#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ry1 n PHE 2 N 0.00 2.65 -0.25 1.12 0.99 -1.26 -4.45 117.46 116.27 1ry1 n PHE 2 Ca 0.00 -2.34 0.12 0.00 -0.00 0.00 0.00 57.45 55.23 1ry1 n PHE 2 Cb 0.00 -0.93 0.24 0.00 -1.00 0.00 0.00 39.48 37.78 1ry1 n PHE 2 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1ry1 n GLN 3 N -0.97 -0.06 0.05 -1.08 -0.06 -1.26 -1.10 117.38 112.90 1ry1 n GLN 3 Ca 0.52 1.07 -0.05 0.00 -2.00 0.00 0.00 57.00 56.55 1ry1 n GLN 3 Cb 1.01 -1.73 -0.03 0.00 -4.06 0.00 0.00 30.24 25.44 1ry1 n GLN 3 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1ry1 h GLN 4 N 0.00 -0.23 -0.64 3.69 5.75 -1.88 0.14 115.11 121.95 1ry1 h GLN 4 Ca 0.46 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 59.00 1ry1 h GLN 4 Cb 0.98 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 1ry1 h GLN 4 CO -0.67 -0.15 0.43 1.25 -2.65 0.00 0.00 178.83 177.04 1ry1 h LEU 5 N -0.24 0.69 0.37 -2.39 5.85 -1.39 -1.88 115.31 116.33 1ry1 h LEU 5 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ry1 h LEU 5 Cb 0.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ry1 h LEU 5 CO -0.05 0.48 -0.28 0.28 -0.34 0.00 0.00 178.44 178.53 1ry1 h SER 6 N 0.80 -0.74 -0.72 1.25 0.02 -0.73 0.64 113.55 114.07 1ry1 h SER 6 Ca 0.25 0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.44 1ry1 h SER 6 Cb 0.01 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1ry1 h SER 6 CO -0.06 -0.40 0.51 0.00 -1.14 0.00 0.00 176.83 175.73 1ry1 h ALA 7 N -1.40 2.55 0.06 3.77 0.00 -0.59 0.06 119.26 123.70 1ry1 h ALA 7 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ry1 h ALA 7 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ry1 h ALA 7 CO 0.02 -0.75 -0.03 -0.09 0.00 0.00 0.00 179.25 178.40 1ry1 h ARG 8 N 0.09 -0.07 0.00 0.00 9.65 -0.63 -2.97 114.38 120.45 1ry1 h ARG 8 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1ry1 h ARG 8 Cb 1.25 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1ry1 h ARG 8 CO -0.03 0.45 0.00 1.28 2.80 0.00 0.00 179.97 184.46 1ry1 n LEU 9 N -4.86 0.11 0.02 3.80 4.77 0.22 -3.25 117.00 117.81 1ry1 n LEU 9 Ca -0.09 0.53 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1ry1 n LEU 9 Cb 0.28 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1ry1 n LEU 9 CO 0.32 -0.34 0.15 1.56 -1.33 0.00 0.00 177.39 177.75 1ry1 h GLN 10 N 0.00 -0.15 -0.93 3.23 1.08 -0.90 -3.06 115.11 114.38 1ry1 h GLN 10 Ca 0.00 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.36 1ry1 h GLN 10 Cb 0.24 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.61 1ry1 h GLN 10 CO 0.00 0.06 0.53 0.93 -0.95 0.00 0.00 178.83 179.41 1ry1 h GLU 11 N -1.02 0.74 -0.13 1.46 5.08 -1.50 0.60 114.58 119.81 1ry1 h GLU 11 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ry1 h GLU 11 Cb 0.29 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1ry1 h GLU 11 CO 0.03 0.49 -0.07 0.00 -1.00 0.00 0.00 179.01 178.46 1ry1 h ALA 12 N 1.57 0.05 0.01 3.43 0.00 -1.66 -1.80 119.26 120.86 1ry1 h ALA 12 Ca 0.50 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 1ry1 h ALA 12 Cb 0.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ry1 h ALA 12 CO -0.34 -0.52 -0.19 0.82 0.00 0.00 0.00 179.25 179.03 1ry1 h ILE 13 N -0.06 1.60 0.00 0.00 2.04 -1.18 -3.20 117.51 116.71 1ry1 h ILE 13 Ca 0.07 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.93 1ry1 h ILE 13 Cb 0.17 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1ry1 h ILE 13 CO -0.17 0.54 0.02 0.61 0.00 0.00 0.00 178.15 179.15 1ry1 n GLY 14 N 1.15 -0.39 0.91 5.37 0.00 0.20 -1.40 105.19 111.03 1ry1 n GLY 14 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1ry1 n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ry1 n ARG 15 N -1.39 2.31 0.00 1.61 0.63 -0.68 -4.04 116.66 115.10 1ry1 n ARG 15 Ca 0.00 -1.20 0.00 0.00 -0.92 0.00 0.00 57.85 55.73 1ry1 n ARG 15 Cb 0.02 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1ry1 n ARG 15 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ry1 n LEU 16 N 0.28 0.00 0.03 6.15 4.77 -0.49 -4.87 117.00 122.87 1ry1 n LEU 16 Ca 0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1ry1 n LEU 16 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1ry1 n LEU 16 CO 0.11 0.00 0.50 -0.09 -1.33 0.00 0.00 177.39 176.58 1ry1 h ARG 17 N 0.00 -0.09 0.00 3.23 2.43 -1.70 -2.94 114.38 115.31 1ry1 h ARG 17 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ry1 h ARG 17 Cb 0.35 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ry1 h ARG 17 CO 0.00 -0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.81 1ry1 n GLY 18 N -1.05 0.00 0.12 2.80 0.00 -1.26 -2.14 105.19 103.67 1ry1 n GLY 18 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1ry1 n GLY 18 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ry1 h ARG 19 N 0.00 0.32 -3.01 1.61 3.08 -1.85 -3.50 114.38 111.02 1ry1 h ARG 19 Ca 0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1ry1 h ARG 19 Cb 0.00 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1ry1 h ARG 19 CO 0.00 1.26 -0.23 0.41 -1.07 0.00 0.00 179.97 180.34 1ry1 n GLY 20 N 1.72 -3.32 1.30 0.04 0.00 -0.91 -4.97 105.19 99.05 1ry1 n GLY 20 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ry1 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ry1 n ARG 21 N 0.28 -3.71 -4.15 1.61 3.00 -1.17 -5.01 116.66 107.51 1ry1 n ARG 21 Ca -0.05 2.74 -0.12 0.00 -0.00 0.00 0.00 57.85 60.43 1ry1 n ARG 21 Cb 0.07 -3.07 -0.11 0.00 0.00 0.00 0.00 32.46 29.36 1ry1 n ARG 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1ry1 s ILE 22 N -2.77 0.74 0.13 5.15 2.07 -1.26 -4.98 121.20 120.27 1ry1 s ILE 22 Ca 0.00 -1.68 0.02 0.00 -1.41 0.00 0.00 60.65 57.58 1ry1 s ILE 22 Cb 0.00 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.18 1ry1 s ILE 22 CO 0.00 -0.68 0.24 0.42 -1.91 0.00 0.00 174.94 173.01 1ry1 s THR 23 N -2.82 5.21 0.32 4.00 -4.23 -1.26 -4.61 115.64 112.25 1ry1 s THR 23 Ca 0.06 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 1ry1 s THR 23 Cb -0.00 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.51 1ry1 s THR 23 CO -0.02 -0.03 1.78 -0.08 -0.54 0.00 0.00 174.62 175.73 1ry1 h GLU 24 N 2.43 0.68 -0.94 3.99 4.81 -1.98 0.21 114.58 123.77 1ry1 h GLU 24 Ca -0.48 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1ry1 h GLU 24 Cb 1.19 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 1ry1 h GLU 24 CO 0.70 0.45 0.61 1.49 -0.73 0.00 0.00 179.01 181.52 1ry1 h GLU 25 N 0.70 1.13 -0.02 1.92 4.57 -1.99 0.12 114.58 121.00 1ry1 h GLU 25 Ca 0.57 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.57 1ry1 h GLU 25 Cb 0.98 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 1ry1 h GLU 25 CO -0.36 0.75 -0.54 -0.44 -1.18 0.00 0.00 179.01 177.24 1ry1 h ASP 26 N 1.16 0.06 -0.36 1.04 3.45 -1.03 -2.68 116.42 118.07 1ry1 h ASP 26 Ca 0.38 -0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.67 1ry1 h ASP 26 Cb 0.04 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1ry1 h ASP 26 CO -0.13 0.59 -0.34 0.25 -1.57 0.00 0.00 179.24 178.04 1ry1 h LEU 27 N 0.04 0.92 -1.12 1.55 5.85 0.13 -2.06 115.31 120.63 1ry1 h LEU 27 Ca -0.00 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1ry1 h LEU 27 Cb 0.97 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1ry1 h LEU 27 CO 0.07 1.19 -0.06 0.50 -0.34 0.00 0.00 178.44 179.81 1ry1 h LYS 28 N 0.67 0.55 -0.42 1.25 3.64 -0.73 0.22 116.57 121.74 1ry1 h LYS 28 Ca 0.06 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1ry1 h LYS 28 Cb 0.92 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1ry1 h LYS 28 CO 0.09 0.62 -0.20 0.00 -2.27 0.00 0.00 179.45 177.68 1ry1 h ALA 29 N 1.42 0.59 -0.24 5.00 0.00 -1.33 -1.32 119.26 123.39 1ry1 h ALA 29 Ca 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1ry1 h ALA 29 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ry1 h ALA 29 CO 0.02 0.56 0.04 1.15 0.00 0.00 0.00 179.25 181.02 1ry1 h THR 30 N 0.70 1.23 -0.59 0.00 2.02 -0.97 -2.20 112.91 113.09 1ry1 h THR 30 Ca 0.09 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1ry1 h THR 30 Cb 0.77 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1ry1 h THR 30 CO 0.06 0.24 0.39 -0.07 0.37 0.00 0.00 175.52 176.52 1ry1 h LEU 31 N 0.20 0.66 -0.53 2.58 3.38 -0.85 0.13 115.31 120.88 1ry1 h LEU 31 Ca 0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1ry1 h LEU 31 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ry1 h LEU 31 CO 0.00 0.47 -0.08 -0.09 0.09 0.00 0.00 178.44 178.84 1ry1 h ARG 32 N 0.78 1.00 0.12 1.13 2.43 -1.05 0.26 114.38 119.06 1ry1 h ARG 32 Ca 0.22 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1ry1 h ARG 32 Cb -0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1ry1 h ARG 32 CO -0.05 1.04 -0.06 0.93 -1.51 0.00 0.00 179.97 180.32 1ry1 h GLU 33 N 0.87 -0.16 -0.52 0.20 5.08 -0.64 0.06 114.58 119.47 1ry1 h GLU 33 Ca 0.14 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1ry1 h GLU 33 Cb 0.64 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 1ry1 h GLU 33 CO 0.04 -0.01 0.18 0.82 -1.00 0.00 0.00 179.01 179.04 1ry1 h ILE 34 N -0.28 0.80 -0.50 3.13 2.04 -0.60 -0.04 117.51 122.05 1ry1 h ILE 34 Ca -0.02 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1ry1 h ILE 34 Cb 0.23 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1ry1 h ILE 34 CO 0.03 0.06 0.21 -0.09 0.00 0.00 0.00 178.15 178.37 1ry1 h ARG 35 N 0.35 0.72 -0.17 2.37 9.65 -0.19 -2.02 114.38 125.09 1ry1 h ARG 35 Ca 0.25 -0.10 -0.20 0.00 -1.10 0.00 0.00 59.98 58.84 1ry1 h ARG 35 Cb 0.29 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1ry1 h ARG 35 CO -0.27 0.58 -0.70 0.00 2.80 0.00 0.00 179.97 182.38 1ry1 h ARG 36 N 0.71 0.69 -0.73 0.20 3.08 0.03 -2.60 114.38 115.77 1ry1 h ARG 36 Ca 0.17 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1ry1 h ARG 36 Cb 0.12 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1ry1 h ARG 36 CO -0.02 1.14 0.45 0.00 -1.07 0.00 0.00 179.97 180.47 1ry1 h ALA 37 N 0.72 0.92 -0.14 0.04 0.00 -0.61 0.42 119.26 120.61 1ry1 h ALA 37 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ry1 h ALA 37 Cb 1.