.00 0.00 54.79 53.79 1woh n ASP 231 Cb 0.10 -0.02 0.26 0.00 -1.14 0.00 0.00 41.12 40.32 1woh n ASP 231 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1woh h GLY 232 N 2.87 0.00 -1.51 6.12 0.00 -1.46 -3.38 103.07 105.71 1woh h GLY 232 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1woh h GLY 232 CO 0.00 0.00 0.34 -1.36 0.00 0.00 0.00 176.54 175.52 1woh s PHE 233 N -3.44 3.58 0.29 5.60 0.40 -0.52 -2.05 117.98 121.85 1woh s PHE 233 Ca 0.01 1.14 -0.29 0.00 -0.60 0.00 0.00 56.93 57.19 1woh s PHE 233 Cb 0.10 -2.64 -0.10 0.00 0.51 0.00 0.00 43.02 40.89 1woh s PHE 233 CO 0.70 -0.62 1.37 0.34 0.70 0.00 0.00 175.22 177.71 1woh s ASP 234 N -4.18 6.71 0.57 1.36 -1.08 0.49 -4.53 116.67 116.01 1woh s ASP 234 Ca 0.53 2.67 0.26 0.00 -0.52 0.00 0.00 52.55 55.50 1woh s ASP 234 Cb -0.11 -2.64 1.56 0.00 -1.46 0.00 0.00 42.92 40.27 1woh s ASP 234 CO 0.51 -0.62 2.10 -0.65 0.52 0.00 0.00 175.17 177.03 1woh h PRO 235 N 4.24 0.00 -0.12 4.34 0.11 -1.76 0.15 132.00 138.97 1woh h PRO 235 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1woh h PRO 235 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1woh h PRO 235 CO 0.72 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 178.12 1woh h ALA 236 N 1.82 1.14 0.00 -0.75 0.00 -1.94 -2.20 119.26 117.33 1woh h ALA 236 Ca 0.09 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1woh h ALA 236 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1woh h ALA 236 CO -0.00 0.57 -0.80 0.28 0.00 0.00 0.00 179.25 179.30 1woh h VAL 237 N 0.21 1.16 -3.11 0.00 2.07 -1.19 -3.42 116.25 111.96 1woh h VAL 237 Ca 0.02 -2.17 -0.62 0.00 0.82 0.00 0.00 66.70 64.75 1woh h VAL 237 Cb 0.78 2.49 -0.41 0.00 -1.52 0.00 0.00 31.29 32.63 1woh h VAL 237 CO 0.06 0.39 -0.64 -0.63 0.02 0.00 0.00 177.57 176.77 1woh s ILE 238 N -2.30 2.41 -0.57 4.57 -1.09 0.19 -4.61 121.20 119.80 1woh s ILE 238 Ca -0.25 -3.63 0.25 0.00 -2.23 0.00 0.00 60.65 54.80 1woh s ILE 238 Cb 0.03 -2.62 0.31 0.00 -1.58 0.00 0.00 42.46 38.59 1woh s ILE 238 CO 0.60 -0.94 1.72 1.55 -1.23 0.00 0.00 174.94 176.64 1woh h PRO 239 N 5.94 0.00 -5.00 2.79 0.13 -1.64 -3.39 132.00 130.83 1woh h PRO 239 Ca 0.06 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.56 1woh h PRO 239 Cb 0.83 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1woh h PRO 239 CO 0.65 0.00 2.34 0.41 -0.23 0.00 0.00 178.00 181.17 1woh n GLY 240 N 1.09 2.91 3.47 1.56 0.00 -1.26 -4.75 105.19 108.22 1woh n GLY 240 Ca 0.05 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 1woh n GLY 240 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1woh s THR 241 N 5.11 0.01 0.14 2.61 -1.32 -1.26 -0.35 115.64 120.58 1woh s THR 241 Ca 0.55 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.69 1woh s THR 241 Cb 0.08 -0.90 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 1woh s THR 241 CO 0.04 -0.05 1.61 -1.28 -2.21 0.00 0.00 174.62 172.73 1woh h SER 242 N 3.75 -1.02 -3.41 8.08 0.87 -1.78 -3.37 113.55 116.67 1woh h SER 242 Ca -0.28 0.15 -0.62 0.00 -1.23 0.00 0.00 61.79 59.82 1woh h SER 242 Cb 1.15 0.44 -0.41 0.00 -0.44 0.00 0.00 62.40 63.15 1woh h SER 242 CO 0.31 -0.35 -0.70 -0.44 -0.53 0.00 0.00 176.83 175.12 1woh s SER 243 N -4.95 3.82 0.59 6.23 0.01 -1.26 -4.44 113.70 113.70 1woh s SER 243 Ca -0.15 -3.11 -0.17 0.00 1.31 0.00 0.00 55.95 53.83 1woh s SER 243 Cb 0.11 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1woh s SER 243 CO 0.66 -0.20 1.10 -2.16 0.41 0.00 0.00 173.24 173.06 1woh s PRO 244 N -0.33 3.18 -0.06 12.44 0.04 -1.26 -4.98 135.00 144.04 1woh s PRO 244 Ca 0.22 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.72 1woh s PRO 244 Cb -0.15 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1woh s PRO 244 CO -0.07 -0.96 -0.07 -2.00 0.04 0.00 0.00 177.00 173.94 1woh s GLU 245 N -3.69 1.16 0.97 4.56 2.56 -1.26 -5.08 118.70 117.92 1woh s GLU 245 Ca 0.69 -0.22 -0.11 0.00 0.00 0.00 0.00 54.97 55.33 1woh s GLU 245 Cb -0.21 -1.07 0.17 0.00 2.00 0.00 0.00 34.13 35.02 1woh s GLU 245 CO 0.33 -0.06 1.11 -1.25 -0.56 0.00 0.00 175.26 174.83 1woh s PRO 246 N 0.88 0.64 -0.78 4.30 0.04 -1.26 -4.29 135.00 134.53 1woh s PRO 246 Ca -0.11 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 1woh s PRO 246 Cb -0.15 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1woh s PRO 246 CO 0.01 -2.80 0.65 -0.25 0.04 0.00 0.00 177.00 174.65 1woh n ASP 247 N -4.32 -6.42 -0.36 6.66 8.00 -1.26 -4.93 116.55 113.92 1woh n ASP 247 Ca 0.09 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1woh n ASP 247 Cb 0.53 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 1woh n ASP 247 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1woh n GLY 248 N -1.71 5.10 3.77 0.44 0.00 -1.26 -4.96 105.19 106.57 1woh n GLY 248 Ca -0.15 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1woh n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1woh s LEU 249 N 0.00 4.32 0.70 0.99 1.43 -0.87 -4.29 118.68 120.96 1woh s LEU 249 Ca 0.00 2.22 -0.09 0.00 -1.03 0.00 0.00 54.13 55.23 1woh s LEU 249 Cb 0.00 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.34 1woh s LEU 249 CO 0.00 -0.40 1.05 0.42 0.23 0.00 0.00 176.35 177.65 1woh s THR 250 N -1.39 2.98 0.21 5.49 -4.23 -1.26 -0.38 115.64 117.06 1woh s THR 250 Ca 0.52 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.04 1woh s THR 250 Cb -0.28 -3.28 0.16 0.00 1.34 0.00 0.00 72.50 70.44 1woh s THR 250 CO 0.36 -0.33 1.84 0.22 -0.54 0.00 0.00 174.62 176.17 1woh h TYR 251 N -0.60 0.83 -0.74 3.99 3.20 -1.97 -2.03 116.97 119.65 1woh h TYR 251 Ca -0.45 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1woh h TYR 251 Cb 1.28 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 1woh h TYR 251 CO 0.42 0.45 0.48 0.00 -1.64 0.00 0.00 178.16 177.88 1woh h ALA 252 N 1.33 0.94 -0.04 1.82 0.00 -1.98 -0.63 119.26 120.69 1woh h ALA 252 Ca 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1woh h ALA 252 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1woh h ALA 252 CO -0.13 0.36 0.01 1.96 0.00 0.00 0.00 179.25 181.45 1woh h GLN 253 N 1.00 0.06 -0.60 0.00 4.20 -1.81 0.24 115.11 118.19 1woh h GLN 253 Ca 0.27 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.00 1woh h GLN 253 Cb -0.11 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1woh h GLN 253 CO -0.06 0.26 0.36 0.78 -0.67 0.00 0.00 178.83 179.51 1woh h GLY 254 N -0.16 0.86 1.51 3.46 0.00 -1.23 -2.24 103.07 105.28 1woh h GLY 254 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1woh h GLY 254 CO 0.00 0.22 -0.04 1.98 0.00 0.00 0.00 176.54 178.70 1woh h MET 255 N 0.71 0.60 -0.72 4.80 1.85 -0.97 -1.91 114.93 119.29 1woh h MET 255 Ca 0.25 -0.15 -0.06 0.00 -0.61 0.00 0.00 59.70 59.12 1woh h MET 255 Cb 0.05 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 31.97 1woh h MET 255 CO -0.11 0.65 0.22 0.87 -0.40 0.00 0.00 176.91 178.14 1woh h LYS 256 N 0.57 1.12 0.07 