#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 -2.00 -0.07 3.17 3.72 -0.37 -4.88 117.46 117.04 2j45 n PHE 2 Ca 0.00 0.79 -0.12 0.00 -0.05 0.00 0.00 57.45 58.07 2j45 n PHE 2 Cb 0.00 -4.41 -0.05 0.00 -0.94 0.00 0.00 39.48 34.08 2j45 n PHE 2 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2j45 h GLN 3 N -1.80 0.38 -0.50 -1.08 4.15 -1.70 0.27 115.11 114.84 2j45 h GLN 3 Ca -0.47 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 58.83 2j45 h GLN 3 Cb 1.28 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 2j45 h GLN 3 CO 0.42 0.60 0.31 1.96 -1.93 0.00 0.00 178.83 180.20 2j45 h GLN 4 N 0.12 0.61 -0.18 1.69 4.20 -1.87 -1.76 115.11 117.93 2j45 h GLN 4 Ca 0.06 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2j45 h GLN 4 Cb 0.44 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2j45 h GLN 4 CO 0.02 0.40 -0.30 1.25 -0.67 0.00 0.00 178.83 179.53 2j45 h LEU 5 N 0.63 0.57 -0.61 1.46 5.85 -1.72 -3.04 115.31 118.45 2j45 h LEU 5 Ca 0.19 -0.53 0.10 0.00 0.84 0.00 0.00 57.88 58.48 2j45 h LEU 5 Cb -0.03 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 2j45 h LEU 5 CO -0.06 0.99 0.21 -1.28 -0.34 0.00 0.00 178.44 177.96 2j45 h SER 6 N 0.16 0.18 -0.52 1.25 0.87 -0.85 -2.08 113.55 112.56 2j45 h SER 6 Ca 0.01 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2j45 h SER 6 Cb 0.88 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2j45 h SER 6 CO 0.07 0.10 0.29 0.00 -0.53 0.00 0.00 176.83 176.76 2j45 h ALA 7 N 1.44 0.66 -0.41 6.23 0.00 -1.29 -0.66 119.26 125.24 2j45 h ALA 7 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2j45 h ALA 7 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2j45 h ALA 7 CO -0.33 0.17 -0.22 0.00 0.00 0.00 0.00 179.25 178.87 2j45 h ARG 8 N 0.69 0.87 -0.37 0.00 3.08 -1.36 -0.20 114.38 117.09 2j45 h ARG 8 Ca 0.18 -0.39 -0.15 0.00 0.07 0.00 0.00 59.98 59.69 2j45 h ARG 8 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2j45 h ARG 8 CO -0.03 1.03 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.46 2j45 h LEU 9 N 0.69 0.95 -0.79 3.04 3.38 -1.33 0.07 115.31 121.31 2j45 h LEU 9 Ca 0.09 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2j45 h LEU 9 Cb 0.79 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2j45 h LEU 9 CO 0.06 1.22 0.02 1.56 0.09 0.00 0.00 178.44 181.39 2j45 h GLN 10 N 0.74 0.93 -0.20 1.13 4.20 -0.99 -1.54 115.11 119.38 2j45 h GLN 10 Ca 0.06 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2j45 h GLN 10 Cb 0.96 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2j45 h GLN 10 CO 0.09 0.91 0.03 1.49 -0.67 0.00 0.00 178.83 180.68 2j45 h GLU 11 N 0.86 0.33 -0.82 1.46 4.57 -0.86 0.27 114.58 120.39 2j45 h GLU 11 Ca 0.16 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 2j45 h GLU 11 Cb 0.48 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 2j45 h GLU 11 CO 0.02 0.49 0.54 0.00 -1.18 0.00 0.00 179.01 178.88 2j45 h ALA 12 N 0.83 1.56 0.04 2.92 0.00 -0.71 -0.68 119.26 123.22 2j45 h ALA 12 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2j45 h ALA 12 Cb 0.32 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2j45 h ALA 12 CO 0.00 0.33 -0.32 0.82 0.00 0.00 0.00 179.25 180.08 2j45 h ILE 13 N 0.94 1.64 -0.10 0.00 2.04 -1.27 -3.38 117.51 117.39 2j45 h ILE 13 Ca 0.34 -2.28 -0.07 0.00 1.00 0.00 0.00 64.86 63.86 2j45 h ILE 13 Cb 0.15 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 2j45 h ILE 13 CO -0.11 0.62 -0.24 1.23 0.00 0.00 0.00 178.15 179.65 2j45 h GLY 14 N -0.66 0.18 2.00 5.37 0.00 -0.47 -2.07 103.07 107.42 2j45 h GLY 14 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2j45 h GLY 14 CO 0.06 0.12 0.00 -0.96 0.00 0.00 0.00 176.54 175.76 2j45 n ARG 15 N -4.20 0.16 0.13 4.80 1.85 -0.30 -1.61 116.66 117.49 2j45 n ARG 15 Ca -0.01 0.52 0.06 0.00 -1.00 0.00 0.00 57.85 57.42 2j45 n ARG 15 Cb 0.33 -1.89 0.04 0.00 -1.05 0.00 0.00 32.46 29.89 2j45 n ARG 15 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2j45 h LEU 16 N 0.00 0.00 -9.70 2.89 3.38 -1.58 -3.46 115.31 106.84 2j45 h LEU 16 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2j45 h LEU 16 Cb 0.18 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.99 2j45 h LEU 16 CO 0.00 0.28 0.89 -0.13 0.09 0.00 0.00 178.44 179.58 2j45 s ARG 17 N -3.10 4.17 0.00 1.13 0.52 -0.63 -2.48 118.95 118.55 2j45 s ARG 17 Ca 0.02 2.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 2j45 s ARG 17 Cb 0.08 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.46 2j45 s ARG 17 CO 0.75 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.86 2j45 n GLY 18 N 3.05 0.36 0.61 -3.53 0.00 -1.26 -4.86 105.19 99.55 2j45 n GLY 18 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.42 1.61 0.00 1.61 1.74 -1.04 -5.09 116.66 114.07 2j45 n ARG 19 Ca 0.00 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.78 2j45 n ARG 19 Cb 0.14 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.14 -1.77 3.75 -0.13 0.00 -1.26 -4.96 105.19 101.96 2j45 n GLY 20 Ca 0.10 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 3.02 -0.12 1.61 0.52 -1.26 -4.53 118.95 118.19 2j45 s ARG 21 Ca 0.00 2.17 -0.04 0.00 -0.52 0.00 0.00 55.73 57.34 2j45 s ARG 21 Cb 0.00 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2j45 s ARG 21 CO 0.00 -1.27 0.03 -1.50 0.02 0.00 0.00 175.30 172.58 2j45 s ILE 22 N -1.34 4.52 0.63 1.52 2.07 -1.26 -5.07 121.20 122.27 2j45 s ILE 22 Ca 0.74 -0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 2j45 s ILE 22 Cb -0.39 -2.95 -0.03 0.00 0.13 0.00 0.00 42.46 39.21 2j45 s ILE 22 CO 0.45 0.56 1.03 0.42 -1.91 0.00 0.00 174.94 175.49 2j45 s THR 23 N -0.43 4.52 0.29 4.00 -4.23 -1.26 -4.68 115.64 113.84 2j45 s THR 23 Ca 0.09 0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 2j45 s THR 23 Cb -0.12 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.25 2j45 s THR 23 CO 0.02 -1.03 1.92 -0.08 -0.54 0.00 0.00 174.62 174.91 2j45 h GLU 24 N -0.30 1.06 -0.42 3.99 4.81 -1.99 0.15 114.58 121.88 2j45 h GLU 24 Ca -0.44 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2j45 h GLU 24 Cb 1.19 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 2j45 h GLU 24 CO 0.61 0.70 0.17 0.93 -0.73 0.00 0.00 179.01 180.69 2j45 h GLU 25 N 1.09 0.35 -0.23 1.92 3.07 -1.99 0.12 114.58 118.90 2j45 h GLU 25 Ca 0.38 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.11 2j45 h GLU 25 Cb 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2j45 h GLU 25 CO -0.13 0.23 -0.33 -0.44 -1.40 0.00 0.00 179.01 176.94 2j45 h ASP 26 N 0.36 0.50 -0.21 1.42 3.32 -1.61 -1.55 116.42 118.65 2j45 h ASP 26 Ca 0.19 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2j45 h ASP 26 Cb 0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2j45 h ASP 26 CO -0.17 0.80 0.04 0.25 -1.72 0.00 0.00 179.24 178.44 2j45 h LEU 27 N 0.42 0.33 -0.87 1.55 5.85 -0.54 -0.97 115.31 121.08 2j45 h LEU 27 Ca 0.05 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2j45 h LEU 27 Cb 0.78 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2j45 h LEU 27 CO 0.06 0.50 0.58 0.11 -0.34 0.00 0.00 178.44 179.35 2j45 h LYS 28 N 0.15 1.14 0.02 1.25 1.79 -0.85 -0.82 116.57 119.25 2j45 h LYS 28 Ca 0.06 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2j45 h LYS 28 Cb 0.31 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2j45 h LYS 28 CO 0.00 0.75 -0.01 0.00 -1.08 0.00 0.00 179.45 179.11 2j45 h ALA 29 N 1.32 -0.03 -0.69 3.86 0.00 -0.98 -0.14 119.26 122.60 2j45 h ALA 29 Ca 0.32 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2j45 h ALA 29 Cb -0.12 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 2j45 h ALA 29 CO -0.07 -0.49 0.21 1.15 0.00 0.00 0.00 179.25 180.04 2j45 h THR 30 N -0.09 0.63 -0.71 0.00 2.02 -0.95 -1.67 112.91 112.13 2j45 h THR 30 Ca -0.00 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2j45 h THR 30 Cb 0.08 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 2j45 h THR 30 CO 0.01 0.06 0.19 -0.07 0.37 0.00 0.00 175.52 176.08 2j45 h LEU 31 N 0.34 1.06 -0.40 2.58 3.38 -0.80 -0.88 115.31 120.58 2j45 h LEU 31 Ca 0.37 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2j45 h LEU 31 Cb 0.57 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2j45 h LEU 31 CO -0.42 1.01 0.10 0.03 0.09 0.00 0.00 178.44 179.24 2j45 h ARG 32 N 1.06 0.23 -0.65 1.13 3.08 -0.43 -0.61 114.38 118.19 2j45 h ARG 32 Ca 0.23 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 2j45 h ARG 32 Cb 0.35 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2j45 h ARG 32 CO -0.00 0.15 0.08 1.49 -1.07 0.00 0.00 179.97 180.62 2j45 h GLU 33 N 0.23 1.09 -0.53 0.04 4.57 -0.87 0.21 114.58 119.32 2j45 h GLU 33 Ca 0.19 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2j45 h GLU 33 Cb 0.21 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2j45 h GLU 33 CO -0.23 1.01 0.28 0.82 -1.18 0.00 0.00 179.01 179.71 2j45 h ILE 34 N 1.01 1.18 -0.56 2.32 2.04 -0.87 0.66 117.51 123.30 2j45 h ILE 34 Ca 0.20 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2j45 h ILE 34 Cb 0.47 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2j45 h ILE 34 CO 0.02 0.20 0.25 -0.09 0.00 0.00 0.00 178.15 178.52 2j45 h ARG 35 N 0.71 0.82 -0.57 2.37 2.43 -0.64 -0.99 114.38 118.52 2j45 h ARG 35 Ca 0.19 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2j45 h ARG 35 Cb 0.07 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2j45 h ARG 35 CO -0.03 0.69 0.36 -0.09 -1.51 0.00 0.00 179.97 179.39 2j45 h ARG 36 N 0.76 0.76 -0.46 0.20 2.43 -0.24 -1.82 114.38 116.01 2j45 h ARG 36 Ca 0.19 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2j45 h ARG 36 Cb 0.16 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2j45 h ARG 36 CO -0.02 0.53 0.21 0.00 -1.51 0.00 0.00 179.97 179.19 2j45 h ALA 37 N 1.19 0.60 -0.76 2.80 0.00 -0.50 -1.38 119.26 121.20 2j45 h ALA 37 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2j45 h ALA 37 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2j45 h ALA 37 CO -0.04 0.17 0.37 -0.07 0.00 0.00 0.00 179.25 179.68 2j45 h LEU 38 N 0.60 0.99 -0.60 0.00 3.38 -1.08 -1.96 115.31 116.64 2j45 h LEU 38 Ca 0.16 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2j45 h LEU 38 Cb 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2j45 