#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j45 n PHE 2 N 0.00 -2.36 -0.28 1.12 3.72 -1.26 -4.61 117.46 113.80 2j45 n PHE 2 Ca 0.00 0.80 0.00 0.00 -0.05 0.00 0.00 57.45 58.21 2j45 n PHE 2 Cb 0.00 -4.09 0.13 0.00 -0.94 0.00 0.00 39.48 34.58 2j45 n PHE 2 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2j45 h GLN 3 N -1.27 0.79 0.29 -1.08 -0.00 -1.90 0.12 115.11 112.06 2j45 h GLN 3 Ca -0.62 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 57.97 2j45 h GLN 3 Cb 1.32 -0.18 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2j45 h GLN 3 CO 0.45 0.53 -0.14 0.37 -0.00 0.00 0.00 178.83 180.04 2j45 h GLN 4 N 0.82 -0.38 -0.39 0.06 4.15 -1.90 -2.39 115.11 115.08 2j45 h GLN 4 Ca 0.35 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.80 2j45 h GLN 4 Cb 0.22 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2j45 h GLN 4 CO -0.20 -0.16 0.26 1.25 -1.93 0.00 0.00 178.83 178.05 2j45 h LEU 5 N -0.53 0.45 -0.56 -2.39 5.85 -1.68 -2.77 115.31 113.68 2j45 h LEU 5 Ca -0.04 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.78 2j45 h LEU 5 Cb 0.39 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2j45 h LEU 5 CO 0.07 0.32 0.08 0.28 -0.34 0.00 0.00 178.44 178.85 2j45 h SER 6 N 0.53 -0.08 -0.27 1.25 0.02 -0.75 -2.16 113.55 112.10 2j45 h SER 6 Ca 0.15 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2j45 h SER 6 Cb -0.06 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2j45 h SER 6 CO -0.04 -0.02 0.04 0.00 -1.14 0.00 0.00 176.83 175.67 2j45 h ALA 7 N 1.46 0.36 -0.16 3.77 0.00 -1.16 -2.13 119.26 121.40 2j45 h ALA 7 Ca 0.29 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2j45 h ALA 7 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2j45 h ALA 7 CO -0.41 0.05 -0.55 0.00 0.00 0.00 0.00 179.25 178.34 2j45 h ARG 8 N 0.26 0.47 -0.40 0.00 2.47 -1.40 -0.47 114.38 115.30 2j45 h ARG 8 Ca 0.08 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.45 2j45 h ARG 8 Cb 0.34 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 2j45 h ARG 8 CO 0.01 0.90 0.05 -0.07 0.56 0.00 0.00 179.97 181.41 2j45 h LEU 9 N 0.36 0.66 -1.00 3.04 3.38 -1.40 -1.51 115.31 118.84 2j45 h LEU 9 Ca 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2j45 h LEU 9 Cb 1.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2j45 h LEU 9 CO 0.10 0.77 0.35 1.56 0.09 0.00 0.00 178.44 181.31 2j45 h GLN 10 N 0.52 1.07 -0.32 1.13 4.20 -1.19 -1.66 115.11 118.86 2j45 h GLN 10 Ca 0.12 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 2j45 h GLN 10 Cb 0.40 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2j45 h GLN 10 CO 0.01 0.83 -0.43 0.93 -0.67 0.00 0.00 178.83 179.49 2j45 h GLU 11 N 1.06 0.81 -0.62 1.46 5.08 -1.01 0.14 114.58 121.49 2j45 h GLU 11 Ca 0.26 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2j45 h GLU 11 Cb 0.11 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2j45 h GLU 11 CO -0.03 1.08 0.37 0.00 -1.00 0.00 0.00 179.01 179.43 2j45 h ALA 12 N 0.86 0.81 -0.49 3.43 0.00 -0.93 0.20 119.26 123.13 2j45 h ALA 12 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2j45 h ALA 12 Cb 1.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2j45 h ALA 12 CO 0.10 0.11 -0.15 0.82 0.00 0.00 0.00 179.25 180.12 2j45 h ILE 13 N 0.73 1.27 -0.29 0.00 2.04 -1.20 -2.92 117.51 117.14 2j45 h ILE 13 Ca 0.25 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.86 2j45 h ILE 13 Cb 0.05 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2j45 h ILE 13 CO -0.11 0.45 0.20 1.23 0.00 0.00 0.00 178.15 179.92 2j45 h GLY 14 N 0.83 0.18 1.57 5.37 0.00 -0.01 -1.94 103.07 109.08 2j45 h GLY 14 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2j45 h GLY 14 CO 0.06 0.05 0.16 3.21 0.00 0.00 0.00 176.54 180.01 2j45 h ARG 15 N 0.15 0.56 0.00 4.80 3.08 -0.78 -2.16 114.38 120.03 2j45 h ARG 15 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2j45 h ARG 15 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2j45 h ARG 15 CO -0.02 0.46 0.00 1.28 -1.07 0.00 0.00 179.97 180.62 2j45 n LEU 16 N -4.38 0.38 -4.77 3.04 4.77 -0.73 -4.82 117.00 110.48 2j45 n LEU 16 Ca 0.03 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.19 2j45 n LEU 16 Cb 0.14 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2j45 n LEU 16 CO 0.37 -0.23 0.71 -0.60 -1.33 0.00 0.00 177.39 176.31 2j45 s ARG 17 N -3.10 4.46 -0.02 3.23 3.52 -0.81 -3.60 118.95 122.62 2j45 s ARG 17 Ca 0.09 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 2j45 s ARG 17 Cb 0.13 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2j45 s ARG 17 CO 0.46 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.49 2j45 n GLY 18 N 0.66 0.39 0.00 8.12 0.00 -1.26 -4.91 105.19 108.19 2j45 n GLY 18 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 45.00 2j45 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j45 n ARG 19 N -2.62 1.81 0.00 1.61 1.74 -1.24 -5.11 116.66 112.85 2j45 n ARG 19 Ca -0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2j45 n ARG 19 Cb 0.10 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2j45 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j45 n GLY 20 N 2.04 0.71 3.75 -0.13 0.00 -1.26 -4.78 105.19 105.53 2j45 n GLY 20 Ca -0.00 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 2j45 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j45 s ARG 21 N 0.00 4.64 0.24 1.61 0.52 -1.26 -4.44 118.95 120.26 2j45 s ARG 21 Ca 0.00 1.76 0.05 0.00 -0.52 0.00 0.00 55.73 57.02 2j45 s ARG 21 Cb 0.00 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 2j45 s ARG 21 CO 0.00 0.19 0.33 0.96 0.02 0.00 0.00 175.30 176.80 2j45 s ILE 22 N -0.88 5.14 0.49 1.52 -4.36 -1.26 -5.10 121.20 116.76 2j45 s ILE 22 Ca 0.46 -1.03 0.06 0.00 -0.26 0.00 0.00 60.65 59.87 2j45 s ILE 22 Cb -0.31 -3.79 0.04 0.00 1.25 0.00 0.00 42.46 39.65 2j45 s ILE 22 CO 0.38 -0.32 0.68 0.42 0.24 0.00 0.00 174.94 176.35 2j45 s THR 23 N -1.99 2.73 0.24 8.37 -4.23 -1.26 -4.93 115.64 114.57 2j45 s THR 23 Ca 0.34 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 2j45 s THR 23 Cb -0.09 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.15 2j45 s THR 23 CO 0.28 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.19 2j45 h GLU 24 N 0.36 1.20 -0.32 3.99 4.81 -1.99 -0.58 114.58 122.05 2j45 h GLU 24 Ca -0.39 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 2j45 h GLU 24 Cb 1.28 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2j45 h GLU 24 CO 0.46 0.80 -0.16 0.93 -0.73 0.00 0.00 179.01 180.30 2j45 h GLU 25 N 1.24 0.57 -0.74 1.92 4.39 -1.99 -0.78 114.58 119.19 2j45 h GLU 25 Ca 0.36 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 2j45 h GLU 25 Cb -0.08 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2j45 h GLU 25 CO -0.09 0.71 0.22 -0.44 -1.16 0.00 0.00 179.01 178.25 2j45 h ASP 26 N 0.52 1.08 0.24 1.42 3.45 -1.67 -1.41 116.42 120.05 2j45 h ASP 26 Ca 0.09 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 2j45 h ASP 26 Cb 0.58 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2j45 h ASP 26 CO 0.04 1.01 -0.11 0.25 -1.57 0.00 0.00 179.24 178.85 2j45 h LEU 27 N 1.10 -0.27 -1.29 1.55 5.85 -0.80 -0.74 115.31 120.72 2j45 h LEU 27 Ca 0.24 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2j45 h LEU 27 Cb 0.32 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2j45 h LEU 27 CO -0.01 -0.07 -0.32 0.11 -0.34 0.00 0.00 178.44 177.82 2j45 h LYS 28 N -0.46 0.00 -0.42 1.25 1.57 -1.12 0.29 116.57 117.68 2j45 h LYS 28 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2j45 h LYS 28 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2j45 h LYS 28 CO 0.05 0.32 0.22 0.00 -0.57 0.00 0.00 179.45 179.47 2j45 h ALA 29 N 1.68 0.54 -0.45 3.86 0.00 -1.10 0.20 119.26 123.99 2j45 h ALA 29 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2j45 h ALA 29 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2j45 h ALA 29 CO 0.04 0.08 0.28 1.15 0.00 0.00 0.00 179.25 180.80 2j45 h THR 30 N 0.54 1.08 -0.71 0.00 2.02 0.96 -1.72 112.91 115.08 2j45 h THR 30 Ca 0.15 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2j45 h THR 30 Cb 0.08 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2j45 h THR 30 CO -0.02 0.10 0.45 -0.07 0.37 0.00 0.00 175.52 176.35 2j45 h LEU 31 N 0.57 0.84 -1.01 2.58 3.38 -0.31 -0.36 115.31 120.99 2j45 h LEU 31 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2j45 h LEU 31 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2j45 h LEU 31 CO -0.06 0.64 0.33 0.03 0.09 0.00 0.00 178.44 179.47 2j45 h ARG 32 N 0.97 1.03 -0.39 1.13 3.08 -0.29 -0.90 114.38 119.00 2j45 h ARG 32 Ca 0.26 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 2j45 h ARG 32 Cb -0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 2j45 h ARG 32 CO -0.05 0.81 -0.26 1.49 -1.07 0.00 0.00 179.97 180.89 2j45 h GLU 33 N 1.02 0.82 -0.59 0.04 4.57 -0.81 0.47 114.58 120.09 2j45 h GLU 33 Ca 0.25 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2j45 h GLU 33 Cb 0.13 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2j45 h GLU 33 CO -0.03 0.98 0.39 0.82 -1.18 0.00 0.00 179.01 179.99 2j45 h ILE 34 N 0.70 1.15 -0.58 2.32 2.04 -0.69 0.17 117.51 122.62 2j45 h ILE 34 Ca 0.09 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2j45 h ILE 34 Cb 0.79 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2j45 h ILE 34 CO 0.07 0.15 0.36 -0.09 0.00 0.00 0.00 178.15 178.64 2j45 h ARG 35 N 0.80 0.78 -0.73 2.37 2.43 -0.83 -1.12 114.38 118.08 2j45 h ARG 35 Ca 0.22 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2j45 h ARG 35 Cb -0.09 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.24 2j45 h ARG 35 CO -0.05 0.55 0.43 -0.09 -1.51 0.00 0.00 179.97 179.30 2j45 h ARG 36 N 0.78 0.78 -0.34 0.20 2.43 -0.58 -0.41 114.38 117.24 2j45 h ARG 36 Ca 0.21 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2j45 h ARG 36 Cb -0.04 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2j45 h ARG 36 CO -0.04 0.51 0.02 0.00 -1.51 0.00 0.00 179.97 178.96 2j45 h ALA 37 N 1.35 0.46 -0.43 2.80 0.00 -0.46 -1.69 119.26 121.30 2j45 h ALA 37 Ca 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2j45 h ALA 37 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2j45 h ALA 37 CO -0.16 0.20 0.14 -0.07 0.00 0.00 0.00 179.25 179.36 2j45 h LEU 38 N 0.41 0.61 -1.16 0.00 3.38 -0.88 -2.24 115.31 115.43 2j45 h LEU 38 Ca 0.10 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2j45 h LEU 38 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2j45 h