0.39 1.57 -0.39 0.79 116.57 120.68 1woh h LYS 256 Ca 0.11 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1woh h LYS 256 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1woh h LYS 256 CO 0.02 0.96 -0.03 0.82 -0.57 0.00 0.00 179.45 180.64 1woh h ILE 257 N 1.07 1.11 -0.63 1.86 2.04 -1.10 -1.21 117.51 120.65 1woh h ILE 257 Ca 0.23 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1woh h ILE 257 Cb 0.31 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1woh h ILE 257 CO -0.01 0.15 0.41 -0.07 0.00 0.00 0.00 178.15 178.63 1woh h LEU 258 N -0.37 0.68 -0.50 1.44 3.38 -1.22 -2.35 115.31 116.38 1woh h LEU 258 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1woh h LEU 258 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1woh h LEU 258 CO 0.02 0.49 0.30 0.00 0.09 0.00 0.00 178.44 179.33 1woh h ALA 259 N 1.25 0.64 -0.64 1.53 0.00 -0.77 -1.44 119.26 119.83 1woh h ALA 259 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1woh h ALA 259 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1woh h ALA 259 CO -0.08 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.71 1woh h ALA 260 N 1.15 0.82 -0.12 0.00 0.00 -0.91 -2.15 119.26 118.05 1woh h ALA 260 Ca 0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1woh h ALA 260 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1woh h ALA 260 CO -0.03 0.20 -0.48 0.00 0.00 0.00 0.00 179.25 178.94 1woh h ALA 261 N 1.25 0.97 0.00 0.00 0.00 -1.23 -3.05 119.26 117.20 1woh h ALA 261 Ca 0.24 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1woh h ALA 261 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1woh h ALA 261 CO -0.07 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.75 1woh h ALA 262 N 1.26 0.98 0.00 0.00 0.00 -0.89 -3.06 119.26 117.55 1woh h ALA 262 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1woh h ALA 262 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1woh h ALA 262 CO 0.08 0.10 -0.40 0.00 0.00 0.00 0.00 179.25 179.03 1woh h ALA 263 N 1.92 0.87 -0.13 0.00 0.00 -1.28 -3.36 119.26 117.28 1woh h ALA 263 Ca -0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1woh h ALA 263 Cb 0.81 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.18 1woh h ALA 263 CO 0.01 0.50 -1.00 0.27 0.00 0.00 0.00 179.25 179.03 1woh n ASN 264 N -3.38 1.35 -3.98 0.00 0.23 -1.23 -4.88 115.26 103.36 1woh n ASN 264 Ca 0.01 -2.25 -0.09 0.00 -0.53 0.00 0.00 54.58 51.72 1woh n ASN 264 Cb 0.58 -0.37 -0.08 0.00 -2.08 0.00 0.00 39.78 37.83 1woh n ASN 264 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1woh s ASN 265 N -2.62 0.23 -0.47 0.53 0.01 -1.16 -0.14 114.94 111.33 1woh s ASN 265 Ca 0.33 -0.86 -0.19 0.00 -0.71 0.00 0.00 52.86 51.42 1woh s ASN 265 Cb 0.37 0.31 0.04 0.00 0.41 0.00 0.00 41.25 42.38 1woh s ASN 265 CO -0.12 -0.72 0.61 -0.89 -1.51 0.00 0.00 177.10 174.46 1woh s THR 266 N -3.92 4.88 -0.29 1.60 2.01 -0.27 -4.84 115.64 114.80 1woh s THR 266 Ca 0.10 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.60 1woh s THR 266 Cb 0.06 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1woh s THR 266 CO -0.07 -0.68 0.91 -0.69 -0.69 0.00 0.00 174.62 173.40 1woh s VAL 267 N 2.65 4.70 -1.24 3.82 1.01 -1.26 -0.72 120.40 129.35 1woh s VAL 267 Ca 0.17 1.51 0.23 0.00 0.00 0.00 0.00 61.98 63.90 1woh s VAL 267 Cb -0.17 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 1woh s VAL 267 CO 0.15 -0.29 1.16 1.33 0.00 0.00 0.00 175.10 177.45 