h LEU 38 CO -0.02 0.85 0.37 0.24 0.09 0.00 0.00 178.44 179.97 2j45 h MET 39 N 1.07 0.69 0.00 1.13 2.86 -0.96 -1.23 114.93 118.50 2j45 h MET 39 Ca 0.26 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2j45 h MET 39 Cb 0.12 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2j45 h MET 39 CO -0.03 0.46 0.00 -3.47 1.06 0.00 0.00 176.91 174.93 2j45 n ASP 40 N -4.74 0.00 -1.00 1.22 2.03 -0.55 -1.16 116.55 112.35 2j45 n ASP 40 Ca 0.06 0.37 0.08 0.00 0.52 0.00 0.00 54.79 55.82 2j45 n ASP 40 Cb 0.09 -0.45 0.24 0.00 -0.72 0.00 0.00 41.12 40.28 2j45 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j45 n ALA 41 N -1.45 2.44 -2.66 -1.67 0.00 -0.53 -4.93 120.51 111.71 2j45 n ALA 41 Ca 0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 52.36 2j45 n ALA 41 Cb 0.23 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 1.05 -5.54 -4.75 0.00 2.03 -0.31 -1.62 116.55 107.41 2j45 n ASP 42 Ca 0.18 -0.14 -0.41 0.00 0.52 0.00 0.00 54.79 54.94 2j45 n ASP 42 Cb 0.46 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 36.35 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 -3.03 3.44 0.32 5.18 1.01 -0.79 -4.28 120.40 122.25 2j45 s VAL 43 Ca 0.14 1.38 -0.28 0.00 0.00 0.00 0.00 61.98 63.22 2j45 s VAL 43 Cb -0.06 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 2j45 s VAL 43 CO 0.18 0.30 1.19 -3.20 0.00 0.00 0.00 175.10 173.57 2j45 n ASN 44 N 1.50 2.21 -0.18 3.32 2.85 -1.26 -4.63 115.26 119.08 2j45 n ASN 44 Ca 0.00 1.19 -0.08 0.00 -0.11 0.00 0.00 54.58 55.59 2j45 n ASN 44 Cb 0.44 -1.41 0.01 0.00 1.24 0.00 0.00 39.78 40.07 2j45 n ASN 44 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2j45 h LEU 45 N 2.42 0.67 -0.79 1.20 5.85 -1.97 -0.23 115.31 122.46 2j45 h LEU 45 Ca -0.44 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 2j45 h LEU 45 Cb 1.30 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2j45 h LEU 45 CO 0.62 0.62 0.35 -0.08 -0.34 0.00 0.00 178.44 179.61 2j45 h GLU 46 N 0.67 1.16 -0.32 1.25 4.81 -1.99 -0.88 114.58 119.28 2j45 h GLU 46 Ca 0.17 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2j45 h GLU 46 Cb 0.13 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2j45 h GLU 46 CO -0.02 0.92 0.16 0.28 -0.73 0.00 0.00 179.01 179.61 2j45 h VAL 47 N 1.13 0.98 -0.60 0.32 2.07 -1.71 -0.42 116.25 118.02 2j45 h VAL 47 Ca 0.27 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2j45 h VAL 47 Cb 0.16 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2j45 h VAL 47 CO -0.03 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.00 2j45 h ALA 48 N 1.17 0.76 -0.48 1.67 0.00 -0.55 0.62 119.26 122.45 2j45 h ALA 48 Ca 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2j45 h ALA 48 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2j45 h ALA 48 CO -0.10 0.21 0.03 0.00 0.00 0.00 0.00 179.25 179.39 2j45 h ARG 49 N 0.81 0.83 -0.39 0.00 3.08 -1.01 -2.50 114.38 115.20 2j45 h ARG 49 Ca 0.22 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2j45 h ARG 49 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2j45 h ARG 49 CO -0.04 0.86 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.20 2j45 h ASP 50 N 0.69 0.63 0.01 7.04 3.32 -0.83 -1.91 116.42 125.38 2j45 h ASP 50 Ca 0.14 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2j45 h ASP 50 Cb 0.47 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2j45 h ASP 50 CO 0.02 0.75 -0.00 0.15 -1.72 0.00 0.00 179.24 178.44 2j45 h PHE 51 N 0.61 -0.01 0.00 4.55 3.04 -0.67 -0.10 116.94 124.35 2j45 h PHE 51 Ca 0.11 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 2j45 h PHE 51 Cb 0.49 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2j45 h PHE 51 CO 0.02 0.07 -0.11 -0.39 -2.02 0.00 0.00 178.31 175.88 2j45 h VAL 52 N -0.09 0.21 -0.33 1.41 -1.51 -1.34 -1.08 116.25 113.52 2j45 h VAL 52 Ca -0.00 -1.03 -0.08 0.00 -1.23 0.00 0.00 66.70 64.36 2j45 h VAL 52 Cb 0.08 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 2j45 h VAL 52 CO 0.00 0.10 -0.10 -0.08 -1.23 0.00 0.00 177.57 176.27 2j45 h GLU 53 N 0.00 0.65 0.35 5.19 4.57 -1.14 -1.33 114.58 122.87 2j45 h GLU 53 Ca -0.00 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2j45 h GLU 53 Cb 0.86 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2j45 h GLU 53 CO 0.01 0.83 -0.30 -0.09 -1.18 0.00 0.00 179.01 178.29 2j45 h ARG 54 N 0.43 -0.64 -0.67 1.92 9.65 -0.61 -1.16 114.38 123.30 2j45 h ARG 54 Ca 0.08 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.09 2j45 h ARG 54 Cb 0.60 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 29.26 2j45 h ARG 54 CO 0.04 -0.43 0.32 0.28 2.80 0.00 0.00 179.97 182.98 2j45 h VAL 55 N -0.66 0.84 0.71 0.20 2.07 -1.24 -0.48 116.25 117.69 2j45 h VAL 55 Ca -0.02 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2j45 h VAL 55 Cb 0.59 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2j45 h VAL 55 CO -0.03 0.10 -0.50 -0.09 0.02 0.00 0.00 177.57 177.07 2j45 h ARG 56 N 0.55 -1.11 -0.66 1.57 2.43 -1.02 0.15 114.38 116.29 2j45 h ARG 56 Ca 0.33 0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 2j45 h ARG 56 Cb 0.34 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 2j45 h ARG 56 CO -0.26 -0.74 0.31 1.49 -1.51 0.00 0.00 179.97 179.25 2j45 h GLU 57 N -1.15 0.52 -0.13 0.20 4.81 -0.68 -1.08 114.58 117.07 2j45 h GLU 57 Ca -0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2j45 h GLU 57 Cb 0.94 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2j45 h GLU 57 CO 0.05 0.34 -0.14 0.93 -0.73 0.00 0.00 179.01 179.47 2j45 h GLU 58 N 0.53 0.32 -0.76 1.92 4.39 -0.90 0.28 114.58 120.37 2j45 h GLU 58 Ca 0.33 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.92 2j45 h GLU 58 Cb 0.36 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2j45 h GLU 58 CO -0.27 0.72 0.44 0.00 -1.16 0.00 0.00 179.01 178.74 2j45 h ALA 59 N 0.59 1.04 -0.30 3.43 0.00 -0.62 0.42 119.26 123.82 2j45 h ALA 59 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2j45 h ALA 59 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2j45 h ALA 59 CO 0.03 0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 179.34 2j45 h LEU 60 N 0.80 0.43 -1.29 0.00 3.38 -0.93 -1.65 115.31 116.06 2j45 h LEU 60 Ca 0.34 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 2j45 h LEU 60 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2j45 h LEU 60 CO -0.19 0.51 -0.29 1.23 0.09 0.00 0.00 178.44 179.80 2j45 h GLY 61 N 0.79 0.00 -2.42 0.83 0.00 0.62 -2.41 103.07 100.48 2j45 h GLY 61 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2j45 h GLY 61 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 2j45 n LYS 62 N -3.66 3.11 -2.32 4.80 5.02 -0.02 -4.96 118.16 120.14 2j45 n LYS 62 Ca -0.01 -2.04 -0.08 0.00 -2.02 0.00 0.00 58.31 54.16 2j45 n LYS 62 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.65 -1.17 0.09 1.97 6.02 -0.91 -4.92 117.38 119.11 2j45 n GLN 63 Ca 0.18 0.37 0.08 0.00 -0.01 0.00 0.00 57.00 57.62 2j45 n GLN 63 Cb 0.72 -4.21 0.54 0.00 1.02 0.00 0.00 30.24 28.31 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 -0.23 1.01 0.00 5.09 3.04 -1.51 0.21 116.25 123.85 2j45 h VAL 64 Ca -0.19 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2j45 h VAL 64 Cb 1.14 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2j45 h VAL 64 CO 0.22 0.05 0.00 0.18 -1.01 0.00 0.00 177.57 177.01 2j45 n LEU 65 N -4.49 0.42 0.02 3.16 4.77 -1.26 -2.81 117.00 116.80 2j45 n LEU 65 Ca 0.02 0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2j45 n LEU 65 Cb 0.16 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2j45 n LEU 65 CO 0.35 -0.20 -0.42 -0.62 -1.33 0.00 0.00 177.39 175.17 2j45 n GLU 66 N -1.91 0.63 -2.16 3.23 4.71 0.70 -4.66 120.64 121.18 2j45 n GLU 66 Ca 0.05 0.17 -0.41 0.00 -0.01 0.00 0.00 57.16 56.96 2j45 n GLU 66 Cb 0.33 -1.76 -0.02 0.00 -1.01 0.00 0.00 31.44 28.98 2j45 n GLU 66 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2j45 s SER 67 N -5.65 6.83 0.20 1.62 0.15 -1.00 -4.91 113.70 110.94 2j45 s SER 67 Ca -0.04 2.63 0.24 0.00 0.70 0.00 0.00 55.95 59.48 2j45 s SER 67 Cb 0.09 -2.64 0.91 0.00 -1.71 0.00 0.00 66.02 62.66 2j45 s SER 67 CO 0.82 -0.50 1.73 0.18 1.20 0.00 0.00 173.24 176.68 2j45 n LEU 68 N 0.98 0.61 -3.13 3.45 4.77 -1.26 -4.06 117.00 118.36 2j45 n LEU 68 Ca 0.00 0.60 -0.24 0.00 -0.03 0.00 0.00 56.01 56.35 2j45 n LEU 68 Cb 0.42 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2j45 n LEU 68 CO 0.59 -0.34 -0.03 0.35 -1.33 0.00 0.00 177.39 176.62 2j45 n THR 69 N -2.12 1.53 0.23 -5.08 -2.24 -1.26 -4.25 114.28 101.09 2j45 n THR 69 Ca 0.04 -5.03 0.07 0.00 -2.27 0.00 0.00 64.05 56.86 2j45 n THR 69 Cb 0.31 -1.29 0.60 0.00 -2.10 0.00 0.00 70.33 67.85 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 3.35 0.05 -0.62 -0.78 0.13 -1.80 -0.82 132.00 131.51 2j45 h PRO 70 Ca 0.13 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.32 2j45 h PRO 70 Cb 0.71 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.80 2j45 h PRO 70 CO 0.69 0.06 0.41 0.00 -0.23 0.00 0.00 178.00 178.92 2j45 h ALA 71 N 1.95 1.82 -0.57 -0.56 0.00 -1.87 -0.92 119.26 119.11 2j45 h ALA 71 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2j45 h ALA 71 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2j45 h ALA 71 CO 0.00 0.08 0.11 0.93 0.00 0.00 0.00 179.25 180.37 2j45 h GLU 72 N 0.59 0.94 -0.41 0.00 5.08 -1.53 -0.04 114.58 119.21 2j45 h GLU 72 Ca 0.27 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2j45 h GLU 72 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2j45 h GLU 72 CO -0.08 0.89 -0.12 0.28 -1.00 0.00 0.00 179.01 178.98 2j45 h VAL 73 N 0.83 1.28 -0.11 3.13 2.07 -1.42 -1.70 116.25 120.33 2j45 h VAL 73 Ca 0.17 -1.23 -0.16 0.00 0.82 0.00 0.00 66.70 66.31 2j45 h VAL 73 Cb 0.40 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2j45 h VAL 73 CO 0.01 0.41 -0.63 0.40 0.02 0.00 0.00 177.57 177.78 2j45 h ILE 74 N 0.61 1.36 -0.24 4.57 2.04 -1.13 -1.53 117.51 123.20 2j45 h ILE 74 Ca 0.10 -1.97 0.03 0.00 1.00 0.00 0.00 64.86 64.02 2j45 h ILE 74 Cb 0.65 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2j45 h ILE 74 CO 0.04 0.59 0.05 0.25 0.00 0.00 0.00 178.15 179.09 2j45 h LEU 75 N 0.29 0.03 -0.74 1.44 5.85 -0.90 -0.40 