LEU 38 CO 0.01 0.64 0.16 0.24 0.09 0.00 0.00 178.44 179.59 2j45 h MET 39 N 0.55 0.75 0.00 1.13 2.86 -0.98 -1.03 114.93 118.20 2j45 h MET 39 Ca 0.14 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2j45 h MET 39 Cb 0.24 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2j45 h MET 39 CO -0.01 0.65 -0.01 -0.44 1.06 0.00 0.00 176.91 178.16 2j45 h ASP 40 N 0.73 0.00 -0.30 1.22 3.32 -1.13 -2.24 116.42 118.01 2j45 h ASP 40 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2j45 h ASP 40 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2j45 h ASP 40 CO -0.01 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2j45 n ALA 41 N -2.10 2.77 -1.91 3.45 0.00 -0.41 -4.94 120.51 117.38 2j45 n ALA 41 Ca -0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 53.44 52.67 2j45 n ALA 41 Cb 0.27 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 2j45 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2j45 n ASP 42 N 0.39 -2.46 -4.84 0.00 2.03 -0.84 -0.24 116.55 110.59 2j45 n ASP 42 Ca 0.12 0.02 -0.37 0.00 0.52 0.00 0.00 54.79 55.08 2j45 n ASP 42 Cb 0.47 -1.55 -0.06 0.00 -0.72 0.00 0.00 41.12 39.25 2j45 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2j45 s VAL 43 N -2.24 5.43 0.88 5.18 1.01 -1.12 -4.30 120.40 125.24 2j45 s VAL 43 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 2j45 s VAL 43 Cb 0.00 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 33.04 2j45 s VAL 43 CO 0.00 0.57 1.09 0.54 0.00 0.00 0.00 175.10 177.30 2j45 s ASN 44 N -0.67 3.66 0.15 3.32 2.20 -1.26 -4.14 114.94 118.20 2j45 s ASN 44 Ca 0.15 1.45 -0.17 0.00 -0.94 0.00 0.00 52.86 53.35 2j45 s ASN 44 Cb -0.12 -2.14 0.03 0.00 -2.00 0.00 0.00 41.25 37.02 2j45 s ASN 44 CO 0.04 -2.52 1.77 0.25 -2.94 0.00 0.00 177.10 173.70 2j45 h LEU 45 N -1.47 0.22 -0.30 3.54 5.85 -1.99 -1.32 115.31 119.85 2j45 h LEU 45 Ca -0.49 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2j45 h LEU 45 Cb 1.28 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2j45 h LEU 45 CO 0.55 0.17 0.15 -0.08 -0.34 0.00 0.00 178.44 178.89 2j45 h GLU 46 N 0.33 0.43 -0.67 1.25 4.81 -1.99 0.89 114.58 119.64 2j45 h GLU 46 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2j45 h GLU 46 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2j45 h GLU 46 CO -0.11 0.40 0.42 0.28 -0.73 0.00 0.00 179.01 179.27 2j45 h VAL 47 N 0.36 1.18 -0.51 0.32 2.07 -1.89 -0.18 116.25 117.60 2j45 h VAL 47 Ca 0.10 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2j45 h VAL 47 Cb 0.11 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2j45 h VAL 47 CO -0.01 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 2j45 h ALA 48 N 1.22 0.69 -0.68 1.67 0.00 -0.99 -1.03 119.26 120.13 2j45 h ALA 48 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2j45 h ALA 48 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2j45 h ALA 48 CO -0.05 0.54 0.31 0.00 0.00 0.00 0.00 179.25 180.05 2j45 h ARG 49 N 0.79 1.00 -0.78 0.00 3.08 -0.58 -1.90 114.38 115.98 2j45 h ARG 49 Ca 0.14 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2j45 h ARG 49 Cb 0.58 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2j45 h ARG 49 CO 0.03 0.80 0.31 -0.44 -1.07 0.00 0.00 179.97 179.61 2j45 h ASP 50 N 0.96 1.08 0.20 7.04 3.32 -0.83 -0.81 116.42 127.37 2j45 h ASP 50 Ca 0.23 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2j45 h ASP 50 Cb 0.15 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2j45 h ASP 50 CO -0.03 0.96 -0.10 0.15 -1.72 0.00 0.00 179.24 178.50 2j45 h PHE 51 N 1.14 -0.27 0.00 4.55 3.04 -0.88 -1.37 116.94 123.15 2j45 h PHE 51 Ca 0.26 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 2j45 h PHE 51 Cb 0.22 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 2j45 h PHE 51 CO 0.02 -0.17 -0.08 -0.39 -2.02 0.00 0.00 178.31 175.67 2j45 h VAL 52 N -0.28 0.18 -0.48 1.41 -1.51 -1.25 -1.50 116.25 112.82 2j45 h VAL 52 Ca -0.02 -0.84 -0.13 0.00 -1.23 0.00 0.00 66.70 64.48 2j45 h VAL 52 Cb 0.22 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 2j45 h VAL 52 CO 0.03 0.08 -0.19 -0.08 -1.23 0.00 0.00 177.57 176.18 2j45 h GLU 53 N 0.00 0.97 -0.27 5.19 4.57 -0.96 -0.49 114.58 123.59 2j45 h GLU 53 Ca -0.00 -0.40 -0.13 0.00 -1.18 0.00 0.00 59.36 57.65 2j45 h GLU 53 Cb 0.71 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2j45 h GLU 53 CO 0.01 1.07 -0.39 -0.09 -1.18 0.00 0.00 179.01 178.43 2j45 h ARG 54 N 0.84 0.62 -0.20 1.92 2.43 -0.78 -1.16 114.38 118.05 2j45 h ARG 54 Ca 0.12 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2j45 h ARG 54 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2j45 h ARG 54 CO 0.06 0.91 0.03 0.28 -1.51 0.00 0.00 179.97 179.74 2j45 h VAL 55 N 0.52 1.22 -0.10 0.20 2.07 -1.26 -1.71 116.25 117.19 2j45 h VAL 55 Ca 0.05 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.88 2j45 h VAL 55 Cb 0.90 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2j45 h VAL 55 CO 0.08 0.22 -0.19 -0.09 0.02 0.00 0.00 177.57 177.61 2j45 h ARG 56 N 0.12 -0.24 -0.14 1.57 2.43 -0.89 0.96 114.38 118.19 2j45 h ARG 56 Ca 0.06 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2j45 h ARG 56 Cb 0.31 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2j45 h ARG 56 CO 0.00 -0.16 0.07 0.93 -1.51 0.00 0.00 179.97 179.30 2j45 h GLU 57 N -0.25 0.15 -0.20 0.20 5.08 -1.20 -1.43 114.58 116.93 2j45 h GLU 57 Ca 0.09 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2j45 h GLU 57 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2j45 h GLU 57 CO -0.25 0.10 -0.49 0.93 -1.00 0.00 0.00 179.01 178.29 2j45 h GLU 58 N 0.15 0.53 -0.22 2.33 4.39 -1.10 -1.33 114.58 119.32 2j45 h GLU 58 Ca 0.06 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 2j45 h GLU 58 Cb 0.01 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2j45 h GLU 58 CO -0.04 0.90 0.03 0.00 -1.16 0.00 0.00 179.01 178.74 2j45 h ALA 59 N 1.05 0.30 0.00 3.43 0.00 -0.69 -0.18 119.26 123.16 2j45 h ALA 59 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2j45 h ALA 59 Cb 1.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2j45 h ALA 59 CO 0.09 -0.02 -0.18 -0.07 0.00 0.00 0.00 179.25 179.08 2j45 h LEU 60 N 0.17 0.00 -0.48 0.00 3.38 -1.19 0.15 115.31 117.34 2j45 h LEU 60 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2j45 h LEU 60 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2j45 h LEU 60 CO 0.01 0.18 -0.72 1.23 0.09 0.00 0.00 178.44 179.22 2j45 h GLY 61 N 1.28 0.00 -2.53 0.83 0.00 -0.85 -3.13 103.07 98.67 2j45 h GLY 61 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2j45 h GLY 61 CO 0.02 0.00 0.02 0.28 0.00 0.00 0.00 176.54 176.87 2j45 n LYS 62 N -3.59 3.18 -3.50 4.80 5.02 -0.11 -4.90 118.16 119.06 2j45 n LYS 62 Ca -0.00 -1.83 -0.22 0.00 -2.02 0.00 0.00 58.31 54.24 2j45 n LYS 62 Cb 0.72 -1.93 0.08 0.00 -0.02 0.00 0.00 35.03 33.88 2j45 n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2j45 n GLN 63 N 0.31 -7.32 -0.01 1.97 6.02 -1.02 -4.89 117.38 112.45 2j45 n GLN 63 Ca 0.17 0.78 0.11 0.00 -0.01 0.00 0.00 57.00 58.05 2j45 n GLN 63 Cb 0.83 -5.66 0.53 0.00 1.02 0.00 0.00 30.24 26.95 2j45 n GLN 63 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2j45 h VAL 64 N -2.44 0.93 -0.00 5.09 3.04 -0.93 -0.30 116.25 121.62 2j45 h VAL 64 Ca -0.53 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 2j45 h VAL 64 Cb 1.34 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2j45 h VAL 64 CO 0.52 0.06 -0.02 0.18 -1.01 0.00 0.00 177.57 177.29 2j45 n LEU 65 N -4.47 0.51 -0.02 3.16 4.77 -1.26 -3.09 117.00 116.60 2j45 n LEU 65 Ca 0.07 -0.13 0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2j45 n LEU 65 Cb 0.31 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2j45 n LEU 65 CO 0.35 0.09 -0.73 -0.62 -1.33 0.00 0.00 177.39 175.14 2j45 n GLU 66 N -0.67 0.90 -1.95 3.23 -0.58 -0.22 -4.93 120.64 116.41 2j45 n GLU 66 Ca 0.20 -0.09 -0.38 0.00 -0.42 0.00 0.00 57.16 56.48 2j45 n GLU 66 Cb 0.22 -1.31 0.02 0.00 -0.57 0.00 0.00 31.44 29.79 2j45 n GLU 66 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2j45 s SER 67 N -3.83 5.66 0.00 1.62 0.15 -0.65 -4.97 113.70 111.69 2j45 s SER 67 Ca -0.05 2.62 0.27 0.00 0.70 0.00 0.00 55.95 59.49 2j45 s SER 67 Cb 0.07 -2.63 0.85 0.00 -1.71 0.00 0.00 66.02 62.61 2j45 s SER 67 CO 0.54 -1.29 1.64 0.18 1.20 0.00 0.00 173.24 175.50 2j45 n LEU 68 N -0.73 0.51 -3.12 3.45 7.99 -1.26 -4.30 117.00 119.54 2j45 n LEU 68 Ca 0.09 0.04 -0.23 0.00 -0.01 0.00 0.00 56.01 55.89 2j45 n LEU 68 Cb 0.46 -0.25 -0.04 0.00 -0.11 0.00 0.00 43.42 43.47 2j45 n LEU 68 CO 0.52 0.11 -0.06 0.35 -1.51 0.00 0.00 177.39 176.79 2j45 n THR 69 N -1.20 1.27 0.28 -5.08 -2.24 -1.26 -4.15 114.28 101.89 2j45 n THR 69 Ca 0.09 -4.97 0.12 0.00 -2.27 0.00 0.00 64.05 57.02 2j45 n THR 69 Cb 0.32 -1.08 0.78 0.00 -2.10 0.00 0.00 70.33 68.26 2j45 n THR 69 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2j45 h PRO 70 N 3.23 0.00 -0.86 -0.78 0.13 -1.78 -0.77 132.00 131.17 2j45 h PRO 70 Ca 0.12 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.36 2j45 h PRO 70 Cb 0.75 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.82 2j45 h PRO 70 CO 0.65 0.03 0.55 0.00 -0.23 0.00 0.00 178.00 179.01 2j45 h ALA 71 N 1.97 1.76 -0.19 -0.56 0.00 -1.86 -0.66 119.26 119.71 2j45 h ALA 71 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2j45 h ALA 71 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2j45 h ALA 71 CO 0.00 0.04 -0.52 0.93 0.00 0.00 0.00 179.25 179.70 2j45 h GLU 72 N 0.75 0.56 -0.41 0.00 4.39 -1.51 -0.05 114.58 118.32 2j45 h GLU 72 Ca 0.41 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2j45 h GLU 72 Cb 0.54 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2j45 h GLU 72 CO -0.17 0.94 0.09 0.28 -1.16 0.00 0.00 179.01 178.99 2j45 h VAL 73 N 0.43 1.23 -0.62 3.13 2.07 -1.34 -1.54 116.25 119.62 2j45 h VAL 73 Ca 0.01 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 2j45 h VAL 73 Cb 1.06 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2j45 h VAL 73 CO 0.10 0.28 0.20 0.40 0.02 0.00 0.00 177.57 178.57 2j45 h ILE 74 N 0.52 1.24 -0.31 4.57 1.08 -1.05 -1.47 117.51 122.09 2j45 h ILE 74 Ca 0.13 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.83 2j45 h ILE 74 Cb 0.33 0.61 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 2j45 h ILE 74 CO 0.00 0.32 -0.05 0.25 -0.69 0.00 0.00 178.15 177.98 2j45 h LEU 75 N 0.88 -0.24 -0.68 1.44 5.85 -0.84 0.29 115.31 122.02 2j45 h LEU 75 Ca 0.20 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2j45 