1woh n VAL 268 N 5.57 0.00 0.00 2.92 0.24 0.18 -4.83 118.33 122.42 1woh n VAL 268 Ca 0.08 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1woh n VAL 268 Cb 0.47 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 1woh n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1woh n GLY 269 N 1.47 -0.14 3.63 7.63 0.00 -1.25 -4.23 105.19 112.30 1woh n GLY 269 Ca 0.06 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1woh n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1woh s LEU 270 N 0.00 -0.65 0.12 0.99 0.20 -0.88 -1.25 118.68 117.22 1woh s LEU 270 Ca 0.00 1.24 0.10 0.00 0.69 0.00 0.00 54.13 56.16 1woh s LEU 270 Cb 0.00 2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 48.00 1woh s LEU 270 CO 0.00 -0.22 -0.24 1.51 -0.29 0.00 0.00 176.35 177.11 1woh s ASP 271 N 0.30 3.01 -0.25 3.68 1.47 0.14 -0.52 116.67 124.50 1woh s ASP 271 Ca 0.01 -0.74 0.01 0.00 1.18 0.00 0.00 52.55 53.01 1woh s ASP 271 Cb -0.05 -0.19 0.07 0.00 -0.34 0.00 0.00 42.92 42.41 1woh s ASP 271 CO -0.01 0.12 -0.03 -0.22 0.68 0.00 0.00 175.17 175.71 1woh s LEU 272 N -2.05 2.60 0.34 2.11 1.98 -0.33 -1.10 118.68 122.22 1woh s LEU 272 Ca 0.12 -1.26 0.07 0.00 -2.89 0.00 0.00 54.13 50.17 1woh s LEU 272 Cb -0.10 -1.14 -0.07 0.00 0.66 0.00 0.00 46.19 45.54 1woh s LEU 272 CO 0.06 -0.26 -0.03 0.68 -1.89 0.00 0.00 176.35 174.90 1woh s VAL 273 N 1.41 1.83 -0.46 1.68 -7.23 -0.41 -0.98 120.40 116.25 1woh s VAL 273 Ca -0.03 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1woh s VAL 273 Cb -0.19 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1woh s VAL 273 CO -0.08 -0.15 0.00 -0.62 -0.31 0.00 0.00 175.10 173.94 1woh n GLU 274 N -0.76 -0.81 -2.41 4.82 -0.58 -0.13 -1.63 120.64 119.14 1woh n GLU 274 Ca -0.05 0.50 -0.41 0.00 -0.42 0.00 0.00 57.16 56.78 1woh n GLU 274 Cb 0.65 -4.29 -0.04 0.00 -0.57 0.00 0.00 31.44 27.20 1woh n GLU 274 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1woh s LEU 275 N -0.98 4.46 -0.46 -4.62 0.20 -1.26 -4.18 118.68 111.84 1woh s LEU 275 Ca 0.00 2.20 0.03 0.00 0.69 0.00 0.00 54.13 57.05 1woh s LEU 275 Cb 0.00 -3.61 0.14 0.00 -0.43 0.00 0.00 46.19 42.30 1woh s LEU 275 CO 0.00 -0.34 0.27 0.00 -0.29 0.00 0.00 176.35 176.00 1woh s ALA 276 N -0.10 2.20 0.40 5.97 0.00 0.53 -3.62 121.76 127.14 1woh s ALA 276 Ca 0.52 -2.68 0.14 0.00 0.00 0.00 0.00 51.96 49.94 1woh s ALA 276 Cb -0.32 -1.87 0.98 0.00 0.00 0.00 0.00 23.12 21.91 1woh s ALA 276 CO 0.36 -2.06 1.90 -1.35 0.00 0.00 0.00 175.76 174.61 1woh h PRO 277 N 6.48 0.49 0.00 0.00 0.11 -1.80 -0.87 132.00 136.41 1woh h PRO 277 Ca 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1woh h PRO 277 Cb 0.91 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1woh h PRO 277 CO 0.49 0.32 0.00 -2.95 -0.21 0.00 0.00 178.00 175.65 1woh h ASN 278 N 0.50 0.00 -0.10 -2.05 -1.07 -1.93 -1.99 115.58 108.94 1woh h ASN 278 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.77 1woh h ASN 278 Cb 0.83 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 1woh h ASN 278 CO -0.15 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.53 1woh n LEU 279 N -2.44 2.76 -3.52 6.14 4.77 -0.33 -4.65 117.00 119.73 1woh n LEU 279 Ca 0.00 -0.99 -0.28 0.00 -0.03 0.00 0.00 56.01 54.71 1woh n LEU 279 Cb 0.15 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 1woh n LEU 279 CO 0.17 0.49 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.82 1woh s ASP 280 N -1.89 2.78 0.00 -1.43 