115.31 120.89 2j45 h LEU 75 Ca -0.01 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2j45 h LEU 75 Cb 1.17 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2j45 h LEU 75 CO 0.11 0.05 0.27 0.00 -0.34 0.00 0.00 178.44 178.52 2j45 h ALA 76 N 1.17 0.96 0.01 1.25 0.00 -1.02 0.29 119.26 121.91 2j45 h ALA 76 Ca 0.11 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2j45 h ALA 76 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2j45 h ALA 76 CO -0.13 0.61 -0.87 1.79 0.00 0.00 0.00 179.25 180.65 2j45 h THR 77 N 1.08 1.57 -0.25 0.00 1.35 -1.17 -1.39 112.91 114.09 2j45 h THR 77 Ca 0.24 -2.81 -0.18 0.00 -0.55 0.00 0.00 66.41 63.11 2j45 h THR 77 Cb 0.25 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2j45 h THR 77 CO -0.01 0.81 -0.56 0.58 -0.25 0.00 0.00 175.52 176.08 2j45 h VAL 78 N 0.03 1.29 -0.22 6.82 2.07 -0.92 -2.46 116.25 122.86 2j45 h VAL 78 Ca -0.02 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 65.75 2j45 h VAL 78 Cb 1.51 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2j45 h VAL 78 CO 0.12 0.57 0.10 0.22 0.02 0.00 0.00 177.57 178.60 2j45 h TYR 79 N 0.58 0.19 -0.28 1.57 3.20 -0.85 0.46 116.97 121.84 2j45 h TYR 79 Ca 0.01 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2j45 h TYR 79 Cb 1.15 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2j45 h TYR 79 CO 0.06 0.10 0.13 1.49 -1.64 0.00 0.00 178.16 178.30 2j45 h GLU 80 N 0.22 0.27 -0.50 1.82 4.22 -1.24 -1.37 114.58 118.00 2j45 h GLU 80 Ca 0.09 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.42 2j45 h GLU 80 Cb 0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2j45 h GLU 80 CO -0.07 0.18 -0.09 0.00 -2.18 0.00 0.00 179.01 176.85 2j45 h ALA 81 N 1.15 0.89 -0.17 2.92 0.00 -1.08 -1.12 119.26 121.85 2j45 h ALA 81 Ca 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2j45 h ALA 81 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2j45 h ALA 81 CO -0.09 0.64 0.05 -0.07 0.00 0.00 0.00 179.25 179.79 2j45 h LEU 82 N 0.83 0.25 -0.41 0.00 3.38 -0.72 -0.40 115.31 118.23 2j45 h LEU 82 Ca 0.14 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2j45 h LEU 82 Cb 0.61 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2j45 h LEU 82 CO 0.04 0.38 0.01 0.50 0.09 0.00 0.00 178.44 179.47 2j45 h LYS 83 N 0.10 0.12 -0.54 1.13 3.64 -0.82 -0.88 116.57 119.32 2j45 h LYS 83 Ca 0.05 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 2j45 h LYS 83 Cb 0.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2j45 h LYS 83 CO -0.00 0.08 -0.07 1.49 -2.27 0.00 0.00 179.45 178.67 2j45 h GLU 84 N 0.12 1.00 -0.56 1.90 4.57 -1.13 -0.36 114.58 120.13 2j45 h GLU 84 Ca 0.20 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 2j45 h GLU 84 Cb 0.28 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2j45 h GLU 84 CO -0.32 1.04 0.20 0.00 -1.18 0.00 0.00 179.01 178.74 2j45 h ALA 85 N 0.93 1.29 0.00 2.92 0.00 -0.65 -2.72 119.26 121.03 2j45 h ALA 85 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2j45 h ALA 85 Cb 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2j45 h ALA 85 CO 0.04 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.09 2j45 n LEU 86 N -4.31 0.00 0.00 0.00 4.77 -0.37 -4.25 117.00 112.84 2j45 n LEU 86 Ca 0.05 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2j45 n LEU 86 Cb 0.18 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2j45 n LEU 86 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2j45 n GLY 87 N 1.17 -0.03 0.00 -0.72 0.00 -1.03 -4.71 105.19 99.87 2j45 n GLY 87 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.46 3.86 -0.02 0.00 -0.17 -4.83 105.19 107.49 2j45 n GLY 88 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.08 3.92 0.66 1.61 -1.05 -1.26 -3.94 118.70 115.55 2j45 s GLU 89 Ca 0.00 0.57 -0.17 0.00 -0.15 0.00 0.00 54.97 55.22 2j45 s GLU 89 Cb 0.00 -2.44 -0.03 0.00 -0.44 0.00 0.00 34.13 31.21 2j45 s GLU 89 CO 0.00 0.12 0.83 0.00 0.95 0.00 0.00 175.26 177.16 2j45 n ALA 90 N -0.60 -0.42 -3.09 -0.84 0.00 -1.26 -4.90 120.51 109.40 2j45 n ALA 90 Ca 0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 2j45 n ALA 90 Cb 0.53 -2.03 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 2j45 n ALA 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2j45 s ARG 91 N -2.86 0.06 0.13 0.00 3.52 -1.26 -5.09 118.95 113.45 2j45 s ARG 91 Ca 0.73 0.12 0.05 0.00 -0.13 0.00 0.00 55.73 56.49 2j45 s ARG 91 Cb -0.38 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.95 2j45 s ARG 91 CO 0.50 -0.04 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.34 2j45 s LEU 92 N 0.23 2.46 0.73 -0.88 1.43 -1.26 -4.45 118.68 116.94 2j45 s LEU 92 Ca -0.02 -0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 52.03 2j45 s LEU 92 Cb -0.03 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.83 2j45 s LEU 92 CO -0.01 -0.26 1.12 -2.65 0.23 0.00 0.00 176.35 174.78 2j45 n PRO 93 N 0.22 0.55 -2.68 1.29 -0.02 -1.26 -4.94 135.00 128.16 2j45 n PRO 93 Ca -0.13 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 2j45 n PRO 93 Cb 0.59 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2j45 n PRO 93 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2j45 s VAL 94 N -1.81 4.77 -0.06 -1.45 1.01 -1.26 -5.02 120.40 116.58 2j45 s VAL 94 Ca 0.76 2.02 -0.15 0.00 0.00 0.00 0.00 61.98 64.61 2j45 s VAL 94 Cb -0.34 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 2j45 s VAL 94 CO 0.48 0.04 0.38 -0.76 0.00 0.00 0.00 175.10 175.24 2j45 s LEU 95 N 1.78 4.38 0.00 3.92 1.43 -1.26 -5.09 118.68 123.84 2j45 s LEU 95 Ca 0.50 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 2j45 s LEU 95 Cb -0.19 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2j45 s LEU 95 CO 0.21 0.22 0.04 0.29 0.23 0.00 0.00 176.35 177.34 2j45 n LYS 96 N 2.56 1.47 0.10 1.70 5.02 -1.26 -5.05 118.16 122.70 2j45 n LYS 96 Ca -0.13 -1.27 0.01 0.00 -2.02 0.00 0.00 58.31 54.90 2j45 n LYS 96 Cb 0.52 0.28 0.32 0.00 -0.02 0.00 0.00 35.03 36.14 2j45 n LYS 96 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2j45 h ASP 97 N 0.37 0.25 -3.25 4.39 3.45 -1.98 -3.41 116.42 116.24 2j45 h ASP 97 Ca -0.14 -0.07 -0.49 0.00 0.43 0.00 0.00 57.03 56.76 2j45 h ASP 97 Cb 0.45 -0.07 -0.37 0.00 -0.56 0.00 0.00 39.33 38.78 2j45 h ASP 97 CO 0.23 0.49 -0.79 -0.13 -1.57 0.00 0.00 179.24 177.47 2j45 s ARG 98 N -4.52 1.18 0.00 3.56 3.00 -1.26 -4.73 118.95 116.18 2j45 s ARG 98 Ca -0.05 -0.14 0.05 0.00 0.00 0.00 0.00 55.73 55.59 2j45 s ARG 98 Cb 0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 34.95 33.78 2j45 s ARG 98 CO 0.75 -0.23 -0.15 -0.80 0.00 0.00 0.00 175.30 174.87 2j45 s ASN 99 N 1.62 1.72 -0.15 0.23 0.01 0.01 -5.03 114.94 113.34 2j45 s ASN 99 Ca 0.02 -0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 51.82 2j45 s ASN 99 Cb -0.13 -0.17 0.05 0.00 0.41 0.00 0.00 41.25 41.41 2j45 s ASN 99 CO -0.05 0.14 0.03 -0.22 -1.51 0.00 0.00 177.10 175.49 2j45 s LEU 100 N -0.57 0.90 0.04 0.60 0.20 -1.26 -0.63 118.68 117.96 2j45 s LEU 100 Ca 0.05 -0.57 0.08 0.00 0.69 0.00 0.00 54.13 54.38 2j45 s LEU 100 Cb -0.06 -0.51 -0.03 0.00 -0.43 0.00 0.00 46.19 45.16 2j45 s LEU 100 CO 0.00 -0.28 -0.22 0.26 -0.29 0.00 0.00 176.35 175.83 2j45 s TRP 101 N 1.92 2.46 0.03 5.38 0.51 0.50 -0.47 118.94 129.28 2j45 s TRP 101 Ca 0.01 -0.32 -0.11 0.00 -2.12 0.00 0.00 56.10 53.56 2j45 s TRP 101 Cb -0.15 -1.43 -0.05 0.00 -0.81 0.00 0.00 33.47 31.02 2j45 s TRP 101 CO -0.07 0.20 0.37 -0.06 -0.51 0.00 0.00 176.95 176.88 2j45 s PHE 102 N -0.88 3.63 -0.18 -1.98 0.40 -0.31 -0.61 117.98 118.04 2j45 s PHE 102 Ca 0.13 0.80 -0.08 0.00 -0.60 0.00 0.00 56.93 57.19 2j45 s PHE 102 Cb -0.10 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 2j45 s PHE 102 CO 0.04 0.58 0.08 -0.51 0.70 0.00 0.00 175.22 176.11 2j45 s LEU 103 N -1.58 3.93 0.17 -0.37 2.01 0.31 -0.48 118.68 122.67 2j45 s LEU 103 Ca 0.28 0.14 0.04 0.00 0.01 0.00 0.00 54.13 54.60 2j45 s LEU 103 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 46.19 44.01 2j45 s LEU 103 CO 0.15 0.19 -0.07 0.68 1.01 0.00 0.00 176.35 178.31 2j45 s VAL 104 N 0.28 1.10 0.00 -1.59 -7.23 -0.02 -2.29 120.40 110.65 2j45 s VAL 104 Ca 0.05 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2j45 s VAL 104 Cb -0.12 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.85 2j45 s VAL 104 CO -0.00 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 2j45 n GLY 105 N -0.25 0.50 3.81 2.32 0.00 -1.26 -0.71 105.19 109.61 2j45 n GLY 105 Ca -0.09 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 3.89 0.22 0.99 1.43 -1.26 -4.47 118.68 119.48 2j45 s LEU 106 Ca 0.00 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 2j45 s LEU 106 Cb 0.00 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 2j45 s LEU 106 CO 0.00 -0.55 1.39 -1.58 0.23 0.00 0.00 176.35 175.84 2j45 s GLN 107 N -3.23 4.32 0.00 1.70 0.74 0.11 -1.73 119.66 121.56 2j45 s GLN 107 Ca 0.64 2.20 0.00 0.00 0.05 0.00 0.00 55.36 58.25 2j45 s GLN 107 Cb -0.12 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.84 2j45 s GLN 107 CO 0.17 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 2j45 n GLY 108 N 2.33 0.67 0.04 2.59 0.00 -1.26 -4.57 105.19 104.99 2j45 n GLY 108 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.34 0.00 1.61 3.41 -0.71 -4.90 113.62 113.37 2j45 n SER 109 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2j45 n SER 109 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 1.43 0.67 0.31 5.00 0.00 -1.26 -3.99 105.19 107.34 2j45 n GLY 110 Ca 0.06 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 1.04 -0.54 -0.02 1.61 3.64 -1.88 0.83 116.57 121.26 2j45 h LYS 111 Ca 0.00 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2j45 h LYS 111 Cb 0.00 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2j45 h LYS 111 CO 0.00 -0.36 0.00 1.15 -2.27 0.00 0.00 179.45 177.97 2j45 h THR 112 N -0.56 1.22 -0.69 1.00 2.02 -1.94 -0.87 112.91 113.09 2j45 h THR 112 Ca 0.00 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2j45 h THR 112 Cb 0.53 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 2j45 h THR 112 CO -0.09 0.18 0.45 0.00 0.37 0.00 0.00 175.52 176.43 2j45 h THR 113 N -0.24 1.14 -0.58 3.16 1.03 -1.99 -2.38 112.91 113.04 2j45 h THR 