h LEU 75 Cb 0.28 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2j45 h LEU 75 CO -0.01 -0.08 0.21 0.00 -0.34 0.00 0.00 178.44 178.22 2j45 h ALA 76 N 1.30 0.89 0.00 1.25 0.00 -0.99 0.05 119.26 121.75 2j45 h ALA 76 Ca 0.15 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2j45 h ALA 76 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2j45 h ALA 76 CO -0.30 0.56 -0.70 1.79 0.00 0.00 0.00 179.25 180.60 2j45 h THR 77 N 0.99 1.45 -0.04 0.00 1.35 -0.96 -2.12 112.91 113.57 2j45 h THR 77 Ca 0.22 -2.45 -0.04 0.00 -0.55 0.00 0.00 66.41 63.59 2j45 h THR 77 Cb 0.30 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2j45 h THR 77 CO -0.01 0.69 -0.14 0.58 -0.25 0.00 0.00 175.52 176.39 2j45 h VAL 78 N 0.00 1.45 -0.67 6.82 2.07 -0.79 -2.01 116.25 123.14 2j45 h VAL 78 Ca -0.01 -1.56 0.06 0.00 0.82 0.00 0.00 66.70 66.02 2j45 h VAL 78 Cb 1.28 2.37 -0.08 0.00 -1.52 0.00 0.00 31.29 33.34 2j45 h VAL 78 CO 0.09 0.43 -0.39 0.00 0.02 0.00 0.00 177.57 177.72 2j45 n TYR 79 N -4.62 -0.29 -0.00 1.57 9.36 -0.01 -0.35 117.16 122.81 2j45 n TYR 79 Ca -0.08 0.83 -0.03 0.00 3.32 0.00 0.00 57.90 61.94 2j45 n TYR 79 Cb 0.39 -0.54 0.21 0.00 -0.63 0.00 0.00 39.34 38.77 2j45 n TYR 79 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2j45 h GLU 80 N 0.00 0.53 -0.36 2.98 4.39 -1.39 -0.51 114.58 120.21 2j45 h GLU 80 Ca 0.11 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 2j45 h GLU 80 Cb 0.27 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2j45 h GLU 80 CO -0.63 0.69 -0.09 0.00 -1.16 0.00 0.00 179.01 177.83 2j45 h ALA 81 N 1.32 0.50 -0.23 3.43 0.00 -0.73 -0.37 119.26 123.18 2j45 h ALA 81 Ca 0.08 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2j45 h ALA 81 Cb 0.60 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2j45 h ALA 81 CO 0.04 0.36 -0.06 -0.07 0.00 0.00 0.00 179.25 179.52 2j45 h LEU 82 N 0.50 -0.22 -0.07 0.00 3.38 -0.33 0.96 115.31 119.53 2j45 h LEU 82 Ca 0.09 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2j45 h LEU 82 Cb 0.60 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2j45 h LEU 82 CO 0.04 -0.08 -0.03 0.50 0.09 0.00 0.00 178.44 178.96 2j45 h LYS 83 N -0.00 -0.03 -0.30 1.13 3.64 -0.99 -0.76 116.57 119.26 2j45 h LYS 83 Ca 0.11 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2j45 h LYS 83 Cb 0.17 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 2j45 h LYS 83 CO -0.24 -0.02 -0.32 1.49 -2.27 0.00 0.00 179.45 178.09 2j45 h GLU 84 N -0.03 -0.29 -0.75 1.90 4.81 -0.77 -0.62 114.58 118.83 2j45 h GLU 84 Ca 0.04 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2j45 h GLU 84 Cb 0.09 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 2j45 h GLU 84 CO -0.09 -0.19 0.49 0.00 -0.73 0.00 0.00 179.01 178.49 2j45 h ALA 85 N 0.63 1.81 0.00 2.92 0.00 -0.40 -2.05 119.26 122.18 2j45 h ALA 85 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2j45 h ALA 85 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2j45 h ALA 85 CO -0.47 0.03 -0.04 -0.07 0.00 0.00 0.00 179.25 178.70 2j45 h LEU 86 N 0.66 0.00 0.00 0.00 3.38 -0.56 -3.38 115.31 115.41 2j45 h LEU 86 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2j45 h LEU 86 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2j45 h LEU 86 CO -0.12 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.02 2j45 n GLY 87 N 1.28 0.47 2.40 0.83 0.00 -0.67 -4.74 105.19 104.77 2j45 n GLY 87 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2j45 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j45 n GLY 88 N 0.00 2.05 3.12 -0.02 0.00 -0.33 -4.78 105.19 105.23 2j45 n GLY 88 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2j45 n GLY 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j45 s GLU 89 N 0.00 0.69 0.18 1.61 -1.05 -1.26 -4.66 118.70 114.21 2j45 s GLU 89 Ca 0.00 -1.14 -0.32 0.00 -0.15 0.00 0.00 54.97 53.37 2j45 s GLU 89 Cb 0.00 -0.13 -0.11 0.00 -0.44 0.00 0.00 34.13 33.46 2j45 s GLU 89 CO 0.00 -0.02 1.62 0.00 0.95 0.00 0.00 175.26 177.81 2j45 s ALA 90 N -3.04 3.83 0.21 -0.84 0.00 -1.26 -4.78 121.76 115.88 2j45 s ALA 90 Ca 0.04 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.50 2j45 s ALA 90 Cb 0.01 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2j45 s ALA 90 CO -0.04 -0.83 -0.06 1.03 0.00 0.00 0.00 175.76 175.85 2j45 s ARG 91 N 1.09 1.28 0.05 0.00 0.52 -1.26 -5.08 118.95 115.55 2j45 s ARG 91 Ca 0.71 -1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 2j45 s ARG 91 Cb -0.46 -0.77 0.01 0.00 0.52 0.00 0.00 34.95 34.26 2j45 s ARG 91 CO 0.32 0.02 0.26 -0.51 0.02 0.00 0.00 175.30 175.40 2j45 s LEU 92 N -3.28 1.09 0.99 2.53 1.43 -1.26 -4.49 118.68 115.68 2j45 s LEU 92 Ca 0.24 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2j45 s LEU 92 Cb 0.03 1.20 0.18 0.00 0.03 0.00 0.00 46.19 47.63 2j45 s LEU 92 CO 0.06 -0.61 1.08 -0.81 0.23 0.00 0.00 176.35 176.30 2j45 n PRO 93 N 0.52 -0.96 -2.95 1.29 -0.04 -1.26 -4.88 135.00 126.72 2j45 n PRO 93 Ca -0.18 -0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 62.62 2j45 n PRO 93 Cb 0.60 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 2j45 n PRO 93 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2j45 s VAL 94 N -2.57 4.57 0.25 0.52 1.01 -1.26 -5.00 120.40 117.92 2j45 s VAL 94 Ca 0.67 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 2j45 s VAL 94 Cb -0.23 -4.43 -0.09 0.00 0.00 0.00 0.00 36.38 31.62 2j45 s VAL 94 CO 0.60 -0.96 1.08 -0.76 0.00 0.00 0.00 175.10 175.06 2j45 s LEU 95 N 3.47 4.55 0.00 3.92 2.01 -1.26 -5.01 118.68 126.36 2j45 s LEU 95 Ca 0.26 2.19 0.00 0.00 0.01 0.00 0.00 54.13 56.59 2j45 s LEU 95 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.44 2j45 s LEU 95 CO 0.18 -0.12 0.00 2.29 1.01 0.00 0.00 176.35 179.71 2j45 n LYS 96 N 1.51 0.00 0.10 1.70 2.85 -1.26 -5.08 118.16 117.99 2j45 n LYS 96 Ca -0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.07 2j45 n LYS 96 Cb 0.45 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.72 2j45 n LYS 96 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2j45 h ASP 97 N 0.00 0.64 -3.37 -5.58 3.32 -1.96 -3.42 116.42 106.05 2j45 h ASP 97 Ca 0.00 -0.62 -0.66 0.00 0.02 0.00 0.00 57.03 55.78 2j45 h ASP 97 Cb 0.00 -0.20 -0.28 0.00 0.22 0.00 0.00 39.33 39.07 2j45 h ASP 97 CO 0.00 1.45 -0.73 -0.13 -1.72 0.00 0.00 179.24 178.11 2j45 s ARG 98 N -2.87 3.36 -0.29 3.56 3.00 -1.26 -4.96 118.95 119.48 2j45 s ARG 98 Ca -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 55.73 55.01 2j45 s ARG 98 Cb 0.07 -2.96 0.09 0.00 0.00 0.00 0.00 34.95 32.15 2j45 s ARG 98 CO 0.90 -0.17 0.09 -0.80 0.00 0.00 0.00 175.30 175.32 2j45 s ASN 99 N 1.38 3.85 -0.22 0.23 0.01 -1.26 -4.95 114.94 113.98 2j45 s ASN 99 Ca 0.05 -1.49 0.02 0.00 -0.71 0.00 0.00 52.86 50.72 2j45 s ASN 99 Cb -0.14 -0.81 0.04 0.00 0.41 0.00 0.00 41.25 40.75 2j45 s ASN 99 CO -0.03 -0.40 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.81 2j45 s LEU 100 N 1.67 2.67 -0.05 0.60 0.20 -1.26 -0.39 118.68 122.12 2j45 s LEU 100 Ca 0.08 -1.02 0.06 0.00 0.69 0.00 0.00 54.13 53.93 2j45 s LEU 100 Cb -0.17 -1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 44.18 2j45 s LEU 100 CO -0.23 -0.13 -0.24 0.26 -0.29 0.00 0.00 176.35 175.72 2j45 s TRP 101 N 1.27 2.28 0.15 5.38 0.51 0.39 -0.80 118.94 128.11 2j45 s TRP 101 Ca -0.03 -0.62 -0.17 0.00 -2.12 0.00 0.00 56.10 53.16 2j45 s TRP 101 Cb -0.17 -1.49 -0.07 0.00 -0.81 0.00 0.00 33.47 30.93 2j45 s TRP 101 CO -0.08 -0.17 0.59 -0.06 -0.51 0.00 0.00 176.95 176.72 2j45 s PHE 102 N -0.23 3.67 -0.17 -1.98 0.40 -0.44 -0.66 117.98 118.57 2j45 s PHE 102 Ca -0.01 1.19 -0.07 0.00 -0.60 0.00 0.00 56.93 57.44 2j45 s PHE 102 Cb -0.12 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 2j45 s PHE 102 CO 0.02 0.45 0.06 -0.51 0.70 0.00 0.00 175.22 175.95 2j45 s LEU 103 N -1.75 3.85 0.16 -0.37 2.01 0.41 -0.30 118.68 122.69 2j45 s LEU 103 Ca 0.37 0.12 0.04 0.00 0.01 0.00 0.00 54.13 54.68 2j45 s LEU 103 Cb -0.16 -1.96 -0.05 0.00 0.01 0.00 0.00 46.19 44.03 2j45 s LEU 103 CO 0.20 0.21 -0.09 0.68 1.01 0.00 0.00 176.35 178.36 2j45 s VAL 104 N 0.14 1.18 0.00 -1.59 -7.23 -0.39 -2.21 120.40 110.30 2j45 s VAL 104 Ca 0.05 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2j45 s VAL 104 Cb -0.12 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.89 2j45 s VAL 104 CO 0.00 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 2j45 n GLY 105 N -0.24 0.97 3.84 2.32 0.00 -1.26 -0.88 105.19 109.94 2j45 n GLY 105 Ca -0.09 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 2j45 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j45 s LEU 106 N 0.00 3.51 0.40 0.99 1.43 -1.26 -4.38 118.68 119.37 2j45 s LEU 106 Ca 0.00 1.58 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 2j45 s LEU 106 Cb 0.00 -4.50 0.82 0.00 0.03 0.00 0.00 46.19 42.54 2j45 s LEU 106 CO 0.00 -0.76 2.03 -0.61 0.23 0.00 0.00 176.35 177.24 2j45 h GLN 107 N 0.54 0.60 0.00 1.70 4.15 -1.47 -2.07 115.11 118.56 2j45 h GLN 107 Ca -0.46 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2j45 h GLN 107 Cb 1.19 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.75 2j45 h GLN 107 CO 0.61 0.40 0.00 0.41 -1.93 0.00 0.00 178.83 178.31 2j45 n GLY 108 N -1.47 -0.76 0.05 2.39 0.00 -1.26 -2.84 105.19 101.30 2j45 n GLY 108 Ca 0.05 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2j45 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j45 n SER 109 N -0.80 0.52 -0.23 1.61 3.41 -0.78 -4.75 113.62 112.60 2j45 n SER 109 Ca 0.11 0.37 -0.03 0.00 -0.26 0.00 0.00 58.87 59.06 2j45 n SER 109 Cb 0.05 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 2j45 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j45 n GLY 110 N 1.39 0.57 0.18 5.00 0.00 -1.13 -4.35 105.19 106.85 2j45 n GLY 110 Ca 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 2j45 n GLY 110 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j45 h LYS 111 N 0.00 0.08 -0.29 1.61 3.64 -1.81 -0.00 116.57 119.80 2j45 h LYS 111 Ca -0.06 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2j45 h LYS 111 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2j45 h LYS 111 CO 0.09 0.05 -0.05 1.15 -2.27 0.00 0.00 179.45 178.42 2j45 h THR 112 N 0.08 1.27 -0.26 1.00 2.02 -1.93 -0.50 112.91 114.60 2j45 h THR 112 Ca 0.21 -1.05 -0.07 0.00 0.77 0.00 0.00 66.41 66.27 2j45 h THR 112 Cb 0.31 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2j45 h THR 112 CO -0.37 0.34 -0.16 0.74 0.37 0.00 0.00 175.52 176.43 2j45 h THR 113 