#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8m h VAL 15 N 0.00 1.30 0.00 2.52 2.07 -1.98 -0.87 116.25 119.29 3f8m h VAL 15 Ca 0.00 -2.47 -0.06 0.00 0.82 0.00 0.00 66.70 64.99 3f8m h VAL 15 Cb 0.00 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3f8m h VAL 15 CO 0.00 0.70 -0.28 0.03 0.02 0.00 0.00 177.57 178.03 3f8m h ARG 16 N -0.38 0.00 0.08 1.57 3.08 -1.98 -1.97 114.38 114.79 3f8m h ARG 16 Ca -0.21 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.59 3f8m h ARG 16 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3f8m h ARG 16 CO 0.10 0.28 -1.12 0.00 -1.07 0.00 0.00 179.97 178.17 3f8m h ALA 17 N 1.72 0.22 -0.30 0.04 0.00 -2.00 -2.27 119.26 116.66 3f8m h ALA 17 Ca -0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 3f8m h ALA 17 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3f8m h ALA 17 CO 0.04 0.93 -0.32 1.49 0.00 0.00 0.00 179.25 181.39 3f8m h GLU 18 N 0.12 0.75 -0.68 0.00 4.57 -1.00 -1.63 114.58 116.71 3f8m h GLU 18 Ca -0.11 -0.40 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 3f8m h GLU 18 Cb 1.81 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.39 3f8m h GLU 18 CO 0.18 1.02 0.19 -0.07 -1.18 0.00 0.00 179.01 179.16 3f8m h LEU 19 N 0.50 1.00 -0.77 1.64 3.38 -1.42 -1.28 115.31 118.37 3f8m h LEU 19 Ca 0.05 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3f8m h LEU 19 Cb 0.89 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3f8m h LEU 19 CO 0.08 0.96 0.47 0.44 0.09 0.00 0.00 178.44 180.48 3f8m h ASP 20 N 1.00 0.75 -0.51 -0.43 3.32 -1.32 -0.88 116.42 118.35 3f8m h ASP 20 Ca 0.22 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3f8m h ASP 20 Cb 0.33 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3f8m h ASP 20 CO -0.00 0.50 0.09 -0.09 -1.72 0.00 0.00 179.24 178.01 3f8m h ARG 21 N 0.89 0.85 -0.04 3.56 2.43 -0.89 -1.90 114.38 119.27 3f8m h ARG 21 Ca 0.33 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3f8m h ARG 21 Cb 0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3f8m h ARG 21 CO -0.15 0.83 -0.05 0.52 -1.51 0.00 0.00 179.97 179.62 3f8m h MET 22 N 0.73 -0.06 -0.59 0.20 2.86 -0.82 -2.92 114.93 114.33 3f8m h MET 22 Ca 0.16 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3f8m h MET 22 Cb 0.39 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3f8m h MET 22 CO 0.01 -0.04 0.39 -0.07 1.06 0.00 0.00 176.91 178.26 3f8m h LEU 23 N -0.07 0.65 -0.76 1.22 3.38 -0.95 -0.51 115.31 118.27 3f8m h LEU 23 Ca 0.04 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3f8m h LEU 23 Cb 0.12 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3f8m h LEU 23 CO -0.08 0.46 0.31 -0.78 0.09 0.00 0.00 178.44 178.44 3f8m h ASP 24 N 0.76 0.30 0.29 -0.43 3.58 -1.15 -2.54 116.42 117.24 3f8m h ASP 24 Ca 0.22 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3f8m h ASP 24 Cb -0.03 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3f8m h ASP 24 CO -0.05 0.12 -0.37 0.61 -2.88 0.00 0.00 179.24 176.67 3f8m n GLY 25 N -1.32 -0.78 3.94 -0.78 0.00 -0.26 -4.96 105.19 101.02 3f8m n GLY 25 Ca 0.14 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3f8m n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3f8m s MET 26 N -2.66 3.50 0.28 1.61 -1.94 -0.85 -5.11 119.30 114.13 3f8m s MET 26 Ca 0.20 -0.35 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 3f8m s MET 26 Cb 0.19 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 3f8m s MET 26 CO 0.59 0.25 0.47 1.03 -0.01 0.00 0.00 175.02 177.34 3f8m s ARG 27 N -3.96 3.50 0.10 2.03 0.52 -1.26 -4.97 118.95 114.91 3f8m s ARG 27 Ca 0.39 -0.39 -0.35 0.00 -0.52 0.00 0.00 55.73 54.86 3f8m s ARG 27 Cb -0.10 -2.76 -0.15 0.00 0.52 0.00 0.00 34.95 32.46 3f8m s ARG 27 CO 0.33 0.28 1.48 -0.89 0.02 0.00 0.00 175.30 176.52 3f8m n ILE 28 N -1.30 0.03 0.00 1.52 5.41 -1.26 -1.38 119.36 122.38 3f8m n ILE 28 Ca -0.05 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3f8m n ILE 28 Cb 0.55 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 3f8m n ILE 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3f8m n GLY 29 N 3.05 0.78 3.74 7.39 0.00 0.32 -4.95 105.19 115.53 3f8m n GLY 29 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3f8m n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f8m s ASP 30 N -2.28 6.95 -0.02 1.61 1.01 -0.48 -4.61 116.67 118.84 3f8m s ASP 30 Ca 0.00 2.39 -0.21 0.00 0.71 0.00 0.00 52.55 55.44 3f8m s ASP 30 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3f8m s ASP 30 CO 0.00 -0.47 0.62 -2.16 0.21 0.00 0.00 175.17 173.37 3f8m s PRO 31 N -0.41 4.36 0.69 8.23 0.04 -1.26 -1.52 135.00 145.13 3f8m s PRO 31 Ca 0.54 0.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 3f8m s PRO 31 Cb -0.36 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 30.83 3f8m s PRO 31 CO 0.40 0.28 1.11 -0.06 0.04 0.00 0.00 177.00 178.77 3f8m s PHE 32 N 0.10 2.56 1.00 0.56 0.08 -0.09 -5.00 117.98 117.20 3f8m s PHE 32 Ca 0.33 1.56 -0.12 0.00 0.12 0.00 0.00 56.93 58.81 3f8m s PHE 32 Cb -0.18 -3.16 0.15 0.00 -0.57 0.00 0.00 43.02 39.26 3f8m s PHE 32 CO 0.17 -1.78 0.84 -2.30 -0.10 0.00 0.00 175.22 172.05 3f8m n PRO 33 N -2.70 -0.99 -1.67 0.24 -0.02 -1.26 -4.74 135.00 123.86 3f8m n PRO 33 Ca 0.10 -0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 60.98 3f8m n PRO 33 Cb 0.52 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 3f8m n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f8m s ALA 34 N -2.49 2.31 0.25 3.55 0.00 -1.26 -4.75 121.76 119.36 3f8m s ALA 34 Ca 0.64 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.66 3f8m s ALA 34 Cb -0.22 -3.53 0.46 0.00 0.00 0.00 0.00 23.12 19.83 3f8m s ALA 34 CO 0.63 -1.66 1.64 1.49 0.00 0.00 0.00 175.76 177.86 3f8m h GLU 35 N 0.33 0.13 -0.71 0.00 4.81 -1.97 -0.11 114.58 117.06 3f8m h GLU 35 Ca -0.50 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3f8m h GLU 35 Cb 1.32 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 3f8m h GLU 35 CO 0.52 0.09 0.34 -0.09 -0.73 0.00 0.00 179.01 179.13 3f8m h ARG 36 N 0.13 1.01 -0.26 1.92 2.43 -1.94 -0.86 114.38 116.81 3f8m h ARG 36 Ca 0.42 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 3f8m h ARG 36 Cb 0.75 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3f8m h ARG 36 CO -0.64 0.78 -0.18 1.49 -1.51 0.00 0.00 179.97 179.92 3f8m h GLU 37 N 1.00 0.59 -0.55 0.20 4.81 -1.38 -1.49 114.58 117.76 3f8m h GLU 37 Ca 0.25 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3f8m h GLU 37 Cb 0.11 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3f8m h GLU 37 CO -0.03 0.86 0.36 0.82 -0.73 0.00 0.00 179.01 180.29 3f8m h ILE 38 N 0.31 1.14 -0.54 2.32 2.04 -1.22 0.63 117.51 122.19 3f8m h ILE 38 Ca 0.05 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3f8m h ILE 38 Cb 0.71 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3f8m h ILE 38 CO 0.05 0.14 0.36 0.00 0.00 0.00 0.00 178.15 178.69 3f8m h ALA 39 N 1.20 0.68 -0.04 1.87 0.00 -0.95 -2.31 119.26 119.72 3f8m h ALA 39 Ca 0.20 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3f8m h ALA 39 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3f8m h ALA 39 CO -0.04 0.12 -0.65 0.93 0.00 0.00 0.00 179.25 179.61 3f8m h GLU 40 N 0.73 0.17 -0.73 0.00 5.08 -0.93 -0.75 114.58 118.13 3f8m h GLU 40 Ca 0.20 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3f8m h GLU 40 Cb -0.08 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3f8m h GLU 40 CO -0.05 0.75 0.42 0.37 -1.00 0.00 0.00 179.01 179.51 3f8m h GLN 41 N 0.12 1.00 -0.58 2.33 4.15 -0.43 -3.13 115.11 118.57 3f8m h GLN 41 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3f8m h GLN 41 Cb 1.16 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3f8m h GLN 41 CO 0.10 0.73 0.00 1.19 -1.93 0.00 0.00 178.83 178.91 3f8m n PHE 42 N -4.50 0.85 -3.69 3.99 3.72 -0.91 -4.99 117.46 111.94 3f8m n PHE 42 Ca 0.06 -0.52 -0.23 0.00 -0.05 0.00 0.00 57.45 56.71 3f8m n PHE 42 Cb 0.07 -0.04 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3f8m n PHE 42 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3f8m