113 Ca 0.01 -0.30 -0.04 0.00 -0.01 0.00 0.00 66.41 66.07 2j45 h THR 113 Cb 0.28 0.18 -0.03 0.00 -1.07 0.00 0.00 68.15 67.52 2j45 h THR 113 CO 0.00 0.16 0.21 0.74 -0.01 0.00 0.00 175.52 176.62 2j45 h THR 114 N 0.88 1.23 -0.56 0.00 2.02 -0.54 -0.85 112.91 115.09 2j45 h THR 114 Ca 0.26 -0.75 0.10 0.00 0.77 0.00 0.00 66.41 66.79 2j45 h THR 114 Cb -0.02 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 2j45 h THR 114 CO -0.07 0.29 0.13 0.00 0.37 0.00 0.00 175.52 176.24 2j45 h ALA 115 N 1.07 0.66 -0.42 6.16 0.00 -0.65 0.14 119.26 126.21 2j45 h ALA 115 Ca 0.19 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2j45 h ALA 115 Cb 0.23 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2j45 h ALA 115 CO -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 179.25 178.92 2j45 h ALA 116 N 1.43 0.57 -0.38 0.00 0.00 -1.18 -1.91 119.26 117.78 2j45 h ALA 116 Ca 0.28 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2j45 h ALA 116 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2j45 h ALA 116 CO -0.35 0.39 -0.06 0.87 0.00 0.00 0.00 179.25 180.09 2j45 h LYS 117 N 0.59 0.63 -0.39 0.00 1.57 -0.81 -1.42 116.57 116.74 2j45 h LYS 117 Ca 0.11 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2j45 h LYS 117 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2j45 h LYS 117 CO 0.03 0.70 0.22 -0.07 -0.57 0.00 0.00 179.45 179.75 2j45 h LEU 118 N 0.59 0.48 -0.49 2.94 3.38 -0.58 -1.60 115.31 120.03 2j45 h LEU 118 Ca 0.11 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2j45 h LEU 118 Cb 0.46 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2j45 h LEU 118 CO 0.02 0.42 0.25 0.00 0.09 0.00 0.00 178.44 179.22 2j45 h ALA 119 N 1.08 0.62 -0.91 1.53 0.00 -1.05 -1.92 119.26 118.61 2j45 h ALA 119 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2j45 h ALA 119 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2j45 h ALA 119 CO -0.02 -0.10 0.60 1.25 0.00 0.00 0.00 179.25 180.98 2j45 h LEU 120 N 0.48 1.05 0.47 0.00 5.85 -1.05 -2.25 115.31 119.87 2j45 h LEU 120 Ca 0.21 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2j45 h LEU 120 Cb 0.12 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2j45 h LEU 120 CO -0.15 0.76 -0.23 0.22 -0.34 0.00 0.00 178.44 178.71 2j45 h TYR 121 N 1.24 -0.59 -0.02 1.25 3.20 -0.52 -2.04 116.97 119.49 2j45 h TYR 121 Ca 0.33 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 2j45 h TYR 121 Cb -0.14 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2j45 h TYR 121 CO 0.00 -0.35 -0.48 1.88 -1.64 0.00 0.00 178.16 177.58 2j45 h TYR 122 N -0.67 0.05 0.05 -3.82 0.05 -1.47 -2.06 116.97 109.09 2j45 h TYR 122 Ca -0.06 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 2j45 h TYR 122 Cb 0.51 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2j45 h TYR 122 CO -0.03 0.51 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.34 2j45 h LYS 123 N 0.04 -0.06 -0.16 4.88 3.64 -1.42 0.28 116.57 123.76 2j45 h LYS 123 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2j45 h LYS 123 Cb 0.86 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2j45 h LYS 123 CO 0.06 0.14 0.36 0.78 -2.27 0.00 0.00 179.45 178.53 2j45 h GLY 124 N -0.26 0.00 0.37 5.01 0.00 -1.20 1.94 103.07 108.94 2j45 h GLY 124 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2j45 h GLY 124 CO 0.01 0.00 -0.05 0.28 0.00 0.00 0.00 176.54 176.78 2j45 n LYS 125 N -3.25 1.15 -0.02 4.80 4.76 -0.48 -4.92 118.16 120.19 2j45 n LYS 125 Ca 0.02 -0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.00 2j45 n LYS 125 Cb 0.46 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 1.17 0.99 3.89 0.72 0.00 0.66 -5.05 105.19 107.56 2j45 n GLY 126 Ca 0.19 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.81 3.25 -0.81 1.61 1.81 0.87 -4.93 118.95 119.94 2j45 s ARG 127 Ca 0.00 0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.44 2j45 s ARG 127 Cb 0.00 -2.16 0.26 0.00 -0.45 0.00 0.00 34.95 32.60 2j45 s ARG 127 CO 0.00 -0.65 0.97 0.54 -0.68 0.00 0.00 175.30 175.49 2j45 n ARG 128 N -2.69 3.13 -1.41 3.54 1.74 -1.26 -4.18 116.66 115.53 2j45 n ARG 128 Ca 0.05 -4.61 -0.34 0.00 -0.77 0.00 0.00 57.85 52.18 2j45 n ARG 128 Cb 0.56 -2.36 0.09 0.00 -1.02 0.00 0.00 32.46 29.73 2j45 n ARG 128 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2j45 s PRO 129 N -2.40 2.12 -0.11 5.56 0.02 -1.26 -1.82 135.00 137.11 2j45 s PRO 129 Ca 0.35 1.72 0.01 0.00 0.02 0.00 0.00 61.00 63.10 2j45 s PRO 129 Cb 0.08 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.78 2j45 s PRO 129 CO 0.00 -1.84 -0.15 -1.17 -0.33 0.00 0.00 177.00 173.52 2j45 s LEU 130 N -5.22 1.70 0.05 -5.54 2.96 0.29 -4.38 118.68 108.53 2j45 s LEU 130 Ca 0.73 -0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 2j45 s LEU 130 Cb -0.28 -1.09 -0.06 0.00 0.50 0.00 0.00 46.19 45.26 2j45 s LEU 130 CO 0.46 0.00 0.48 -0.76 -1.32 0.00 0.00 176.35 175.21 2j45 s LEU 131 N 1.08 4.47 -0.13 -0.68 1.43 -0.87 -0.58 118.68 123.40 2j45 s LEU 131 Ca -0.05 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2j45 s LEU 131 Cb -0.15 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.29 2j45 s LEU 131 CO -0.03 0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 175.99 2j45 s VAL 132 N -1.15 1.50 -0.61 -1.59 1.01 0.04 -2.12 120.40 117.47 2j45 s VAL 132 Ca 0.28 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2j45 s VAL 132 Cb -0.17 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 34.91 2j45 s VAL 132 CO 0.16 0.44 0.74 0.00 0.00 0.00 0.00 175.10 176.44 2j45 s ALA 133 N 1.34 3.41 -2.56 5.51 0.00 0.67 -0.47 121.76 129.65 2j45 s ALA 133 Ca 0.01 -2.24 0.23 0.00 0.00 0.00 0.00 51.96 49.96 2j45 s ALA 133 Cb -0.13 -3.57 0.41 0.00 0.00 0.00 0.00 23.12 19.83 2j45 s ALA 133 CO -0.07 -2.40 1.39 0.00 0.00 0.00 0.00 175.76 174.68 2j45 n ALA 134 N 6.39 2.43 -2.07 0.00 0.00 -0.55 -1.77 120.51 124.93 2j45 n ALA 134 Ca -0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 2j45 n ALA 134 Cb 0.43 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.58 5.82 0.00 0.00 -1.08 -1.26 -4.62 116.67 113.95 2j45 s ASP 135 Ca 0.37 0.98 0.16 0.00 -0.52 0.00 0.00 52.55 53.54 2j45 s ASP 135 Cb 0.22 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.91 2j45 s ASP 135 CO 0.31 -1.82 1.51 0.35 0.52 0.00 0.00 175.17 176.05 2j45 n THR 136 N 7.30 0.12 0.00 1.71 -2.24 -1.26 -3.86 114.28 116.05 2j45 n THR 136 Ca 0.21 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2j45 n THR 136 Cb 0.48 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 4.37 -3.62 -0.78 6.02 -1.26 -0.73 117.38 121.14 2j45 n GLN 137 Ca 0.13 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.82 2j45 n GLN 137 Cb 0.17 -0.62 -0.15 0.00 1.02 0.00 0.00 30.24 30.66 2j45 n GLN 137 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2j45 s ARG 138 N -1.21 0.44 0.39 -1.09 0.52 -1.25 -4.99 118.95 111.76 2j45 s ARG 138 Ca 0.00 -0.81 0.14 0.00 -0.52 0.00 0.00 55.73 54.53 2j45 s ARG 138 Cb 0.00 -1.53 0.97 0.00 0.52 0.00 0.00 34.95 34.91 2j45 s ARG 138 CO 0.00 -1.02 1.86 -1.35 0.02 0.00 0.00 175.30 174.81 2j45 h PRO 139 N 8.19 0.51 -0.39 3.54 0.11 -1.94 -1.69 132.00 140.34 2j45 h PRO 139 Ca -0.16 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 2j45 h PRO 139 Cb 1.01 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2j45 h PRO 139 CO 0.45 0.34 0.12 0.00 -0.21 0.00 0.00 178.00 178.69 2j45 h ALA 140 N 1.61 1.48 -0.44 -0.75 0.00 -1.97 0.67 119.26 119.87 2j45 h ALA 140 Ca 0.47 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2j45 h ALA 140 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2j45 h ALA 140 CO -0.20 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.21 2j45 h ALA 141 N 1.58 0.77 -0.04 0.00 0.00 -1.71 0.31 119.26 120.16 2j45 h ALA 141 Ca 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2j45 h ALA 141 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2j45 h ALA 141 CO -0.01 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.88 2j45 h ARG 142 N 0.78 0.09 -0.77 0.00 3.08 -1.02 -2.83 114.38 113.70 2j45 h ARG 142 Ca 0.10 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.18 2j45 h ARG 142 Cb 0.78 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 2j45 h ARG 142 CO 0.06 0.49 0.45 0.93 -1.07 0.00 0.00 179.97 180.84 2j45 h GLU 143 N -0.31 0.79 -0.31 0.04 5.08 0.37 0.96 114.58 121.20 2j45 h GLU 143 Ca 0.01 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2j45 h GLU 143 Cb 0.47 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 2j45 h GLU 143 CO 0.01 0.52 -0.15 0.37 -1.00 0.00 0.00 179.01 178.76 2j45 h GLN 144 N 0.81 -0.10 -0.27 2.33 4.15 -0.40 -1.85 115.11 119.79 2j45 h GLN 144 Ca 0.35 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.69 2j45 h GLN 144 Cb 0.22 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2j45 h GLN 144 CO -0.19 -0.07 -0.20 1.25 -1.93 0.00 0.00 178.83 177.69 2j45 h LEU 145 N -0.10 0.48 -0.87 -2.39 5.85 -0.42 -2.49 115.31 115.37 2j45 h LEU 145 Ca 0.16 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.90 2j45 h LEU 145 Cb 0.35 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.14 2j45 h LEU 145 CO -0.38 0.70 0.43 -0.09 -0.34 0.00 0.00 178.44 178.76 2j45 h ARG 146 N 0.44 0.54 0.94 1.25 2.43 0.15 -2.62 114.38 117.51 2j45 h ARG 146 Ca 0.07 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2j45 h ARG 146 Cb 0.60 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2j45 h ARG 146 CO 0.04 0.35 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.30 2j45 h LEU 147 N 0.55 -1.19 -0.99 3.80 3.38 -0.89 -3.09 115.31 116.89 2j45 h LEU 147 Ca 0.50 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.61 2j45 h LEU 147 Cb 0.80 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2j45 h LEU 147 CO -0.42 -0.80 0.63 -0.07 0.09 0.00 0.00 178.44 177.86 2j45 h LEU 148 N -1.31 0.96 -0.41 1.67 3.38 -1.45 -1.04 115.31 117.12 2j45 h LEU 148 Ca -0.13 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2j45 h LEU 148 Cb 1.