N 0.32 1.23 -0.78 3.16 2.02 -1.95 -2.48 112.91 114.43 2j45 h THR 113 Ca 0.08 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 2j45 h THR 113 Cb 0.51 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2j45 h THR 113 CO 0.02 0.33 0.40 0.74 0.37 0.00 0.00 175.52 177.39 2j45 h THR 114 N 0.41 1.24 -0.57 3.16 2.02 -0.68 -1.44 112.91 117.04 2j45 h THR 114 Ca 0.07 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.66 2j45 h THR 114 Cb 0.51 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 2j45 h THR 114 CO 0.03 0.28 0.32 0.00 0.37 0.00 0.00 175.52 176.52 2j45 h ALA 115 N 1.21 0.75 -0.48 6.16 0.00 -0.64 0.17 119.26 126.43 2j45 h ALA 115 Ca 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2j45 h ALA 115 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2j45 h ALA 115 CO -0.04 -0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.22 2j45 h ALA 116 N 1.29 0.64 -0.28 0.00 0.00 -1.26 -1.12 119.26 118.54 2j45 h ALA 116 Ca 0.25 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2j45 h ALA 116 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2j45 h ALA 116 CO -0.15 0.43 -0.16 0.87 0.00 0.00 0.00 179.25 180.24 2j45 h LYS 117 N 0.69 0.48 -0.33 0.00 1.57 -0.81 -1.18 116.57 116.99 2j45 h LYS 117 Ca 0.14 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2j45 h LYS 117 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2j45 h LYS 117 CO 0.02 0.64 -0.35 1.25 -0.57 0.00 0.00 179.45 180.43 2j45 h LEU 118 N 0.44 0.79 -0.48 2.94 5.85 -0.46 -0.05 115.31 124.34 2j45 h LEU 118 Ca 0.08 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2j45 h LEU 118 Cb 0.54 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2j45 h LEU 118 CO 0.04 1.06 0.16 0.00 -0.34 0.00 0.00 178.44 179.36 2j45 h ALA 119 N 0.98 0.63 -0.01 1.25 0.00 -0.89 -1.88 119.26 119.35 2j45 h ALA 119 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2j45 h ALA 119 Cb 0.89 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2j45 h ALA 119 CO 0.08 0.28 0.00 1.25 0.00 0.00 0.00 179.25 180.86 2j45 h LEU 120 N 0.65 0.01 -0.43 0.00 5.85 -0.99 0.52 115.31 120.92 2j45 h LEU 120 Ca 0.16 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2j45 h LEU 120 Cb 0.25 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2j45 h LEU 120 CO -0.01 0.14 -0.21 0.22 -0.34 0.00 0.00 178.44 178.24 2j45 h TYR 121 N -0.12 -0.54 -0.16 1.25 3.20 -0.96 -1.56 116.97 118.08 2j45 h TYR 121 Ca 0.00 0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 2j45 h TYR 121 Cb 0.13 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2j45 h TYR 121 CO -0.03 -0.29 -0.49 1.88 -1.64 0.00 0.00 178.16 177.59 2j45 h TYR 122 N -0.13 0.53 -0.62 -3.82 0.05 -1.16 -2.65 116.97 109.17 2j45 h TYR 122 Ca 0.20 -0.17 0.05 0.00 0.05 0.00 0.00 58.73 58.86 2j45 h TYR 122 Cb 0.45 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 2j45 h TYR 122 CO -0.46 0.84 0.34 -0.22 -1.05 0.00 0.00 178.16 177.61 2j45 h LYS 123 N 0.35 0.63 0.00 4.88 3.64 -0.70 -0.46 116.57 124.90 2j45 h LYS 123 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2j45 h LYS 123 Cb 0.98 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2j45 h LYS 123 CO 0.09 0.41 0.00 0.41 -2.27 0.00 0.00 179.45 178.09 2j45 n GLY 124 N -1.27 -0.84 0.87 5.01 0.00 -0.60 -2.61 105.19 105.74 2j45 n GLY 124 Ca 0.07 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.21 2j45 n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j45 n LYS 125 N -1.80 3.02 -0.30 1.61 4.76 -0.22 -4.99 118.16 120.25 2j45 n LYS 125 Ca 0.01 -2.54 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 2j45 n LYS 125 Cb 0.09 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 2j45 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2j45 n GLY 126 N 0.07 0.73 3.92 0.72 0.00 -1.04 -5.05 105.19 104.53 2j45 n GLY 126 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2j45 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j45 s ARG 127 N -0.70 2.63 -0.65 1.61 1.81 -0.96 -5.02 118.95 117.67 2j45 s ARG 127 Ca 0.00 -0.03 0.04 0.00 -1.72 0.00 0.00 55.73 54.02 2j45 s ARG 127 Cb 0.00 -2.20 0.16 0.00 -0.45 0.00 0.00 34.95 32.46 2j45 s ARG 127 CO 0.00 -0.95 0.42 1.03 -0.68 0.00 0.00 175.30 175.12 2j45 s ARG 128 N -5.14 2.32 0.62 3.54 0.52 -1.26 -4.36 118.95 115.19 2j45 s ARG 128 Ca 0.57 -3.10 -0.08 0.00 -0.52 0.00 0.00 55.73 52.59 2j45 s ARG 128 Cb -0.11 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.96 2j45 s ARG 128 CO 0.46 -1.23 0.97 -1.25 0.02 0.00 0.00 175.30 174.27 2j45 s PRO 129 N -1.06 3.01 -0.05 3.54 0.04 -1.26 0.20 135.00 139.42 2j45 s PRO 129 Ca 0.22 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.49 2j45 s PRO 129 Cb -0.12 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2j45 s PRO 129 CO -0.11 -0.76 0.00 -1.17 0.04 0.00 0.00 177.00 175.00 2j45 s LEU 130 N -5.11 0.83 0.11 -3.56 2.96 0.34 -4.40 118.68 109.85 2j45 s LEU 130 Ca 0.55 -0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 54.21 2j45 s LEU 130 Cb -0.11 -0.33 -0.07 0.00 0.50 0.00 0.00 46.19 46.18 2j45 s LEU 130 CO 0.48 -0.15 0.63 -0.76 -1.32 0.00 0.00 176.35 175.23 2j45 s LEU 131 N 1.53 4.50 -0.18 -0.68 1.43 -0.30 -0.68 118.68 124.30 2j45 s LEU 131 Ca -0.02 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2j45 s LEU 131 Cb -0.13 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.03 2j45 s LEU 131 CO -0.03 0.22 -0.14 -0.69 0.23 0.00 0.00 176.35 175.94 2j45 s VAL 132 N -1.20 1.74 -0.61 -1.59 1.01 0.02 -0.58 120.40 119.21 2j45 s VAL 132 Ca 0.33 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2j45 s VAL 132 Cb -0.20 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.58 2j45 s VAL 132 CO 0.21 0.37 0.82 0.00 0.00 0.00 0.00 175.10 176.49 2j45 s ALA 133 N 1.39 3.27 -1.92 5.51 0.00 -0.30 -0.53 121.76 129.18 2j45 s ALA 133 Ca 0.02 -1.93 0.22 0.00 0.00 0.00 0.00 51.96 50.27 2j45 s ALA 133 Cb -0.14 -3.66 0.64 0.00 0.00 0.00 0.00 23.12 19.96 2j45 s ALA 133 CO -0.10 -2.48 1.54 0.00 0.00 0.00 0.00 175.76 174.71 2j45 n ALA 134 N 6.96 2.39 -2.29 0.00 0.00 -0.52 -1.56 120.51 125.49 2j45 n ALA 134 Ca -0.06 -1.31 -0.43 0.00 0.00 0.00 0.00 53.44 51.64 2j45 n ALA 134 Cb 0.44 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2j45 n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2j45 s ASP 135 N -1.00 6.24 0.00 0.00 -1.08 -1.26 -4.61 116.67 114.96 2j45 s ASP 135 Ca 0.49 0.86 0.26 0.00 -0.52 0.00 0.00 52.55 53.63 2j45 s ASP 135 Cb 0.25 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.40 2j45 s ASP 135 CO 0.33 -1.51 1.82 0.35 0.52 0.00 0.00 175.17 176.68 2j45 n THR 136 N 7.13 0.05 -0.09 1.71 -2.24 -1.26 -3.94 114.28 115.64 2j45 n THR 136 Ca 0.17 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2j45 n THR 136 Cb 0.48 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 2j45 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j45 n GLN 137 N -0.25 0.73 -3.97 -0.78 3.00 -1.26 -0.89 117.38 113.95 2j45 n GLN 137 Ca 0.19 0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.95 2j45 n GLN 137 Cb 0.24 -1.37 -0.15 0.00 0.00 0.00 0.00 30.24 28.96 2j45 n GLN 137 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2j45 s ARG 138 N -2.37 1.56 0.39 -1.09 0.52 -1.25 -4.98 118.95 111.72 2j45 s ARG 138 Ca -0.21 -2.03 0.12 0.00 -0.52 0.00 0.00 55.73 53.09 2j45 s ARG 138 Cb 0.06 -3.14 0.93 0.00 0.52 0.00 0.00 34.95 33.32 2j45 s ARG 138 CO 0.47 -0.99 1.89 -1.35 0.02 0.00 0.00 175.30 175.33 2j45 h PRO 139 N 7.32 0.55 -0.43 3.54 0.11 -1.94 -1.69 132.00 139.46 2j45 h PRO 139 Ca -0.06 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2j45 h PRO 139 Cb 0.98 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2j45 h PRO 139 CO 0.56 0.36 0.13 0.00 -0.21 0.00 0.00 178.00 178.85 2j45 h ALA 140 N 1.62 1.42 -0.49 -0.75 0.00 -1.97 -0.25 119.26 118.84 2j45 h ALA 140 Ca 0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2j45 h ALA 140 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2j45 h ALA 140 CO -0.17 0.43 0.02 0.00 0.00 0.00 0.00 179.25 179.52 2j45 h ALA 141 N 1.53 1.10 -0.22 0.00 0.00 -1.70 -1.08 119.26 118.88 2j45 h ALA 141 Ca 0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2j45 h ALA 141 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2j45 h ALA 141 CO -0.01 0.57 -0.39 0.00 0.00 0.00 0.00 179.25 179.43 2j45 h ARG 142 N 0.76 0.66 -0.52 0.00 3.08 -1.26 -2.94 114.38 114.15 2j45 h ARG 142 Ca 0.15 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 2j45 h ARG 142 Cb 0.44 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2j45 h ARG 142 CO 0.02 1.03 0.24 0.93 -1.07 0.00 0.00 179.97 181.12 2j45 h GLU 143 N 0.36 0.73 -0.37 0.04 5.08 -0.99 -0.66 114.58 118.76 2j45 h GLU 143 Ca 0.01 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2j45 h GLU 143 Cb 0.98 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2j45 h GLU 143 CO 0.09 0.57 0.20 0.37 -1.00 0.00 0.00 179.01 179.23 2j45 h GLN 144 N 0.73 0.39 -0.46 2.33 4.15 -1.14 -1.36 115.11 119.75 2j45 h GLN 144 Ca 0.18 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 2j45 h GLN 144 Cb 0.09 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2j45 h GLN 144 CO -0.02 0.26 -0.18 1.25 -1.93 0.00 0.00 178.83 178.21 2j45 h LEU 145 N 0.40 0.90 -0.37 -2.39 5.85 -1.24 -1.59 115.31 116.87 2j45 h LEU 145 Ca 0.15 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2j45 h LEU 145 Cb 0.04 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 2j45 h LEU 145 CO -0.09 1.06 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.77 2j45 h ARG 146 N 0.78 -0.14 -0.23 1.25 2.43 -0.78 0.10 114.38 117.80 2j45 h ARG 146 Ca 0.11 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2j45 h ARG 146 Cb 0.71 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2j45 h ARG 146 CO 0.05 -0.09 0.13 1.25 -1.51 0.00 0.00 179.97 179.80 2j45 h LEU 147 N -0.14 0.20 -0.74 3.80 5.85 -1.02 -1.72 115.31 121.54 2j45 h LEU 147 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2j45 h LEU 147 Cb 0.43 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2j45 h LEU 147 CO -0.46 0.15 0.42 -0.07 -0.34 0.00 0.00 178.44 178.14 2j45 h LEU 148 N 0.27 0.92 -0.99 2.25 3.38 -0.95 -1.69 115.31 118.49 2j45 h LEU 148 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2j45 h LEU 148 Cb 0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2j45 h LEU 148 CO -0.05 0.75 0.45 1.23 0.09 0.00 0.00 178.44 180.91 2j45 h GLY 149 N 1.03 1.24 1.01 0.83 0.00 -0.54 -1.08 103.07 105.56 2j45 