n GLU 43 N 1.14 -3.86 -4.37 -1.08 1.02 -0.42 -5.02 120.64 108.06 3f8m n GLU 43 Ca 0.20 0.59 -0.18 0.00 -0.02 0.00 0.00 57.16 57.74 3f8m n GLU 43 Cb 0.59 -4.97 -0.10 0.00 -0.02 0.00 0.00 31.44 26.93 3f8m n GLU 43 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3f8m s VAL 44 N -3.64 0.89 0.47 2.62 -7.23 -0.43 -5.05 120.40 108.03 3f8m s VAL 44 Ca 0.12 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 3f8m s VAL 44 Cb -0.04 -2.62 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 3f8m s VAL 44 CO 0.82 -0.08 1.08 0.00 -0.31 0.00 0.00 175.10 176.61 3f8m s ALA 45 N -3.51 2.92 0.30 1.32 0.00 -1.26 -4.43 121.76 117.10 3f8m s ALA 45 Ca 0.35 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.11 3f8m s ALA 45 Cb 0.08 -3.30 0.79 0.00 0.00 0.00 0.00 23.12 20.68 3f8m s ALA 45 CO 0.13 -0.43 1.72 0.00 0.00 0.00 0.00 175.76 177.18 3f8m h ARG 46 N 1.86 0.52 0.00 0.00 3.08 -1.92 -0.77 114.38 117.15 3f8m h ARG 46 Ca -0.49 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 3f8m h ARG 46 Cb 1.23 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3f8m h ARG 46 CO 0.60 0.34 -0.12 0.93 -1.07 0.00 0.00 179.97 180.65 3f8m h GLU 47 N 0.53 0.00 -0.07 0.04 3.07 -1.97 0.65 114.58 116.83 3f8m h GLU 47 Ca 0.59 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.39 3f8m h GLU 47 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3f8m h GLU 47 CO -0.48 0.12 -0.20 1.15 -1.40 0.00 0.00 179.01 178.20 3f8m h THR 48 N 0.00 1.43 -0.71 1.13 2.02 -1.51 -1.46 112.91 113.80 3f8m h THR 48 Ca -0.00 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 3f8m h THR 48 Cb 0.24 2.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 3f8m h THR 48 CO 0.02 0.44 0.41 0.58 0.37 0.00 0.00 175.52 177.34 3f8m h VAL 49 N -0.25 1.21 -0.53 3.16 2.07 -1.20 -2.29 116.25 118.42 3f8m h VAL 49 Ca -0.01 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3f8m h VAL 49 Cb 0.82 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3f8m h VAL 49 CO 0.04 0.22 0.33 -0.09 0.02 0.00 0.00 177.57 178.10 3f8m h ARG 50 N 0.98 0.65 -0.54 1.57 2.43 -0.81 -0.98 114.38 117.68 3f8m h ARG 50 Ca 0.25 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3f8m h ARG 50 Cb -0.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3f8m h ARG 50 CO -0.04 0.43 0.12 0.37 -1.51 0.00 0.00 179.97 179.33 3f8m h GLN 51 N 0.67 0.87 -0.29 0.20 4.15 -1.05 -1.54 115.11 118.11 3f8m h GLN 51 Ca 0.20 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3f8m h GLN 51 Cb -0.02 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3f8m h GLN 51 CO -0.07 0.83 0.09 0.00 -1.93 0.00 0.00 178.83 177.74 3f8m h ALA 52 N 1.00 0.38 -0.62 3.38 0.00 -1.06 -0.92 119.26 121.42 3f8m h ALA 52 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3f8m h ALA 52 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3f8m h ALA 52 CO 0.00 0.02 0.34 -0.07 0.00 0.00 0.00 179.25 179.54 3f8m h LEU 53 N 0.30 0.76 -1.42 0.00 3.38 -1.18 -0.57 115.31 116.59 3f8m h LEU 53 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f8m h LEU 53 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3f8m h LEU 53 CO -0.00 0.63 0.34 -0.09 0.09 0.00 0.00 178.44 179.41 3f8m h ARG 54 N 0.84 0.73 0.00 1.13 2.43 -0.97 0.82 114.38 119.36 3f8m h ARG 54 Ca 0.22 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.16 3f8m h ARG 54 Cb 0.03 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3f8m h ARG 54 CO -0.04 0.50 -0.86 0.93 -1.51 0.00 0.00 179.97 178.99 3f8m h GLU 55 N 0.75 0.00 -0.33 0.20 5.08 -0.95 -1.76 114.58 117.58 3f8m h GLU 55 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3f8m h GLU 55 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3f8m h GLU 55 CO -0.04 0.78 0.12 -0.07 -1.00 0.00 0.00 179.01 178.80 3f8m h LEU 56 N 0.00 0.41 -0.20 1.33 -0.00 -0.29 -0.43 115.31 116.14 3f8m h LEU 56 Ca -0.02 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.88 57.62 3f8m h LEU 56 Cb 1.64 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 42.20 3f8m h LEU 56 CO 0.10 0.39 -0.63 0.25 -0.00 0.00 0.00 178.44 178.55 3f8m h LEU 57 N 0.46 0.91 -0.72 1.67 6.46 -0.63 -1.39 115.31 122.06 3f8m h LEU 57 Ca 0.11 -0.59 -0.02 0.00 -0.12 0.00 0.00 57.88 57.27 3f8m h LEU 57 Cb 0.11 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 3f8m h LEU 57 CO -0.01 1.34 0.39 0.40 -0.62 0.00 0.00 178.44 179.94 3f8m h ILE 58 N 0.53 1.22 0.00 4.05 2.04 -1.05 -1.27 117.51 123.03 3f8m h ILE 58 Ca -0.02 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3f8m h ILE 58 Cb 1.26 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3f8m h ILE 58 CO 0.14 0.25 0.00 0.47 0.00 0.00 0.00 178.15 179.00 3f8m n ASP 59 N -4.47 0.00 -0.20 1.72 8.00 -0.19 -4.86 116.55 116.55 3f8m n ASP 59 Ca 0.06 -0.21 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 3f8m n ASP 59 Cb 0.09 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3f8m n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f8m n GLY 60 N -0.17 0.56 0.08 0.44 0.00 -0.48 -4.83 105.19 100.79 3f8m n GLY 60 Ca 0.08 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3f8m n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f8m n ARG 61 N -2.17 0.50 -4.25 1.61 1.74 -0.55 -3.84 116.66 109.70 3f8m n ARG 61 Ca -0.03 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 3f8m n ARG 61 Cb 0.18 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 3f8m n ARG 61 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3f8m s VAL 62 N -3.31 0.31 0.14 1.55 -7.23 -1.18 -1.74 120.40 108.94 3f8m s VAL 62 Ca 0.01 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.02 3f8m s VAL 62 Cb 0.11 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.58 3f8m s VAL 62 CO 0.79 -0.06 0.42 -1.83 -0.31 0.00 0.00 175.10 174.11 3f8m s GLU 63 N -4.08 1.15 0.13 4.82 -1.05 0.03 -4.44 118.70 115.26 3f8m s GLU 63 Ca 0.36 -0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 54.21 3f8m s GLU 63 Cb 0.07 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.17 3f8m s GLU 63 CO 0.12 -0.46 0.65 1.03 0.95 0.00 0.00 175.26 177.55 3f8m s ARG 64 N -3.83 4.29 -0.34 -4.83 1.81 -1.26 -0.25 118.95 114.54 3f8m s ARG 64 Ca 0.05 0.85 -0.00 0.00 -1.72 0.00 0.00 55.73 54.91 3f8m s ARG 64 Cb 0.01 -3.14 0.11 0.00 -0.45 0.00 0.00 34.95 31.48 3f8m s ARG 64 CO -0.09 0.56 0.15 0.50 -0.68 0.00 0.00 175.30 175.73 3f8m s ARG 65 N -1.37 0.76 7.98 3.54 3.52 0.58 -4.89 118.95 129.07 3f8m s ARG 65 Ca 0.34 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 3f8m s ARG 65 Cb -0.19 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 3f8m s ARG 65 CO 0.21 -1.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.05 3f8m n GLY 66 N 4.50 3.94 0.00 8.12 0.00 -1.26 -1.29 105.19 119.20 3f8m n GLY 66 Ca 0.02 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3f8m n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f8m n ARG 67 N 13.97 0.46 -3.98 1.61 1.85 -1.26 -4.88 116.66 124.42 3f8m n ARG 67 Ca 0.00 0.01 -0.22 0.00 -1.00 0.00 0.00 57.85 56.64 3f8m n ARG 67 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 3f8m n ARG 67 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3f8m s THR 68 N -2.51 3.56 -0.15 8.89 -4.23 -0.41 -5.05 115.64 115.73 3f8m s THR 68 Ca 0.29 -1.51 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3f8m s THR 68 Cb 0.19 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 3f8m s THR 68 CO 0.43 -0.23 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.26 3f8m s THR 69 N -2.31 2.90 0.15 3.99 2.01 -1.26 -0.31 115.64 120.81 3f8m s THR 69 Ca 0.38 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.76 3f8m s THR 69 Cb -0.05 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3f8m s THR 69 CO 0.25 0.51 -0.17 0.68 -0.69 0.00 0.00 174.62 175.20 3f8m s VAL 70 N 0.65 1.68 0.27 3.82 -7.23 0.66 -0.92 120.40 119.33 3f8m s VAL 70 Ca -0.07 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 3f8m s VAL 70 Cb -0.16 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.93 3f8m s VAL 70 CO 0.02 -0.34 