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1ry1 h ALA 37 CO 0.14 0.38 0.06 -0.07 0.00 0.00 0.00 179.25 179.76 1ry1 h LEU 38 N 0.99 0.19 -0.36 0.00 3.38 -1.34 -0.71 115.31 117.46 1ry1 h LEU 38 Ca 0.26 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ry1 h LEU 38 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1ry1 h LEU 38 CO -0.05 0.30 0.23 0.24 0.09 0.00 0.00 178.44 179.25 1ry1 h MET 39 N 0.07 0.46 0.00 1.13 2.86 -1.21 -0.38 114.93 117.87 1ry1 h MET 39 Ca 0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ry1 h MET 39 Cb 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1ry1 h MET 39 CO -0.00 0.30 0.00 -0.44 1.06 0.00 0.00 176.91 177.83 1ry1 h ASP 40 N 0.47 0.00 -0.47 1.22 3.45 -0.70 0.61 116.42 121.01 1ry1 h ASP 40 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1ry1 h ASP 40 Cb -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1ry1 h ASP 40 CO -0.04 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.63 1ry1 n ALA 41 N -1.95 3.61 -2.45 3.45 0.00 -0.25 -4.91 120.51 118.03 1ry1 n ALA 41 Ca -0.01 -1.55 -0.19 0.00 0.00 0.00 0.00 53.44 51.69 1ry1 n ALA 41 Cb 0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1ry1 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ry1 n ASP 42 N 0.52 -5.40 -4.72 0.00 4.64 0.21 -1.20 116.55 110.60 1ry1 n ASP 42 Ca 0.23 0.02 -0.41 0.00 -1.38 0.00 0.00 54.79 53.25 1ry1 n ASP 42 Cb 1.01 -4.50 -0.04 0.00 -1.04 0.00 0.00 41.12 36.55 1ry1 n ASP 42 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1ry1 s VAL 43 N -2.94 4.62 -0.40 5.18 1.01 -0.62 -4.44 120.40 122.81 1ry1 s VAL 43 Ca 0.02 2.06 -0.44 0.00 0.00 0.00 0.00 61.98 63.62 1ry1 s VAL 43 Cb -0.01 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 31.87 1ry1 s VAL 43 CO 0.02 0.27 1.66 -3.20 0.00 0.00 0.00 175.10 173.85 1ry1 n ASN 44 N 3.14 1.71 -0.32 3.32 2.85 -1.26 -4.57 115.26 120.12 1ry1 n ASN 44 Ca 0.03 1.14 0.24 0.00 -0.11 0.00 0.00 54.58 55.88 1ry1 n ASN 44 Cb 0.50 -0.99 0.46 0.00 1.24 0.00 0.00 39.78 40.98 1ry1 n ASN 44 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ry1 h LEU 45 N 5.94 0.15 -0.05 1.20 3.38 -1.96 0.33 115.31 124.30 1ry1 h LEU 45 Ca -0.45 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ry1 h LEU 45 Cb 1.35 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1ry1 h LEU 45 CO 0.97 -0.31 0.03 -0.08 0.09 0.00 0.00 178.44 179.13 1ry1 h GLU 46 N 0.10 0.07 -0.77 1.13 4.57 -2.00 -1.55 114.58 116.13 1ry1 h GLU 46 Ca 0.73 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.91 1ry1 h GLU 46 Cb 1.75 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.28 1ry1 h GLU 46 CO -0.75 0.16 0.51 0.28 -1.18 0.00 0.00 179.01 178.03 1ry1 h VAL 47 N -0.03 1.20 -0.72 0.32 2.07 -0.76 -2.03 116.25 116.30 1ry1 h VAL 47 Ca 0.02 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1ry1 h VAL 47 Cb 0.11 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1ry1 h VAL 47 CO -0.00 0.19 0.36 0.00 0.02 0.00 0.00 177.57 178.14 1ry1 h ALA 48 N 1.28 0.93 -0.30 1.67 0.00 -0.86 0.44 119.26 122.43 1ry1 h ALA 48 Ca 0.28 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ry1 h ALA 48 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1ry1 h ALA 48 CO -0.06 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.62 1ry1 h ARG 49 N 1.01 0.55 -0.54 0.00 3.08 -1.05 -2.79 114.38 114.65 1ry1 h ARG 49 Ca 0.25 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ry1 h ARG 49 Cb 0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1ry1 h ARG 49 CO -0.03 0.73 0.32 -0.44 -1.07 0.00 0.00 179.97 179.48 1ry1 h ASP 50 N 0.33 0.65 -0.00 7.04 3.45 -1.18 -1.93 116.42 124.78 1ry1 h ASP 50 Ca 0.08 -0.06 0.01 0.00 0.43 0.00 0.00 57.03 57.48 1ry1 h ASP 50 Cb 0.51 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 1ry1 h ASP 50 CO 0.02 0.52 -0.21 0.15 -1.57 0.00 0.00 179.24 178.16 1ry1 h PHE 51 N 0.72 -0.61 -0.70 4.55 3.04 -0.81 0.13 116.94 123.26 1ry1 h PHE 51 Ca 0.19 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.22 1ry1 h PHE 51 Cb -0.00 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1ry1 h PHE 51 CO -0.02 -0.22 0.46 -0.24 -2.02 0.00 0.00 178.31 176.27 1ry1 h VAL 52 N -0.26 1.03 -0.50 1.41 3.04 -1.49 0.35 116.25 119.83 1ry1 h VAL 52 Ca 0.00 -0.26 -0.07 0.00 -1.01 0.00 0.00 66.70 65.37 1ry1 h VAL 52 Cb 0.28 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 1ry1 h VAL 52 CO -0.14 0.14 0.04 -0.08 -1.01 0.00 0.00 177.57 176.52 1ry1 h GLU 53 N 0.75 0.86 -0.24 4.17 4.57 -0.98 0.66 114.58 124.37 1ry1 h GLU 53 Ca 0.30 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1ry1 h GLU 53 Cb 0.23 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1ry1 h GLU 53 CO -0.10 0.87 0.15 -0.09 -1.18 0.00 0.00 179.01 178.67 1ry1 h ARG 54 N 0.73 0.32 -0.99 1.92 9.65 0.46 -1.69 114.38 124.78 1ry1 h ARG 54 Ca 0.15 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1ry1 h ARG 54 Cb 0.45 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 1ry1 h ARG 54 CO 0.02 0.23 0.66 0.28 2.80 0.00 0.00 179.97 183.95 1ry1 h VAL 55 N 0.31 1.23 0.63 0.20 2.07 -0.72 -0.69 116.25 119.29 1ry1 h VAL 55 Ca 0.09 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1ry1 h VAL 55 Cb -0.01 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.54 1ry1 h VAL 55 CO -0.02 0.24 -0.50 -0.09 0.02 0.00 0.00 177.57 177.22 1ry1 h ARG 56 N 1.32 -1.06 0.28 1.57 2.43 -0.16 0.29 114.38 119.05 1ry1 h ARG 56 Ca 0.37 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1ry1 h ARG 56 Cb -0.11 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1ry1 h ARG 56 CO -0.09 -0.70 -0.22 0.93 -1.51 0.00 0.00 179.97 178.38 1ry1 h GLU 57 N -1.10 -0.49 -0.67 0.20 5.08 -1.17 0.54 114.58 116.97 1ry1 h GLU 57 Ca -0.08 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1ry1 h GLU 57 Cb 0.92 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.20 1ry1 h GLU 57 CO 0.01 -0.33 0.28 1.49 -1.00 0.00 0.00 179.01 179.47 1ry1 h GLU 58 N -0.51 0.46 -0.01 2.33 4.57 -1.12 0.42 114.58 120.72 1ry1 h GLU 58 Ca -0.02 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1ry1 h GLU 58 Cb 0.45 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1ry1 h GLU 58 CO -0.01 0.30 -0.04 0.00 -1.18 0.00 0.00 179.01 178.08 1ry1 h ALA 59 N 1.45 -0.04 -0.51 2.92 0.00 0.03 0.02 119.26 123.13 1ry1 h ALA 59 Ca 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ry1 h ALA 59 Cb 0.43 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ry1 h ALA 59 CO -0.32 -0.54 0.25 -0.07 0.00 0.00 0.00 179.25 178.58 1ry1 h LEU 60 N -0.07 0.66 -1.98 0.00 3.38 -0.11 -1.90 115.31 115.29 1ry1 h LEU 60 Ca 0.02 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ry1 h LEU 60 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ry1 h LEU 60 CO -0.05 0.60 0.11 1.23 0.09 0.00 0.00 178.44 180.42 1ry1 h GLY 61 N 0.67 0.03 -0.76 0.83 0.00 0.22 0.12 103.07 104.18 1ry1 h GLY 61 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ry1 h GLY 61 CO -0.02 0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1ry1 n LYS 62 N -4.50 1.47 -3.61 4.80 4.76 -0.04 -4.89 118.16 116.14 1ry1 n LYS 62 Ca 0.01 -0.63 -0.23 0.00 -2.87 0.00 0.00 58.31 54.58 1ry1 n LYS 62 Cb 0.23 -1.21 0.07 0.00 -1.84 0.00 0.00 35.03 32.28 1ry1 n LYS 62 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1ry1 n GLN 63 N 0.02 -7.31 -0.26 1.97 6.02 0.44 -4.91 117.38 113.35 1ry1 n GLN 63 Ca 0.06 0.79 0.02 0.00 -0.01 0.00 0.00 57.00 57.86 1ry1 n GLN 63 Cb 0.19 -5.81 0.15 0.00 1.02 0.00 0.00 30.24 25.79 1ry1 n GLN 63 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1ry1 h VAL 64 N -2.45 0.84 0.00 5.09 -1.51 -1.59 -0.40 116.25 116.23 1ry1 h VAL 64 Ca -0.58 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.66 1ry1 h VAL 64 Cb 1.36 0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1ry1 h VAL 64 CO 0.56 0.11 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.88 1ry1 h LEU 65 N 0.63 0.00 -5.12 4.19 3.38 -1.85 -2.58 115.31 113.95 1ry1 h LEU 65 Ca 0.37 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.60 1ry1 h LEU 65 Cb 0.39 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.84 1ry1 h LEU 65 CO -0.27 0.07 0.70 -0.62 0.09 0.00 0.00 178.44 178.41 1ry1 n GLU 66 N -3.86 3.29 -4.07 1.13 -0.58 -0.16 -4.50 120.64 111.90 1ry1 n GLU 66 Ca -0.02 -3.91 -0.18 0.00 -0.42 0.00 0.00 57.16 52.63 1ry1 n GLU 66 Cb 0.16 -2.30 -0.16 0.00 -0.57 0.00 0.00 31.44 28.57 1ry1 n GLU 66 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ry1 s SER 67 N -1.62 0.65 0.00 1.62 0.15 -0.97 -4.99 113.70 108.55 1ry1 s SER 67 Ca 0.49 -0.08 0.15 0.00 0.70 0.00 0.00 55.95 57.21 1ry1 s SER 67 Cb 0.39 -0.29 0.71 0.00 -1.71 0.00 0.00 66.02 65.12 1ry1 s SER 67 CO -0.33 -0.05 1.44 0.18 1.20 0.00 0.00 173.24 175.68 1ry1 n LEU 68 N 3.89 0.00 -3.23 3.45 4.77 -1.26 -3.03 117.00 121.59 1ry1 n LEU 68 Ca -0.24 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1ry1 n LEU 68 Cb 0.52 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1ry1 n LEU 68 CO 0.24 -0.18 -0.04 0.28 -1.33 0.00 0.00 177.39 176.35 1ry1 s THR 69 N -2.72 -0.62 0.08 -5.08 -1.32 -1.26 -3.95 115.64 100.77 1ry1 s THR 69 Ca 0.12 -0.74 -0.14 0.00 -1.21 0.00 0.00 61.69 59.72 1ry1 s THR 69 Cb 0.10 -0.37 -0.20 0.00 -1.51 0.00 0.00 72.50 70.52 1ry1 s THR 69 CO 0.24 -0.34 1.23 1.55 -2.21 0.00 0.00 174.62 175.10 1ry1 h PRO 70 N 6.67 0.72 -1.35 7.08 0.13 -1.82 -3.28 132.00 140.15 1ry1 h PRO 70 Ca 0.07 -0.69 0.42 0.00 -0.87 0.00 0.00 66.00 64.92 1ry1 h PRO 70 Cb 1.10 0.18 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 1ry1 h PRO 70 CO 0.15 1.28 0.90 0.00 -0.23 0.00 0.00 178.00 180.10 1ry1 h ALA 71 N 0.46 2.86 -0.00 -0.56 0.00 -1.85 0.42 119.26 120.58 1ry1 h ALA 71 Ca -0.09 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1ry1 h ALA 71 Cb 1.54 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ry1 h ALA 71 CO 0.18 -1.42 -0.73 0.93 0.00 0.00 0.00 179.25 178.21 1ry1 h GLU 72 N 0.11 0.50 -0.44 0.00 5.08 -1.92 -2.31 114.58 115.61 1ry1 h GLU 72 Ca 0.78 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ry1 h GLU 72 Cb 2.55 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.93 1ry1 h GLU 72 CO -0.30 1.17 0.28 0.28 -1.00 0.00 0.00 179.01 179.44 1ry1 h VAL 73 N 0.05 1.12 -0.05 3.13 2.07 -0.36 -0.96 116.25 121.25 1ry1 h VAL 73 Ca -0.09 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1ry1 h VAL 73 Cb 1.42 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ry1 h VAL 73 CO 0.14 0.12 -0.06 0.40 0.02 0.00 0.00 177.57 178.20 1ry1 h ILE 74 N 0.59 1.08 0.00 4.57 1.08 -1.16 -1.43 117.51 122.24 1ry1 h ILE 74 Ca 0.16 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1ry1 h ILE 74 Cb -0.05 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1ry1 h ILE 74 CO -0.03 0.10 -0.00 0.25 -0.69 0.00 0.00 178.15 177.78 1ry1 h LEU 75 N 0.08 -0.00 -0.84 1.44 5.85 -0.62 -0.75 115.31 120.45 1ry1 h LEU 75 Ca 0.02 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1ry1 h LEU 75 Cb 0.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1ry1 h LEU 75 CO 0.01 0.37 0.50 0.00 -0.34 0.00 0.00 178.44 178.99 1ry1 h ALA 76 N 0.61 1.07 -0.13 1.25 0.00 -0.82 0.80 119.26 122.05 1ry1 h ALA 76 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ry1 h ALA 76 Cb 0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ry1 h ALA 76 CO 0.00 0.54 -0.04 1.79 0.00 0.00 0.00 179.25 181.54 1ry1 h THR 77 N 1.16 1.29 -0.19 0.00 1.35 -1.26 -1.56 112.91 113.69 1ry1 h THR 77 Ca 0.30 -0.99 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 1ry1 h THR 77 Cb -0.04 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1ry1 h THR 77 CO -0.06 0.29 -0.08 0.58 -0.25 0.00 0.00 175.52 176.00 1ry1 h VAL 78 N -0.07 1.17 -0.28 6.82 2.07 -0.92 -1.03 116.25 124.01 1ry1 h VAL 78 Ca 0.03 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.70 1ry1 h VAL 78 Cb 0.46 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1ry1 h VAL 78 CO 0.01 0.23 -0.44 0.22 0.02 0.00 0.00 177.57 177.61 1ry1 h TYR 79 N 0.28 0.85 -0.61 1.57 3.20 -0.72 -1.63 116.97 119.92 1ry1 h TYR 79 Ca 0.06 -0.27 -0.10 0.00 3.14 0.00 0.00 58.73 61.57 1ry1 h TYR 79 Cb 0.32 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1ry1 h TYR 79 CO 0.01 1.02 -0.00 0.93 -1.64 0.00 0.00 178.16 178.48 1ry1 h GLU 80 N 0.57 1.07 -0.28 1.82 5.08 -0.51 -0.74 114.58 121.59 1ry1 h GLU 80 Ca 0.04 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1ry1 h GLU 80 Cb 0.99 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1ry1 h GLU 80 CO 0.09 1.04 -0.09 0.00 -1.00 0.00 0.00 179.01 179.06 1ry1 h ALA 81 N 0.99 0.39 -0.22 3.43 0.00 -1.12 -1.15 119.26 121.57 1ry1 h ALA 81 Ca 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ry1 h ALA 81 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ry1 h ALA 81 CO 0.03 0.23 0.13 -0.07 0.00 0.00 0.00 179.25 179.56 1ry1 h LEU 82 N 0.31 0.27 -0.23 0.00 3.38 -1.22 0.48 115.31 118.31 1ry1 h LEU 82 Ca 0.07 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ry1 h LEU 82 Cb 0.58 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1ry1 h LEU 82 CO 0.03 0.27 -0.03 0.50 0.09 0.00 0.00 178.44 179.30 1ry1 h LYS 83 N 0.26 0.03 -0.29 1.13 3.64 -1.07 0.29 116.57 120.56 1ry1 h LYS 83 Ca 0.08 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ry1 h LYS 83 Cb 0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1ry1 h LYS 83 CO -0.01 0.02 0.08 1.49 -2.27 0.00 0.00 179.45 178.76 1ry1 h GLU 84 N 0.04 0.47 -0.98 1.90 4.81 -0.98 0.68 114.58 120.52 1ry1 h GLU 84 Ca 0.11 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1ry1 h GLU 84 Cb 0.15 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 1ry1 h GLU 84 CO -0.21 0.54 0.63 0.00 -0.73 0.00 0.00 179.01 179.24 1ry1 h ALA 85 N 0.91 1.47 0.00 2.92 0.00 0.47 -0.71 119.26 124.32 1ry1 h ALA 85 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ry1 h ALA 85 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ry1 h ALA 85 CO 0.00 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1ry1 n LEU 86 N -4.52 0.48 0.00 0.00 4.77 0.98 -4.45 117.00 114.26 1ry1 n LEU 86 Ca 0.16 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1ry1 n LEU 86 Cb 0.23 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1ry1 n LEU 86 CO 0.31 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1ry1 n GLY 87 N 0.24 0.96 6.62 -0.72 0.00 -0.28 -4.76 105.19 107.25 1ry1 n GLY 87 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ry1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ry1 n GLY 88 N 0.00 1.65 3.76 -0.02 0.00 0.21 -4.82 105.19 105.97 1ry1 n GLY 88 Ca 0.00 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1ry1 n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ry1 s GLU 89 N 0.00 4.51 0.33 1.61 0.41 -1.26 -4.26 118.70 120.04 1ry1 s GLU 89 Ca 0.00 1.08 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 1ry1 s GLU 89 Cb 0.00 -3.33 -0.11 0.00 -1.78 0.00 0.00 34.13 28.91 1ry1 s GLU 89 CO 0.00 0.38 1.48 0.00 -0.49 0.00 0.00 175.26 176.63 1ry1 s ALA 90 N -0.40 3.62 0.18 5.21 0.00 -1.26 -4.94 121.76 124.18 1ry1 s ALA 90 Ca 0.37 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.89 1ry1 s ALA 90 Cb -0.21 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1ry1 s ALA 90 CO 0.24 -0.94 -0.12 1.03 0.00 0.00 0.00 175.76 175.97 1ry1 s ARG 91 N -1.38 1.23 -0.06 0.00 1.81 -1.26 -5.10 118.95 114.18 1ry1 s ARG 91 Ca 0.56 -1.54 -0.21 0.00 -1.72 0.00 0.00 55.73 52.82 1ry1 s ARG 91 Cb -0.45 -0.90 0.04 0.00 -0.45 0.00 0.00 34.95 33.19 1ry1 s ARG 91 CO 0.55 0.12 0.47 -0.51 -0.68 0.00 0.00 175.30 175.25 1ry1 s LEU 92 N -3.26 0.20 0.26 2.53 1.43 -1.26 -4.63 118.68 113.94 1ry1 s LEU 92 Ca 0.21 0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 1ry1 s LEU 92 Cb 0.01 1.79 -0.13 0.00 0.03 0.00 0.00 46.19 47.89 1ry1 s LEU 92 CO 0.05 -0.46 1.41 -2.65 0.23 0.00 0.00 176.35 174.93 1ry1 n PRO 93 N 1.41 2.12 -2.93 1.29 -0.02 -1.26 -4.92 135.00 130.68 1ry1 n PRO 93 Ca -0.19 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1ry1 n PRO 93 Cb 0.56 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1ry1 n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ry1 s VAL 94 N -0.18 4.74 0.27 -1.45 0.11 -1.26 -5.04 120.40 117.59 1ry1 s VAL 94 Ca 0.66 1.05 -0.27 0.00 -2.93 0.00 0.00 61.98 60.49 1ry1 s VAL 94 Cb -0.62 -4.20 -0.09 0.00 -1.53 0.00 0.00 36.38 29.94 1ry1 s VAL 94 CO 0.51 -0.37 0.91 -0.76 -3.33 0.00 0.00 175.10 172.06 1ry1 s LEU 95 N 3.08 4.48 0.00 2.54 1.43 -1.26 -5.07 118.68 123.89 1ry1 s LEU 95 Ca 0.33 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1ry1 s LEU 95 Cb -0.13 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1ry1 s LEU 95 CO 0.15 0.05 0.00 0.29 0.23 0.00 0.00 176.35 177.07 1ry1 n LYS 96 N 1.02 3.96 0.11 1.70 5.02 -1.26 -5.03 118.16 123.67 1ry1 n LYS 96 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 1ry1 n LYS 96 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.42 1ry1 n LYS 96 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1ry1 h ASP 97 N 0.00 -0.22 -4.06 4.39 -0.00 -1.97 -3.44 116.42 111.12 1ry1 h ASP 97 Ca 0.00 -0.18 -0.37 0.00 -0.00 0.00 0.00 57.03 56.48 1ry1 h ASP 97 Cb 0.00 0.06 -0.28 0.00 -0.00 0.00 0.00 39.33 39.11 1ry1 h ASP 97 CO 0.00 0.07 -0.77 -0.13 -0.00 0.00 0.00 179.24 178.41 1ry1 s ARG 98 N -5.10 0.64 0.02 0.28 0.52 -1.26 -4.91 118.95 109.14 1ry1 s ARG 98 Ca -0.15 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1ry1 s ARG 98 Cb 0.03 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 