h GLY 149 Ca 0.26 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2j45 h GLY 149 CO -0.04 0.54 0.38 -2.09 0.00 0.00 0.00 176.54 175.33 2j45 h GLU 150 N 1.16 1.05 0.00 4.80 4.81 -0.67 0.10 114.58 125.84 2j45 h GLU 150 Ca 0.29 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2j45 h GLU 150 Cb 0.03 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 2j45 h GLU 150 CO -0.05 0.80 -0.12 0.87 -0.73 0.00 0.00 179.01 179.78 2j45 h LYS 151 N 1.03 0.00 -0.05 1.92 1.57 -0.43 -2.91 116.57 117.70 2j45 h LYS 151 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2j45 h LYS 151 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2j45 h LYS 151 CO -0.04 0.12 0.00 1.33 -0.57 0.00 0.00 179.45 180.29 2j45 n VAL 152 N -3.23 0.05 -3.13 0.50 0.24 -0.50 -5.01 118.33 107.26 2j45 n VAL 152 Ca 0.01 -0.53 -0.14 0.00 -2.04 0.00 0.00 64.34 61.64 2j45 n VAL 152 Cb 0.41 1.35 0.05 0.00 -1.47 0.00 0.00 33.84 34.18 2j45 n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j45 n GLY 153 N 1.08 0.04 3.15 7.63 0.00 0.21 -4.86 105.19 112.44 2j45 n GLY 153 Ca 0.12 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2j45 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j45 s VAL 154 N -3.17 1.46 0.62 1.61 1.01 -0.33 -5.03 120.40 116.57 2j45 s VAL 154 Ca 0.34 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 2j45 s VAL 154 Cb -0.15 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2j45 s VAL 154 CO 0.42 0.42 1.13 -2.16 0.00 0.00 0.00 175.10 174.91 2j45 s PRO 155 N -0.06 2.98 -0.04 2.72 0.04 -1.26 -4.27 135.00 135.10 2j45 s PRO 155 Ca -0.02 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2j45 s PRO 155 Cb -0.11 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2j45 s PRO 155 CO 0.02 -1.13 -0.11 0.08 0.04 0.00 0.00 177.00 175.89 2j45 s VAL 156 N -2.07 1.01 -0.23 -0.36 1.01 -1.26 -1.15 120.40 117.34 2j45 s VAL 156 Ca 0.70 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2j45 s VAL 156 Cb -0.23 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2j45 s VAL 156 CO 0.36 0.31 -0.03 -0.22 0.00 0.00 0.00 175.10 175.53 2j45 s LEU 157 N 0.39 3.06 -0.19 3.92 2.96 0.26 -4.99 118.68 124.08 2j45 s LEU 157 Ca -0.08 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 2j45 s LEU 157 Cb -0.12 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2j45 s LEU 157 CO 0.02 -0.05 0.26 -1.61 -1.32 0.00 0.00 176.35 173.65 2j45 s GLU 158 N 1.47 4.19 0.74 1.98 2.02 -1.26 -1.15 118.70 126.69 2j45 s GLU 158 Ca 0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.90 2j45 s GLU 158 Cb -0.15 -3.48 0.04 0.00 0.10 0.00 0.00 34.13 30.65 2j45 s GLU 158 CO -0.02 0.14 1.11 0.14 0.02 0.00 0.00 175.26 176.64 2j45 s VAL 159 N 0.78 3.18 0.41 2.63 -7.23 -0.60 -4.97 120.40 114.61 2j45 s VAL 159 Ca 0.14 0.44 -0.05 0.00 -1.81 0.00 0.00 61.98 60.70 2j45 s VAL 159 Cb -0.13 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2j45 s VAL 159 CO 0.04 -0.44 0.71 -0.04 -0.31 0.00 0.00 175.10 175.05 2j45 s MET 160 N -4.58 3.59 0.07 4.82 1.00 -1.26 -4.96 119.30 117.97 2j45 s MET 160 Ca 0.64 0.13 -0.35 0.00 0.00 0.00 0.00 55.69 56.10 2j45 s MET 160 Cb -0.19 -2.47 -0.14 0.00 0.00 0.00 0.00 34.83 32.03 2j45 s MET 160 CO 0.51 -0.05 1.58 -0.25 0.00 0.00 0.00 175.02 176.81 2j45 n ASP 161 N -1.80 2.71 -0.11 3.03 8.00 -1.26 -1.32 116.55 125.79 2j45 n ASP 161 Ca -0.00 1.07 -0.01 0.00 0.71 0.00 0.00 54.79 56.56 2j45 n ASP 161 Cb 0.55 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.31 2j45 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j45 n GLY 162 N 3.39 0.37 3.77 0.44 0.00 -0.07 -4.95 105.19 108.14 2j45 n GLY 162 Ca 0.19 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2j45 n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j45 s GLU 163 N -1.31 4.27 0.66 1.61 2.12 -0.44 -4.97 118.70 120.64 2j45 s GLU 163 Ca 0.00 2.33 -0.15 0.00 0.36 0.00 0.00 54.97 57.51 2j45 s GLU 163 Cb 0.00 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2j45 s GLU 163 CO 0.00 -0.34 1.13 -1.54 -0.54 0.00 0.00 175.26 173.97 2j45 s SER 164 N -0.17 5.03 0.39 -1.70 1.04 -1.26 -4.85 113.70 112.17 2j45 s SER 164 Ca 0.53 2.07 0.06 0.00 0.48 0.00 0.00 55.95 59.08 2j45 s SER 164 Cb -0.42 -2.56 0.77 0.00 0.10 0.00 0.00 66.02 63.91 2j45 s SER 164 CO 0.53 -1.69 2.01 1.55 0.98 0.00 0.00 173.24 176.62 2j45 h PRO 165 N 0.08 0.58 -0.53 4.02 0.13 -1.95 -0.75 132.00 133.58 2j45 h PRO 165 Ca -0.47 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 2j45 h PRO 165 Cb 1.25 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2j45 h PRO 165 CO 0.54 0.43 -0.10 0.93 -0.23 0.00 0.00 178.00 179.57 2j45 h GLU 166 N 0.59 0.98 -0.49 0.86 3.07 -1.96 -0.35 114.58 117.28 2j45 h GLU 166 Ca 0.15 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.36 58.58 2j45 h GLU 166 Cb 0.02 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2j45 h GLU 166 CO -0.03 1.02 -0.02 1.03 -1.40 0.00 0.00 179.01 179.61 2j45 h SER 167 N 0.88 0.87 -0.61 1.42 0.87 -1.79 -1.25 113.55 113.94 2j45 h SER 167 Ca 0.14 -0.32 0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2j45 h SER 167 Cb 0.65 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 2j45 h SER 167 CO 0.04 0.98 0.34 0.40 -0.53 0.00 0.00 176.83 178.06 2j45 h ILE 168 N 0.74 0.99 -0.29 2.23 2.04 -0.91 -1.21 117.51 121.09 2j45 h ILE 168 Ca 0.14 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2j45 h ILE 168 Cb 0.55 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2j45 h ILE 168 CO 0.03 0.12 0.07 -0.09 0.00 0.00 0.00 178.15 178.28 2j45 h ARG 169 N 0.65 0.18 -0.73 2.37 2.43 -0.79 -0.16 114.38 118.33 2j45 h ARG 169 Ca 0.27 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2j45 h ARG 169 Cb 0.13 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 2j45 h ARG 169 CO -0.16 0.12 0.41 -0.09 -1.51 0.00 0.00 179.97 178.75 2j45 h ARG 170 N 0.18 0.72 0.15 0.20 2.43 -0.32 -0.81 114.38 116.94 2j45 h ARG 170 Ca 0.13 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.97 2j45 h ARG 170 Cb 0.13 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2j45 h ARG 170 CO -0.16 0.48 -1.27 0.00 -1.51 0.00 0.00 179.97 177.51 2j45 h ARG 171 N 0.75 0.41 -0.75 0.20 3.08 -0.89 -1.17 114.38 116.00 2j45 h ARG 171 Ca 0.33 -0.63 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 2j45 h ARG 171 Cb 0.23 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2j45 h ARG 171 CO -0.20 1.29 0.25 0.28 -1.07 0.00 0.00 179.97 180.52 2j45 h VAL 172 N 0.14 1.26 -0.39 2.04 2.07 -0.84 -1.75 116.25 118.78 2j45 h VAL 172 Ca -0.17 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2j45 h VAL 172 Cb 1.97 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2j45 h VAL 172 CO 0.22 0.35 0.14 -0.08 0.02 0.00 0.00 177.57 178.22 2j45 h GLU 173 N 1.10 0.60 -0.29 1.57 4.81 -1.10 -0.09 114.58 121.18 2j45 h GLU 173 Ca 0.24 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2j45 h GLU 173 Cb 0.28 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2j45 h GLU 173 CO -0.01 0.58 0.18 1.49 -0.73 0.00 0.00 179.01 180.53 2j45 h GLU 174 N 0.49 0.36 -0.21 1.92 4.81 -1.01 -2.35 114.58 118.59 2j45 h GLU 174 Ca 0.13 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 2j45 h GLU 174 Cb 0.22 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2j45 h GLU 174 CO -0.01 0.24 -0.42 -0.22 -0.73 0.00 0.00 179.01 177.87 2j45 h LYS 175 N 0.37 0.66 -0.71 1.92 3.64 -1.13 -2.03 116.57 119.29 2j45 h LYS 175 Ca 0.11 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 2j45 h LYS 175 Cb -0.03 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2j45 h LYS 175 CO -0.03 1.04 0.40 0.00 -2.27 0.00 0.00 179.45 178.59 2j45 h ALA 176 N 0.61 1.37 -0.15 5.00 0.00 -1.01 -0.71 119.26 124.37 2j45 h ALA 176 Ca 0.01 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2j45 h ALA 176 Cb 1.02 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2j45 h ALA 176 CO 0.09 0.53 -0.79 -0.09 0.00 0.00 0.00 179.25 178.99 2j45 h ARG 177 N 0.98 0.80 -0.12 0.00 2.43 -1.34 0.02 114.38 117.15 2j45 h ARG 177 Ca 0.25 -0.66 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 2j45 h ARG 177 Cb 0.01 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2j45 h ARG 177 CO -0.04 1.26 -0.40 -0.07 -1.51 0.00 0.00 179.97 179.21 2j45 h LEU 178 N 0.54 0.27 -2.47 3.80 3.38 -1.12 -3.17 115.31 116.54 2j45 h LEU 178 Ca -0.06 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2j45 h LEU 178 Cb 1.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2j45 h LEU 178 CO 0.16 0.65 0.00 -0.62 0.09 0.00 0.00 178.44 178.72 2j45 n GLU 179 N -4.03 2.47 -3.92 1.13 1.02 -0.29 -4.97 120.64 112.03 2j45 n GLU 179 Ca -0.01 -2.26 -0.29 0.00 -0.02 0.00 0.00 57.16 54.58 2j45 n GLU 179 Cb 0.47 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 2j45 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2j45 n ALA 180 N 1.29 -1.53 -1.76 0.62 0.00 -0.44 -4.93 120.51 113.76 2j45 n ALA 180 Ca 0.18 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.25 2j45 n ALA 180 Cb 0.55 -3.40 -0.05 0.00 0.00 0.00 0.00 19.45 16.56 2j45 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j45 s ARG 181 N -6.52 4.71 0.00 0.00 1.81 -0.14 -4.77 118.95 114.03 2j45 s ARG 181 Ca 0.45 1.64 0.00 0.00 -1.72 0.00 0.00 55.73 56.10 2j45 s ARG 181 Cb -0.23 -3.18 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 2j45 s ARG 181 CO 0.85 0.32 0.79 -0.40 -0.68 0.00 0.00 175.30 176.19 2j45 n ASP 182 N 1.23 1.23 -3.32 0.23 5.68 0.13 -4.83 116.55 116.91 2j45 n ASP 182 Ca -0.01 -1.60 -0.07 0.00 -0.50 0.00 0.00 54.79 52.61 2j45 n ASP 182 Cb 0.46 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 2j45 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2j45 s LEU 183 N -0.60 -0.77 -0.23 -2.12 2.96 -1.13 -4.14 118.68 112.65 2j45 s LEU 183 Ca 0.00 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2j45 s LEU 183 Cb 0.00 1.30 -0.03 0.00 0.50 0.00 0.00 46.19 47.97 2j45 s LEU 183 CO 0.00 -0.29 0.04 -0.63 -1.32 0.00 0.00 176.35 174.15 2j45 s ILE 184 N 2.60 4.15 -0.32 6.68 1.01 0.47 -0.50 121.20 135.29 2j45 s ILE 184 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 2j45 s ILE 184 Cb -0.15 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.46 2j45 s ILE 184 CO -0.17 0.38 0.05 -0.76 0.00 0.00 0.00 174.94 174.44 2j45 s LEU 185 N 1.35 4.17 -0.45 2.97 1.43 0.14 -0.46 118.68 127.83 2j45 s LEU 185 Ca 0.05 -1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 51.60 2j45 s LEU 185 Cb -0.15 