1.47 -0.69 -0.31 0.00 0.00 175.10 175.26 3f8m s VAL 71 N -2.05 2.52 0.31 1.32 1.01 -0.58 -0.79 120.40 122.15 3f8m s VAL 71 Ca 0.14 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.65 3f8m s VAL 71 Cb -0.06 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3f8m s VAL 71 CO 0.05 0.07 0.05 0.00 0.00 0.00 0.00 175.10 175.28 3f8m s ALA 72 N -0.09 3.28 -0.34 5.51 0.00 -0.71 -0.52 121.76 128.89 3f8m s ALA 72 Ca 0.59 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 3f8m s ALA 72 Cb -0.43 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3f8m s ALA 72 CO 0.45 0.14 0.75 0.50 0.00 0.00 0.00 175.76 177.60 3f8m s ARG 73 N -3.74 3.80 0.37 0.00 3.00 -1.26 -4.73 118.95 116.39 3f8m s ARG 73 Ca 0.34 0.34 -0.26 0.00 -1.00 0.00 0.00 55.73 55.15 3f8m s ARG 73 Cb -0.04 -3.78 -0.09 0.00 0.00 0.00 0.00 34.95 31.04 3f8m s ARG 73 CO 0.21 -0.77 1.17 -1.25 0.00 0.00 0.00 175.30 174.66 3f8m s PRO 74 N 2.97 4.22 0.41 5.12 0.04 -1.25 -4.95 135.00 141.56 3f8m s PRO 74 Ca 0.30 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 62.96 3f8m s PRO 74 Cb -0.14 -2.83 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 3f8m s PRO 74 CO 0.15 -0.19 1.29 0.15 0.04 0.00 0.00 177.00 178.44 3f8m s LYS 75 N -2.07 3.94 0.17 4.56 1.02 -1.26 -4.97 119.74 121.13 3f8m s LYS 75 Ca 0.53 2.12 -0.30 0.00 0.02 0.00 0.00 55.97 58.34 3f8m s LYS 75 Cb -0.32 -2.72 -0.08 0.00 -0.52 0.00 0.00 37.83 34.19 3f8m s LYS 75 CO 0.41 -0.50 1.29 0.42 -0.92 0.00 0.00 175.35 176.04 3f8m s ILE 76 N -1.29 3.37 -0.59 2.17 -1.09 -0.58 -4.77 121.20 118.41 3f8m s ILE 76 Ca 0.58 1.10 -0.15 0.00 -2.23 0.00 0.00 60.65 59.95 3f8m s ILE 76 Cb -0.37 -3.70 0.15 0.00 -1.58 0.00 0.00 42.46 36.96 3f8m s ILE 76 CO 0.47 0.15 0.54 -0.13 -1.23 0.00 0.00 174.94 174.74 3f8m s ARG 77 N 0.11 3.05 -0.32 2.79 0.52 -1.26 -0.57 118.95 123.27 3f8m s ARG 77 Ca 0.57 -1.89 -0.11 0.00 -0.52 0.00 0.00 55.73 53.77 3f8m s ARG 77 Cb -0.35 -4.27 -0.02 0.00 0.52 0.00 0.00 34.95 30.83 3f8m s ARG 77 CO 0.36 -1.30 0.20 -1.14 0.02 0.00 0.00 175.30 173.43 3f8m s GLN 78 N 1.23 3.51 0.19 3.54 0.74 0.01 -4.84 119.66 124.04 3f8m s GLN 78 Ca 0.07 -0.62 -0.31 0.00 0.05 0.00 0.00 55.36 54.55 3f8m s GLN 78 Cb -0.25 -3.69 -0.10 0.00 1.10 0.00 0.00 33.01 30.07 3f8m s GLN 78 CO -0.00 -0.39 1.52 -2.14 -0.55 0.00 0.00 175.29 173.73 3f8m s PRO 79 N 1.69 4.23 0.37 1.67 0.02 -1.26 -1.83 135.00 139.89 3f8m s PRO 79 Ca 0.06 2.34 -0.28 0.00 0.02 0.00 0.00 61.00 63.14 3f8m s PRO 79 Cb -0.17 -3.14 -0.10 0.00 0.02 0.00 0.00 34.50 31.11 3f8m s PRO 79 CO 0.09 -0.54 1.33 -0.51 -0.33 0.00 0.00 177.00 177.04 3f8m s LEU 80 N 0.63 4.32 0.00 -5.54 1.43 -0.07 -4.78 118.68 114.68 3f8m s LEU 80 Ca 0.66 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 56.50 3f8m s LEU 80 Cb -0.43 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.04 3f8m s LEU 80 CO 0.35 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.83 3f8m n GLY 81 N 0.69 0.74 1.26 -3.19 0.00 -1.26 -4.91 105.19 98.52 3f8m n GLY 81 Ca 0.02 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.22 3f8m n GLY 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3f8m n MET 82 N 0.00 3.01 -1.14 1.61 2.81 -1.26 -4.99 117.12 117.17 3f8m n MET 82 Ca 0.00 -2.61 -0.21 0.00 -1.81 0.00 0.00 57.70 53.07 3f8m n MET 82 Cb 0.00 -1.60 0.16 0.00 -0.71 0.00 0.00 33.22 31.07 3f8m n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f8m n GLY 83 N 1.24 -1.86 3.81 3.03 0.00 -1.26 -5.07 105.19 105.08 3f8m n GLY 83 Ca 0.22 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 3f8m n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f8m s SER 84 N -4.16 5.94 0.11 1.61 0.15 -1.26 -5.00 113.70 111.08 3f8m s SER 84 Ca 0.53 0.30 -0.19 0.00 0.70 0.00 0.00 55.95 57.28 3f8m s SER 84 Cb -0.03 -1.81 -0.06 0.00 -1.71 0.00 0.00 66.02 62.41 3f8m s SER 84 CO 0.38 0.35 1.70 0.22 1.20 0.00 0.00 173.24 177.09 3f8m h TYR 85 N 4.64 0.34 -0.14 3.44 3.20 -1.98 -1.09 116.97 125.38 3f8m h TYR 85 Ca -0.52 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.18 3f8m h TYR 85 Cb 1.20 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3f8m h TYR 85 CO 0.69 0.31 -0.57 1.79 -1.64 0.00 0.00 178.16 178.73 3f8m h THR 86 N 0.27 1.34 -0.51 1.81 1.35 -1.94 -2.06 112.91 113.16 3f8m h THR 86 Ca 0.08 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 64.06 3f8m h THR 86 Cb 0.09 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 3f8m h THR 86 CO -0.01 0.57 0.23 -0.33 -0.25 0.00 0.00 175.52 175.73 3f8m h GLU 87 N 0.33 0.74 -0.45 4.72 3.07 -1.95 -0.11 114.58 120.93 3f8m h GLU 87 Ca 0.00 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3f8m h GLU 87 Cb 1.10 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.86 3f8m h GLU 87 CO 0.10 0.63 0.28 0.00 -1.40 0.00 0.00 179.01 178.63 3f8m h ALA 88 N 1.08 0.57 -0.64 3.43 0.00 -0.91 -0.45 119.26 122.35 3f8m h ALA 88 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3f8m h ALA 88 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3f8m h ALA 88 CO -0.02 -0.01 0.18 0.00 0.00 0.00 0.00 179.25 179.40 3f8m h ALA 89 N 1.18 1.11 -0.81 0.00 0.00 -1.25 -2.78 119.26 116.72 3f8m h ALA 89 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3f8m h ALA 89 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3f8m h ALA 89 CO -0.06 0.60 0.43 0.87 0.00 0.00 0.00 179.25 181.09 3f8m h LYS 90 N 0.94 1.13 -0.15 0.00 6.56 -0.46 0.99 116.57 125.59 3f8m h LYS 90 Ca 0.21 -0.14 0.04 0.00 -1.06 0.00 0.00 60.65 59.70 3f8m h LYS 90 Cb 0.30 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 3f8m h LYS 90 CO -0.00 0.84 0.23 0.00 -2.06 0.00 0.00 179.45 178.46 3f8m h ALA 91 N 1.33 1.64 -0.36 3.86 0.00 -0.80 -1.80 119.26 123.13 3f8m h ALA 91 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3f8m h ALA 91 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3f8m h ALA 91 CO -0.04 -0.31 0.00 1.04 0.00 0.00 0.00 179.25 179.94 3f8m n GLN 92 N -3.51 3.08 -2.39 0.00 6.02 -0.71 -4.97 117.38 114.91 3f8m n GLN 92 Ca 0.01 -2.55 -0.20 0.00 -0.01 0.00 0.00 57.00 54.25 3f8m n GLN 92 Cb 0.34 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 3f8m n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f8m n GLY 93 N 0.17 -0.44 3.66 1.08 0.00 -0.68 -5.00 105.19 103.98 3f8m n GLY 93 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3f8m n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8m s LEU 94 N -5.95 3.48 0.10 0.99 1.43 0.26 -4.99 118.68 114.00 3f8m s LEU 94 Ca 0.00 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 3f8m s LEU 94 Cb 0.00 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 3f8m s LEU 94 CO 0.00 0.34 0.87 -0.94 0.23 0.00 0.00 176.35 176.85 3f8m s SER 95 N -1.12 7.40 0.03 2.29 1.04 -1.26 -3.39 113.70 118.68 3f8m s SER 95 Ca 0.15 1.66 0.02 0.00 0.48 0.00 0.00 55.95 58.27 3f8m s SER 95 Cb -0.11 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 3f8m s SER 95 CO 0.05 0.01 -0.06 0.00 0.98 0.00 0.00 173.24 174.22 3f8m s ALA 96 N -0.25 0.47 0.32 5.32 0.00 -1.26 -1.36 121.76 124.99 3f8m s ALA 96 Ca 0.42 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 3f8m s ALA 96 Cb -0.22 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3f8m s ALA 96 CO 0.27 -0.02 0.59 0.20 0.00 0.00 0.00 175.76 176.81 3f8m s GLY 97 N -1.26 0.68 -0.00 0.00 0.00 -0.20 -4.91 107.32 101.64 3f8m s GLY 97 Ca -0.08 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.73 3f8m s GLY 97 CO 0.00 -0.58 -0.15 0.50 0.00 0.00 0.00 173.10 172.87 3f8m s ARG 98 N -3.27 1.18 -0.04 2.90 0.52 -1.26 -0.81 118.95 118.17 3f8m s ARG 98 Ca 0.21 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 3f8m s ARG 98 Cb -0.02 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 34.29 3f8m s ARG 98 CO 0.13 0.31 -0.13 0.42 0.02 0.00 0.00 175.30 176.04 3f8m s ILE 99 N -0.45 1.15 0.23 1.52 1.01 -0.22 -4.47 121.20 119.97 3f8m s ILE 99 Ca 0.05 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3f8m s ILE 99 Cb -0.06 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 3f8m s ILE 99 CO -0.00 0.34 1.51 -0.22 0.00 0.00 0.00 174.94 176.57 3f8m s LEU 100 N 0.18 4.37 -0.11 2.97 2.96 -1.26 -1.00 118.68 126.79 3f8m s LEU 100 Ca -0.05 2.70 -0.10 0.00 -0.22 0.00 0.00 54.13 56.46 3f8m s LEU 100 Cb -0.11 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3f8m s LEU 100 CO 0.02 -0.78 -0.20 0.52 -1.32 0.00 0.00 176.35 174.59 3f8m n VAL 101 N 2.81 0.95 -3.56 1.68 0.31 0.11 -4.84 118.33 115.79 3f8m n VAL 101 Ca 0.09 0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 64.57 3f8m n VAL 101 Cb 0.39 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 3f8m n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f8m s ALA 102 N -2.91 -1.87 0.07 3.52 0.00 -1.04 -5.02 121.76 114.51 3f8m s ALA 102 Ca -0.16 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 3f8m s ALA 102 Cb 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 3f8m s ALA 102 CO 0.24 -0.33 0.42 -1.58 0.00 0.00 0.00 175.76 174.52 3f8m s TRP 103 N -0.95 3.61 0.01 0.00 0.52 -1.26 -1.34 118.94 119.53 3f8m s TRP 103 Ca -0.05 0.86 0.02 0.00 0.02 0.00 0.00 56.10 56.96 3f8m s TRP 103 Cb -0.01 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3f8m s TRP 103 CO 0.04 0.53 -0.06 -1.12 0.02 0.00 0.00 176.95 176.35 3f8m s SER 104 N -1.63 0.72 -0.26 2.95 0.01 -0.06 -5.00 113.70 110.43 3f8m s SER 104 Ca 0.32 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.24 3f8m s SER 104 Cb -0.15 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 3f8m s SER 104 CO 0.17 -0.02 0.11 -1.81 0.41 0.00 0.00 173.24 172.10 3f8m s ASP 105 N -0.61 5.47 0.44 2.44 1.01 -1.26 -0.49 116.67 123.66 3f8m s ASP 105 Ca -0.02 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.15 3f8m s ASP 105 Cb -0.05 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 3f8m s ASP 105 CO 0.00 -0.03 0.05 -0.76 0.21 0.00 0.00 175.17 174.64 3f8m s LEU 106 N 1.61 2.26 0.14 1.23 1.43 0.12 -4.99 118.68 120.49 3f8m s LEU 106 Ca 0.06 -1.58 0.11 0.00 -1.03 0.00 0.00 54.13 51.69 3f8m s LEU 106 Cb -0.15 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3f8m s LEU 106 CO 0.06 -0.79 -0.25 0.42 0.23 0.00 0.00 176.35 176.02 3f8m s THR 107 N -3.02 2.22 -0.02 5.49 -4.23 -1.26 -0.48 115.64 114.33 3f8m s THR 107 Ca 0.20 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.59 3f8m s THR 107 Cb 0.04 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 3f8m s THR 107 CO 0.11 0.01 1.17 0.00 -0.54 0.00 0.00 174.62 175.37 3f8m s ALA 108 N -1.26 3.43 0.88 3.99 0.00 0.10 -4.85 121.76 124.06 3f8m s ALA 108 Ca 0.15 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 3f8m s ALA 108 Cb -0.09 -3.48 0.14 0.00 0.00 0.00 0.00 23.12 19.69 3f8m s ALA 108 CO 0.07 -0.62 0.88 -0.40 0.00 0.00 0.00 175.76 175.68 3f8m n ASP 109 N 4.74 0.39 -0.31 0.00 5.68 -1.26 -1.04 116.55 124.74 3f8m n ASP 109 Ca 0.10 -1.51 -0.04 0.00 -0.50 0.00 0.00 54.79 52.83 3f8m n ASP 109 Cb 0.47 -0.64 0.08 0.00 -1.14 0.00 0.00 41.12 39.88 3f8m n ASP 109 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3f8m h GLU 110 N 0.00 1.17 0.22 0.11 4.81 -1.97 0.39 114.58 119.31 3f8m h GLU 110 Ca -0.29 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3f8m h GLU 110 Cb 0.86 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3f8m h GLU 110 CO 0.23 0.86 -0.11 0.28 -0.73 0.00 0.00 179.01 179.55 3f8m h VAL 111 N 1.17 0.84 -0.14 0.32 2.07 -2.00 -2.07 116.25 116.43 3f8m h VAL 111 Ca 0.29 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3f8m h VAL 111 Cb 0.03 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3f8m h VAL 111 CO -0.05 0.08 -0.32 0.25 0.02 0.00 0.00 177.57 177.55 3f8m h LEU 112 N -0.47 0.29 -0.51 2.57 5.85 -1.84 -0.95 115.31 120.26 3f8m h LEU 112 Ca -0.03 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3f8m h LEU 112 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3f8m h LEU 112 CO 0.05 0.60 0.23 0.00 -0.34 0.00 0.00 178.44 178.99 3f8m h ALA 113 N 1.42 0.65 -0.38 1.25 0.00 -0.22 -0.40 119.26 121.58 3f8m h ALA 113 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3f8m h ALA 113 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3f8m h ALA 113 CO 0.05 0.23 0.18 0.78 0.00 0.00 0.00 179.25 180.49 3f8m h GLY 114 N 0.67 0.50 0.88 0.00 0.00 -0.83 -0.22 103.07 104.07 3f8m h GLY 114 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3f8m h GLY 114 CO -0.02 0.08 0.28 -2.08 0.00 0.00 0.00 176.54 174.81 3f8m h VAL 115 N 0.36 1.04 -0.01 4.60 2.07 -0.87 -3.03 116.25 120.42 3f8m h VAL 115 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3f8m h VAL 115 Cb 0.09 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3f8m h VAL 115 CO -0.12 0.10 -0.22 0.18 0.02 0.00 0.00 177.57 177.53 3f8m n LEU 116 N -4.82 1.16 -3.69 2.57 4.77 -0.19 -4.82 117.00 111.98 3f8m n LEU 116 Ca 0.03 -0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 55.43 3f8m n LEU 116 Cb 0.07 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3f8m n LEU 116 CO 0.32 0.21 0.17 0.61 -1.33 0.00 0.00 177.39 177.37 3f8m n GLY 117 N 1.31 -0.50 3.55 -0.72 0.00 -0.18 -4.34 105.19 104.32 3f8m n GLY 117 Ca 0.13 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 3f8m n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f8m s VAL 118 N -3.34 2.40 0.48 1.61 -7.23 -0.70 -5.01 120.40 108.62 3f8m s VAL 118 Ca 0.52 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 58.25 3f8m s VAL 118 Cb -0.24 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 3f8m s VAL 118 CO 0.77 -0.25 1.34 -1.81 -0.31 0.00 0.00 175.10 174.84 3f8m s ASP 119 N -3.61 5.75 0.23 4.85 1.01 -1.26 -4.51 116.67 119.13 3f8m s ASP 119 Ca 0.32 2.73 -0.32 0.00 0.71 0.00 0.00 52.55 56.00 3f8m s ASP 119 Cb 0.00 -2.64 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 3f8m s ASP 119 CO 0.17 -1.24 1.55 0.52 0.21 0.00 0.00 175.17 176.38 3f8m n VAL 120 N -0.50 0.55 -0.34 -1.27 0.31 -1.26 -1.95 118.33 113.88 3f8m n VAL 120 Ca 0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3f8m n VAL 120 Cb 0.44 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3f8m n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f8m n GLY 121 N 2.80 0.82 3.77 2.92 0.00 -0.21 -4.98 105.19 110.31 3f8m n GLY 121 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3f8m n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8m s ALA 122 N -2.76 2.73 0.30 4.61 0.00 -0.82 -4.49 121.76 121.33 3f8m s ALA 122 Ca 0.00 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 3f8m s ALA 122 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3f8m s ALA 122 CO 0.00 -0.88 1.18 -1.25 0.00 0.00 0.00 175.76 174.81 3f8m s PRO 123 N -3.14 4.51 -0.08 0.00 0.04 -1.26 -0.72 135.00 134.35 3f8m s PRO 123 Ca 0.72 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.75 3f8m s PRO 123 Cb -0.28 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.14 3f8m s PRO 123 CO 0.31 0.04 -0.18 0.08 0.04 0.00 0.00 177.00 177.30 3f8m s VAL 124 N -1.16 1.55 -0.21 -0.36 1.01 0.36 -1.58 120.40 120.01 3f8m s VAL 124 Ca 0.47 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3f8m s VAL 124 Cb -0.35 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3f8m s VAL 124 CO 0.45 0.45 0.02 -0.22 0.00 0.00 0.00 175.10 175.81 3f8m s LEU 125 N 0.49 3.33 -0.12 3.92 2.96 0.21 0.16 118.68 129.63 3f8m s LEU 125 Ca -0.16 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3f8m s LEU 125 Cb -0.17 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3f8m s LEU 125 CO 0.06 0.04 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.49 3f8m s GLN 126 N 1.17 3.28 -0.19 1.98 0.74 0.36 -0.89 119.66 126.10 3f8m s GLN 126 Ca 0.03 -0.55 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 3f8m s GLN 126 Cb -0.14 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.21 3f8m s GLN 126 CO 0.02 0.41 -0.12 -1.17 -0.55 0.00 0.00 175.29 173.88 3f8m s LEU 127 N -0.11 2.56 -0.14 3.68 2.96 0.01 -0.88 118.68 126.75 3f8m s LEU 127 Ca 0.02 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3f8m s LEU 127 Cb -0.13 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3f8m