3.68 -0.75 -4.41 116.67 114.65 1woh s ASP 280 Ca 0.32 -2.63 0.09 0.00 2.13 0.00 0.00 52.55 52.46 1woh s ASP 280 Cb 0.21 -0.62 0.43 0.00 -1.45 0.00 0.00 42.92 41.49 1woh s ASP 280 CO 0.31 -0.25 1.20 -0.81 0.13 0.00 0.00 175.17 175.75 1woh n PRO 281 N 3.47 0.09 0.11 4.34 -0.04 -1.26 -1.67 135.00 140.04 1woh n PRO 281 Ca 0.17 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1woh n PRO 281 Cb 0.39 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.57 1woh n PRO 281 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1woh h THR 282 N 0.00 0.00 0.00 0.52 1.35 -1.93 -3.47 112.91 109.37 1woh h THR 282 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1woh h THR 282 Cb 0.11 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1woh h THR 282 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1woh n GLY 283 N 1.27 1.02 0.20 5.82 0.00 -0.67 -4.88 105.19 107.94 1woh n GLY 283 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1woh n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woh h ARG 284 N 2.24 0.00 0.15 1.61 0.11 -1.92 -2.86 114.38 113.71 1woh h ARG 284 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woh h ARG 284 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1woh h ARG 284 CO 0.00 0.33 -0.14 0.77 0.10 0.00 0.00 179.97 181.03 1woh h SER 285 N 0.00 -0.35 0.38 0.08 0.02 -1.88 0.01 113.55 111.80 1woh h SER 285 Ca -0.00 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1woh h SER 285 Cb 0.66 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1woh h SER 285 CO 0.04 -0.21 -0.57 1.05 -1.14 0.00 0.00 176.83 176.00 1woh h GLU 286 N -0.31 0.20 -0.34 3.45 9.09 -1.92 -1.90 114.58 122.85 1woh h GLU 286 Ca -0.00 -0.13 -0.04 0.00 0.05 0.00 0.00 59.36 59.24 1woh h GLU 286 Cb 0.29 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 1woh h GLU 286 CO -0.03 0.72 0.06 -0.07 0.05 0.00 0.00 179.01 179.74 1woh h LEU 287 N 0.15 0.54 -0.44 3.06 3.38 -1.26 -1.38 115.31 119.37 1woh h LEU 287 Ca -0.00 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 1woh h LEU 287 Cb 1.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1woh h LEU 287 CO 0.09 0.66 -0.43 -0.07 0.09 0.00 0.00 178.44 178.78 1woh h LEU 288 N 0.40 0.90 -0.70 1.67 4.07 -0.96 -2.57 115.31 118.12 1woh h LEU 288 Ca 0.10 -0.43 -0.14 0.00 0.08 0.00 0.00 57.88 57.50 1woh h LEU 288 Cb 0.35 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1woh h LEU 288 CO 0.01 1.20 -0.61 0.24 -1.08 0.00 0.00 178.44 178.19 1woh h MET 289 N 0.67 0.14 -0.48 1.13 2.86 -1.29 -0.29 114.93 117.67 1woh h MET 289 Ca 0.05 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1woh h MET 289 Cb 1.01 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 1woh h MET 289 CO 0.10 0.71 -0.00 0.00 1.06 0.00 0.00 176.91 178.77 1woh h ALA 290 N 1.27 0.64 -0.66 6.32 0.00 -1.25 -2.10 119.26 123.49 1woh h ALA 290 Ca -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1woh h ALA 290 Cb 1.