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.37 2j45 s LEU 185 CO 0.02 -0.31 0.44 -0.69 0.23 0.00 0.00 176.35 176.04 2j45 s VAL 186 N 1.25 5.12 -0.68 -1.59 1.01 0.17 -0.80 120.40 124.89 2j45 s VAL 186 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2j45 s VAL 186 Cb -0.20 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.12 2j45 s VAL 186 CO -0.01 -0.53 1.13 -0.62 0.00 0.00 0.00 175.10 175.06 2j45 s ASP 187 N 2.23 6.21 0.89 3.32 2.15 0.31 -0.45 116.67 131.33 2j45 s ASP 187 Ca 0.09 -0.57 -0.13 0.00 0.43 0.00 0.00 52.55 52.36 2j45 s ASP 187 Cb -0.20 -2.50 0.13 0.00 -0.30 0.00 0.00 42.92 40.05 2j45 s ASP 187 CO 0.10 -1.60 1.19 0.42 -0.17 0.00 0.00 175.17 175.11 2j45 s THR 188 N 4.90 1.98 0.24 1.71 -4.23 -0.94 -1.44 115.64 117.86 2j45 s THR 188 Ca 0.31 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 2j45 s THR 188 Cb -0.11 -2.90 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 2j45 s THR 188 CO 0.15 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.65 2j45 s ALA 189 N -3.52 3.62 -0.15 3.99 0.00 -1.26 -4.75 121.76 119.69 2j45 s ALA 189 Ca 0.65 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.87 2j45 s ALA 189 Cb -0.11 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 2j45 s ALA 189 CO 0.51 -0.72 0.01 0.20 0.00 0.00 0.00 175.76 175.77 2j45 s GLY 190 N 0.38 1.82 0.22 0.00 0.00 -1.26 -4.74 107.32 103.74 2j45 s GLY 190 Ca 0.59 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.57 2j45 s GLY 190 CO 0.42 -0.14 -0.03 0.50 0.00 0.00 0.00 173.10 173.85 2j45 s ARG 191 N 0.06 1.32 0.32 2.90 1.81 -1.26 -4.51 118.95 119.59 2j45 s ARG 191 Ca 0.03 -1.65 0.16 0.00 -1.72 0.00 0.00 55.73 52.54 2j45 s ARG 191 Cb -0.13 -0.72 0.39 0.00 -0.45 0.00 0.00 34.95 34.04 2j45 s ARG 191 CO 0.02 -0.04 1.59 -0.07 -0.68 0.00 0.00 175.30 176.12 2j45 h LEU 192 N 2.50 0.00 -8.96 2.53 3.38 -1.96 -1.36 115.31 111.43 2j45 h LEU 192 Ca -0.38 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.12 2j45 h LEU 192 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2j45 h LEU 192 CO 0.65 0.48 -0.72 -1.10 0.09 0.00 0.00 178.44 177.84 2j45 s GLN 193 N -3.32 1.39 0.28 1.13 -1.52 -1.26 -4.88 119.66 111.48 2j45 s GLN 193 Ca 0.01 -1.64 -0.30 0.00 -1.95 0.00 0.00 55.36 51.48 2j45 s GLN 193 Cb 0.10 -1.16 -0.11 0.00 -0.22 0.00 0.00 33.01 31.62 2j45 s GLN 193 CO 0.72 0.16 1.62 0.42 -0.25 0.00 0.00 175.29 177.97 2j45 s ILE 194 N -2.96 2.04 -0.24 1.08 -1.09 -1.26 -4.97 121.20 113.80 2j45 s ILE 194 Ca 0.24 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2j45 s ILE 194 Cb -0.00 -3.02 0.07 0.00 -1.58 0.00 0.00 42.46 37.93 2j45 s ILE 194 CO 0.08 0.01 0.00 -0.62 -1.23 0.00 0.00 174.94 173.18 2j45 s ASP 195 N 0.64 3.66 0.03 3.58 3.68 -1.26 -5.06 116.67 121.94 2j45 s ASP 195 Ca 0.66 -1.20 -0.23 0.00 2.13 0.00 0.00 52.55 53.90 2j45 s ASP 195 Cb -0.48 -0.98 -0.16 0.00 -1.45 0.00 0.00 42.92 39.84 2j45 s ASP 195 CO 0.45 -0.29 1.43 -0.33 0.13 0.00 0.00 175.17 176.56 2j45 h GLU 196 N 8.04 0.11 -1.36 4.34 4.39 -1.98 2.01 114.58 130.13 2j45 h GLU 196 Ca -0.16 -0.04 0.40 0.00 0.34 0.00 0.00 59.36 59.91 2j45 h GLU 196 Cb 1.07 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.63 2j45 h GLU 196 CO 0.41 0.41 0.94 -1.35 -1.16 0.00 0.00 179.01 178.26 2j45 h PRO 197 N -0.21 0.09 -0.04 2.33 0.11 -1.99 0.19 132.00 132.49 2j45 h PRO 197 Ca 0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2j45 h PRO 197 Cb 0.37 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2j45 h PRO 197 CO 0.00 0.06 -0.07 1.25 -0.21 0.00 0.00 178.00 179.04 2j45 h LEU 198 N 0.09 0.12 -1.31 2.35 5.85 -0.21 -0.39 115.31 121.81 2j45 h LEU 198 Ca 0.72 -0.56 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 2j45 h LEU 198 Cb 2.53 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.52 2j45 h LEU 198 CO -0.17 0.66 -0.33 0.24 -0.34 0.00 0.00 178.44 178.50 2j45 h MET 199 N -0.41 0.00 -0.22 1.25 2.86 0.42 -0.08 114.93 118.74 2j45 h MET 199 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 2j45 h MET 199 Cb 0.64 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2j45 h MET 199 CO 0.02 0.33 -0.37 0.78 1.06 0.00 0.00 176.91 178.73 2j45 h GLY 200 N 1.19 0.54 1.27 8.32 0.00 -0.67 -2.15 103.07 111.57 2j45 h GLY 200 Ca -0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 47.33 46.56 2j45 h GLY 200 CO 0.04 0.46 -1.00 0.83 0.00 0.00 0.00 176.54 176.88 2j45 h GLU 201 N 0.42 0.66 -0.21 4.80 5.08 -0.67 -2.01 114.58 122.65 2j45 h GLU 201 Ca 0.04 -0.69 -0.07 0.00 -1.00 0.00 0.00 59.36 57.65 2j45 h GLU 201 Cb 0.84 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2j45 h GLU 201 CO 0.07 1.28 -0.16 1.25 -1.00 0.00 0.00 179.01 180.45 2j45 h LEU 202 N 0.38 0.34 -0.45 1.33 5.85 -0.85 -2.09 115.31 119.82 2j45 h LEU 202 Ca -0.11 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 2j45 h LEU 202 Cb 1.64 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 2j45 h LEU 202 CO 0.19 0.53 -0.44 0.00 -0.34 0.00 0.00 178.44 178.38 2j45 h ALA 203 N 1.51 0.63 -0.54 1.25 0.00 -1.07 -2.37 119.26 118.67 2j45 h ALA 203 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 2j45 h ALA 203 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2j45 h ALA 203 CO 0.03 0.67 -0.09 -0.09 0.00 0.00 0.00 179.25 179.78 2j45 h ARG 204 N 0.64 1.01 -0.65 0.00 9.65 -1.31 -0.33 114.38 123.39 2j45 h ARG 204 Ca 0.04 -0.37 -0.05 0.00 -1.10 0.00 0.00 59.98 58.50 2j45 h ARG 204 Cb 1.01 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.49 2j45 h ARG 204 CO 0.10 1.05 0.20 1.25 2.80 0.00 0.00 179.97 185.36 2j45 h LEU 205 N 0.89 0.94 -0.65 3.80 5.85 -1.30 -0.00 115.31 124.83 2j45 h LEU 205 Ca 0.14 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2j45 h LEU 205 Cb 0.65 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2j45 h LEU 205 CO 0.04 0.88 0.24 0.50 -0.34 0.00 0.00 178.44 179.77 2j45 h LYS 206 N 0.97 0.98 -0.71 1.25 3.64 -1.18 0.63 116.57 122.15 2j45 h LYS 206 Ca 0.21 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2j45 h LYS 206 Cb 0.29 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2j45 h LYS 206 CO -0.01 0.84 0.47 0.93 -2.27 0.00 0.00 179.45 179.41 2j45 h GLU 207 N 0.92 0.94 0.05 1.90 5.08 -0.43 0.13 114.58 123.17 2j45 h GLU 207 Ca 0.21 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 2j45 h GLU 207 Cb 0.23 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.29 2j45 h GLU 207 CO -0.01 0.63 -0.83 0.28 -1.00 0.00 0.00 179.01 178.07 2j45 h VAL 208 N 0.96 1.39 0.00 3.13 2.07 -0.69 -3.35 116.25 119.76 2j45 h VAL 208 Ca 0.26 -2.25 -0.07 0.00 0.82 0.00 0.00 66.70 65.46 2j45 h VAL 208 Cb -0.10 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2j45 h VAL 208 CO -0.06 0.67 -0.88 -0.07 0.02 0.00 0.00 177.57 177.25 2j45 h LEU 209 N 0.01 0.00 -1.78 2.57 3.38 -0.89 -3.49 115.31 115.11 2j45 h LEU 209 Ca -0.12 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.49 2j45 h LEU 209 Cb 1.55 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.42 2j45 h LEU 209 CO 0.16 0.27 -0.80 0.61 0.09 0.00 0.00 178.44 178.76 2j45 n GLY 210 N 1.24 -0.38 3.77 0.83 0.00 0.03 -4.90 105.19 105.77 2j45 n GLY 210 Ca -0.02 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2j45 n GLY 210 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j45 s PRO 211 N -5.59 3.76 0.27 1.61 0.04 -1.26 -4.92 135.00 128.90 2j45 s PRO 211 Ca 0.03 2.41 0.02 0.00 0.04 0.00 0.00 61.00 63.50 2j45 s PRO 211 Cb -0.01 -2.70 0.38 0.00 0.04 0.00 0.00 34.50 32.21 2j45 s PRO 211 CO 0.77 -0.76 1.70 -0.44 0.04 0.00 0.00 177.00 178.31 2j45 h ASP 212 N 2.43 0.51 -4.65 6.66 3.32 -1.31 -3.46 116.42 119.91 2j45 h ASP 212 Ca -0.51 -0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.05 2j45 h ASP 212 Cb 1.26 -0.14 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 2j45 h ASP 212 CO 0.62 0.77 -0.74 -1.61 -1.72 0.00 0.00 179.24 176.55 2j45 s GLU 213 N -4.47 0.65 -0.19 3.56 0.41 -1.24 -5.02 118.70 112.39 2j45 s GLU 213 Ca -0.07 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 53.61 2j45 s GLU 213 Cb 0.14 -0.45 0.05 0.00 -1.78 0.00 0.00 34.13 32.09 2j45 s GLU 213 CO 0.80 0.08 -0.03 0.08 -0.49 0.00 0.00 175.26 175.70 2j45 s VAL 214 N -1.54 1.07 -0.30 2.63 1.01 -1.26 -1.33 120.40 120.67 2j45 s VAL 214 Ca -0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 2j45 s VAL 214 Cb -0.09 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2j45 s VAL 214 CO 0.01 -0.04 0.08 -0.76 0.00 0.00 0.00 175.10 174.39 2j45 s LEU 215 N 1.62 3.93 -0.25 3.92 1.43 0.59 -0.53 118.68 129.39 2j45 s LEU 215 Ca -0.02 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 2j45 s LEU 215 Cb -0.17 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2j45 s LEU 215 CO -0.07 -0.22 0.61 -0.22 0.23 0.00 0.00 176.35 176.67 2j45 s LEU 216 N 1.47 4.07 -0.20 1.79 2.96 -0.27 -1.26 118.68 127.24 2j45 s LEU 216 Ca 0.01 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 2j45 s LEU 216 Cb -0.18 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2j45 s LEU 216 CO 0.02 -0.35 0.35 -0.69 -1.32 0.00 0.00 176.35 174.36 2j45 s VAL 217 N 2.41 5.24 -0.04 1.68 1.01 -0.06 -0.85 120.40 129.79 2j45 s VAL 217 Ca 0.25 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.87 2j45 s VAL 217 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2j45 s VAL 217 CO 0.09 0.29 -0.13 -0.76 0.00 0.00 0.00 175.10 174.60 2j45 s LEU 218 N 1.09 1.80 -0.08 3.92 1.43 -0.00 -4.39 118.68 122.44 2j45 s LEU 218 Ca 0.17 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2j45 s LEU 218 Cb -0.14 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2j45 s LEU 218 CO 0.07 0.09 1.33 -0.62 0.23 0.00 0.00 176.35 177.45 2j45 s ASP 219 N 0.23 6.91 0.47 2.29 -1.08 -1.26 -0.93 116.67 123.30 2j45 s ASP 219 Ca -0.05 1.89 0.12 0.00 -0.52 0.00 0.00 52.55 53.99 2j45 s ASP 219 Cb -0.11 -2.55 1.09 0.00 -1.46 0.00 0.00 42.92 39.89 2j45 s ASP 219 CO 0.02 -0.73 2.10 0.00 0.52 0.00 0.00 175.17 177.08 2j45 h ALA 220 N 8.09 1.86 0.00 3.66 0.00 -1.21 -2.77 119.26 128.90 2j45 h ALA 220 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2j45 h ALA 220 Cb 1.