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2j45 h LEU 148 CO 0.19 0.57 0.17 1.23 0.09 0.00 0.00 178.44 180.69 2j45 h GLY 149 N 1.07 0.64 0.38 0.83 0.00 -1.56 0.02 103.07 104.45 2j45 h GLY 149 Ca 0.45 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2j45 h GLY 149 CO -0.21 0.32 -0.38 0.83 0.00 0.00 0.00 176.54 177.09 2j45 h GLU 150 N 0.51 -0.62 -0.33 4.80 5.08 -1.15 0.12 114.58 122.99 2j45 h GLU 150 Ca 0.14 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2j45 h GLU 150 Cb 0.16 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 2j45 h GLU 150 CO -0.01 -0.41 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.09 2j45 h LYS 151 N -0.64 -0.23 -0.00 2.33 3.64 -0.85 -1.30 116.57 119.51 2j45 h LYS 151 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2j45 h LYS 151 Cb 0.66 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2j45 h LYS 151 CO -0.20 -0.15 -0.02 1.33 -2.27 0.00 0.00 179.45 178.14 2j45 n VAL 152 N -5.40 0.00 -3.11 2.00 0.24 -0.04 -4.93 118.33 107.09 2j45 n VAL 152 Ca 0.00 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 2j45 n VAL 152 Cb 0.31 -0.19 0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 1.11 -0.08 3.12 7.63 0.00 0.29 -4.90 105.19 112.36 2j45 n GLY 153 Ca 0.20 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.23 1.32 0.75 1.61 1.01 -0.53 -5.04 120.40 116.29 2j45 s VAL 154 Ca 0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2j45 s VAL 154 Cb -0.09 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.21 2j45 s VAL 154 CO 0.49 0.38 1.11 -2.16 0.00 0.00 0.00 175.10 174.93 2j45 s PRO 155 N 0.02 2.24 -0.10 2.72 0.04 -1.26 -4.34 135.00 134.32 2j45 s PRO 155 Ca -0.03 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.35 2j45 s PRO 155 Cb -0.10 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2j45 s PRO 155 CO 0.02 -1.68 -0.06 0.08 0.04 0.00 0.00 177.00 175.40 2j45 s VAL 156 N -2.63 0.89 -0.23 -0.36 1.01 -1.26 -2.04 120.40 115.78 2j45 s VAL 156 Ca 0.65 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 2j45 s VAL 156 Cb -0.20 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2j45 s VAL 156 CO 0.51 0.34 0.30 -0.22 0.00 0.00 0.00 175.10 176.04 2j45 s LEU 157 N 1.64 4.12 -0.31 3.92 0.20 -0.90 -4.98 118.68 122.37 2j45 s LEU 157 Ca 0.03 0.32 -0.11 0.00 0.69 0.00 0.00 54.13 55.06 2j45 s LEU 157 Cb -0.13 -2.34 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 2j45 s LEU 157 CO -0.06 -0.05 0.19 -1.61 -0.29 0.00 0.00 176.35 174.53 2j45 s GLU 158 N 1.37 3.52 1.20 1.98 2.02 -1.26 -0.24 118.70 127.29 2j45 s GLU 158 Ca 0.14 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.35 2j45 s GLU 158 Cb -0.15 -3.66 0.23 0.00 0.10 0.00 0.00 34.13 30.66 2j45 s GLU 158 CO 0.07 -0.37 0.54 1.33 0.02 0.00 0.00 175.26 176.85 2j45 n VAL 159 N 5.04 0.00 -3.80 2.63 0.24 -0.73 -4.99 118.33 116.72 2j45 n VAL 159 Ca -0.14 -0.30 -0.21 0.00 -2.04 0.00 0.00 64.34 61.65 2j45 n VAL 159 Cb 0.50 -0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 32.04 2j45 n VAL 159 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2j45 s MET 160 N -4.04 2.85 0.08 7.34 1.00 -1.26 -4.95 119.30 120.33 2j45 s MET 160 Ca 0.60 -1.19 -0.31 0.00 0.00 0.00 0.00 55.69 54.80 2j45 s MET 160 Cb -0.16 -2.57 -0.09 0.00 0.00 0.00 0.00 34.83 32.01 2j45 s MET 160 CO 0.61 0.15 1.72 -0.51 0.00 0.00 0.00 175.02 176.98 2j45 s ASP 161 N -4.00 6.54 0.00 3.03 -0.00 -1.25 -1.86 116.67 119.12 2j45 s ASP 161 Ca 0.40 2.57 0.00 0.00 -0.00 0.00 0.00 52.55 55.52 2j45 s ASP 161 Cb -0.07 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.29 2j45 s ASP 161 CO 0.27 -0.93 0.00 0.61 -0.00 0.00 0.00 175.17 175.12 2j45 n GLY 162 N 4.09 0.54 3.74 0.21 0.00 0.10 -5.00 105.19 108.87 2j45 n GLY 162 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.44 2.73 0.40 1.61 2.12 -0.78 -4.98 118.70 119.36 2j45 s GLU 163 Ca 0.00 1.95 -0.14 0.00 0.36 0.00 0.00 54.97 57.14 2j45 s GLU 163 Cb 0.00 -1.88 -0.08 0.00 0.26 0.00 0.00 34.13 32.43 2j45 s GLU 163 CO 0.00 -1.43 0.82 -1.54 -0.54 0.00 0.00 175.26 172.57 2j45 s SER 164 N -1.51 6.67 0.37 -1.70 1.04 -1.26 -4.87 113.70 112.45 2j45 s SER 164 Ca 0.80 1.32 0.05 0.00 0.48 0.00 0.00 55.95 58.60 2j45 s SER 164 Cb -0.34 -2.40 0.73 0.00 0.10 0.00 0.00 66.02 64.11 2j45 s SER 164 CO 0.37 -0.36 1.99 -0.65 0.98 0.00 0.00 173.24 175.57 2j45 h PRO 165 N 1.61 0.73 -0.71 4.02 0.11 -1.96 0.44 132.00 136.24 2j45 h PRO 165 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2j45 h PRO 165 Cb 1.18 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2j45 h PRO 165 CO 0.64 0.49 0.25 0.93 -0.21 0.00 0.00 178.00 180.10 2j45 h GLU 166 N 0.76 1.09 -0.01 1.05 3.07 -1.96 0.13 114.58 118.71 2j45 h GLU 166 Ca 0.27 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2j45 h GLU 166 Cb 0.11 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2j45 h GLU 166 CO -0.08 0.92 -0.00 1.03 -1.40 0.00 0.00 179.01 179.48 2j45 h SER 167 N 1.04 0.03 -0.47 1.42 0.87 -1.80 -0.65 113.55 113.98 2j45 h SER 167 Ca 0.23 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2j45 h SER 167 Cb 0.26 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.14 2j45 h SER 167 CO -0.01 0.42 0.06 0.40 -0.53 0.00 0.00 176.83 177.17 2j45 h ILE 168 N -0.37 0.71 -0.19 2.23 2.04 -0.09 -1.18 117.51 120.66 2j45 h ILE 168 Ca 0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2j45 h ILE 168 Cb 0.41 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2j45 h ILE 168 CO 0.00 0.03 -0.43 -0.09 0.00 0.00 0.00 178.15 177.67 2j45 h ARG 169 N 0.19 -0.44 -0.48 2.37 2.43 -0.61 0.05 114.38 117.88 2j45 h ARG 169 Ca 0.23 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 2j45 h ARG 169 Cb 0.32 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 2j45 h ARG 169 CO -0.33 -0.30 0.12 -0.09 -1.51 0.00 0.00 179.97 177.86 2j45 h ARG 170 N -0.46 0.26 -0.09 0.20 2.43 -0.54 -1.02 114.38 115.16 2j45 h ARG 170 Ca 0.09 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 2j45 h ARG 170 Cb 0.62 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2j45 h ARG 170 CO -0.43 0.17 -0.72 0.00 -1.51 0.00 0.00 179.97 177.47 2j45 h ARG 171 N 0.27 0.44 0.20 0.20 3.08 -0.94 -3.19 114.38 114.44 2j45 h ARG 171 Ca 0.23 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2j45 h ARG 171 Cb 0.29 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2j45 h ARG 171 CO -0.28 0.99 -0.09 0.28 -1.07 0.00 0.00 179.97 179.79 2j45 h VAL 172 N 0.30 0.90 -0.40 2.04 2.07 -0.28 -3.24 116.25 117.64 2j45 h VAL 172 Ca -0.03 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2j45 h VAL 172 Cb 1.30 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2j45 h VAL 172 CO 0.13 0.15 -0.00 -0.08 0.02 0.00 0.00 177.57 177.78 2j45 h GLU 173 N -0.60 0.64 -0.50 1.57 4.81 -1.28 -2.26 114.58 116.96 2j45 h GLU 173 Ca -0.03 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.93 2j45 h GLU 173 Cb 0.44 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2j45 h GLU 173 CO 0.04 0.66 -0.14 1.49 -0.73 0.00 0.00 179.01 180.33 2j45 h GLU 174 N 0.61 0.97 -0.12 1.92 4.57 -1.70 -1.67 114.58 119.17 2j45 h GLU 174 Ca 0.12 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2j45 h GLU 174 Cb 0.39 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2j45 h GLU 174 CO 0.01 1.04 0.03 -0.22 -1.18 0.00 0.00 179.01 178.70 2j45 h LYS 175 N 0.86 0.18 -0.33 1.92 3.64 -1.44 0.64 116.57 122.04 2j45 h LYS 175 Ca 0.13 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2j45 h LYS 175 Cb 0.70 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2j45 h LYS 175 CO 0.05 0.34 0.24 0.00 -2.27 0.00 0.00 179.45 177.81 2j45 h ALA 176 N 0.84 2.30 0.16 5.00 0.00 -1.41 0.32 119.26 126.48 2j45 h ALA 176 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2j45 h ALA 176 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2j45 h ALA 176 CO -0.00 -0.42 -0.08 -0.09 0.00 0.00 0.00 179.25 178.67 2j45 h ARG 177 N 0.00 -0.21 -0.30 0.00 2.43 -0.27 -1.88 114.38 114.15 2j45 h ARG 177 Ca 0.16 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2j45 h ARG 177 Cb 0.64 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2j45 h ARG 177 CO -0.00 0.22 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.45 2j45 h LEU 178 N -0.81 0.52 -2.87 3.80 3.38 0.17 -2.84 115.31 116.66 2j45 h LEU 178 Ca -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2j45 h LEU 178 Cb 0.53 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2j45 h LEU 178 CO 0.04 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.65 2j45 n GLU 179 N -4.17 2.86 -3.91 1.13 1.02 1.00 -4.98 120.64 113.59 2j45 n GLU 179 Ca 0.00 -2.21 -0.26 0.00 -0.02 0.00 0.00 57.16 54.67 2j45 n GLU 179 Cb 0.35 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.75 -1.86 -2.69 0.62 0.00 -0.96 -4.95 120.51 111.42 2j45 n ALA 180 Ca 0.15 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 2j45 n ALA 180 Cb 0.48 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 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 -6.45 4.28 0.00 0.00 1.81 -0.75 -4.75 118.95 113.09 2j45 s ARG 181 Ca 0.15 0.50 0.05 0.00 -1.72 0.00 0.00 55.73 54.71 2j45 s ARG 181 Cb -0.08 -3.50 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 2j45 s ARG 181 CO 0.87 -0.00 0.26 -0.40 -0.68 0.00 0.00 175.30 175.34 2j45 n ASP 182 N 4.23 0.35 -3.91 0.23 5.68 -0.75 -4.66 116.55 117.72 2j45 n ASP 182 Ca -0.05 -0.67 -0.30 0.00 -0.50 0.00 0.00 54.79 53.27 2j45 n ASP 182 Cb 0.51 0.92 -0.16 0.00 -1.14 0.00 0.00 41.12 41.25 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 -2.10 2.61 -0.23 -2.12 2.96 -1.25 -0.81 118.68 117.73 2j45 s LEU 183 Ca 0.02 -1.28 -0.10 0.00 -0.22 0.00 0.00 54.13 52.55 2j45 s LEU 183 Cb 0.04 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 2j45 s LEU 183 CO 0.20 -0.27 0.15 -0.63 -1.32 0.00 0.00 176.35 174.47 2j45 s ILE 184 N 1.41 5.27 -0.26 6.68 1.01 0.20 -0.55 121.20 134.95 2j45 s ILE 184 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2j45 s ILE 184 Cb -0.19 -3.45 0.06 0.00 0.01 0.00 0.00 42.46 38.90 2j45 s ILE 184 CO -0.08 0.36 -0.10 -0.76 0.00 0.00 0.00 174.94 174.36 2j45 s LEU 185 N 0.97 3.49 -0.41 2.97 1.43 0.25 -0.37 118.68 127.02 2j45 s LEU 185 Ca 0.07 -1.37 -0.15 0.00 -1.03 0.00 0.00 54.13 51.65 2j45 s LEU 185 Cb -0.13 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.53 2j45 s LEU 185 CO 0.04 -0.20 0.30 -0.69 0.23 0.00 0.00 176.35 176.03 2j45 s VAL 