s LEU 127 CO 0.03 0.02 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.35 3f8m s GLU 128 N 1.19 3.39 0.03 1.98 2.02 -0.45 -0.34 118.70 126.52 3f8m s GLU 128 Ca 0.02 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 3f8m s GLU 128 Cb -0.14 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 3f8m s GLU 128 CO -0.05 0.16 -0.02 1.03 0.02 0.00 0.00 175.26 176.40 3f8m s ARG 129 N 0.51 0.42 -0.08 1.61 0.52 -0.30 -0.72 118.95 120.91 3f8m s ARG 129 Ca -0.08 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.33 3f8m s ARG 129 Cb -0.16 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 3f8m s ARG 129 CO 0.04 -0.07 0.03 0.54 0.02 0.00 0.00 175.30 175.85 3f8m s VAL 130 N -2.21 4.53 -0.16 3.52 0.11 -0.17 -0.60 120.40 125.42 3f8m s VAL 130 Ca -0.09 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 58.68 3f8m s VAL 130 Cb -0.04 -2.94 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 3f8m s VAL 130 CO -0.04 0.57 0.10 -0.76 -3.33 0.00 0.00 175.10 171.65 3f8m s LEU 131 N -1.02 4.08 0.10 2.54 1.43 0.34 -1.06 118.68 125.09 3f8m s LEU 131 Ca 0.15 0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 3f8m s LEU 131 Cb -0.11 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3f8m s LEU 131 CO 0.04 0.26 -0.14 0.42 0.23 0.00 0.00 176.35 177.16 3f8m s THR 132 N -0.13 1.27 -0.08 5.49 -4.23 0.01 -0.14 115.64 117.82 3f8m s THR 132 Ca 0.09 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3f8m s THR 132 Cb -0.12 -1.38 0.04 0.00 1.34 0.00 0.00 72.50 72.38 3f8m s THR 132 CO 0.01 -0.34 0.19 -0.89 -0.54 0.00 0.00 174.62 173.04 3f8m s THR 133 N -1.82 -0.04 -1.51 3.99 2.01 -0.38 -1.03 115.64 116.86 3f8m s THR 133 Ca 0.05 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 3f8m s THR 133 Cb -0.07 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.20 3f8m s THR 133 CO 0.03 0.06 0.53 -0.67 -0.69 0.00 0.00 174.62 173.88 3f8m n ASP 134 N 4.03 -1.35 0.00 3.53 2.03 -0.46 -1.12 116.55 123.21 3f8m n ASP 134 Ca -0.24 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.06 3f8m n ASP 134 Cb 0.53 -2.92 0.00 0.00 -0.72 0.00 0.00 41.12 38.01 3f8m n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f8m n GLY 135 N -1.82 1.34 3.43 0.27 0.00 -1.26 -5.02 105.19 102.12 3f8m n GLY 135 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3f8m n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f8m s VAL 136 N -3.55 2.51 0.25 1.61 -7.23 -0.27 -5.11 120.40 108.61 3f8m s VAL 136 Ca 0.00 -1.62 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 3f8m s VAL 136 Cb 0.00 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 3f8m s VAL 136 CO 0.00 0.11 0.99 -0.13 -0.31 0.00 0.00 175.10 175.76 3f8m s ARG 137 N -2.05 4.78 -0.06 4.82 1.81 -1.26 -1.25 118.95 125.75 3f8m s ARG 137 Ca 0.16 1.59 -0.00 0.00 -1.72 0.00 0.00 55.73 55.75 3f8m s ARG 137 Cb -0.10 -3.24 -0.04 0.00 -0.45 0.00 0.00 34.95 31.12 3f8m s ARG 137 CO 0.08 0.42 -0.06 0.28 -0.68 0.00 0.00 175.30 175.33 3f8m n VAL 138 N 1.38 0.34 -3.46 3.52 0.31 0.80 -4.90 118.33 116.31 3f8m n VAL 138 Ca -0.02 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 3f8m n VAL 138 Cb 0.46 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 3f8m n VAL 138 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3f8m s GLY 139 N -4.66 -0.57 -0.24 2.92 0.00 -1.07 -0.46 107.32 103.24 3f8m s GLY 139 Ca -0.08 0.82 -0.06 0.00 0.00 0.00 0.00 44.72 45.40 3f8m s GLY 139 CO 0.13 0.40 0.03 -2.27 0.00 0.00 0.00 173.10 171.39 3f8m s LEU 140 N -2.29 3.26 -0.24 0.66 2.96 0.34 -0.51 118.68 122.86 3f8m s LEU 140 Ca -0.01 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 3f8m s LEU 140 Cb -0.01 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3f8m s LEU 140 CO -0.07 -0.02 0.02 -0.70 -1.32 0.00 0.00 176.35 174.26 3f8m s GLU 141 N 1.52 3.49 -0.30 1.98 2.12 0.24 -0.57 118.70 127.17 3f8m s GLU 141 Ca 0.06 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.83 3f8m s GLU 141 Cb -0.15 -3.18 0.07 0.00 0.26 0.00 0.00 34.13 31.13 3f8m s GLU 141 CO 0.01 -0.21 -0.02 0.99 -0.54 0.00 0.00 175.26 175.49 3f8m s THR 142 N 1.54 2.54 -0.23 -1.70 2.01 0.16 -1.15 115.64 118.81 3f8m s THR 142 Ca 0.06 -1.70 -0.07 0.00 0.31 0.00 0.00 61.69 60.29 3f8m s THR 142 Cb -0.15 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3f8m s THR 142 CO 0.00 -0.19 0.07 -0.89 -0.69 0.00 0.00 174.62 172.92 3f8m s THR 143 N 1.12 4.49 -0.24 -0.82 2.01 0.54 -0.47 115.64 122.27 3f8m s THR 143 Ca -0.03 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 3f8m s THR 143 Cb -0.20 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3f8m s THR 143 CO -0.04 0.37 0.15 -0.54 -0.69 0.00 0.00 174.62 173.86 3f8m s LYS 144 N 1.28 3.99 -0.02 4.92 1.02 0.67 -0.81 119.74 130.80 3f8m s LYS 144 Ca 0.05 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 55.79 3f8m s LYS 144 Cb -0.15 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3f8m s LYS 144 CO 0.04 -0.00 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.74 3f8m s LEU 145 N 1.22 2.36 -0.37 3.17 1.43 -0.07 -1.04 118.68 125.39 3f8m s LEU 145 Ca 0.07 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 3f8m s LEU 145 Cb -0.14 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 3f8m s LEU 145 CO 0.06 0.32 1.81 -2.16 0.23 0.00 0.00 176.35 176.60 3f8m s PRO 146 N -0.80 3.23 0.42 1.29 0.04 -1.26 -0.62 135.00 137.30 3f8m s PRO 146 Ca 0.11 1.32 0.11 0.00 0.04 0.00 0.00 61.00 62.59 3f8m s PRO 146 Cb -0.10 -4.22 0.96 0.00 0.04 0.00 0.00 34.50 31.17 3f8m s PRO 146 CO 0.00 -1.98 2.01 0.00 0.04 0.00 0.00 177.00 177.07 3f8m h ALA 147 N 13.22 1.89 -0.28 8.56 0.00 -1.61 -1.93 119.26 139.10 3f8m h ALA 147 Ca -0.32 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3f8m h ALA 147 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3f8m h ALA 147 CO 1.06 0.03 0.23 0.37 0.00 0.00 0.00 179.25 180.93 3f8m h GLN 148 N 0.47 0.00 0.00 0.00 -0.00 -1.90 -2.14 115.11 111.53 3f8m h GLN 148 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.84 3f8m h GLN 148 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 3f8m h GLN 148 CO -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 178.83 178.62 3f8m h ARG 149 N 0.00 0.00 -2.04 1.69 3.08 -1.74 -3.39 114.38 111.98 3f8m h ARG 149 Ca 0.13 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.66 3f8m h ARG 149 Cb 0.59 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.23 3f8m h ARG 149 CO -0.00 0.15 -0.93 0.66 -1.07 0.00 0.00 179.97 178.78 3f8m n TYR 150 N -3.21 2.12 -1.68 3.04 4.01 -0.81 -5.10 117.16 115.54 3f8m n TYR 150 Ca 0.02 -3.80 -0.44 0.00 -0.16 0.00 0.00 57.90 53.52 3f8m n TYR 150 Cb 0.47 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 3f8m n TYR 150 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3f8m n PRO 151 N -0.01 2.09 -0.99 -0.72 -0.04 -1.26 -2.05 135.00 132.02 3f8m n PRO 151 Ca 0.27 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3f8m n PRO 151 Cb 0.55 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3f8m n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f8m n GLY 152 N 1.66 0.89 0.12 0.55 0.00 -1.26 -4.91 105.19 102.24 3f8m n GLY 152 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3f8m n GLY 152 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f8m h LEU 153 N 0.00 0.29 -1.42 0.99 5.85 -1.82 -1.31 115.31 117.89 3f8m h LEU 153 Ca 0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3f8m h LEU 153 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3f8m h LEU 153 CO 0.00 0.31 -0.28 -0.09 -0.34 0.00 0.00 178.44 178.05 3f8m h ARG 154 N 0.25 0.02 0.11 1.25 2.43 -1.91 -0.24 114.38 116.29 3f8m h ARG 154 Ca 0.08 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.95 3f8m h ARG 154 Cb 0.09 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3f8m h ARG 154 CO -0.01 0.30 -1.44 0.93 -1.51 0.00 0.00 179.97 178.23 3f8m h GLU 155 N 0.02 0.24 0.00 0.20 3.07 -1.91 -3.40 114.58 112.80 3f8m h GLU 155 Ca 0.00 -0.40 -0.12 0.00 -0.50 0.00 0.00 59.36 58.33 3f8m h GLU 155 Cb 0.50 