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2j45 h ALA 220 CO 0.93 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 178.97 2j45 n MET 221 N -4.50 0.88 0.00 0.00 2.81 -1.26 -2.76 117.12 112.29 2j45 n MET 221 Ca -0.01 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 2j45 n MET 221 Cb 0.09 -1.26 0.01 0.00 -0.71 0.00 0.00 33.22 31.35 2j45 n MET 221 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2j45 n THR 222 N -0.76 0.00 -4.31 2.03 -2.24 -1.04 -5.01 114.28 102.94 2j45 n THR 222 Ca 0.11 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2j45 n THR 222 Cb 0.05 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2j45 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j45 n GLY 223 N 1.42 -0.00 0.55 3.38 0.00 -1.11 -3.34 105.19 106.09 2j45 n GLY 223 Ca 0.09 -0.97 0.44 0.00 0.00 0.00 0.00 46.02 45.58 2j45 n GLY 223 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2j45 n GLN 224 N 0.00 -0.02 -0.21 1.61 1.13 -1.26 -0.51 117.38 118.12 2j45 n GLN 224 Ca 0.00 1.11 0.02 0.00 -1.94 0.00 0.00 57.00 56.19 2j45 n GLN 224 Cb 0.00 -2.35 0.12 0.00 0.11 0.00 0.00 30.24 28.13 2j45 n GLN 224 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2j45 h GLU 225 N 0.00 0.23 -0.89 -1.09 5.08 -1.98 -1.23 114.58 114.69 2j45 h GLU 225 Ca 0.86 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.32 2j45 h GLU 225 Cb 3.08 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 32.21 2j45 h GLU 225 CO -0.25 0.15 0.58 0.00 -1.00 0.00 0.00 179.01 178.49 2j45 h ALA 226 N 1.53 1.69 -0.31 3.43 0.00 -0.97 0.26 119.26 124.90 2j45 h ALA 226 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 2j45 h ALA 226 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2j45 h ALA 226 CO -0.45 0.10 -0.32 -0.07 0.00 0.00 0.00 179.25 178.51 2j45 h LEU 227 N 0.82 0.68 -0.55 0.00 3.38 -1.36 0.00 115.31 118.28 2j45 h LEU 227 Ca 0.43 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2j45 h LEU 227 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2j45 h LEU 227 CO -0.19 0.95 0.06 0.28 0.09 0.00 0.00 178.44 179.63 2j45 h SER 228 N 0.56 0.90 -0.66 -0.43 0.02 -0.12 -1.07 113.55 112.75 2j45 h SER 228 Ca 0.06 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2j45 h SER 228 Cb 0.82 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2j45 h SER 228 CO 0.07 0.95 0.42 0.58 -1.14 0.00 0.00 176.83 177.71 2j45 h VAL 229 N 0.82 1.18 -0.48 2.27 2.07 -0.45 -1.66 116.25 120.00 2j45 h VAL 229 Ca 0.16 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2j45 h VAL 229 Cb 0.45 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2j45 h VAL 229 CO 0.02 0.18 0.32 0.00 0.02 0.00 0.00 177.57 178.11 2j45 h ALA 230 N 1.22 1.69 0.09 1.67 0.00 -0.76 -0.76 119.26 122.41 2j45 h ALA 230 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2j45 h ALA 230 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2j45 h ALA 230 CO -0.05 0.28 -0.04 -0.09 0.00 0.00 0.00 179.25 179.35 2j45 h ARG 231 N 0.62 -0.11 -0.08 0.00 2.43 -0.32 -0.02 114.38 116.89 2j45 h ARG 231 Ca 0.18 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2j45 h ARG 231 Cb -0.02 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2j45 h ARG 231 CO -0.04 0.05 0.01 0.00 -1.51 0.00 0.00 179.97 178.48 2j45 h ALA 232 N 0.64 0.11 -0.44 2.80 0.00 -0.84 -0.70 119.26 120.84 2j45 h ALA 232 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2j45 h ALA 232 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2j45 h ALA 232 CO 0.02 -0.23 -0.09 0.74 0.00 0.00 0.00 179.25 179.68 2j45 h PHE 233 N -0.11 0.85 -0.25 0.00 0.04 -1.10 -1.44 116.94 114.93 2j45 h PHE 233 Ca 0.03 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.52 2j45 h PHE 233 Cb 0.30 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 2j45 h PHE 233 CO 0.02 0.84 -0.36 0.22 -0.60 0.00 0.00 178.31 178.42 2j45 h ASP 234 N 0.71 0.58 -0.50 2.17 3.58 -0.80 -0.15 116.42 122.01 2j45 h ASP 234 Ca 0.12 -0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.23 2j45 h ASP 234 Cb 0.57 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2j45 h ASP 234 CO 0.04 0.89 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.86 2j45 h GLU 235 N 0.46 0.94 0.00 0.28 4.39 -0.91 -2.53 114.58 117.21 2j45 h GLU 235 Ca 0.05 -0.35 -0.22 0.00 0.34 0.00 0.00 59.36 59.18 2j45 h GLU 235 Cb 0.85 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2j45 h GLU 235 CO 0.07 1.01 -2.23 1.63 -1.16 0.00 0.00 179.01 178.33 2j45 n LYS 236 N -4.22 0.68 0.00 2.33 5.02 -0.56 -4.76 118.16 116.64 2j45 n LYS 236 Ca 0.01 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2j45 n LYS 236 Cb 0.38 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2j45 n LYS 236 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2j45 n VAL 237 N -2.56 0.00 -0.13 -0.18 0.31 -0.20 -4.72 118.33 110.85 2j45 n VAL 237 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2j45 n VAL 237 Cb 0.92 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 2j45 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j45 n GLY 238 N 2.82 0.23 3.60 2.92 0.00 -0.42 -4.97 105.19 109.38 2j45 n GLY 238 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 2j45 n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j45 s VAL 239 N 0.00 3.52 -0.08 1.61 -7.23 -1.26 -4.77 120.40 112.19 2j45 s VAL 239 Ca 0.00 -1.13 0.16 0.00 -1.81 0.00 0.00 61.98 59.20 2j45 s VAL 239 Cb 0.00 -2.63 -0.24 0.00 0.56 0.00 0.00 36.38 34.07 2j45 s VAL 239 CO 0.00 0.17 0.38 0.35 -0.31 0.00 0.00 175.10 175.68 2j45 n THR 240 N 0.84 0.00 -3.69 5.32 -2.24 0.31 -4.95 114.28 109.88 2j45 n THR 240 Ca -0.13 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.27 2j45 n THR 240 Cb 0.52 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2j45 n THR 240 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j45 s GLY 241 N -3.73 -0.29 0.14 3.38 0.00 -1.13 -4.30 107.32 101.38 2j45 s GLY 241 Ca -0.05 0.38 0.11 0.00 0.00 0.00 0.00 44.72 45.15 2j45 s GLY 241 CO 0.66 0.08 -0.25 1.08 0.00 0.00 0.00 173.10 174.67 2j45 s LEU 242 N -2.86 2.34 -0.10 0.66 1.43 -0.12 -1.11 118.68 118.92 2j45 s LEU 242 Ca 0.11 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2j45 s LEU 242 Cb -0.00 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 45.09 2j45 s LEU 242 CO -0.00 0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 175.91 2j45 s VAL 243 N -1.22 1.24 -0.31 -1.59 1.01 -0.03 -1.78 120.40 117.72 2j45 s VAL 243 Ca 0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2j45 s VAL 243 Cb -0.09 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2j45 s VAL 243 CO 0.06 0.39 0.13 -0.76 0.00 0.00 0.00 175.10 174.92 2j45 s LEU 244 N 1.10 4.09 0.48 3.92 1.43 -1.06 -0.82 118.68 127.81 2j45 s LEU 244 Ca -0.06 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2j45 s LEU 244 Cb -0.14 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2j45 s LEU 244 CO -0.02 -0.22 0.70 0.42 0.23 0.00 0.00 176.35 177.45 2j45 s THR 245 N 1.55 3.56 -2.01 5.49 -4.23 -0.10 -0.47 115.64 119.43 2j45 s THR 245 Ca 0.03 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2j45 s THR 245 Cb -0.17 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2j45 s THR 245 CO 0.05 -0.22 0.00 0.29 -0.54 0.00 0.00 174.62 174.20 2j45 n LYS 246 N -2.15 -1.57 0.38 3.99 5.02 -1.18 -0.78 118.16 121.88 2j45 n LYS 246 Ca 0.04 1.13 -0.15 0.00 -2.02 0.00 0.00 58.31 57.30 2j45 n LYS 246 Cb 0.58 -5.66 -0.07 0.00 -0.02 0.00 0.00 35.03 29.86 2j45 n LYS 246 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2j45 h LEU 247 N 0.00 -0.83 -0.09 -0.35 3.38 -1.70 -2.12 115.31 113.60 2j45 h LEU 247 Ca -0.46 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2j45 h LEU 247 Cb 1.37 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 2j45 h LEU 247 CO 0.61 -0.55 0.97 -0.90 0.09 0.00 0.00 178.44 178.66 2j45 n ASP 248 N -4.86 0.00 -3.19 -0.43 5.75 -1.25 -4.44 116.55 108.12 2j45 n ASP 248 Ca -0.12 0.50 -0.24 0.00 -0.01 0.00 0.00 54.79 54.91 2j45 n ASP 248 Cb 0.39 -0.02 0.23 0.00 -1.03 0.00 0.00 41.12 40.69 2j45 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j45 n GLY 249 N -1.47 -3.82 3.02 6.12 0.00 -0.80 -4.94 105.19 103.31 2j45 n GLY 249 Ca 0.02 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2j45 n GLY 249 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2j45 s ASP 250 N -2.97 3.89 0.00 1.61 3.84 -1.26 -4.72 116.67 117.06 2j45 s ASP 250 Ca 0.54 -1.14 0.00 0.00 -0.00 0.00 0.00 52.55 51.95 2j45 s ASP 250 Cb -0.09 -1.36 0.00 0.00 -1.38 0.00 0.00 42.92 40.09 2j45 s ASP 250 CO 0.45 -0.17 0.00 0.00 -0.00 0.00 0.00 175.17 175.45 2j45 n ALA 251 N 4.58 1.26 0.10 2.11 0.00 -1.26 -5.02 120.51 122.28 2j45 n ALA 251 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2j45 n ALA 251 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2j45 n ALA 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2j45 n ARG 252 N -1.59 0.00 0.00 0.00 5.12 -1.26 -4.98 116.66 113.95 2j45 n ARG 252 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2j45 n ARG 252 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2j45 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2j45 n GLY 253 N -1.27 1.59 0.26 -0.13 0.00 -1.24 -4.42 105.19 99.98 2j45 n GLY 253 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2j45 n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j45 n GLY 254 N 0.00 -1.16 0.15 -0.02 0.00 0.67 -2.66 105.19 102.16 2j45 n GLY 254 Ca 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 2j45 n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j45 h ALA 255 N 1.49 0.26 -0.57 4.61 0.00 -1.83 -0.51 119.26 122.71 2j45 h ALA 255 Ca 0.39 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2j45 h ALA 255 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2j45 h ALA 255 CO -0.74 0.14 0.02 0.00 0.00 0.00 0.00 179.25 178.67 2j45 h ALA 256 N 0.65 0.96 0.00 0.00 0.00 -1.96 -0.21 119.26 118.70 2j45 h ALA 256 Ca 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2j45 h ALA 256 Cb 0.67 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2j45 h ALA 256 CO 0.04 0.63 -0.33 -0.07 0.00 0.00 0.00 179.25 179.52 2j45 h LEU 257 N 0.90 0.00 0.00 0.00 3.38 -1.25 -3.28 115.31 115.06 2j45 h LEU 257 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2j45 h LEU 257 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2j45 h LEU 257 CO 0.02 0.33 -0.82 -1.20 0.09 0.00 0.00 178.44 176.85 2j45 n SER 258 N -3.46 0.79 -0.10 -0.43 7.64 -0.23 -4.58 113.62 113.25 2j45 n SER 258 Ca 0.00 -0.84 -0.09 0.00 1.01 0.00 0.00 58.87 58.95 2j45 n SER 258 Cb 0.49 1.04 -0.01 0.00 -1.01 0.00 0.00 64.21 64.72 2j45 n SER 258 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j45 h ALA 259 N 2.28 0.43 -0.14 -0.43 0.00 -1.10 -0.39 119.26 119.92 2j45 h ALA 259 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2j45 h ALA 259 