1ry1 s ARG 98 CO 0.61 0.16 -0.16 -0.80 0.02 0.00 0.00 175.30 175.13 1ry1 s ASN 99 N -0.33 1.92 -0.16 0.23 0.01 0.25 -5.03 114.94 111.83 1ry1 s ASN 99 Ca 0.02 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 51.74 1ry1 s ASN 99 Cb -0.04 -0.17 0.05 0.00 0.41 0.00 0.00 41.25 41.51 1ry1 s ASN 99 CO -0.00 0.13 0.04 -0.22 -1.51 0.00 0.00 177.10 175.53 1ry1 s LEU 100 N -0.85 0.89 0.13 0.60 0.20 -1.26 -0.35 118.68 118.04 1ry1 s LEU 100 Ca 0.05 -0.61 0.09 0.00 0.69 0.00 0.00 54.13 54.35 1ry1 s LEU 100 Cb -0.07 -0.49 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 1ry1 s LEU 100 CO 0.01 -0.29 -0.19 0.26 -0.29 0.00 0.00 176.35 175.85 1ry1 s TRP 101 N 1.94 2.50 0.01 5.38 0.51 0.62 0.58 118.94 130.47 1ry1 s TRP 101 Ca 0.01 -0.28 0.02 0.00 -2.12 0.00 0.00 56.10 53.73 1ry1 s TRP 101 Cb -0.16 -1.32 -0.04 0.00 -0.81 0.00 0.00 33.47 31.15 1ry1 s TRP 101 CO -0.07 0.39 0.00 -0.06 -0.51 0.00 0.00 176.95 176.70 1ry1 s PHE 102 N -1.20 3.07 -0.17 -1.98 0.40 -0.07 0.22 117.98 118.25 1ry1 s PHE 102 Ca 0.18 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 1ry1 s PHE 102 Cb -0.10 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.78 1ry1 s PHE 102 CO 0.10 0.46 -0.17 -0.51 0.70 0.00 0.00 175.22 175.80 1ry1 s LEU 103 N -1.64 2.33 0.18 -0.37 2.01 0.18 -0.59 118.68 120.78 1ry1 s LEU 103 Ca 0.20 -0.56 0.05 0.00 0.01 0.00 0.00 54.13 53.84 1ry1 s LEU 103 Cb -0.12 -1.53 -0.05 0.00 0.01 0.00 0.00 46.19 44.50 1ry1 s LEU 103 CO 0.11 0.03 -0.10 0.68 1.01 0.00 0.00 176.35 178.08 1ry1 s VAL 104 N 1.13 1.33 0.00 -1.59 -7.23 0.95 -2.23 120.40 112.75 1ry1 s VAL 104 Ca 0.01 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1ry1 s VAL 104 Cb -0.14 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1ry1 s VAL 104 CO -0.07 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.70 1ry1 n GLY 105 N -0.29 1.15 3.96 2.32 0.00 -1.26 0.18 105.19 111.25 1ry1 n GLY 105 Ca -0.09 -1.34 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 1ry1 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ry1 s LEU 106 N 0.00 2.94 0.63 0.99 1.43 -1.26 -4.43 118.68 118.98 1ry1 s LEU 106 Ca 0.00 0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1ry1 s LEU 106 Cb 0.00 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1ry1 s LEU 106 CO 0.00 -1.76 1.26 -1.58 0.23 0.00 0.00 176.35 174.50 1ry1 s GLN 107 N -5.21 2.70 -1.51 1.70 0.74 0.43 -2.60 119.66 115.91 1ry1 s GLN 107 Ca 0.64 1.97 0.00 0.00 0.05 0.00 0.00 55.36 58.02 1ry1 s GLN 107 Cb -0.08 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.16 1ry1 s GLN 107 CO 0.45 -1.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.13 1ry1 n GLY 108 N 0.75 1.42 0.07 2.59 0.00 -1.26 -4.87 105.19 103.89 1ry1 n GLY 108 Ca 0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1ry1 n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ry1 h SER 109 N 0.00 0.00 0.00 1.61 4.64 -1.82 -3.45 113.55 114.54 1ry1 h SER 109 Ca -0.29 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ry1 h SER 109 Cb 0.95 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ry1 h SER 109 CO 0.43 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.00 1ry1 n GLY 110 N 1.48 1.06 0.42 -0.77 0.00 -1.26 -3.58 105.19 102.54 1ry1 n GLY 110 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1ry1 n GLY 110 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ry1 h LYS 111 N 2.45 -0.66 -0.73 1.61 3.64 -1.86 0.43 116.57 121.46 1ry1 h LYS 111 Ca 0.00 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ry1 h LYS 111 Cb 0.00 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1ry1 h LYS 111 CO 0.00 -0.44 0.48 1.15 -2.27 0.00 0.00 179.45 178.37 1ry1 h THR 112 N -0.68 1.19 -0.02 1.00 2.02 -1.95 -0.04 112.91 114.43 1ry1 h THR 112 Ca -0.01 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1ry1 h THR 112 Cb 0.67 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1ry1 h THR 112 CO -0.22 0.19 0.01 0.74 0.37 0.00 0.00 175.52 176.60 1ry1 h THR 113 N 0.99 1.04 -0.16 3.16 2.02 -1.93 -1.38 112.91 116.65 1ry1 h THR 113 Ca 0.27 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.36 1ry1 h THR 113 Cb -0.11 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ry1 h THR 113 CO -0.06 0.03 0.11 0.74 0.37 0.00 0.00 175.52 176.72 1ry1 h THR 114 N -0.03 0.95 -0.40 3.16 2.02 0.21 -1.72 112.91 117.11 1ry1 h THR 114 Ca 0.01 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1ry1 h THR 114 Cb 0.05 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1ry1 h THR 114 CO -0.00 0.01 0.22 0.00 0.37 0.00 0.00 175.52 176.12 1ry1 h ALA 115 N 1.91 0.50 -0.20 6.16 0.00 0.14 -0.46 119.26 127.30 1ry1 h ALA 115 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1ry1 h ALA 115 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ry1 h ALA 115 CO -0.01 -0.13 -0.61 0.00 0.00 0.00 0.00 179.25 178.50 1ry1 h ALA 116 N 1.19 0.54 -0.96 0.00 0.00 -1.13 -2.75 119.26 116.15 1ry1 h ALA 116 Ca 0.16 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1ry1 h ALA 116 Cb 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1ry1 h ALA 116 CO -0.10 0.69 0.61 0.87 0.00 0.00 0.00 179.25 181.33 1ry1 h LYS 117 N 0.52 1.08 -0.29 0.00 1.57 -0.89 0.93 116.57 119.49 1ry1 h LYS 117 Ca -0.00 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1ry1 h LYS 117 Cb 1.20 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1ry1 h LYS 117 CO 0.12 0.72 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.57 1ry1 h LEU 118 N 1.12 0.57 -0.76 2.94 3.38 -1.04 0.21 115.31 121.72 1ry1 h LEU 118 Ca 0.41 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ry1 h LEU 118 Cb 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1ry1 h LEU 118 CO -0.17 0.81 0.48 0.00 0.09 0.00 0.00 178.44 179.65 1ry1 h ALA 119 N 0.78 0.97 -0.26 1.53 0.00 -1.09 -0.63 119.26 120.56 1ry1 h ALA 119 Ca 0.07 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ry1 h ALA 119 Cb 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ry1 h ALA 119 CO 0.03 0.41 -0.48 1.25 0.00 0.00 0.00 179.25 180.46 1ry1 h LEU 120 N 1.04 0.87 0.01 0.00 5.85 -0.72 -0.52 115.31 121.85 1ry1 h LEU 120 Ca 0.28 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1ry1 h LEU 120 Cb -0.08 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 1ry1 h LEU 120 CO -0.06 1.24 -0.01 0.22 -0.34 0.00 0.00 178.44 179.50 1ry1 h TYR 121 N 0.54 -0.03 0.00 1.25 5.03 -0.26 -2.43 116.97 121.06 1ry1 h TYR 121 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1ry1 h TYR 121 Cb 1.09 0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.38 1ry1 h TYR 121 CO 0.08 -0.02 0.00 1.88 -1.32 0.00 0.00 178.16 178.78 1ry1 h TYR 122 N -0.03 0.00 -0.02 -3.82 0.05 -1.15 -2.81 116.97 109.18 1ry1 h TYR 122 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.65 1ry1 h TYR 122 Cb 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1ry1 h TYR 122 CO -0.09 0.00 -0.62 -0.22 -1.05 0.00 0.00 178.16 176.18 1ry1 h LYS 123 N 0.00 0.09 -0.01 4.88 3.64 -0.63 -0.71 116.57 123.83 1ry1 h LYS 123 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ry1 h LYS 123 Cb 0.65 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ry1 h LYS 123 CO 0.00 0.68 -0.11 0.41 -2.27 0.00 0.00 179.45 178.17 1ry1 n GLY 124 N 0.27 -0.53 1.12 5.01 0.00 -0.97 -3.37 105.19 106.72 1ry1 n GLY 124 Ca -0.02 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1ry1 n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ry1 n LYS 125 N -0.48 2.60 -0.44 1.61 4.76 -1.02 -4.94 118.16 120.25 1ry1 n LYS 125 Ca 0.16 -2.38 0.00 0.00 -2.87 0.00 0.00 58.31 53.22 1ry1 n LYS 125 Cb 0.31 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1ry1 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ry1 n GLY 126 N 1.35 0.90 3.85 0.72 0.00 -1.20 -5.07 105.19 105.74 1ry1 n GLY 126 Ca 0.20 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1ry1 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ry1 s ARG 127 N -1.01 2.64 -0.59 1.61 1.81 -0.30 -5.04 118.95 118.07 1ry1 s ARG 127 Ca 0.00 -1.38 0.04 0.00 -1.72 0.00 0.00 55.73 52.67 1ry1 s ARG 127 Cb 0.00 -2.42 0.15 0.00 -0.45 0.00 0.00 34.95 32.23 1ry1 s ARG 127 CO 0.00 0.03 0.37 1.03 -0.68 0.00 0.00 175.30 176.05 1ry1 s ARG 128 N -4.01 2.04 0.62 3.54 0.52 -1.26 -4.39 118.95 116.01 1ry1 s ARG 128 Ca 0.42 -2.85 -0.14 0.00 -0.52 0.00 0.00 55.73 52.64 1ry1 s ARG 128 Cb -0.05 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1ry1 s ARG 128 CO 0.26 -1.22 1.06 -1.25 0.02 0.00 0.00 175.30 174.17 1ry1 s PRO 129 N -0.73 3.22 -0.09 3.54 0.05 -1.26 -1.69 135.00 138.05 1ry1 s PRO 129 Ca 0.22 1.13 -0.00 0.00 0.05 0.00 0.00 61.00 62.39 1ry1 s PRO 129 Cb -0.14 -2.02 0.02 0.00 0.05 0.00 0.00 34.50 32.41 1ry1 s PRO 129 CO -0.09 -0.88 -0.06 -1.17 0.05 0.00 0.00 177.00 174.85 1ry1 s LEU 130 N -4.79 1.09 -0.02 -3.56 2.96 0.19 -4.35 118.68 110.21 1ry1 s LEU 130 Ca 0.62 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1ry1 s LEU 130 Cb -0.15 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 1ry1 s LEU 130 CO 0.42 -0.12 0.26 -0.76 -1.32 0.00 0.00 176.35 174.83 1ry1 s LEU 131 N 1.58 4.39 -0.04 -0.68 1.43 -0.21 0.50 118.68 125.65 1ry1 s LEU 131 Ca 0.01 