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 3f8m h GLU 155 CO 0.04 1.11 -1.72 0.25 -1.40 0.00 0.00 179.01 177.29 3f8m n THR 156 N -3.45 0.46 -2.18 1.13 -2.24 -0.52 -5.03 114.28 102.44 3f8m n THR 156 Ca -0.14 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 3f8m n THR 156 Cb 1.03 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3f8m n THR 156 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3f8m s PHE 157 N -2.56 3.21 -0.61 4.78 5.36 -0.12 -4.95 117.98 123.10 3f8m s PHE 157 Ca -0.05 1.22 -0.28 0.00 -0.96 0.00 0.00 56.93 56.86 3f8m s PHE 157 Cb 0.06 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 3f8m s PHE 157 CO 0.51 -1.96 1.37 0.34 -1.46 0.00 0.00 175.22 174.03 3f8m s ASP 158 N 0.23 6.14 0.07 6.13 2.15 -1.26 -4.90 116.67 125.23 3f8m s ASP 158 Ca 0.56 0.07 0.13 0.00 0.43 0.00 0.00 52.55 53.74 3f8m s ASP 158 Cb -0.37 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.25 3f8m s ASP 158 CO 0.40 -1.74 1.39 0.00 -0.17 0.00 0.00 175.17 175.05 3f8m n HIS 159 N 9.53 0.21 0.58 -5.34 1.44 -1.26 -0.66 115.22 119.71 3f8m n HIS 159 Ca 0.10 0.09 0.13 0.00 -2.01 0.00 0.00 57.72 56.03 3f8m n HIS 159 Cb 0.49 -0.64 0.34 0.00 0.12 0.00 0.00 29.99 30.30 3f8m n HIS 159 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3f8m h GLU 160 N 0.00 0.00 -7.18 -1.40 5.08 -1.91 -3.43 114.58 105.74 3f8m h GLU 160 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3f8m h GLU 160 Cb 0.17 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.51 3f8m h GLU 160 CO 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 179.01 178.15 3f8m s ALA 161 N -3.12 3.60 -0.07 3.43 0.00 0.16 -4.36 121.76 121.41 3f8m s ALA 161 Ca 0.09 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 3f8m s ALA 161 Cb 0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3f8m s ALA 161 CO 0.63 -1.60 1.47 0.45 0.00 0.00 0.00 175.76 176.71 3f8m s SER 162 N -4.78 6.80 0.27 0.00 0.15 -1.26 -4.91 113.70 109.96 3f8m s SER 162 Ca 0.68 2.05 0.02 0.00 0.70 0.00 0.00 55.95 59.39 3f8m s SER 162 Cb -0.05 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.09 3f8m s SER 162 CO 0.45 -0.82 1.69 0.25 1.20 0.00 0.00 173.24 176.02 3f8m h LEU 163 N 9.52 0.51 -0.34 3.45 5.85 -1.95 -2.70 115.31 129.65 3f8m h LEU 163 Ca -0.35 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 3f8m h LEU 163 Cb 1.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3f8m h LEU 163 CO 0.94 0.78 0.14 1.88 -0.34 0.00 0.00 178.44 181.84 3f8m h TYR 164 N 0.43 0.52 -0.55 1.25 -1.99 -1.99 -0.54 116.97 114.10 3f8m h TYR 164 Ca 0.06 -0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.82 3f8m h TYR 164 Cb 0.72 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 39.24 3f8m h TYR 164 CO 0.02 0.48 0.24 0.00 -0.00 0.00 0.00 178.16 178.90 3f8m h ALA 165 N 0.98 0.70 -0.61 3.88 0.00 -1.96 -1.32 119.26 120.93 3f8m h ALA 165 Ca 0.11 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3f8m h ALA 165 Cb 0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3f8m h ALA 165 CO -0.01 -0.15 0.38 1.49 0.00 0.00 0.00 179.25 180.97 3f8m h GLU 166 N 0.44 0.74 -0.48 0.00 4.57 -1.17 -0.36 114.58 118.32 3f8m h GLU 166 Ca 0.26 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3f8m h GLU 166 Cb 0.25 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3f8m h GLU 166 CO -0.23 0.49 0.20 0.82 -1.18 0.00 0.00 179.01 179.11 3f8m h ILE 167 N 0.76 1.20 -0.73 2.32 2.04 -0.91 -2.40 117.51 119.80 3f8m h ILE 167 Ca 0.24 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3f8m h ILE 167 Cb -0.01 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3f8m h ILE 167 CO -0.09 0.23 0.41 -0.09 0.00 0.00 0.00 178.15 178.61 3f8m h ARG 168 N 0.63 1.00 0.00 2.37 2.43 -1.03 -1.79 114.38 117.99 3f8m h ARG 168 Ca 0.16 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3f8m h ARG 168 Cb 0.17 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3f8m h ARG 168 CO -0.02 0.72 -0.04 0.66 -1.51 0.00 0.00 179.97 179.78 3f8m h SER 169 N 1.01 0.00 -0.12 -3.80 4.64 -0.63 0.64 113.55 115.28 3f8m h SER 169 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3f8m h SER 169 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3f8m h SER 169 CO -0.04 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3f8m n ARG 170 N -3.32 1.59 -0.31 4.77 1.74 -0.71 -4.93 116.66 115.50 3f8m n ARG 170 Ca -0.02 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 3f8m n ARG 170 Cb 0.19 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3f8m n ARG 170 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f8m n GLY 171 N 1.08 0.84 3.23 -0.13 0.00 0.21 -5.05 105.19 105.37 3f8m n GLY 171 Ca 0.16 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3f8m n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8m s ILE 172 N -2.00 3.48 -0.05 -0.61 1.01 -1.01 -5.01 121.20 117.00 3f8m s ILE 172 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 60.65 59.25 3f8m s ILE 172 Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 3f8m s ILE 172 CO 0.00 -0.16 0.43 0.00 0.00 0.00 0.00 174.94 175.21 3f8m s ALA 173 N 1.34 3.60 -0.25 9.38 0.00 -1.26 -3.28 121.76 131.29 3f8m s ALA 173 Ca -0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3f8m s ALA 173 Cb -0.20 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3f8m s ALA 173 CO 0.01 0.27 1.16 -0.06 0.00 0.00 0.00 175.76 177.14 3f8m s PHE 174 N -0.31 3.02 -0.03 0.00 0.40 -1.26 -3.24 117.98 116.55 3f8m s PHE 174 Ca 0.24 1.15 0.01 0.00 -0.60 0.00 0.00 56.93 57.73 3f8m s PHE 174 Cb -0.16 -3.57 -0.03 0.00 0.51 0.00 0.00 43.02 39.77 3f8m s PHE 174 CO 0.12 -1.14 -0.01 2.41 0.70 0.00 0.00 175.22 177.29 3f8m n THR 175 N 5.65 0.21 -3.80 0.64 -1.04 -0.04 -5.00 114.28 110.90 3f8m n THR 175 Ca 0.13 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 3f8m n THR 175 Cb 0.46 -0.75 -0.13 0.00 -1.82 0.00 0.00 70.33 68.09 3f8m n THR 175 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3f8m s ARG 176 N -2.07 0.16 0.01 -2.82 3.52 -1.02 -5.01 118.95 111.72 3f8m s ARG 176 Ca -0.03 0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 3f8m s ARG 176 Cb 0.01 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 3f8m s ARG 176 CO 0.10 -0.06 -0.16 0.95 -0.81 0.00 0.00 175.30 175.32 3f8m s THR 177 N 0.38 1.27 -0.22 4.11 -4.23 -1.26 -0.29 115.64 115.39 3f8m s THR 177 Ca -0.02 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3f8m s THR 177 Cb -0.04 -1.09 0.06 0.00 1.34 0.00 0.00 72.50 72.77 3f8m s THR 177 CO -0.02 0.21 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.53 3f8m s VAL 178 N -0.59 1.47 -0.11 2.29 1.01 -0.35 -5.00 120.40 119.11 3f8m s VAL 178 Ca 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3f8m s VAL 178 Cb -0.07 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3f8m s VAL 178 CO 0.00 -0.06 0.05 -1.81 0.00 0.00 0.00 175.10 173.28 3f8m s ASP 179 N 1.43 5.58 -0.03 3.32 1.01 -1.26 -1.69 116.67 125.04 3f8m s ASP 179 Ca -0.05 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.44 3f8m s ASP 179 Cb -0.18 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 3f8m s ASP 179 CO -0.07 0.35 -0.03 0.42 0.21 0.00 0.00 175.17 176.05 3f8m s THR 180 N -0.69 3.96 -0.16 -1.27 -4.23 0.94 -4.96 115.64 109.23 3f8m s THR 180 Ca 0.12 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 3f8m s THR 180 Cb -0.12 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.04 3f8m s THR 180 CO 0.02 0.47 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.81 3f8m s ILE 181 N -0.97 1.58 0.23 2.99 1.01 -1.26 -1.08 121.20 123.70 3f8m s ILE 181 Ca 0.16 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.20 3f8m s ILE 181 Cb -0.11 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 3f8m s ILE 181 CO 0.06 0.40 -0.14 -1.81 0.00 0.00 0.00 174.94 173.45 3f8m s ASP 182 N 1.47 2.84 0.42 3.58 1.01 -0.23 -5.00 116.67 120.76 3f8m s ASP 182 Ca 0.04 -1.05 -0.07 0.00 0.71 0.00 0.00 52.55 52.18 3f8m s ASP 182 Cb -0.13 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 3f8m s ASP 182 CO -0.10 -0.15 0.74 0.42 0.21 0.00 0.00 175.17 176.28 3f8m s THR 183 N -2.87 4.88 0.20 -1.27 -4.23 -1.26 0.04 115.64 111.13 3f8m s THR 183 Ca 0.25 0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 60.86 3f8m s THR 183 Cb -0.01 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 70.09 3f8m s THR 183 CO 0.09 -0.63 0.77 0.00 -0.54 0.00 0.00 174.62 174.32 3f8m s ALA 184 N -2.48 -1.45 0.13 3.99 0.00 -0.48 -4.69 121.76 116.78 3f8m s ALA 184 Ca 0.48 0.06 0.11 0.00 0.00 0.00 0.00 51.96 52.61 3f8m s ALA 184 Cb -0.10 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3f8m s ALA 184 CO 0.37 -0.96 -0.26 -0.51 0.00 0.00 0.00 175.76 174.39 3f8m s LEU 185 N -2.86 2.34 0.27 0.00 1.43 -1.26 -0.62 118.68 117.98 3f8m s LEU 185 Ca 0.09 -0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 52.22 3f8m s LEU 185 Cb -0.03 -1.23 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 3f8m s LEU 185 CO 0.01 0.18 0.83 -2.16 0.23 0.00 0.00 176.35 175.43 3f8m s PRO 186 N -2.08 4.40 1.10 1.29 0.04 -1.26 -5.00 135.00 133.48 3f8m s PRO 186 Ca 0.14 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 3f8m s PRO 186 Cb -0.10 -2.83 0.26 0.00 0.04 0.00 0.00 34.50 31.87 3f8m s PRO 186 CO 0.06 0.34 1.22 -0.40 0.04 0.00 0.00 177.00 178.26 3f8m n ASP 187 N 0.63 -0.95 -0.16 6.66 5.68 -1.26 -4.66 116.55 122.49 3f8m n ASP 187 Ca -0.00 -1.33 -0.05 0.00 -0.50 0.00 0.00 54.79 52.91 3f8m n ASP 187 Cb 0.51 -1.01 0.05 0.00 -1.14 0.00 0.00 41.12 39.52 3f8m n ASP 187 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f8m h ALA 188 N -2.25 0.62 -0.37 2.12 0.00 -1.99 0.13 119.26 117.52 3f8m h ALA 188 Ca -0.42 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3f8m h ALA 188 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3f8m h ALA 188 CO 0.29 -0.10 0.07 -0.09 0.00 0.00 0.00 179.25 179.41 3f8m h ARG 189 N 0.48 0.61 -0.72 0.00 2.43 -1.99 -1.98 114.38 113.22 3f8m h ARG 189 Ca 0.21 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3f8m h ARG 189 Cb 0.12 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3f8m h ARG 189 CO -0.15 0.67 0.40 0.93 -1.51 0.00 0.00 179.97 180.31 3f8m h GLU 190 N 0.46 0.99 -0.73 0.20 5.08 -1.82 -1.04 114.58 117.72 3f8m h GLU 190 Ca 0.11 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3f8m h GLU 190 Cb 0.35 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3f8m h GLU 190 CO 0.01 0.74 0.38 0.00 -1.00 0.00 0.00 179.01 179.13 3f8m h ALA 191 N 1.20 0.94 -0.24 3.43 0.00 -0.64 -1.87 119.26 122.09 3f8m h ALA 191 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3f8m h ALA 191 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3f8m h ALA 191 CO -0.04 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.72 3f8m h ALA 192 N 1.19 0.32 -0.02 0.00 0.00 -0.88 -0.42 119.26 119.46 3f8m h ALA 192 Ca 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3f8m h ALA 192 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3f8m h ALA 192 CO -0.04 0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 179.08 3f8m h LEU 193 N 0.20 0.02 -2.95 0.00 3.38 -1.05 -3.22 115.31 111.69 3f8m h LEU 193 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3f8m h LEU 193 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3f8m h LEU 193 CO 0.01 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.81 3f8m n LEU 194 N -4.44 3.34 -1.83 1.67 4.77 -0.72 -4.94 117.00 114.85 3f8m n LEU 194 Ca -0.03 -2.19 -0.18 0.00 -0.03 0.00 0.00 56.01 53.58 3f8m n LEU 194 Cb 0.16 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3f8m n LEU 194 CO 0.35 0.76 -0.21 0.61 -1.33 0.00 0.00 177.39 177.57 3f8m n GLY 195 N 0.54 0.30 3.46 -0.72 0.00 -0.93 -4.68 105.19 103.17 3f8m n GLY 195 Ca 0.16 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3f8m n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8m n ALA 196 N -0.86 0.74 -2.59 4.61 0.00 -0.21 -5.04 120.51 117.16 3f8m n ALA 196 Ca -0.20 -2.03 -0.28 0.00 0.00 0.00 0.00 53.44 50.93 3f8m n ALA 196 Cb 0.64 0.87 -0.08 0.00 0.00 0.00 0.00 19.45 20.88 3f8m n ALA 196 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3f8m s ASP 197 N -3.91 3.21 0.63 0.00 1.47 -1.26 -4.57 116.67 112.24 3f8m s ASP 197 Ca 0.26 -1.72 0.37 0.00 1.18 0.00 0.00 52.55 52.63 3f8m s ASP 197 Cb -0.02 0.61 2.10 0.00 -0.34 0.00 0.00 42.92 45.27 3f8m s ASP 197 CO 0.16 -0.97 2.29 0.00 0.68 0.00 0.00 175.17 177.33 3f8m h ALA 198 N 1.62 1.29 -0.02 2.11 0.00 -1.93 -1.72 119.26 120.62 3f8m h ALA 198 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3f8m h ALA 198 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3f8m h ALA 198 CO 0.59 -0.03 -0.32 0.54 0.00 0.00 0.00 179.25 180.03 3f8m n ARG 199 N -3.45 1.36 -1.88 0.00 1.74 -1.26 -4.44 116.66 108.74 3f8m n ARG 199 Ca -0.03 -1.06 -0.42 0.00 -0.77 0.00 0.00 57.85 55.57 3f8m n ARG 199 Cb 0.11 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3f8m n ARG 199 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3f8m s THR 200 N -2.37 3.26 0.17 0.55 2.01 -0.65 -4.95 115.64 113.68 3f8m s THR 200 Ca 0.23 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 3f8m s THR 200 Cb 0.19 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 3f8m s THR 200 CO 0.50 -0.03 1.42 -2.84 -0.69 0.00 0.00 174.62 172.98 3f8m s PRO 201 N 3.85 4.30 0.17 4.92 0.02 -1.26 -4.27 135.00 142.72 3f8m s PRO 201 Ca 0.78 2.18 0.09 0.00 0.02 0.00 0.00 61.00 64.08 3f8m s PRO 201 Cb -0.38 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 3f8m s PRO 201 CO 0.34 -0.43 -0.20 -1.64 -0.33 0.00 0.00 177.00 174.74 3f8m s MET 202 N 0.54 1.32 -0.01 5.54 -1.94 0.20 -1.11 119.30 123.85 3f8m s MET 202 Ca 0.63 -1.41 -0.20 0.00 -1.71 0.00 0.00 55.69 52.99 3f8m s MET 202 Cb -0.39 -1.47 -0.05 0.00 2.01 0.00 0.00 34.83 34.92 3f8m s MET 202 CO 0.35 0.31 0.59 -0.06 -0.01 0.00 0.00 175.02 176.20 3f8m s PHE 203 N -1.86 3.68 -0.31 -0.03 0.08 0.05 -1.38 117.98 118.22 3f8m s PHE 203 Ca 0.16 1.19 -0.04 0.00 0.12 0.00 0.00 56.93 58.37 3f8m s PHE 203 Cb -0.07 -2.61 0.04 0.00 -0.57 0.00 0.00 43.02 39.82 3f8m s PHE 203 CO 0.07 0.35 0.03 -1.17 -0.10 0.00 0.00 175.22 174.41 3f8m s LEU 204 N -0.18 3.99 -0.12 -0.37 2.96 0.11 -0.83 118.68 124.24 3f8m s LEU 204 Ca 0.31 -1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.01 3f8m s LEU 204 Cb -0.18 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3f8m s LEU 204 CO 0.17 -0.27 0.01 -0.76 -1.32 0.00 0.00 176.35 174.18 3f8m s LEU 205 N 1.32 3.60 -0.12 -0.68 1.02 0.25 -1.07 118.68 123.00 3f8m s LEU 205 Ca -0.03 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.24 3f8m s LEU 205 Cb -0.19 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.18 3f8m s LEU 205 CO 0.00 0.31 -0.19 0.20 0.02 0.00 0.00 176.35 176.69 3f8m s ASN 206 N -0.46 2.77 0.01 2.29 0.01 -0.24 -0.92 114.94 118.41 3f8m s ASN 206 Ca 0.08 -0.51 0.08 0.00 -0.71 0.00 0.00 52.86 51.80 3f8m s ASN 206 Cb -0.12 -1.27 -0.02 0.00 0.41 0.00 0.00 41.25 40.25 3f8m s ASN 206 CO 0.02 0.06 -0.23 -0.60 -1.51 0.00 0.00 177.10 174.84 3f8m s ARG 207 N 0.82 1.78 -0.08 -0.60 3.52 0.37 -0.04 118.95 124.71 3f8m s ARG 207 Ca -0.09 -0.91 0.04 0.00 -0.13 0.00 0.00 55.73 54.64 3f8m s ARG 207 Cb -0.16 -1.80 -0.01 0.00 -1.56 0.00 0.00 34.95 31.42 3f8m s ARG 207 CO -0.00 0.48 -0.20 0.08 -0.81 0.00 0.00 175.30 174.85 3f8m s VAL 208 N -0.64 2.44 0.05 7.11 1.01 -0.68 -0.44 120.40 129.25 3f8m s VAL 208 Ca 0.09 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.25 3f8m s VAL 208 Cb -0.09 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3f8m s VAL 208 CO 0.00 0.56 -0.23 -0.44 0.00 0.00 0.00 175.10 174.99 3f8m s SER 209 N 0.00 3.41 0.07 3.32 0.01 -1.11 -1.21 113.70 118.20 3f8m s SER 209 Ca -0.07 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.71 3f8m s SER 209 Cb -0.15 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 3f8m s SER 209 CO 0.05 0.25 -0.15 -0.31 0.41 0.00 0.00 173.24 173.49 3f8m s TYR 210 N -0.86 1.32 0.00 2.43 2.02 0.61 -0.33 117.35 122.53 3f8m s TYR 210 Ca 0.13 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3f8m