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2j45 h ALA 259 CO 0.00 -0.11 0.06 -0.09 0.00 0.00 0.00 179.25 179.11 2j45 h ARG 260 N 0.46 0.13 -0.36 0.00 2.43 -1.78 0.94 114.38 116.20 2j45 h ARG 260 Ca 0.13 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2j45 h ARG 260 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2j45 h ARG 260 CO -0.03 0.09 -0.01 1.25 -1.51 0.00 0.00 179.97 179.75 2j45 h HIS 261 N 0.14 0.71 0.16 2.20 2.76 -1.75 -1.74 115.15 117.62 2j45 h HIS 261 Ca 0.06 -0.13 -0.30 0.00 -2.20 0.00 0.00 60.37 57.80 2j45 h HIS 261 Cb 0.02 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 28.81 2j45 h HIS 261 CO -0.10 0.76 -1.50 0.28 -1.30 0.00 0.00 177.93 176.07 2j45 h VAL 262 N 0.46 1.06 0.00 5.26 2.07 -1.00 -3.40 116.25 120.69 2j45 h VAL 262 Ca 0.10 -2.48 -0.21 0.00 0.82 0.00 0.00 66.70 64.93 2j45 h VAL 262 Cb 0.48 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2j45 h VAL 262 CO 0.02 0.78 -2.18 0.35 0.02 0.00 0.00 177.57 176.55 2j45 n THR 263 N -3.79 0.79 -1.19 2.57 -2.24 0.31 -4.99 114.28 105.72 2j45 n THR 263 Ca -0.23 -0.69 -0.07 0.00 -2.27 0.00 0.00 64.05 60.80 2j45 n THR 263 Cb 0.98 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 2j45 n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j45 n GLY 264 N 1.59 0.84 3.76 3.38 0.00 -0.65 -5.02 105.19 109.10 2j45 n GLY 264 Ca -0.20 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2j45 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j45 s LYS 265 N -2.19 3.05 0.39 1.61 -0.14 -1.26 -5.02 119.74 116.18 2j45 s LYS 265 Ca 0.00 -0.45 -0.25 0.00 -1.36 0.00 0.00 55.97 53.91 2j45 s LYS 265 Cb 0.00 -2.85 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 2j45 s LYS 265 CO 0.00 0.67 1.10 -1.25 -0.76 0.00 0.00 175.35 175.11 2j45 s PRO 266 N -1.50 4.15 -0.41 -1.68 0.04 -1.26 -4.45 135.00 129.88 2j45 s PRO 266 Ca 0.20 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2j45 s PRO 266 Cb -0.12 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.80 2j45 s PRO 266 CO 0.10 -0.19 0.62 0.42 0.04 0.00 0.00 177.00 177.99 2j45 s ILE 267 N -1.52 4.87 -0.11 0.56 1.01 -1.26 -0.94 121.20 123.81 2j45 s ILE 267 Ca 0.57 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 2j45 s ILE 267 Cb -0.26 -4.14 -0.27 0.00 0.01 0.00 0.00 42.46 37.80 2j45 s ILE 267 CO 0.33 -0.48 0.49 1.88 0.00 0.00 0.00 174.94 177.17 2j45 h TYR 268 N 8.72 0.44 -3.89 3.97 0.05 -1.57 -3.42 116.97 121.27 2j45 h TYR 268 Ca -0.26 -0.32 -0.34 0.00 0.05 0.00 0.00 58.73 57.86 2j45 h TYR 268 Cb 1.10 -0.02 -0.20 0.00 1.01 0.00 0.00 36.73 38.62 2j45 h TYR 268 CO 0.73 1.62 -0.75 -0.06 -1.05 0.00 0.00 178.16 178.65 2j45 s PHE 269 N -2.50 0.99 0.00 4.88 0.40 -1.24 -1.85 117.98 118.66 2j45 s PHE 269 Ca -0.21 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 2j45 s PHE 269 Cb 0.05 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 43.02 2j45 s PHE 269 CO 0.76 -0.01 -0.04 0.00 0.70 0.00 0.00 175.22 176.63 2j45 s ALA 270 N -1.67 0.35 -0.19 5.36 0.00 0.75 -2.57 121.76 123.78 2j45 s ALA 270 Ca -0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 2j45 s ALA 270 Cb -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2j45 s ALA 270 CO 0.01 0.05 0.57 0.20 0.00 0.00 0.00 175.76 176.59 2j45 s GLY 271 N -0.38 2.08 -0.01 0.00 0.00 0.38 -1.91 107.32 107.49 2j45 s GLY 271 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.40 2j45 s GLY 271 CO -0.00 1.18 0.03 3.33 0.00 0.00 0.00 173.10 177.64 2j45 n VAL 272 N 4.58 0.03 -3.97 1.40 0.24 -0.41 -2.37 118.33 117.83 2j45 n VAL 272 Ca -0.03 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2j45 n VAL 272 Cb 0.50 0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 2j45 n VAL 272 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2j45 s SER 273 N -2.49 0.05 0.00 -1.34 1.04 -1.18 -4.41 113.70 105.37 2j45 s SER 273 Ca -0.01 -1.00 0.30 0.00 0.48 0.00 0.00 55.95 55.73 2j45 s SER 273 Cb 0.01 0.65 1.47 0.00 0.10 0.00 0.00 66.02 68.25 2j45 s SER 273 CO 0.08 -1.26 1.99 -0.62 0.98 0.00 0.00 173.24 174.40 2j45 n GLU 274 N -0.44 1.11 -1.87 4.02 -0.58 -1.26 -4.58 120.64 117.05 2j45 n GLU 274 Ca -0.02 -0.35 -0.32 0.00 -0.42 0.00 0.00 57.16 56.05 2j45 n GLU 274 Cb 0.61 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 30.01 2j45 n GLU 274 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2j45 s LYS 275 N -2.13 3.27 0.41 3.49 1.02 -1.26 -4.90 119.74 119.64 2j45 s LYS 275 Ca 0.40 1.01 0.10 0.00 0.02 0.00 0.00 55.97 57.50 2j45 s LYS 275 Cb 0.21 -2.03 0.92 0.00 -0.52 0.00 0.00 37.83 36.41 2j45 s LYS 275 CO 0.39 -0.84 2.00 -1.35 -0.92 0.00 0.00 175.35 174.63 2j45 h PRO 276 N -0.09 0.51 -0.06 -1.68 0.11 -2.01 0.40 132.00 129.19 2j45 h PRO 276 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2j45 h PRO 276 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2j45 h PRO 276 CO 0.58 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 177.86 2j45 n GLU 277 N -4.47 1.20 -0.05 1.05 0.00 -1.26 -4.45 120.64 112.66 2j45 n GLU 277 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 57.16 56.93 2j45 n GLU 277 Cb 0.24 -1.26 0.01 0.00 0.00 0.00 0.00 31.44 30.43 2j45 n GLU 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2j45 n GLY 278 N 0.82 1.95 2.93 -1.84 0.00 0.14 -4.60 105.19 104.59 2j45 n GLY 278 Ca 0.12 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2j45 n GLY 278 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2j45 s LEU 279 N -0.12 1.80 0.10 0.99 2.96 -1.26 -1.28 118.68 121.85 2j45 s LEU 279 Ca 0.02 -0.71 0.08 0.00 -0.22 0.00 0.00 54.13 53.31 2j45 s LEU 279 Cb 0.02 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2j45 s LEU 279 CO 0.00 -0.16 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.04 2j45 s GLU 280 N 1.56 1.20 0.32 1.98 2.02 -0.80 -4.95 118.70 120.03 2j45 s GLU 280 Ca 0.01 -1.15 -0.27 0.00 0.02 0.00 0.00 54.97 53.57 2j45 s GLU 280 Cb -0.15 -1.47 -0.13 0.00 0.10 0.00 0.00 34.13 32.47 2j45 s GLU 280 CO -0.08 0.35 0.99 -2.30 0.02 0.00 0.00 175.26 174.24 2j45 n PRO 281 N 1.18 1.32 -2.95 0.39 -0.02 -1.26 -0.18 135.00 133.48 2j45 n PRO 281 Ca -0.19 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 2j45 n PRO 281 Cb 0.53 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 2j45 n PRO 281 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2j45 s PHE 282 N -1.12 3.34 -0.35 6.00 5.36 -0.77 -4.62 117.98 125.82 2j45 s PHE 282 Ca 0.59 1.10 -0.03 0.00 -0.96 0.00 0.00 56.93 57.64 2j45 s PHE 282 Cb -0.67 -2.98 0.07 0.00 -0.34 0.00 0.00 43.02 39.11 2j45 s PHE 282 CO 0.59 -0.32 0.10 0.71 -1.46 0.00 0.00 175.22 174.84 2j45 s TYR 283 N 2.49 3.41 0.20 10.12 2.02 -1.26 -4.36 117.35 129.97 2j45 s TYR 283 Ca 0.34 -2.06 -0.11 0.00 -0.37 0.00 0.00 57.07 54.87 2j45 s TYR 283 Cb -0.16 -2.61 0.14 0.00 -0.40 0.00 0.00 41.96 38.93 2j45 s TYR 283 CO 0.09 -0.87 1.86 -1.35 -1.57 0.00 0.00 175.55 173.71 2j45 h PRO 284 N 8.04 0.86 -0.68 -1.71 0.11 -1.86 -1.71 132.00 135.06 2j45 h PRO 284 Ca -0.18 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 2j45 h PRO 284 Cb 1.06 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2j45 h PRO 284 CO 0.61 0.57 0.24 1.49 -0.21 0.00 0.00 178.00 180.69 2j45 h GLU 285 N 0.88 1.02 0.01 1.05 4.22 -1.86 -0.30 114.58 119.59 2j45 h GLU 285 Ca 0.25 -0.19 -0.20 0.00 0.08 0.00 0.00 59.36 59.30 2j45 h GLU 285 Cb -0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2j45 h GLU 285 CO -0.07 0.85 -0.90 -0.09 -2.18 0.00 0.00 179.01 176.63 2j45 h ARG 286 N 0.99 0.17 -0.37 1.92 2.43 -1.97 -2.50 114.38 115.06 2j45 h ARG 286 Ca 0.22 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 2j45 h ARG 286 Cb 0.24 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2j45 h ARG 286 CO -0.01 0.96 -0.37 1.25 -1.51 0.00 0.00 179.97 180.28 2j45 h LEU 287 N 0.09 0.96 -0.60 3.80 5.85 -1.15 -2.22 115.31 122.04 2j45 h LEU 287 Ca -0.04 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.27 2j45 h LEU 287 Cb 1.54 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 2j45 h LEU 287 CO 0.13 1.23 0.29 0.00 -0.34 0.00 0.00 178.44 179.76 2j45 h ALA 288 N 0.76 0.79 -0.67 1.25 0.00 -1.01 -0.58 119.26 119.80 2j45 h ALA 288 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2j45 h ALA 288 Cb 0.96 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2j45 h ALA 288 CO 0.09 -0.07 0.27 0.78 0.00 0.00 0.00 179.25 180.33 2j45 h GLY 289 N 0.54 1.08 1.82 0.00 0.00 -1.39 -2.79 103.07 102.33 2j45 h GLY 289 Ca 0.28 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 2j45 h GLY 289 CO -0.21 0.55 -0.58 3.21 0.00 0.00 0.00 176.54 179.50 2j45 h ARG 290 N 0.95 0.18 -0.72 4.80 3.08 -0.93 -1.27 114.38 120.47 2j45 h ARG 290 Ca 0.22 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.17 2j45 h ARG 290 Cb 0.20 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2j45 h ARG 290 CO -0.02 0.71 0.48 0.82 -1.07 0.00 0.00 179.97 180.89 2j45 h ILE 291 N 0.14 1.16 -0.13 2.04 2.04 -0.99 -2.47 117.51 119.29 2j45 h ILE 291 Ca -0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2j45 h ILE 291 Cb 1.07 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2j45 h ILE 291 CO 0.09 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.59 2j45 n LEU 292 N -4.44 1.23 0.00 1.44 4.77 -0.91 -4.34 117.00 114.75 2j45 n LEU 292 Ca 0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2j45 n LEU 292 Cb 0.07 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2j45 n LEU 292 CO 0.36 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2j45 n GLY 293 N 1.03 0.64 3.86 -0.72 0.00 -0.93 -4.91 105.19 104.17 2j45 n GLY 293 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2j45 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j45 s MET 294 N -0.18 3.87 3.03 1.61 -1.94 -0.53 -4.95 119.30 120.21 2j45 s MET 294 Ca 0.00 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2j45 s MET 294 Cb 0.00 -2.44 0.00 0.00 2.01 0.00 0.00 34.83 34.40 2j45 s MET 294 CO 0.00 0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.50 2j45 n GLY 295 N -0.80 -0.27 3.76 -0.03 0.00 -1.26 -4.02 105.19 102.56 2j45 n GLY 295 Ca 0.03 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 2j45 n GLY 295 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j45 s ASP 296 N -4.00 7.11 0.00 1.61 1.01 -1.26 -5.09 116.67 116.06 2j45 s ASP 296 Ca 0.00 2.40 0.00 0.00 0.71 0.00 0.00 52.55 55.66 2j45 s ASP 296 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2j45 s ASP 296 CO 0.00 -0.27 0.00 1.33 0.21 0.00 0.00 175.17 176.44