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1woh h ALA 290 CO 0.09 0.44 0.27 -0.09 0.00 0.00 0.00 179.25 179.96 1woh h ARG 291 N 0.70 0.97 -0.74 0.00 2.43 -1.17 -2.23 114.38 114.34 1woh h ARG 291 Ca 0.13 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1woh h ARG 291 Cb 0.51 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1woh h ARG 291 CO 0.02 0.78 0.48 1.25 -1.51 0.00 0.00 179.97 181.00 1woh h LEU 292 N 0.95 0.81 -0.20 3.80 5.85 -0.57 0.12 115.31 126.07 1woh h LEU 292 Ca 0.22 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1woh h LEU 292 Cb 0.17 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1woh h LEU 292 CO -0.02 0.57 0.08 0.58 -0.34 0.00 0.00 178.44 179.30 1woh h VAL 293 N 0.95 1.17 -0.69 1.05 2.07 -0.96 -0.62 116.25 119.21 1woh h VAL 293 Ca 0.28 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1woh h VAL 293 Cb -0.05 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1woh h VAL 293 CO -0.09 0.16 0.26 0.24 0.02 0.00 0.00 177.57 178.16 1woh h MET 294 N 0.16 1.05 -0.34 1.57 2.86 -1.02 -1.50 114.93 117.70 1woh h MET 294 Ca 0.07 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1woh h MET 294 Cb 0.18 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1woh h MET 294 CO -0.00 0.88 -0.25 1.49 1.06 0.00 0.00 176.91 180.08 1woh h GLU 295 N 0.99 0.69 -0.71 1.72 4.81 -0.67 -1.18 114.58 120.24 1woh h GLU 295 Ca 0.23 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1woh h GLU 295 Cb 0.24 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1woh h GLU 295 CO -0.02 0.88 0.33 1.15 -0.73 0.00 0.00 179.01 180.62 1woh h THR 296 N 0.60 1.24 -0.55 0.32 2.02 -0.81 -1.83 112.91 113.90 1woh h THR 296 Ca 0.08 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1woh h THR 296 Cb 0.75 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1woh h THR 296 CO 0.06 0.28 0.07 -0.07 0.37 0.00 0.00 175.52 176.23 1woh h LEU 297 N 0.99 0.84 -0.54 2.58 3.38 -0.85 -0.46 115.31 121.26 1woh h LEU 297 Ca 0.24 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1woh h LEU 297 Cb 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1woh h LEU 297 CO -0.03 0.86 0.27 0.00 0.09 0.00 0.00 178.44 179.64 1woh h GLU 299 N 0.53 0.34 0.05 0.00 4.39 -0.76 -2.63 114.58 116.50 1woh h GLU 299 Ca 0.24 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.90 1woh h GLU 299 Cb 0.15 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1woh h GLU 299 CO -0.17 0.40 -0.16 0.28 -1.16 0.00 0.00 179.01 178.19 1woh h VAL 300 N 0.21 0.62 0.00 3.13 2.07 -0.63 -2.31 116.25 119.33 1woh h VAL 300 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1woh h VAL 300 Cb 0.19 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1woh h VAL 300 CO -0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.07 1woh n PHE 301 N -5.29 0.00 1.03 1.57 3.01 -0.43 -2.21 117.46 115.13 1woh n PHE 301 Ca -0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.52 1woh n PHE 301 Cb 0.21 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.84 1woh n PHE 301 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1woh n ASP 302 N -0.97 0.78 -2.59 4.37 10.43 -0.87 -4.32 116.55 123.37 1woh n ASP 302 Ca 0.18 -0.59 -0.08 0.00 2.57 0.00 0.00 54.79 56.87 1woh n ASP 302 Cb 0.08 0.44 0.04 0.00 1.84 0.00 0.00 41.12 43.52 1woh n ASP 302 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1woh n HIS 303 N -1.31 1.72 -2.99 1.24 8.25 -0.94 -5.09 115.22 116.10 1woh n HIS 303 Ca 0.06 -2.18 -0.40 0.00 -0.26 0.00 0.00 57.72 54.95 1woh n HIS 303 Cb 0.34 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1woh n HIS 303 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1woh s VAL 304 N -4.05 4.69 -2.00 1.59 1.01 -1.23 -4.88 120.40 115.53 1woh s VAL 304 Ca 0.34 1.62 0.28 0.00 0.00 0.00 0.00 61.98 64.22 1woh s VAL 304 Cb 0.35 -4.11 0.79 0.00 0.00 0.00 0.00 36.38 33.41 1woh s VAL 304 CO -0.02 0.39 2.00 0.18 0.00 0.00 0.00 175.10 177.66