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1ry1 s LEU 131 Cb -0.13 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1ry1 s LEU 131 CO -0.05 0.30 -0.02 0.54 0.23 0.00 0.00 176.35 177.35 1ry1 s VAL 132 N -1.21 0.35 -0.71 -1.59 0.11 0.24 -0.20 120.40 117.41 1ry1 s VAL 132 Ca 0.24 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 1ry1 s VAL 132 Cb -0.13 -0.43 0.08 0.00 -1.53 0.00 0.00 36.38 34.36 1ry1 s VAL 132 CO 0.13 0.20 0.99 0.00 -3.33 0.00 0.00 175.10 173.08 1ry1 s ALA 133 N 1.16 3.16 -2.03 1.54 0.00 -0.21 -1.00 121.76 124.39 1ry1 s ALA 133 Ca -0.08 -2.02 0.29 0.00 0.00 0.00 0.00 51.96 50.15 1ry1 s ALA 133 Cb -0.14 -3.89 1.69 0.00 0.00 0.00 0.00 23.12 20.79 1ry1 s ALA 133 CO -0.02 -2.80 2.09 0.00 0.00 0.00 0.00 175.76 175.03 1ry1 n ALA 134 N 7.47 2.67 -2.18 0.00 0.00 0.21 -2.19 120.51 126.48 1ry1 n ALA 134 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1ry1 n ALA 134 Cb 0.46 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1ry1 n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ry1 s ASP 135 N -1.91 6.14 0.00 0.00 -1.08 -1.25 -4.40 116.67 114.16 1ry1 s ASP 135 Ca 0.43 1.08 0.27 0.00 -0.52 0.00 0.00 52.55 53.81 1ry1 s ASP 135 Cb 0.20 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 40.31 1ry1 s ASP 135 CO 0.34 -1.55 1.81 0.35 0.52 0.00 0.00 175.17 176.64 1ry1 n THR 136 N 7.22 0.03 -0.05 1.71 -2.24 -1.26 -4.25 114.28 115.45 1ry1 n THR 136 Ca 0.20 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1ry1 n THR 136 Cb 0.47 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1ry1 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ry1 n GLN 137 N -0.09 0.74 -3.88 -0.78 6.02 -1.26 -1.17 117.38 116.96 1ry1 n GLN 137 Ca 0.19 0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.87 1ry1 n GLN 137 Cb 0.29 -1.19 -0.13 0.00 1.02 0.00 0.00 30.24 30.22 1ry1 n GLN 137 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ry1 s ARG 138 N -2.19 2.42 0.43 -1.09 0.52 -1.26 -4.98 118.95 112.80 1ry1 s ARG 138 Ca -0.11 -1.30 0.10 0.00 -0.52 0.00 0.00 55.73 53.90 1ry1 s ARG 138 Cb 0.03 -3.24 0.94 0.00 0.52 0.00 0.00 34.95 33.20 1ry1 s ARG 138 CO 0.24 -0.66 2.04 -1.35 0.02 0.00 0.00 175.30 175.59 1ry1 h PRO 139 N 8.03 0.32 0.00 3.54 0.11 -1.94 -1.72 132.00 140.34 1ry1 h PRO 139 Ca -0.21 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 1ry1 h PRO 139 Cb 1.06 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ry1 h PRO 139 CO 0.55 0.27 -0.24 0.00 -0.21 0.00 0.00 178.00 178.38 1ry1 h ALA 140 N 1.78 1.40 -0.15 -0.75 0.00 -1.98 -1.35 119.26 118.21 1ry1 h ALA 140 Ca 0.08 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1ry1 h ALA 140 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ry1 h ALA 140 CO -0.01 0.29 -0.44 0.00 0.00 0.00 0.00 179.25 179.10 1ry1 h ALA 141 N 1.76 0.26 -0.07 0.00 0.00 -1.71 -2.60 119.26 116.90 1ry1 h ALA 141 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1ry1 h ALA 141 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ry1 h ALA 141 CO 0.03 0.39 -0.33 0.00 0.00 0.00 0.00 179.25 179.34 1ry1 h ARG 142 N 0.21 0.13 -0.26 0.00 3.08 -1.43 -2.76 114.38 113.34 1ry1 h ARG 142 Ca -0.01 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1ry1 h ARG 142 Cb 1.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1ry1 h ARG 142 CO 0.09 0.46 -0.15 1.49 -1.07 0.00 0.00 179.97 180.79 1ry1 h GLU 143 N 0.12 0.45 -0.01 0.04 4.57 -1.14 -0.94 114.58 117.66 1ry1 h GLU 143 Ca 0.01 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1ry1 h GLU 143 Cb 0.65 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1ry1 h GLU 143 CO 0.05 0.60 -0.39 0.37 -1.18 0.00 0.00 179.01 178.45 1ry1 h GLN 144 N 0.42 0.03 0.00 1.92 4.15 -1.15 -2.44 115.11 118.03 1ry1 h GLN 144 Ca 0.08 -0.01 -0.25 0.00 0.77 0.00 0.00 58.65 59.24 1ry1 h GLN 144 Cb 0.51 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1ry1 h GLN 144 CO 0.03 0.42 -1.41 1.25 -1.93 0.00 0.00 178.83 177.19 1ry1 h LEU 145 N 0.02 0.00 -0.96 -2.39 5.85 -1.49 -2.95 115.31 113.39 1ry1 h LEU 145 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1ry1 h LEU 145 Cb 0.71 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1ry1 h LEU 145 CO 0.05 0.96 0.31 -0.09 -0.34 0.00 0.00 178.44 179.33 1ry1 h ARG 146 N 0.00 1.06 -0.01 1.25 2.43 -0.96 -0.19 114.38 117.95 1ry1 h ARG 146 Ca -0.17 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1ry1 h ARG 146 Cb 1.88 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1ry1 h ARG 146 CO 0.09 0.84 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.32 1ry1 h LEU 147 N 1.04 0.02 -0.20 3.80 4.07 -1.52 -2.49 115.31 120.04 1ry1 h LEU 147 Ca 0.25 -0.42 0.04 0.00 0.08 0.00 0.00 57.88 57.82 1ry1 h LEU 147 Cb 0.16 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 1ry1 h LEU 147 CO -0.03 0.44 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.65 1ry1 h LEU 148 N -0.40 -0.20 -1.33 1.67 3.38 -1.31 0.25 115.31 117.37 1ry1 h LEU 148 Ca 0.00 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ry1 h LEU 148 Cb 0.43 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1ry1 h LEU 148 CO 0.00 -0.07 0.49 1.23 0.09 0.00 0.00 178.44 180.18 1ry1 h GLY 149 N -0.01 1.01 2.00 0.83 0.00 -1.09 0.52 103.07 106.35 1ry1 h GLY 149 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1ry1 h GLY 149 CO -0.21 0.26 -0.12 -2.09 0.00 0.00 0.00 176.54 174.38 1ry1 h GLU 150 N 0.83 0.00 0.10 4.80 4.81 -0.73 0.18 114.58 124.57 1ry1 h GLU 150 Ca 0.31 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.24 1ry1 h GLU 150 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1ry1 h GLU 150 CO -0.10 0.12 -1.58 -0.22 -0.73 0.00 0.00 179.01 176.50 1ry1 h LYS 151 N 0.00 0.22 -0.37 1.92 3.64 0.19 -3.34 116.57 118.83 1ry1 h LYS 151 Ca -0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1ry1 h LYS 151 Cb 0.45 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ry1 h LYS 151 CO 0.02 1.06 0.00 1.33 -2.27 0.00 0.00 179.45 179.59 1ry1 n VAL 152 N -3.41 0.47 -3.30 2.00 0.24 0.11 -4.96 118.33 109.48 1ry1 n VAL 152 Ca -0.18 -0.68 -0.18 0.00 -2.04 0.00 0.00 64.34 61.27 1ry1 n VAL 152 Cb 1.04 0.83 0.06 0.00 -1.47 0.00 0.00 33.84 34.31 1ry1 n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ry1 n GLY 153 N 1.44 -0.19 3.05 7.63 0.00 0.27 -4.86 105.19 112.53 1ry1 n GLY 153 Ca 0.19 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1ry1 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ry1 s VAL 154 N -3.25 1.51 0.56 1.61 1.01 0.36 -5.03 120.40 117.17 1ry1 s VAL 154 Ca 0.38 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1ry1 s VAL 154 Cb -0.17 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1ry1 s VAL 154 CO 0.56 0.44 1.19 -0.81 0.00 0.00 0.00 175.10 176.48 1ry1 n PRO 155 N 4.31 1.34 -4.30 2.72 -0.04 -1.26 -4.27 135.00 133.51 1ry1 n PRO 155 Ca -0.19 0.50 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 1ry1 n PRO 155 Cb 0.51 -2.38 -0.17 0.00 -0.04 0.00 0.00 33.50 31.42 1ry1 n PRO 155 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ry1 s VAL 156 N -1.37 0.88 -0.23 0.52 1.01 -1.26 -1.04 120.40 118.91 1ry1 s VAL 156 Ca 0.73 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1ry1 s VAL 156 Cb -0.43 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1ry1 s VAL 156 CO 0.48 0.31 0.05 -0.22 0.00 0.00 0.00 175.10 175.72 1ry1 s LEU 157 N 0.97 3.41 -0.22 3.92 0.20 0.72 -4.97 118.68 122.70 1ry1 s LEU 157 Ca -0.10 -0.19 -0.10 0.00 0.69 0.00 0.00 54.13 54.43 1ry1 s LEU 157 Cb -0.15 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.67 1ry1 s LEU 157 CO 0.00 0.00 0.13 -1.61 -0.29 0.00 0.00 176.35 174.59 1ry1 s GLU 158 N 1.39 4.08 0.94 1.98 2.02 -1.26 -1.04 118.70 126.81 1ry1 s GLU 158 Ca 0.05 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.65 1ry1 s GLU 158 Cb -0.15 -3.44 0.15 0.00 0.10 0.00 0.00 34.13 30.80 1ry1 s GLU 158 CO 0.03 0.17 1.09 0.14 0.02 0.00 0.00 175.26 176.70 1ry1 s VAL 159 N 0.73 2.47 0.58 2.63 -7.23 -0.93 -4.96 120.40 113.69 1ry1 s VAL 159 Ca 0.07 0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1ry1 s VAL 159 Cb -0.13 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.26 1ry1 s VAL 159 CO 0.02 -0.20 0.83 -0.04 -0.31 0.00 0.00 175.10 175.40 1ry1 s MET 160 N -4.90 2.53 -0.09 4.82 1.00 -1.26 -4.95 119.30 116.46 1ry1 s MET 160 Ca 0.64 -0.58 -0.29 0.00 0.00 0.00 0.00 55.69 55.46 1ry1 s MET 160 Cb -0.19 -2.40 -0.05 0.00 0.00 0.00 0.00 34.83 32.19 1ry1 s MET 160 CO 0.58 -0.80 1.67 -0.51 0.00 0.00 0.00 175.02 175.96 1ry1 s ASP 161 N -4.42 6.57 -0.28 3.03 -0.00 -1.26 -2.21 116.67 118.10 1ry1 s ASP 161 Ca 0.57 2.12 0.00 0.00 -0.00 0.00 0.00 52.55 55.24 1ry1 s ASP 161 Cb -0.10 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 1ry1 s ASP 161 CO 0.40 -1.02 0.00 0.61 -0.00 0.00 0.00 175.17 175.16 1ry1 n GLY 162 N 4.29 0.51 3.69 0.21 0.00 -0.32 -4.97 105.19 108.60 1ry1 n GLY 162 Ca 0.18 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1ry1 n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ry1 n GLU 163 N -1.62 1.70 -1.66 1.61 2.13 -0.94 -4.98 120.64 116.88 1ry1 n GLU 163 Ca -0.03 0.61 -0.31 0.00 0.66 0.00 0.00 57.16 58.10 1ry1 n GLU 163 Cb 