186 N 1.13 5.26 -0.68 -1.59 1.01 0.22 -0.78 120.40 124.96 2j45 s VAL 186 Ca -0.08 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 2j45 s VAL 186 Cb -0.20 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2j45 s VAL 186 CO -0.05 -0.31 1.12 -0.62 0.00 0.00 0.00 175.10 175.25 2j45 s ASP 187 N 1.68 6.21 0.76 3.32 2.15 0.38 -0.53 116.67 130.65 2j45 s ASP 187 Ca 0.05 -0.58 -0.10 0.00 0.43 0.00 0.00 52.55 52.35 2j45 s ASP 187 Cb -0.19 -2.50 0.06 0.00 -0.30 0.00 0.00 42.92 40.00 2j45 s ASP 187 CO 0.10 -1.60 1.12 0.42 -0.17 0.00 0.00 175.17 175.04 2j45 s THR 188 N 4.88 2.35 0.44 1.71 -4.23 -0.97 -1.48 115.64 118.34 2j45 s THR 188 Ca 0.31 0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.57 2j45 s THR 188 Cb -0.12 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.55 2j45 s THR 188 CO 0.15 -0.11 1.35 0.00 -0.54 0.00 0.00 174.62 175.46 2j45 s ALA 189 N -3.45 3.19 0.04 3.99 0.00 -1.26 -4.75 121.76 119.53 2j45 s ALA 189 Ca 0.61 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.92 2j45 s ALA 189 Cb -0.11 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 2j45 s ALA 189 CO 0.48 -1.01 -0.12 0.20 0.00 0.00 0.00 175.76 175.31 2j45 s GLY 190 N -0.70 0.68 0.42 0.00 0.00 -1.26 -4.73 107.32 101.73 2j45 s GLY 190 Ca 0.60 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.59 2j45 s GLY 190 CO 0.51 -0.76 0.14 0.50 0.00 0.00 0.00 173.10 173.48 2j45 s ARG 191 N -1.19 1.98 0.33 2.90 1.81 -1.26 -4.44 118.95 119.08 2j45 s ARG 191 Ca -0.01 -2.22 0.25 0.00 -1.72 0.00 0.00 55.73 52.03 2j45 s ARG 191 Cb -0.08 -0.60 0.65 0.00 -0.45 0.00 0.00 34.95 34.48 2j45 s ARG 191 CO 0.01 -0.52 1.71 -0.07 -0.68 0.00 0.00 175.30 175.76 2j45 h LEU 192 N 1.73 0.00 -7.84 2.53 3.38 -1.95 0.34 115.31 113.49 2j45 h LEU 192 Ca -0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2j45 h LEU 192 Cb 1.28 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.90 2j45 h LEU 192 CO 0.55 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.80 2j45 s GLN 193 N -3.20 1.03 0.25 1.13 0.00 -1.26 -4.92 119.66 112.69 2j45 s GLN 193 Ca 0.08 -1.00 -0.30 0.00 -0.00 0.00 0.00 55.36 54.15 2j45 s GLN 193 Cb 0.09 0.39 -0.10 0.00 0.00 0.00 0.00 33.01 33.39 2j45 s GLN 193 CO 0.61 -0.37 1.37 0.42 0.00 0.00 0.00 175.29 177.32 2j45 s ILE 194 N -3.89 2.87 -0.06 3.63 -1.09 -1.26 -5.02 121.20 116.38 2j45 s ILE 194 Ca 0.09 0.75 -0.00 0.00 -2.23 0.00 0.00 60.65 59.26 2j45 s ILE 194 Cb 0.03 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2j45 s ILE 194 CO -0.07 0.13 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.14 2j45 s ASP 195 N 0.20 1.22 0.10 3.58 -1.08 -1.26 -5.06 116.67 114.36 2j45 s ASP 195 Ca 0.56 -0.08 -0.24 0.00 -0.52 0.00 0.00 52.55 52.27 2j45 s ASP 195 Cb -0.39 -0.40 -0.12 0.00 -1.46 0.00 0.00 42.92 40.54 2j45 s ASP 195 CO 0.43 -0.14 1.71 -0.08 0.52 0.00 0.00 175.17 177.61 2j45 h GLU 196 N 7.85 -0.14 -0.57 4.34 4.57 -1.99 -0.49 114.58 128.15 2j45 h GLU 196 Ca -0.28 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.02 2j45 h GLU 196 Cb 1.13 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.67 2j45 h GLU 196 CO 0.35 -0.10 0.04 -1.35 -1.18 0.00 0.00 179.01 176.77 2j45 h PRO 197 N -0.15 0.16 -0.87 0.92 0.11 -1.99 -0.71 132.00 129.46 2j45 h PRO 197 Ca 0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2j45 h PRO 197 Cb 0.16 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 2j45 h PRO 197 CO -0.04 0.10 0.53 1.25 -0.21 0.00 0.00 178.00 179.63 2j45 h LEU 198 N 0.16 1.04 -0.66 2.35 5.85 -1.71 -0.32 115.31 122.01 2j45 h LEU 198 Ca 0.29 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 2j45 h LEU 198 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2j45 h LEU 198 CO -0.44 0.80 -0.59 0.24 -0.34 0.00 0.00 178.44 178.11 2j45 h MET 199 N 1.20 0.26 -0.39 1.25 2.86 -0.16 -1.37 114.93 118.57 2j45 h MET 199 Ca 0.31 -0.17 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 2j45 h MET 199 Cb -0.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2j45 h MET 199 CO -0.06 0.77 -0.33 0.78 1.06 0.00 0.00 176.91 179.13 2j45 h GLY 200 N 1.43 0.98 0.83 8.32 0.00 -0.61 -0.57 103.07 113.45 2j45 h GLY 200 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 47.33 46.41 2j45 h GLY 200 CO 0.09 0.86 0.45 -2.09 0.00 0.00 0.00 176.54 175.85 2j45 h GLU 201 N 0.75 0.84 -0.25 4.80 4.81 -0.63 -1.40 114.58 123.50 2j45 h GLU 201 Ca 0.07 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2j45 h GLU 201 Cb 0.91 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2j45 h GLU 201 CO 0.08 0.56 -0.56 1.25 -0.73 0.00 0.00 179.01 179.61 2j45 h LEU 202 N 0.87 0.87 -0.81 1.64 5.85 -1.15 -0.81 115.31 121.76 2j45 h LEU 202 Ca 0.30 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2j45 h LEU 202 Cb 0.05 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2j45 h LEU 202 CO -0.13 1.25 0.52 0.00 -0.34 0.00 0.00 178.44 179.75 2j45 h ALA 203 N 0.76 1.06 -0.43 1.25 0.00 -1.02 -1.58 119.26 119.30 2j45 h ALA 203 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2j45 h ALA 203 Cb 1.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2j45 h ALA 203 CO 0.12 0.36 -0.03 -0.09 0.00 0.00 0.00 179.25 179.61 2j45 h ARG 204 N 1.02 0.78 -1.00 0.00 9.65 -0.92 -1.79 114.38 122.12 2j45 h ARG 204 Ca 0.32 -0.26 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 2j45 h ARG 204 Cb -0.01 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 2j45 h ARG 204 CO -0.11 0.87 0.65 1.25 2.80 0.00 0.00 179.97 185.43 2j45 h LEU 205 N 0.62 1.07 -0.69 3.80 5.85 -0.94 -1.65 115.31 123.35 2j45 h LEU 205 Ca 0.12 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2j45 h LEU 205 Cb 0.53 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2j45 h LEU 205 CO 0.03 0.71 0.32 0.50 -0.34 0.00 0.00 178.44 179.66 2j45 h LYS 206 N 1.23 1.01 -0.71 1.25 3.64 -1.03 -0.32 116.57 121.63 2j45 h LYS 206 Ca 0.41 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2j45 h LYS 206 Cb 0.07 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2j45 h LYS 206 CO -0.15 0.80 0.46 0.93 -2.27 0.00 0.00 179.45 179.23 2j45 h GLU 207 N 0.97 0.90 0.06 1.90 5.08 -0.45 0.12 114.58 123.16 2j45 h GLU 207 Ca 0.24 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 2j45 h GLU 207 Cb 0.13 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2j45 h GLU 207 CO -0.03 0.60 -0.62 0.28 -1.00 0.00 0.00 179.01 178.24 2j45 h VAL 208 N 0.93 1.50 0.00 3.13 2.07 -1.07 -3.35 116.25 119.46 2j45 h VAL 208 Ca 0.27 -2.26 -0.16 0.00 0.82 0.00 0.00 66.70 65.37 2j45 h VAL 208 Cb -0.06 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2j45 h VAL 208 CO -0.08 0.64 -0.91 -0.07 0.02 0.00 0.00 177.57 177.17 2j45 h LEU 209 N -0.30 0.00 -1.84 2.57 3.38 -1.08 -3.49 115.31 114.54 2j45 h LEU 209 Ca -0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.56 2j45 h LEU 209 Cb 1.40 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.32 2j45 h LEU 209 CO 0.12 0.70 -0.79 0.61 0.09 0.00 0.00 178.44 179.17 2j45 n GLY 210 N 1.32 -0.55 3.71 0.83 0.00 0.03 -4.93 105.19 105.61 2j45 n GLY 210 Ca -0.02 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2j45 n GLY 210 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j45 n PRO 211 N -3.93 1.76 0.15 1.61 -0.04 -1.26 -4.91 135.00 128.38 2j45 n PRO 211 Ca -0.24 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2j45 n PRO 211 Cb 0.66 -2.45 0.21 0.00 -0.04 0.00 0.00 33.50 31.88 2j45 n PRO 211 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2j45 h ASP 212 N 1.69 0.00 -4.56 3.54 5.19 -1.13 -3.45 116.42 117.70 2j45 h ASP 212 Ca -0.49 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.70 2j45 h ASP 212 Cb 1.30 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.58 2j45 h ASP 212 CO 0.58 0.56 -0.72 -1.61 -3.12 0.00 0.00 179.24 174.93 2j45 s GLU 213 N -3.62 0.28 -0.29 3.56 0.41 -1.24 -5.04 118.70 112.77 2j45 s GLU 213 Ca -0.01 -0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 2j45 s GLU 213 Cb 0.12 -0.03 0.09 0.00 -1.78 0.00 0.00 34.13 32.53 2j45 s GLU 213 CO 0.74 -0.01 0.05 0.08 -0.49 0.00 0.00 175.26 175.64 2j45 s VAL 214 N -0.99 1.22 -0.35 2.63 1.01 -1.26 -1.17 120.40 121.50 2j45 s VAL 214 Ca -0.10 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 2j45 s VAL 214 Cb -0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2j45 s VAL 214 CO -0.00 -0.49 0.41 -0.76 0.00 0.00 0.00 175.10 174.25 2j45 s LEU 215 N 1.47 4.42 -0.26 3.92 1.43 0.37 -0.63 118.68 129.41 2j45 s LEU 215 Ca 0.06 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 2j45 s LEU 215 Cb -0.18 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 2j45 s LEU 215 CO -0.16 -0.38 0.62 -0.22 0.23 0.00 0.00 176.35 176.44 2j45 s LEU 216 N 2.12 4.06 -0.23 1.79 2.96 -0.42 -0.84 118.68 128.13 2j45 s LEU 216 Ca 0.14 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 54.60 2j45 s LEU 216 Cb -0.16 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 2j45 s LEU 216 CO 0.12 -0.37 0.32 -0.69 -1.32 0.00 0.00 176.35 174.41 2j45 s VAL 217 N 2.50 5.25 -0.02 1.68 1.01 0.11 -0.87 120.40 130.06 2j45 s VAL 217 Ca 0.26 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.79 2j45 s VAL 217 Cb -0.15 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2j45 s VAL 217 CO 0.09 0.27 -0.15 -0.76 0.00 0.00 0.00 175.10 174.54 2j45 s LEU 218 N 1.35 2.01 -0.46 3.92 1.43 0.01 -4.43 118.68 122.51 2j45 s LEU 218 Ca 0.15 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 2j45 s LEU 218 Cb -0.15 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.31 2j45 s LEU 218 CO 0.07 0.18 1.17 -0.62 0.23 0.00 0.00 176.35 177.38 2j45 s ASP 219 N -0.30 6.61 0.53 2.29 -1.08 -1.26 -0.83 116.67 122.63 2j45 s ASP 219 Ca 0.05 0.54 0.20 0.00 -0.52 0.00 0.00 52.55 52.82 2j45 s ASP 219 Cb -0.06 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.22 2j45 s ASP 219 CO -0.00 -1.26 2.12 0.00 0.52 0.00 0.00 175.17 176.55 2j45 h ALA 220 N 9.36 2.06 0.00 3.66 0.00 -1.30 -1.78 119.26 131.26 2j45 h ALA 220 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2j45 h ALA 220 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2j45 h ALA 220 CO 1.12 -0.17 0.00 -1.33 0.00 0.00 0.00 179.25 178.87 2j45 n MET 221 N -4.39 0.15 