s TYR 210 Cb -0.10 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 3f8m s TYR 210 CO 0.03 0.08 0.00 -0.40 -1.57 0.00 0.00 175.55 173.69 3f8m n ASP 211 N 1.34 0.00 0.26 2.29 5.68 -0.12 -0.86 116.55 125.13 3f8m n ASP 211 Ca -0.20 -0.61 0.13 0.00 -0.50 0.00 0.00 54.79 53.60 3f8m n ASP 211 Cb 0.54 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.20 3f8m n ASP 211 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 3f8m h GLN 212 N 0.00 0.00 -0.71 0.11 -0.00 -1.87 0.12 115.11 112.76 3f8m h GLN 212 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3f8m h GLN 212 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3f8m h GLN 212 CO 0.00 0.13 0.00 -0.25 -0.00 0.00 0.00 178.83 178.71 3f8m n ASP 213 N -3.52 4.29 -2.10 0.06 8.00 -1.26 -4.93 116.55 117.09 3f8m n ASP 213 Ca -0.01 -2.19 -0.21 0.00 0.71 0.00 0.00 54.79 53.09 3f8m n ASP 213 Cb 0.28 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 3f8m n ASP 213 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3f8m n ASP 214 N 1.45 -5.78 -4.75 -2.24 2.03 0.40 -5.00 116.55 102.66 3f8m n ASP 214 Ca 0.25 0.18 -0.39 0.00 0.52 0.00 0.00 54.79 55.35 3f8m n ASP 214 Cb 0.74 -4.91 -0.05 0.00 -0.72 0.00 0.00 41.12 36.18 3f8m n ASP 214 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3f8m s VAL 215 N -2.95 4.94 0.29 5.18 1.01 -1.26 -4.71 120.40 122.91 3f8m s VAL 215 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3f8m s VAL 215 Cb 0.00 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 3f8m s VAL 215 CO 0.00 0.37 1.43 0.00 0.00 0.00 0.00 175.10 176.90 3f8m n ALA 216 N 3.01 1.58 -0.07 5.51 0.00 -1.26 -0.95 120.51 128.33 3f8m n ALA 216 Ca -0.05 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 3f8m n ALA 216 Cb 0.51 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.51 3f8m n ALA 216 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3f8m n ILE 217 N 1.46 1.62 -3.58 0.00 5.41 0.55 -4.87 119.36 119.95 3f8m n ILE 217 Ca 0.08 -0.53 -0.08 0.00 1.00 0.00 0.00 62.75 63.22 3f8m n ILE 217 Cb 0.34 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.59 3f8m n ILE 217 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3f8m s GLU 218 N -2.52 1.16 -0.16 0.38 -1.05 -1.24 -4.46 118.70 110.82 3f8m s GLU 218 Ca -0.29 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.02 3f8m s GLU 218 Cb 0.08 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.27 3f8m s GLU 218 CO 0.66 -0.52 -0.17 -1.14 0.95 0.00 0.00 175.26 175.04 3f8m s GLN 219 N -3.45 2.58 -0.15 -4.83 -0.44 -0.20 -2.75 119.66 110.43 3f8m s GLN 219 Ca 0.06 -0.67 0.01 0.00 -2.50 0.00 0.00 55.36 52.26 3f8m s GLN 219 Cb -0.02 -2.27 0.02 0.00 -1.64 0.00 0.00 33.01 29.10 3f8m s GLN 219 CO -0.06 -0.20 -0.18 0.50 0.50 0.00 0.00 175.29 175.85 3f8m s ARG 220 N 1.33 2.69 -0.18 1.67 3.52 0.42 -0.23 118.95 128.17 3f8m s ARG 220 Ca 0.03 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.84 3f8m s ARG 220 Cb -0.13 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 3f8m s ARG 220 CO -0.10 -0.12 0.06 0.50 -0.81 0.00 0.00 175.30 174.82 3f8m s ARG 221 N 1.12 3.93 -0.09 5.12 3.52 0.38 -0.48 118.95 132.46 3f8m s ARG 221 Ca -0.01 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 3f8m s ARG 221 Cb -0.14 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 3f8m s ARG 221 CO -0.07 0.30 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.53 3f8m s SER 222 N 0.30 1.81 -0.30 -2.12 0.01 -0.09 0.37 113.70 113.67 3f8m s SER 222 Ca 0.03 -0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 3f8m s SER 222 Cb -0.12 -0.72 0.04 0.00 0.21 0.00 0.00 66.02 65.43 3f8m s SER 222 CO 0.00 -0.08 0.01 -0.22 0.41 0.00 0.00 173.24 173.36 3f8m s LEU 223 N 1.38 3.90 0.02 2.44 2.96 0.26 -0.59 118.68 129.06 3f8m s LEU 223 Ca -0.02 -1.19 0.05 0.00 -0.22 0.00 0.00 54.13 52.75 3f8m s LEU 223 Cb -0.14 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3f8m s LEU 223 CO -0.04 -0.26 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.31 3f8m s TYR 224 N 1.29 2.74 0.07 5.38 2.02 -0.01 -0.50 117.35 128.34 3f8m s TYR 224 Ca -0.04 -0.14 -0.31 0.00 -0.37 0.00 0.00 57.07 56.22 3f8m s TYR 224 Cb -0.19 -1.54 -0.08 0.00 -0.40 0.00 0.00 41.96 39.75 3f8m s TYR 224 CO -0.01 0.32 1.53 1.03 -1.57 0.00 0.00 175.55 176.86 3f8m s ARG 225 N -1.44 4.24 0.35 -0.62 0.52 0.40 -0.77 118.95 121.64 3f8m s ARG 225 Ca 0.16 2.20 0.07 0.00 -0.52 0.00 0.00 55.73 57.64 3f8m s ARG 225 Cb -0.11 -3.49 0.67 0.00 0.52 0.00 0.00 34.95 32.54 3f8m s ARG 225 CO 0.07 -0.63 1.87 0.78 0.02 0.00 0.00 175.30 177.41 3f8m h GLY 226 N 8.03 0.38 1.33 -3.53 0.00 -1.43 -1.80 103.07 106.05 3f8m h GLY 226 Ca -0.41 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3f8m h GLY 226 CO 0.91 0.23 0.00 2.09 0.00 0.00 0.00 176.54 179.77 3f8m n ASP 227 N -4.25 0.00 0.00 0.19 5.68 -1.26 -3.19 116.55 113.73 3f8m n ASP 227 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 3f8m n ASP 227 Cb 0.29 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3f8m n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f8m n ARG 228 N -1.17 0.83 -3.76 0.11 1.74 -0.69 -4.71 116.66 109.00 3f8m n ARG 228 Ca 0.09 -0.81 -0.13 0.00 -0.77 0.00 0.00 57.85 56.23 3f8m n ARG 228 Cb 0.09 -0.84 -0.13 0.00 -1.02 0.00 0.00 32.46 30.56 3f8m n ARG 228 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3f8m s MET 229 N -0.38 0.16 -0.08 5.56 0.00 -1.12 -1.53 119.30 121.92 3f8m s MET 229 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 55.69 56.12 3f8m s MET 229 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 34.83 34.75 3f8m s MET 229 CO 0.00 -0.12 -0.22 0.99 0.00 0.00 0.00 175.02 175.67 3f8m s THR 230 N 0.88 1.85 -0.01 10.11 2.01 0.26 -4.80 115.64 125.93 3f8m s THR 230 Ca -0.06 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.91 3f8m s THR 230 Cb -0.08 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 3f8m s THR 230 CO -0.05 0.51 0.33 -0.36 -0.69 0.00 0.00 174.62 174.36 3f8m s PHE 231 N 0.20 3.65 0.09 4.92 0.08 -1.26 -0.81 117.98 124.85 3f8m s PHE 231 Ca -0.12 0.79 0.08 0.00 0.12 0.00 0.00 56.93 57.80 3f8m s PHE 231 Cb -0.16 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 3f8m s PHE 231 CO 0.06 0.64 -0.21 0.95 -0.10 0.00 0.00 175.22 176.55 3f8m s THR 232 N -1.16 1.76 -0.13 0.64 -4.23 -0.76 -4.91 115.64 106.84 3f8m s THR 232 Ca 0.24 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 3f8m s THR 232 Cb -0.15 -1.58 0.06 0.00 1.34 0.00 0.00 72.50 72.17 3f8m s THR 232 CO 0.13 0.02 0.28 0.00 -0.54 0.00 0.00 174.62 174.50 3f8m s ALA 233 N -1.07 -0.65 -0.28 3.99 0.00 -1.26 -0.89 121.76 121.60 3f8m s ALA 233 Ca 0.07 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 3f8m s ALA 233 Cb -0.10 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.18 3f8m s ALA 233 CO 0.04 -0.43 -0.01 0.08 0.00 0.00 0.00 175.76 175.44 3f8m s VAL 234 N 1.87 3.13 0.05 0.00 1.01 -1.26 -5.09 120.40 120.11 3f8m s VAL 234 Ca -0.04 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 60.90 3f8m s VAL 234 Cb -0.11 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3f8m s VAL 234 CO -0.09 0.04 -0.20 -0.04 0.00 0.00 0.00 175.10 174.81 3f8m s MET 235 N 1.33 1.95 0.03 2.72 1.00 -1.26 -5.14 119.30 119.93 3f8m s MET 235 Ca -0.02 -1.05 0.09 0.00 0.00 0.00 0.00 55.69 54.71 3f8m s MET 235 Cb -0.18 -2.12 -0.03 0.00 0.00 0.00 0.00 34.83 32.50 3f8m s MET 235 CO -0.02 0.52 -0.25 -1.01 0.00 0.00 0.00 175.02 174.27 3f8m s HIS 236 N -0.92 2.21 0.04 -0.03 3.76 -1.26 -5.06 115.29 114.04 3f8m s HIS 236 Ca 0.14 -0.41 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 3f8m s HIS 236 Cb -0.10 -1.35 -0.17 0.00 1.11 0.00 0.00 32.58 32.07 3f8m s HIS 236 CO 0.05 0.08 1.47 0.00 -0.85 0.00 0.00 174.74 175.50 3f8m h ALA 237 N 4.96 -0.45 0.00 -1.40 0.00 -2.08 -3.58 119.26 116.71 3f8m h ALA 237 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3f8m h ALA 237 Cb 1.14 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3f8m h ALA 237 CO 0.44 -0.67 0.00 0.36 0.00 0.00 0.00 179.25 179.38