0.25 -2.38 0.05 0.00 0.27 0.00 0.00 31.44 29.63 1ry1 n GLU 163 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ry1 s SER 164 N -0.73 5.38 0.25 4.31 1.04 -1.26 -4.92 113.70 117.76 1ry1 s SER 164 Ca 0.66 1.47 -0.01 0.00 0.48 0.00 0.00 55.95 58.54 1ry1 s SER 164 Cb -0.48 -2.34 0.29 0.00 0.10 0.00 0.00 66.02 63.59 1ry1 s SER 164 CO 0.54 -1.43 1.68 -0.65 0.98 0.00 0.00 173.24 174.37 1ry1 h PRO 165 N -0.71 0.66 -0.33 4.02 0.11 -1.96 -2.05 132.00 131.75 1ry1 h PRO 165 Ca -0.45 -0.25 -0.03 0.00 0.11 0.00 0.00 66.00 65.38 1ry1 h PRO 165 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ry1 h PRO 165 CO 0.59 0.82 0.07 0.93 -0.21 0.00 0.00 178.00 180.21 1ry1 h GLU 166 N 0.59 0.54 -0.41 1.05 3.07 -1.95 0.28 114.58 117.75 1ry1 h GLU 166 Ca 0.09 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1ry1 h GLU 166 Cb 0.67 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1ry1 h GLU 166 CO 0.05 0.60 0.27 1.03 -1.40 0.00 0.00 179.01 179.56 1ry1 h SER 167 N 0.38 0.46 -0.95 1.42 0.87 -1.92 -0.12 113.55 113.70 1ry1 h SER 167 Ca 0.10 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1ry1 h SER 167 Cb 0.31 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1ry1 h SER 167 CO 0.00 0.33 0.59 0.40 -0.53 0.00 0.00 176.83 177.63 1ry1 h ILE 168 N 0.54 1.25 -0.11 2.23 2.04 -1.13 -1.26 117.51 121.08 1ry1 h ILE 168 Ca 0.15 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1ry1 h ILE 168 Cb -0.06 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 35.91 1ry1 h ILE 168 CO -0.04 0.26 0.01 -0.09 0.00 0.00 0.00 178.15 178.29 1ry1 h ARG 169 N 1.30 0.19 0.31 2.37 2.43 -0.28 -0.25 114.38 120.45 1ry1 h ARG 169 Ca 0.34 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1ry1 h ARG 169 Cb -0.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1ry1 h ARG 169 CO -0.07 0.40 -0.31 -0.09 -1.51 0.00 0.00 179.97 178.39 1ry1 h ARG 170 N -0.05 -0.63 -0.49 0.20 2.43 -0.81 0.70 114.38 115.73 1ry1 h ARG 170 Ca 0.03 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1ry1 h ARG 170 Cb 0.31 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1ry1 h ARG 170 CO 0.00 -0.42 0.20 0.00 -1.51 0.00 0.00 179.97 178.24 1ry1 h ARG 171 N -0.65 0.38 -0.54 0.20 3.08 -1.23 -0.91 114.38 114.71 1ry1 h ARG 171 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1ry1 h ARG 171 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1ry1 h ARG 171 CO -0.06 0.25 -0.01 0.28 -1.07 0.00 0.00 179.97 179.35 1ry1 h VAL 172 N 0.39 1.26 -0.66 2.04 2.07 -0.89 -2.09 116.25 118.38 1ry1 h VAL 172 Ca 0.23 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 1ry1 h VAL 172 Cb 0.21 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1ry1 h VAL 172 CO -0.21 0.40 0.12 -0.33 0.02 0.00 0.00 177.57 177.57 1ry1 h GLU 173 N 0.84 1.08 -0.23 1.57 4.39 -0.46 -1.83 114.58 119.93 1ry1 h GLU 173 Ca 0.15 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1ry1 h GLU 173 Cb 0.55 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ry1 h GLU 173 CO 0.03 0.98 0.01 0.93 -1.16 0.00 0.00 179.01 179.80 1ry1 h GLU 174 N 1.00 0.40 -0.08 2.33 5.08 -1.09 -1.89 114.58 120.33 1ry1 h GLU 174 Ca 0.20 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ry1 h GLU 174 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ry1 h GLU 174 CO 0.01 0.57 0.03 -0.22 -1.00 0.00 0.00 179.01 178.40 1ry1 h LYS 175 N 0.17 0.06 -0.58 2.33 3.64 -1.28 0.82 116.57 121.73 1ry1 h LYS 175 Ca 0.06 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1ry1 h LYS 175 Cb 0.39 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1ry1 h LYS 175 CO 0.01 0.04 0.39 0.00 -2.27 0.00 0.00 179.45 177.62 1ry1 h ALA 176 N 1.05 1.97 0.11 5.00 0.00 -1.31 0.27 119.26 126.34 1ry1 h ALA 176 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ry1 h ALA 176 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ry1 h ALA 176 CO -0.03 -0.08 -0.05 -0.09 0.00 0.00 0.00 179.25 178.99 1ry1 h ARG 177 N 0.44 -0.14 0.00 0.00 2.43 -0.44 -0.03 114.38 116.63 1ry1 h ARG 177 Ca 0.26 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1ry1 h ARG 177 Cb 0.45 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ry1 h ARG 177 CO -0.07 0.31 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.46 1ry1 h LEU 178 N -0.66 0.00 -1.74 3.80 3.38 -0.29 -3.15 115.31 116.66 1ry1 h LEU 178 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ry1 h LEU 178 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ry1 h LEU 178 CO 0.02 0.17 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 1ry1 n GLU 179 N -3.39 1.21 -2.98 1.13 1.02 0.89 -5.00 120.64 113.52 1ry1 n GLU 179 Ca -0.00 -1.45 -0.18 0.00 -0.02 0.00 0.00 57.16 55.50 1ry1 n GLU 179 Cb 0.37 -1.27 0.04 0.00 -0.02 0.00 0.00 31.44 30.55 1ry1 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ry1 n ALA 180 N 0.77 -0.84 -1.91 0.62 0.00 -0.30 -4.99 120.51 113.86 1ry1 n ALA 180 Ca 0.09 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1ry1 n ALA 180 Cb 0.36 -3.54 -0.04 0.00 0.00 0.00 0.00 19.45 16.23 1ry1 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ry1 s ARG 181 N -5.60 4.64 -0.04 0.00 1.81 -0.18 -4.80 118.95 114.79 1ry1 s ARG 181 Ca 0.29 1.73 0.07 0.00 -1.72 0.00 0.00 55.73 56.10 1ry1 s ARG 181 Cb -0.13 -3.24 -0.10 0.00 -0.45 0.00 0.00 34.95 31.02 1ry1 s ARG 181 CO 0.36 0.18 0.10 -0.40 -0.68 0.00 0.00 175.30 174.86 1ry1 n ASP 182 N 1.79 3.23 -4.20 0.23 3.85 -0.68 -4.82 116.55 115.96 1ry1 n ASP 182 Ca 0.01 0.00 -0.34 0.00 -0.71 0.00 0.00 54.79 53.74 1ry1 n ASP 182 Cb 0.46 1.02 -0.15 0.00 -1.35 0.00 0.00 41.12 41.10 1ry1 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1ry1 s LEU 183 N -4.03 3.00 -0.29 -2.12 2.96 -1.20 0.86 118.68 117.86 1ry1 s LEU 183 Ca -0.03 -0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 53.05 1ry1 s LEU 183 Cb 0.04 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 45.11 1ry1 s LEU 183 CO 0.31 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.64 1ry1 s ILE 184 N 1.34 3.46 -0.32 6.68 1.01 0.52 0.56 121.20 134.45 1ry1 s ILE 184 Ca 0.01 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 1ry1 s ILE 184 Cb -0.16 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1ry1 s ILE 184 CO -0.06 0.04 0.18 -0.76 0.00 0.00 0.00 174.94 174.35 1ry1 s LEU 185 N 1.39 4.23 -0.41 2.97 1.43 0.18 -0.28 118.68 128.20 1ry1 s LEU 185 Ca -0.00 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 1ry1 s LEU 185 Cb -0.18 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.02 1ry1 s LEU 185 CO -0.00 -0.20 0.27 -0.69 0.23 0.00 0.00 176.35 175.97 1ry1 s VAL 186 N 1.66 4.90 -0.39 -1.59 1.01 0.13 -0.59 120.40 125.53 1ry1 s VAL 186 Ca 0.05 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1ry1 s VAL 186 Cb -0.17 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1ry1 s VAL 186 CO 0.08 -0.33 0.73 -0.62 0.00 0.00 0.00 175.10 174.96 1ry1 s ASP 187 N 1.78 6.46 0.48 3.32 2.15 -0.17 0.51 116.67 131.20 1ry1 s ASP 187 Ca 0.03 0.10 -0.02 0.00 0.43 0.00 0.00 52.55 53.10 1ry1 s ASP 187 Cb -0.20 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1ry1 s ASP 187 CO 0.08 -0.75 0.74 0.42 -0.17 0.00 0.00 175.17 175.48 1ry1 s THR 188 N 3.03 4.25 0.12 1.71 -4.23 -0.95 0.63 115.64 120.21 1ry1 s THR 188 Ca 0.28 -0.22 -0.35 0.00 -1.18 0.00 0.00 61.69 60.22 1ry1 s THR 188 Cb -0.13 -3.61 -0.16 0.00 1.34 0.00 0.00 72.50 69.94 1ry1 s THR 188 CO 0.18 -0.51 1.36 0.00 -0.54 0.00 0.00 174.62 175.12 1ry1 n ALA 189 N -2.20 -0.35 -2.77 3.99 0.00 -1.26 -4.76 120.51 113.15 1ry1 n ALA 189 Ca 0.01 0.49 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 1ry1 n ALA 189 Cb 0.57 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 1ry1 n ALA 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ry1 s GLY 190 N 0.48 1.96 0.31 0.00 0.00 -1.26 -4.82 107.32 103.99 1ry1 s GLY 190 Ca 0.81 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.81 1ry1 s GLY 190 CO 0.46 0.17 -0.02 0.50 0.00 0.00 0.00 173.10 174.21 1ry1 s ARG 191 N 0.54 1.63 0.02 2.90 1.81 -1.26 -4.53 118.95 120.07 1ry1 s ARG 191 Ca 0.06 -1.87 -0.25 0.00 -1.72 0.00 0.00 55.73 51.95 1ry1 s ARG 191 Cb -0.12 -1.13 -0.18 0.00 -0.45 0.00 0.00 34.95 33.06 1ry1 s ARG 191 CO 0.00 -0.04 1.41 -0.07 -0.68 0.00 0.00 175.30 175.92 1ry1 h LEU 192 N 2.16 -0.05 -9.48 2.53 3.38 -1.94 1.24 115.31 113.15 1ry1 h LEU 192 Ca -0.41 -0.30 -0.56 0.00 0.09 0.00 0.00 57.88 56.71 1ry1 h LEU 192 Cb 1.24 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 1ry1 h LEU 192 CO 0.70 0.27 -0.58 -1.58 0.09 0.00 0.00 178.44 177.33 1ry1 s GLN 193 N -4.91 1.84 0.10 1.13 2.00 -1.26 -4.62 119.66 113.94 1ry1 s GLN 193 Ca -0.15 -2.06 -0.31 0.00 -2.00 0.00 0.00 55.36 50.84 1ry1 s GLN 193 Cb 0.03 -1.17 -0.09 0.00 0.80 0.00 0.00 33.01 32.58 1ry1 s GLN 193 CO 0.65 -0.19 1.70 0.42 -0.50 0.00 0.00 175.29 177.37 1ry1 s ILE 194 N -3.05 2.82 -0.39 -2.34 -1.09 -1.26 -4.96 121.20 110.93 1ry1 s ILE 194 Ca 0.31 0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 59.01 1ry1 s ILE 194 Cb 0.08 -3.22 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 1ry1 s ILE 194 CO 0.15 0.00 0.18 -0.62 -1.23 0.00 0.00 174.94 173.42 1ry1 s ASP 195 N 2.35 5.34 0.24 3.58 -1.08 -1.26 -4.99 116.67 120.85 1ry1 s ASP 195 Ca 0.76 -1.62 -0.07 0.00 -0.52 0.00 0.00 52.55 51.10 1ry1 s ASP 195 Cb -0.42 -1.87 0.43 0.00 -1.46 0.00 0.00 42.92 39.60 1ry1 s ASP 195 CO 0.33 -0.47 1.65 -0.33 0.52 0.00 0.00 175.17 176.87 1ry1 h GLU 196 N 8.19 0.14 -0.78 4.34 4.39 -1.99 0.18 114.58 129.05 1ry1 h GLU 196 Ca -0.19 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.54 1ry1 h GLU 196 Cb 1.07 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.63 1ry1 h GLU 196 CO 0.68 0.10 0.49 -1.35 -1.16 0.00 0.00 179.01 177.76 1ry1 h PRO 197 N 0.15 0.90 -0.68 2.33 0.11 -2.00 -1.23 132.00 131.58 1ry1 h PRO 197 Ca 0.40 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 1ry1 h PRO 197 Cb 0.71 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1ry1 h PRO 197 CO -0.60 0.59 0.41 1.25 -0.21 0.00 0.00 178.00 179.44 1ry1 h LEU 198 N 0.92 0.82 -1.07 2.35 5.85 -1.15 -1.64 115.31 121.39 1ry1 h LEU 198 Ca 0.33 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1ry1 h LEU 198 Cb 0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1ry1 h LEU 198 CO -0.14 0.64 0.55 0.24 -0.34 0.00 0.00 178.44 179.39 1ry1 h MET 199 N 0.92 1.18 -0.15 1.25 2.86 -0.40 0.28 114.93 120.88 1ry1 h MET 199 Ca 0.24 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1ry1 h MET 199 Cb -0.03 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1ry1 h MET 199 CO -0.05 0.81 0.10 0.78 1.06 0.00 0.00 176.91 179.61 1ry1 h GLY 200 N 1.21 0.22 1.78 8.32 0.00 -0.45 0.29 103.07 114.43 1ry1 h GLY 200 Ca 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1ry1 h GLY 200 CO -0.06 0.08 -0.12 -2.09 0.00 0.00 0.00 176.54 174.35 1ry1 h GLU 201 N 0.20 0.28 -0.02 4.80 4.81 -0.57 -0.48 114.58 123.59 1ry1 h GLU 201 Ca 0.06 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1ry1 h GLU 201 Cb -0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ry1 h GLU 201 CO -0.01 0.41 -0.77 -0.07 -0.73 0.00 0.00 179.01 177.83 1ry1 h LEU 202 N 0.26 0.26 -0.32 1.64 3.38 0.13 -1.21 115.31 119.46 1ry1 h LEU 202 Ca 0.05 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1ry1 h LEU 202 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ry1 h LEU 202 CO 0.02 0.94 -0.19 0.00 0.09 0.00 0.00 178.44 179.29 1ry1 h ALA 203 N 1.05 0.45 -0.47 1.53 0.00 0.27 0.78 119.26 122.88 1ry1 h ALA 203 Ca -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ry1 h ALA 203 Cb 1.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1ry1 h ALA 203 CO 0.12 0.40 0.13 -0.09 0.00 0.00 0.00 179.25 179.81 1ry1 h ARG 204 N 0.46 0.74 -0.17 0.00 2.43 -1.05 -0.85 114.38 115.94 1ry1 h ARG 204 Ca 0.07 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1ry1 h ARG 204 Cb 0.74 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1ry1 h ARG 204 CO 0.05 0.71 0.10 1.25 -1.51 0.00 0.00 179.97 180.58 1ry1 h LEU 205 N 0.63 0.21 -1.36 3.80 5.85 -1.13 0.17 115.31 123.49 1ry1 h LEU 205 Ca 0.15 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.98 1ry1 h LEU 205 Cb 0.29 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1ry1 h LEU 205 CO -0.00 0.20 0.58 0.50 -0.34 0.00 0.00 178.44 179.38 1ry1 h LYS 206 N 0.20 0.56 -0.10 1.25 3.64 -0.51 0.41 116.57 122.02 1ry1 h LYS 206 Ca 0.06 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1ry1 h LYS 206 Cb 0.04 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1ry1 h LYS 206 CO -0.01 0.37 -0.57 1.49 -2.27 0.00 0.00 179.45 178.46 1ry1 h GLU 207 N 0.58 0.56 -0.07 1.90 4.81 -0.16 -1.09 114.58 121.10 1ry1 h GLU 207 Ca 0.47 -0.47 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1ry1 h GLU 207 Cb 0.91 0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.41 1ry1 h GLU 207 CO -0.21 1.09 -0.88 0.28 -0.73 0.00 0.00 179.01 178.56 1ry1 h VAL 208 N 0.17 1.30 0.04 0.32 2.07 0.47 -3.34 116.25 117.29 1ry1 h VAL 208 Ca -0.04 -2.14 -0.28 0.00 0.82 0.00 0.00 66.70 65.05 1ry1 h VAL 208 Cb 1.22 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 1ry1 h VAL 208 CO 0.12 0.66 -1.52 -0.07 0.02 0.00 0.00 177.57 176.78 1ry1 h LEU 209 N 0.42 0.12 -2.40 2.57 -0.00 -0.35 -3.49 115.31 112.18 1ry1 h LEU 209 Ca -0.08 -0.20 -0.25 0.00 -0.00 0.00 0.00 57.88 57.35 1ry1 h LEU 209 Cb 1.51 -0.04 0.19 0.00 -0.00 0.00 0.00 40.66 42.33 1ry1 h LEU 209 CO 0.17 1.17 -0.84 0.61 -0.00 0.00 0.00 178.44 179.56 1ry1 n GLY 210 N 1.57 -1.07 3.76 0.83 0.00 -0.41 -4.95 105.19 104.91 1ry1 n GLY 210 Ca -0.14 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 1ry1 n GLY 210 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ry1 s PRO 211 N -4.43 3.30 0.14 1.61 0.04 -1.26 -4.93 135.00 129.47 1ry1 s PRO 211 Ca 0.42 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.56 1ry1 s PRO 211 Cb -0.05 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1ry1 s PRO 211 CO 0.72 -1.02 1.32 -0.44 0.04 0.00 0.00 177.00 177.63 1ry1 h ASP 212 N 1.60 0.28 -4.63 6.66 3.32 -0.23 -3.46 116.42 119.97 1ry1 h ASP 212 Ca -0.50 -0.25 -0.24 0.00 0.02 0.00 0.00 57.03 56.06 1ry1 h ASP 212 Cb 1.29 -0.09 -0.23 0.00 0.22 0.00 0.00 39.33 40.52 1ry1 h ASP 212 CO 0.58 1.08 -0.72 -1.61 -1.72 0.00 0.00 179.24 176.85 1ry1 s GLU 213 N -3.08 0.40 -0.43 3.56 0.41 -1.21 -5.05 118.70 113.31 1ry1 s GLU 213 Ca -0.03 -0.57 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1ry1 s GLU 213 Cb 0.09 -0.15 0.13 0.00 -1.78 0.00 0.00 34.13 32.42 1ry1 s GLU 213 CO 0.84 0.02 0.21 0.08 -0.49 0.00 0.00 175.26 175.92 1ry1 s VAL 214 N -1.11 1.61 -0.19 2.63 1.01 -1.26 -0.89 120.40 122.19 1ry1 s VAL 214 Ca -0.09 -2.51 -0.24 0.00 0.00 0.00 0.00 61.98 59.13 1ry1 s VAL 214 Cb -0.08 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1ry1 s VAL 214 CO -0.00 -0.82 0.80 -0.76 0.00 0.00 0.00 175.10 174.32 1ry1 s LEU 215 N 0.46 4.14 -0.22 3.92 1.43 0.24 -1.85 118.68 126.81 1ry1 s LEU 215 Ca 0.16 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 1ry1 s LEU 215 Cb -0.23 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1ry1 s LEU 215 CO -0.04 -0.42 0.24 -0.22 0.23 0.00 0.00 176.35 176.15 1ry1 s LEU 216 N 2.32 4.15 -0.28 1.79 2.96 -0.53 -0.03 118.68 129.05 1ry1 s LEU 216 Ca 0.36 0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 54.41 1ry1 s LEU 216 Cb -0.16 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1ry1 s LEU 216 CO 0.11 0.04 0.31 -0.69 -1.32 0.00 0.00 176.35 174.80 1ry1 s VAL 217 N 1.02 5.22 -0.07 1.68 1.01 0.46 -2.04 120.40 127.68 1ry1 s VAL 217 Ca 0.12 0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.53 1ry1 s VAL 217 Cb -0.14 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1ry1 s VAL 217 CO 0.05 0.15 -0.23 -0.76 0.00 0.00 0.00 175.10 174.31 1ry1 s LEU 218 N 1.97 2.17 -0.41 3.92 1.43 -0.76 -4.42 118.68 122.58 1ry1 s LEU 218 Ca 0.12 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1ry1 s LEU 218 Cb -0.16 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1ry1 s LEU 218 CO 0.10 0.24 1.22 -0.62 0.23 0.00 0.00 176.35 177.52 1ry1 s ASP 219 N -0.13 6.62 0.58 2.29 -1.08 -1.23 -1.95 116.67 121.76 1ry1 s ASP 219 Ca -0.04 0.77 0.27 0.00 -0.52 0.00 0.00 52.55 53.03 1ry1 s ASP 219 Cb -0.14 -2.54 1.61 0.00 -1.46 0.00 0.00 42.92 40.38 1ry1 s ASP 219 CO 0.04 -1.20 2.11 0.00 0.52 0.00 0.00 175.17 176.64 1ry1 h ALA 220 N 9.38 1.87 0.00 3.66 0.00 -1.35 -1.58 119.26 131.25 1ry1 h ALA 220 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ry1 h ALA 220 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ry1 h ALA 220 CO 1.09 -0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.73 1ry1 n MET 221 N -3.95 0.77 -0.13 0.00 2.81 -1.26 -2.52 117.12 112.84 1ry1 n MET 221 Ca 0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 1ry1 n MET 221 Cb 0.31 -1.48 0.29 0.00 -0.71 0.00 0.00 33.22 31.63 1ry1 n MET 221 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ry1 n THR 222 N -0.98 0.34 -1.03 2.03 -2.24 -0.59 -5.03 114.28 106.78 1ry1 n THR 222 Ca 0.18 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1ry1 n THR 222 Cb 0.08 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1ry1 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ry1 n GLY 223 N 1.30 3.37 0.22 3.38 0.00 -1.05 -2.52 105.19 109.90 1ry1 n GLY 223 Ca 0.17 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1ry1 n GLY 223 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ry1 h GLN 224 N 0.00 0.00 -0.51 1.61 4.20 -1.91 -2.96 115.11 115.54 1ry1 h GLN 224 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ry1 h GLN 224 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1ry1 h GLN 224 CO 0.00 0.00 0.28 1.49 -0.67 0.00 0.00 178.83 179.93 1ry1 h GLU 225 N 0.00 0.69 0.00 1.46 4.57 -1.91 -0.19 114.58 119.21 1ry1 h GLU 225 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ry1 h GLU 225 Cb 0.58 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1ry1 h GLU 225 CO 0.00 0.50 0.00 0.00 -1.18 0.00 0.00 179.01 178.33 1ry1 h ALA 226 N 1.61 1.00 0.05 2.92 0.00 -1.63 -1.76 119.26 121.45 1ry1 h ALA 226 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1ry1 h ALA 226 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ry1 h ALA 226 CO -0.03 0.00 -1.63 -0.07 0.00 0.00 0.00 179.25 177.51 1ry1 h LEU 227 N 0.00 0.16 -0.79 0.00 3.38 -1.20 -2.20 115.31 114.65 1ry1 h LEU 227 Ca 0.00 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 1ry1 h LEU 227 Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ry1 h LEU 227 CO 0.00 1.24 -0.56 0.77 0.09 0.00 0.00 178.44 179.98 1ry1 h SER 228 N 0.03 0.14 -0.12 -0.43 4.64 -1.20 -1.88 113.55 114.72 1ry1 h SER 228 Ca -0.27 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 60.79 1ry1 h SER 228 Cb 1.99 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 64.05 1ry1 h SER 228 CO 0.11 0.68 -0.64 0.58 -0.87 0.00 0.00 176.83 176.68 1ry1 h VAL 229 N 0.10 1.32 -0.77 0.95 2.07 -1.42 -2.23 116.25 116.27 1ry1 h VAL 229 Ca -0.00 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 65.68 1ry1 h VAL 229 Cb 1.02 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 1ry1 h VAL 229 CO 0.08 0.59 0.51 0.00 0.02 0.00 0.00 177.57 178.76 1ry1 h ALA 230 N 0.50 1.65 -0.26 1.67 0.00 -1.17 0.25 119.26 121.91 1ry1 h ALA 230 Ca -0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1ry1 h ALA 230 Cb 1.