0.00 0.00 2.81 -1.26 -2.01 117.12 112.42 2j45 n MET 221 Ca 0.00 0.54 0.15 0.00 -1.81 0.00 0.00 57.70 56.58 2j45 n MET 221 Cb 0.22 -1.90 0.74 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.20 0.00 -4.38 2.03 -2.24 -0.67 -4.98 114.28 101.84 2j45 n THR 222 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2j45 n THR 222 Cb 0.11 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.12 2.56 0.31 3.38 0.00 -0.85 -2.43 105.19 109.28 2j45 n GLY 223 Ca 0.20 -0.45 0.20 0.00 0.00 0.00 0.00 46.02 45.97 2j45 n GLY 223 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2j45 h GLN 224 N 0.00 0.00 -0.87 1.61 4.20 -1.91 -1.40 115.11 116.74 2j45 h GLN 224 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2j45 h GLN 224 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2j45 h GLN 224 CO 0.00 0.01 0.57 1.49 -0.67 0.00 0.00 178.83 180.23 2j45 h GLU 225 N 0.00 1.02 -0.94 1.46 4.57 -1.89 -0.55 114.58 118.26 2j45 h GLU 225 Ca -0.00 -0.06 0.20 0.00 -1.18 0.00 0.00 59.36 58.31 2j45 h GLU 225 Cb 0.19 -0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 28.47 2j45 h GLU 225 CO 0.00 0.68 0.61 0.00 -1.18 0.00 0.00 179.01 179.11 2j45 h ALA 226 N 1.50 2.03 -0.39 2.92 0.00 -1.38 2.35 119.26 126.29 2j45 h ALA 226 Ca 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2j45 h ALA 226 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2j45 h ALA 226 CO -0.11 -0.33 -0.07 -0.07 0.00 0.00 0.00 179.25 178.67 2j45 h LEU 227 N 0.54 0.64 0.07 0.00 3.38 -1.25 -1.26 115.31 117.43 2j45 h LEU 227 Ca 0.50 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2j45 h LEU 227 Cb 1.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2j45 h LEU 227 CO -0.24 0.76 -0.09 0.28 0.09 0.00 0.00 178.44 179.23 2j45 h SER 228 N 0.62 -0.26 -0.97 -0.43 0.02 0.47 -2.56 113.55 110.44 2j45 h SER 228 Ca 0.12 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2j45 h SER 228 Cb 0.48 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 2j45 h SER 228 CO 0.03 -0.14 0.63 0.58 -1.14 0.00 0.00 176.83 176.78 2j45 h VAL 229 N -0.20 1.13 -0.39 2.27 2.07 -0.55 -2.77 116.25 117.81 2j45 h VAL 229 Ca 0.01 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 2j45 h VAL 229 Cb 0.21 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2j45 h VAL 229 CO -0.05 0.21 -0.23 0.00 0.02 0.00 0.00 177.57 177.53 2j45 h ALA 230 N 1.46 0.55 -0.80 1.67 0.00 -0.85 -1.27 119.26 120.02 2j45 h ALA 230 Ca 0.40 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2j45 h ALA 230 Cb 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2j45 h ALA 230 CO -0.14 0.53 0.49 -0.09 0.00 0.00 0.00 179.25 180.04 2j45 h ARG 231 N 0.64 0.89 -0.19 0.00 2.43 -1.25 0.11 114.38 117.01 2j45 h ARG 231 Ca 0.08 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 2j45 h ARG 231 Cb 0.79 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2j45 h ARG 231 CO 0.06 0.59 -0.67 0.00 -1.51 0.00 0.00 179.97 178.44 2j45 h ALA 232 N 1.37 0.34 -0.63 2.80 0.00 -1.25 0.43 119.26 122.31 2j45 h ALA 232 Ca 0.34 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2j45 h ALA 232 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2j45 h ALA 232 CO -0.16 0.64 0.06 0.74 0.00 0.00 0.00 179.25 180.53 2j45 h PHE 233 N 0.53 1.14 -0.40 0.00 0.04 -1.23 -2.45 116.94 114.57 2j45 h PHE 233 Ca -0.03 -0.17 -0.10 0.00 2.80 0.00 0.00 57.97 60.47 2j45 h PHE 233 Cb 1.29 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 2j45 h PHE 233 CO 0.09 0.98 -0.17 0.22 -0.60 0.00 0.00 178.31 178.82 2j45 h ASP 234 N 0.99 0.75 0.13 2.17 3.58 -0.50 0.21 116.42 123.74 2j45 h ASP 234 Ca 0.19 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2j45 h ASP 234 Cb 0.48 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2j45 h ASP 234 CO 0.02 0.92 -0.06 -0.08 -2.88 0.00 0.00 179.24 177.16 2j45 h GLU 235 N 0.66 -0.17 0.00 0.28 4.81 -0.17 -2.53 114.58 117.47 2j45 h GLU 235 Ca 0.10 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 2j45 h GLU 235 Cb 0.66 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2j45 h GLU 235 CO 0.05 0.02 -1.28 0.87 -0.73 0.00 0.00 179.01 177.94 2j45 h LYS 236 N -0.33 0.00 0.00 1.92 1.57 -1.37 -3.42 116.57 114.95 2j45 h LYS 236 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2j45 h LYS 236 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2j45 h LYS 236 CO 0.03 0.50 -0.83 0.28 -0.57 0.00 0.00 179.45 178.86 2j45 n VAL 237 N -3.07 0.00 -0.09 0.50 0.31 -0.05 -4.67 118.33 111.27 2j45 n VAL 237 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2j45 n VAL 237 Cb 0.90 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 2.90 0.52 3.58 2.92 0.00 -0.56 -4.95 105.19 109.60 2j45 n GLY 238 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 2j45 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j45 s VAL 239 N 0.00 3.40 -0.01 1.61 1.01 -1.26 -4.79 120.40 120.35 2j45 s VAL 239 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.83 2j45 s VAL 239 Cb 0.00 -2.58 -0.12 0.00 0.00 0.00 0.00 36.38 33.67 2j45 s VAL 239 CO 0.00 0.13 0.17 0.35 0.00 0.00 0.00 175.10 175.76 2j45 n THR 240 N 0.76 0.01 -3.67 3.92 -2.24 0.20 -4.92 114.28 108.34 2j45 n THR 240 Ca -0.13 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 2j45 n THR 240 Cb 0.52 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.94 -0.31 0.14 3.38 0.00 -1.14 -4.44 107.32 102.01 2j45 s GLY 241 Ca -0.03 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.26 2j45 s GLY 241 CO 0.33 0.12 -0.18 1.08 0.00 0.00 0.00 173.10 174.46 2j45 s LEU 242 N -2.82 2.70 -0.12 0.66 1.43 0.24 -1.30 118.68 119.47 2j45 s LEU 242 Ca 0.11 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2j45 s LEU 242 Cb -0.00 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.74 2j45 s LEU 242 CO -0.01 0.15 -0.15 -0.69 0.23 0.00 0.00 176.35 175.88 2j45 s VAL 243 N -1.35 1.49 -0.34 -1.59 1.01 -0.05 -1.00 120.40 118.56 2j45 s VAL 243 Ca 0.20 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2j45 s VAL 243 Cb -0.10 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.92 2j45 s VAL 243 CO 0.11 0.44 0.19 -0.76 0.00 0.00 0.00 175.10 175.08 2j45 s LEU 244 N 1.12 4.44 0.54 3.92 1.43 -0.76 -0.81 118.68 128.55 2j45 s LEU 244 Ca -0.04 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2j45 s LEU 244 Cb -0.14 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2j45 s LEU 244 CO -0.04 -0.28 0.77 0.42 0.23 0.00 0.00 176.35 177.45 2j45 s THR 245 N 1.61 2.86 -1.42 5.49 -4.23 -0.01 -0.34 115.64 119.60 2j45 s THR 245 Ca 0.04 -0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 59.83 2j45 s THR 245 Cb -0.18 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.65 2j45 s THR 245 CO 0.07 -0.06 0.66 0.29 -0.54 0.00 0.00 174.62 175.05 2j45 n LYS 246 N -2.33 -4.22 0.28 3.99 5.02 -1.19 -0.91 118.16 118.79 2j45 n LYS 246 Ca 0.07 0.57 0.18 0.00 -2.02 0.00 0.00 58.31 57.11 2j45 n LYS 246 Cb 0.59 -5.36 0.78 0.00 -0.02 0.00 0.00 35.03 31.03 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 -1.38 0.00 0.00 -0.35 3.38 -1.57 -1.75 115.31 113.64 2j45 h LEU 247 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2j45 h LEU 247 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2j45 h LEU 247 CO 0.59 0.00 -0.02 -0.90 0.09 0.00 0.00 178.44 178.20 2j45 n ASP 248 N -3.00 0.58 -1.08 -0.43 5.75 -1.26 -2.24 116.55 114.86 2j45 n ASP 248 Ca -0.00 0.54 0.12 0.00 -0.01 0.00 0.00 54.79 55.44 2j45 n ASP 248 Cb 0.24 -0.68 0.20 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.37 1.47 3.55 6.12 0.00 -0.67 -4.88 105.19 112.14 2j45 n GLY 249 Ca 0.06 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2j45 n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j45 s ASP 250 N -1.63 5.36 0.13 1.61 -1.08 -0.95 -4.80 116.67 115.31 2j45 s ASP 250 Ca 0.36 0.13 0.03 0.00 -0.52 0.00 0.00 52.55 52.55 2j45 s ASP 250 Cb 0.22 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.99 2j45 s ASP 250 CO 0.31 -2.35 1.28 0.00 0.52 0.00 0.00 175.17 174.94 2j45 h ALA 251 N 14.03 0.36 0.00 3.66 0.00 -1.91 -0.96 119.26 134.44 2j45 h ALA 251 Ca -0.22 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2j45 h ALA 251 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2j45 h ALA 251 CO 1.23 1.08 -0.08 0.54 0.00 0.00 0.00 179.25 182.01 2j45 n ARG 252 N -3.49 0.04 0.00 0.00 1.74 -1.26 -2.98 116.66 110.71 2j45 n ARG 252 Ca -0.03 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2j45 n ARG 252 Cb 0.91 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 2j45 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j45 n GLY 253 N 2.51 0.93 0.26 -0.13 0.00 -1.26 -4.48 105.19 103.02 2j45 n GLY 253 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2j45 n GLY 253 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j45 h GLY 254 N 0.00 0.79 0.95 -0.02 0.00 -1.50 -2.30 103.07 100.99 2j45 h GLY 254 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2j45 h GLY 254 CO 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 176.54 176.38 2j45 h ALA 255 N 1.64 0.18 -0.58 3.60 0.00 -1.77 -1.41 119.26 120.92 2j45 h ALA 255 Ca 0.38 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2j45 h ALA 255 Cb 0.65 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2j45 h ALA 255 CO -0.60 -0.29 0.12 0.00 0.00 0.00 0.00 179.25 178.49 2j45 h ALA 256 N 0.99 1.12 0.00 0.00 0.00 -1.79 -1.80 119.26 117.78 2j45 h ALA 256 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2j45 h ALA 256 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2j45 h ALA 256 CO -0.01 0.59 -0.12 -0.07 0.00 0.00 0.00 179.25 179.63 2j45 h LEU 257 N 0.87 0.00 0.00 0.00 3.38 -1.16 -3.28 115.31 115.13 2j45 h LEU 257 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2j45 h LEU 257 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2j45 h LEU 257 CO 0.00 0.12 -1.47 -1.20 0.09 0.00 0.00 178.44 175.99 2j45 n SER 258 N -3.21 0.60 -0.14 -0.43 7.64 -0.56 -4.58 113.62 112.94 2j45 n SER 258 Ca 0.01 -0.45 -0.09 0.00 1.01 0.00 0.00 58.87 59.35 2j45 n SER 258 Cb 0.44 1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 65.14 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 2.31 0.55 -0.06 -0.43 0.00 -1.39 -0.91 119.26 119.33 2j45 h ALA 259 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2j45 h ALA 259 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2j45 h ALA 259 CO 0.00 0.12 -0.08 -0.09 0.00 0.00 0.00 179.25 179.20 2j45 h ARG 260 N 0.54 -0.10 0.40 0.00 2.43 -1.77 0.11 114.38 116.00 2j45 h ARG 260 Ca 0.14 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2j45 h ARG 260 Cb 0.14 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2j45 h ARG 260 CO -0.02 -0.07 -0.31 1.25 -1.51 0.00 0.00 179.97 179.31 2j45 h HIS 261 N -0.11 -0.83 0.07 2.20 2.76 -1.80 -1.16 115.15 116.29 2j45 h HIS 261 Ca 0.05 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.98 2j45 h HIS 261 Cb 0.18 0.31 0.02 0.00 1.55 0.00 0.00 27.41 29.47 2j45 h HIS 261 CO -0.17 -0.46 -1.00 0.28 -1.30 0.00 0.00 177.93 175.28 2j45 h VAL 262 N -0.71 1.35 0.00 5.26 2.07 -1.05 -3.38 116.25 119.80 2j45 h VAL 262 Ca -0.04 -2.34 -0.19 0.00 0.82 0.00 0.00 66.70 64.96 2j45 h VAL 262 Cb 0.61 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 2j45 h VAL 262 CO -0.01 0.70 -2.08 0.35 0.02 0.00 0.00 177.57 176.55 2j45 n THR 263 N -3.95 0.72 -1.12 2.57 -2.24 0.38 -5.00 114.28 105.64 2j45 n THR 263 Ca -0.12 -0.63 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 2j45 n THR 263 Cb 0.87 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.70 0.58 3.63 3.38 0.00 -0.44 -5.01 105.19 109.04 2j45 n GLY 264 Ca -0.19 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.80 2.73 0.54 1.61 -0.14 -1.26 -5.03 119.74 116.40 2j45 s LYS 265 Ca 0.00 -0.60 -0.18 0.00 -1.36 0.00 0.00 55.97 53.82 2j45 s LYS 265 Cb 0.00 -2.62 -0.06 0.00 -1.68 0.00 0.00 37.83 33.47 2j45 s LYS 265 CO 0.00 0.64 1.06 -1.25 -0.76 0.00 0.00 175.35 175.04 2j45 s PRO 266 N -1.27 3.53 -0.42 -1.68 0.04 -1.26 -4.41 135.00 129.53 2j45 s PRO 266 Ca 0.16 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.37 2j45 s PRO 266 Cb -0.11 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2j45 s PRO 266 CO 0.06 -0.66 0.43 0.42 0.04 0.00 0.00 177.00 177.29 2j45 s ILE 267 N -2.14 5.10 -0.03 0.56 1.01 -1.26 -0.60 121.20 123.84 2j45 s ILE 267 Ca 0.67 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 2j45 s ILE 267 Cb -0.17 -4.02 -0.30 0.00 0.01 0.00 0.00 42.46 37.98 2j45 s ILE 267 CO 0.28 -0.40 0.74 1.88 0.00 0.00 0.00 174.94 177.44 2j45 h TYR 268 N 8.71 0.63 -3.90 3.97 0.05 -1.29 -3.42 116.97 121.72 2j45 h TYR 268 Ca -0.27 -0.46 -0.30 0.00 0.05 0.00 0.00 58.73 57.75 2j45 h TYR 268 Cb 1.11 -0.03 -0.20 0.00 1.01 0.00 0.00 36.73 38.63 2j45 h TYR 268 CO 0.62 1.56 -0.74 -0.06 -1.05 0.00 0.00 178.16 178.50 2j45 s PHE 269 N -2.59 0.87 -0.11 4.88 0.40 -1.22 -1.61 117.98 118.60 2j45 s PHE 269 Ca -0.13 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 2j45 s PHE 269 Cb 0.06 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 43.08 2j45 s PHE 269 CO 0.86 -0.05 -0.19 0.00 0.70 0.00 0.00 175.22 176.54 2j45 s ALA 270 N -1.81 2.37 -0.41 5.36 0.00 0.87 -1.83 121.76 126.31 2j45 s ALA 270 Ca -0.03 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2j45 s ALA 270 Cb -0.07 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2j45 s ALA 270 CO 0.00 0.28 0.72 0.20 0.00 0.00 0.00 175.76 176.95 2j45 s GLY 271 N 0.33 1.67 0.00 0.00 0.00 0.54 -0.92 107.32 108.94 2j45 s GLY 271 Ca -0.15 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 43.69 2j45 s GLY 271 CO 0.07 1.65 0.58 3.33 0.00 0.00 0.00 173.10 178.74 2j45 n VAL 272 N 5.86 0.00 -3.74 1.40 0.24 -0.94 -1.73 118.33 119.42 2j45 n VAL 272 Ca 0.01 -0.47 -0.02 0.00 -2.04 0.00 0.00 64.34 61.81 2j45 n VAL 272 Cb 0.48 1.10 -0.01 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.75 -0.14 0.00 -1.34 1.04 -1.22 -4.55 113.70 106.74 2j45 s SER 273 Ca 0.06 -0.38 0.30 0.00 0.48 0.00 0.00 55.95 56.41 2j45 s SER 273 Cb 0.05 0.43 1.42 0.00 0.10 0.00 0.00 66.02 68.02 2j45 s SER 273 CO 0.11 -0.80 1.96 -0.62 0.98 0.00 0.00 173.24 174.87 2j45 n GLU 274 N -0.49 0.90 -0.12 4.02 -0.58 -1.26 -4.58 120.64 118.53 2j45 n GLU 274 Ca -0.06 -0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.29 2j45 n GLU 274 Cb 0.61 -1.49 0.13 0.00 -0.57 0.00 0.00 31.44 30.11 2j45 n GLU 274 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2j45 n LYS 275 N -0.83 -2.96 0.05 3.49 4.76 -1.26 -4.97 118.16 116.44 2j45 n LYS 275 Ca 0.18 -0.63 -0.12 0.00 -2.87 0.00 0.00 58.31 54.87 2j45 n LYS 275 Cb 0.24 -0.85 -0.14 0.00 -1.84 0.00 0.00 35.03 32.44 2j45 n LYS 275 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2j45 h PRO 276 N 0.00 0.13 -0.18 1.97 0.11 -2.01 -3.19 132.00 128.82 2j45 h PRO 276 Ca -0.17 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2j45 h PRO 276 Cb 0.57 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2j45 h PRO 276 CO 0.10 0.96 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 2j45 n GLU 277 N -3.34 1.74 -1.41 1.05 0.00 -1.26 -4.38 120.64 113.04 2j45 n GLU 277 Ca -0.11 -1.11 -0.26 0.00 0.00 0.00 0.00 57.16 55.67 2j45 n GLU 277 Cb 1.01 -1.38 -0.03 0.00 0.00 0.00 0.00 31.44 31.04 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 1.12 4.41 2.95 -1.84 0.00 -1.21 -4.61 105.19 106.01 2j45 n GLY 278 Ca 0.16 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.26 1.36 0.11 0.99 2.96 -1.26 -2.21 118.68 118.37 2j45 s LEU 279 Ca 0.54 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2j45 s LEU 279 Cb 0.37 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 2j45 s LEU 279 CO -0.19 -0.06 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.06 2j45 s GLU 280 N 1.24 0.90 0.52 1.98 2.02 -0.10 -4.98 118.70 120.29 2j45 s GLU 280 Ca -0.04 -1.21 -0.22 0.00 0.02 0.00 0.00 54.97 53.53 2j45 s GLU 280 Cb -0.14 -0.61 -0.07 0.00 0.10 0.00 0.00 34.13 33.41 2j45 s GLU 280 CO -0.03 0.10 1.14 -2.30 0.02 0.00 0.00 175.26 174.19 2j45 n PRO 281 N 0.47 1.40 -3.13 0.39 -0.02 -1.26 -0.09 135.00 132.75 2j45 n PRO 281 Ca -0.15 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 2j45 n PRO 281 Cb 0.58 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.35 3.45 -0.58 6.00 5.36 -0.63 -4.53 117.98 125.70 2j45 s PHE 282 Ca 0.70 1.01 -0.00 0.00 -0.96 0.00 0.00 56.93 57.68 2j45 s PHE 282 Cb -0.46 -2.76 0.15 0.00 -0.34 0.00 0.00 43.02 39.61 2j45 s PHE 282 CO 0.51 -0.05 0.37 0.71 -1.46 0.00 0.00 175.22 175.30 2j45 s TYR 283 N 1.40 3.33 0.10 10.12 2.02 -1.26 -4.46 117.35 128.60 2j45 s TYR 283 Ca 0.31 -2.90 -0.25 0.00 -0.37 0.00 0.00 57.07 53.86 2j45 s TYR 283 Cb -0.16 -3.05 -0.13 0.00 -0.40 0.00 0.00 41.96 38.22 2j45 s TYR 283 CO 0.12 -0.80 1.70 -1.35 -1.57 0.00 0.00 175.55 173.65 2j45 h PRO 284 N 6.83 -0.23 -0.55 -1.71 0.11 -1.84 -0.01 132.00 134.59 2j45 h PRO 284 Ca -0.04 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2j45 h PRO 284 Cb 0.93 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2j45 h PRO 284 CO 0.70 -0.15 0.22 1.49 -0.21 0.00 0.00 178.00 180.05 2j45 h GLU 285 N -0.24 0.82 -0.19 1.05 4.81 -1.84 0.16 114.58 119.15 2j45 h GLU 285 Ca 0.00 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2j45 h GLU 285 Cb 0.23 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 2j45 h GLU 285 CO -0.03 0.71 -0.21 0.00 -0.73 0.00 0.00 179.01 178.75 2j45 h ARG 286 N 0.75 -0.23 -0.81 1.92 3.08 -1.94 -1.97 114.38 115.18 2j45 h ARG 286 Ca 0.18 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.30 2j45 h ARG 286 Cb 0.20 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 2j45 h ARG 286 CO -0.02 -0.15 0.50 1.25 -1.07 0.00 0.00 179.97 180.48 2j45 h LEU 287 N -0.24 0.80 -0.46 3.04 5.85 -0.22 -1.23 115.31 122.85 2j45 h LEU 287 Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2j45 h LEU 287 Cb 0.42 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2j45 h LEU 287 CO -0.33 0.53 0.18 0.00 -0.34 0.00 0.00 178.44 178.48 2j45 h ALA 288 N 1.37 0.56 -0.69 1.25 0.00 -0.43 -0.24 119.26 121.09 2j45 h ALA 288 Ca 0.35 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 2j45 h ALA 288 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2j45 h ALA 288 CO -0.15 -0.21 0.21 0.78 0.00 0.00 0.00 179.25 179.88 2j45 h GLY 289 N 0.36 1.14 1.72 0.00 0.00 -0.49 -2.54 103.07 103.26 2j45 h GLY 289 Ca 0.22 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2j45 h GLY 289 CO -0.21 0.62 -0.51 3.21 0.00 0.00 0.00 176.54 179.66 2j45 h ARG 290 N 1.02 0.30 -0.94 4.80 2.47 -0.77 0.31 114.38 121.57 2j45 h ARG 290 Ca 0.22 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2j45 h ARG 290 Cb 0.30 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.59 2j45 h ARG 290 CO -0.01 0.75 0.62 0.82 0.56 0.00 0.00 179.97 182.71 2j45 h ILE 291 N 0.24 1.23 -0.20 2.04 2.04 -0.81 -2.87 117.51 119.19 2j45 h ILE 291 Ca 0.01 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2j45 h ILE 291 Cb 0.98 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2j45 h ILE 291 CO 0.08 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.64 2j45 n LEU 292 N -4.40 1.78 -0.45 1.44 4.77 -0.93 -4.48 117.00 114.73 2j45 n LEU 292 Ca 0.11 -0.76 -0.06 0.00 -0.03 0.00 0.00 56.01 55.27 2j45 n LEU 292 Cb 0.03 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2j45 n LEU 292 CO 0.37 0.38 -0.05 0.61 -1.33 0.00 0.00 177.39 177.36 2j45 n GLY 293 N 1.14 0.75 0.30 -0.72 0.00 -0.71 -4.91 105.19 101.04 2j45 n GLY 293 Ca 0.16 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.53 2j45 n GLY 293 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2j45 n MET 294 N -2.73 1.27 0.00 1.61 2.81 0.02 -5.02 117.12 115.08 2j45 n MET 294 Ca -0.06 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 2j45 n MET 294 Cb 0.21 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2j45 n MET 294 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2j45 n GLY 295 N 1.18 -2.53 1.19 3.03 0.00 -1.26 -4.58 105.19 102.23 2j45 n GLY 295 Ca 0.18 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 2j45 n GLY 295 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j45 n ASP 296 N -0.35 3.05 0.00 1.61 2.03 -1.26 -4.33 116.55 117.30 2j45 n ASP 296 Ca 0.00 -3.52 0.00 0.00 0.52 0.00 0.00 54.79 51.79 2j45 n ASP 296 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2j45 n ASP 296 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83