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ry1 h ALA 230 CO 0.13 0.23 -0.42 0.00 0.00 0.00 0.00 179.25 179.19 1ry1 h ARG 231 N 0.83 0.74 -0.32 0.00 3.08 -1.28 -1.50 114.38 115.93 1ry1 h ARG 231 Ca 0.33 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ry1 h ARG 231 Cb 0.24 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1ry1 h ARG 231 CO -0.11 1.08 0.20 0.00 -1.07 0.00 0.00 179.97 180.06 1ry1 h ALA 232 N 0.66 0.41 -0.39 0.04 0.00 -0.54 -0.07 119.26 119.36 1ry1 h ALA 232 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ry1 h ALA 232 Cb 1.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ry1 h ALA 232 CO 0.10 -0.10 -0.09 0.74 0.00 0.00 0.00 179.25 179.89 1ry1 h PHE 233 N 0.42 0.74 -0.27 0.00 0.04 -0.54 0.46 116.94 117.79 1ry1 h PHE 233 Ca 0.12 -0.12 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 1ry1 h PHE 233 Cb -0.01 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1ry1 h PHE 233 CO -0.05 0.75 -0.42 0.22 -0.60 0.00 0.00 178.31 178.21 1ry1 h ASP 234 N 0.62 0.69 0.76 2.17 3.58 -0.88 0.17 116.42 123.54 1ry1 h ASP 234 Ca 0.11 -0.32 -0.23 0.00 0.42 0.00 0.00 57.03 57.02 1ry1 h ASP 234 Cb 0.53 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1ry1 h ASP 234 CO 0.03 1.02 -1.05 -0.08 -2.88 0.00 0.00 179.24 176.28 1ry1 h GLU 235 N 0.53 0.14 0.00 0.28 4.57 -0.82 -2.71 114.58 116.57 1ry1 h GLU 235 Ca 0.04 -0.22 -0.20 0.00 -1.18 0.00 0.00 59.36 57.80 1ry1 h GLU 235 Cb 0.95 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 1ry1 h GLU 235 CO 0.09 1.06 -1.57 1.63 -1.18 0.00 0.00 179.01 179.04 1ry1 n LYS 236 N -3.50 0.63 0.00 1.92 5.02 0.13 -4.77 118.16 117.60 1ry1 n LYS 236 Ca -0.04 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1ry1 n LYS 236 Cb 0.93 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1ry1 n LYS 236 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ry1 n VAL 237 N -2.88 0.00 0.00 -0.18 0.31 0.46 -4.78 118.33 111.25 1ry1 n VAL 237 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1ry1 n VAL 237 Cb 0.89 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1ry1 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ry1 n GLY 238 N 2.40 1.88 3.65 2.92 0.00 -0.29 -4.93 105.19 110.83 1ry1 n GLY 238 Ca 0.00 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1ry1 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ry1 s VAL 239 N 0.00 3.92 -0.02 1.61 1.01 -1.26 -4.80 120.40 120.85 1ry1 s VAL 239 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1ry1 s VAL 239 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1ry1 s VAL 239 CO 0.00 0.26 0.02 0.35 0.00 0.00 0.00 175.10 175.73 1ry1 n THR 240 N 1.06 0.16 -3.72 3.92 -2.24 -0.77 -4.97 114.28 107.72 1ry1 n THR 240 Ca -0.13 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1ry1 n THR 240 Cb 0.52 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 1ry1 n THR 240 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ry1 s GLY 241 N -3.18 -0.09 0.21 3.38 0.00 -1.19 -4.39 107.32 102.06 1ry1 s GLY 241 Ca -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 44.72 44.59 1ry1 s GLY 241 CO 0.11 -0.35 -0.23 1.08 0.00 0.00 0.00 173.10 173.72 1ry1 s LEU 242 N -2.86 2.46 -0.15 0.66 1.43 0.50 -1.46 118.68 119.27 1ry1 s LEU 242 Ca 0.08 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1ry1 s LEU 242 Cb 0.01 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 45.12 1ry1 s LEU 242 CO -0.06 0.10 0.00 -0.69 0.23 0.00 0.00 176.35 175.94 1ry1 s VAL 243 N -1.84 0.63 -0.57 -1.59 1.01 -0.87 -0.87 120.40 116.31 1ry1 s VAL 243 Ca 0.22 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 1ry1 s VAL 243 Cb -0.07 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.43 1ry1 s VAL 243 CO 0.11 0.02 0.76 -0.76 0.00 0.00 0.00 175.10 175.24 1ry1 s LEU 244 N 1.83 4.82 0.41 3.92 1.43 -0.67 -1.82 118.68 128.61 1ry1 s LEU 244 Ca 0.01 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1ry1 s LEU 244 Cb -0.15 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1ry1 s LEU 244 CO -0.07 -1.11 0.63 0.42 0.23 0.00 0.00 176.35 176.45 1ry1 s THR 245 N 3.14 4.53 -1.44 5.49 -4.23 -0.82 0.41 115.64 122.73 1ry1 s THR 245 Ca 0.18 -0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 1ry1 s THR 245 Cb -0.19 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 69.99 1ry1 s THR 245 CO 0.11 -0.47 0.96 0.29 -0.54 0.00 0.00 174.62 174.97 1ry1 n LYS 246 N -1.97 -6.74 0.23 3.99 5.02 -1.20 -1.03 118.16 116.45 1ry1 n LYS 246 Ca -0.01 0.85 0.12 0.00 -2.02 0.00 0.00 58.31 57.25 1ry1 n LYS 246 Cb 0.57 -5.83 0.32 0.00 -0.02 0.00 0.00 35.03 30.06 1ry1 n LYS 246 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ry1 h LEU 247 N -2.19 0.00 -1.07 -0.35 3.38 -1.63 -2.42 115.31 111.02 1ry1 h LEU 247 Ca -0.56 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1ry1 h LEU 247 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1ry1 h LEU 247 CO 0.57 0.07 -0.19 -2.24 0.09 0.00 0.00 178.44 176.74 1ry1 h ASP 248 N 0.00 0.00 -0.02 -0.43 2.03 -1.84 -2.30 116.42 113.86 1ry1 h ASP 248 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ry1 h ASP 248 Cb 0.89 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1ry1 h ASP 248 CO 0.01 0.19 -0.26 0.61 -1.03 0.00 0.00 179.24 178.75 1ry1 n GLY 249 N 0.22 0.36 3.54 7.15 0.00 -1.04 -4.86 105.19 110.55 1ry1 n GLY 249 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1ry1 n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ry1 s ASP 250 N -2.15 6.25 0.21 1.61 3.68 -0.87 -4.86 116.67 120.54 1ry1 s ASP 250 Ca 0.21 -0.39 0.19 0.00 2.13 0.00 0.00 52.55 54.69 1ry1 s ASP 250 Cb 0.18 -2.53 0.02 0.00 -1.45 0.00 0.00 42.92 39.14 1ry1 s ASP 250 CO 0.43 -1.64 1.16 0.00 0.13 0.00 0.00 175.17 175.25 1ry1 h ALA 251 N 9.78 0.67 -0.78 3.66 0.00 -1.85 -3.39 119.26 127.35 1ry1 h ALA 251 Ca -0.27 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ry1 h ALA 251 Cb 1.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ry1 h ALA 251 CO 1.23 0.46 0.00 0.54 0.00 0.00 0.00 179.25 181.48 1ry1 n ARG 252 N -2.95 0.00 0.00 0.00 1.74 -1.26 -3.57 116.66 110.62 1ry1 n ARG 252 Ca -0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1ry1 n ARG 252 Cb 0.69 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 1ry1 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ry1 n GLY 253 N 1.92 1.12 0.31 -0.13 0.00 -1.26 -4.57 105.19 102.59 1ry1 n GLY 253 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ry1 n GLY 253 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ry1 h GLY 254 N 0.00 1.14 0.96 -0.02 0.00 -1.37 -1.93 103.07 101.85 1ry1 h GLY 254 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1ry1 h GLY 254 CO 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 176.54 176.90 1ry1 h ALA 255 N 1.30 0.53 -0.04 3.60 0.00 -1.78 -2.24 119.26 120.62 1ry1 h ALA 255 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ry1 h ALA 255 Cb -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ry1 h ALA 255 CO -0.06 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.57 1ry1 h ALA 256 N 0.85 0.05 0.00 0.00 0.00 -1.87 -0.55 119.26 117.74 1ry1 h ALA 256 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ry1 h ALA 256 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ry1 h ALA 256 CO 0.03 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1ry1 n LEU 257 N -5.07 0.00 -0.00 0.00 4.77 -0.74 -3.60 117.00 112.35 1ry1 n LEU 257 Ca -0.06 0.39 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 1ry1 n LEU 257 Cb 0.03 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1ry1 n LEU 257 CO 0.33 -0.11 -0.19 -1.20 -1.33 0.00 0.00 177.39 174.89 1ry1 n SER 258 N -1.39 1.39 -0.31 -1.43 7.64 -0.85 -4.65 113.62 114.02 1ry1 n SER 258 Ca 0.08 -0.42 0.06 0.00 1.01 0.00 0.00 58.87 59.60 1ry1 n SER 258 Cb 0.21 1.07 0.21 0.00 -1.01 0.00 0.00 64.21 64.69 1ry1 n SER 258 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ry1 h ALA 259 N 0.62 1.31 0.37 -0.43 0.00 -1.17 -0.70 119.26 119.27 1ry1 h ALA 259 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ry1 h ALA 259 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ry1 h ALA 259 CO 0.00 0.06 -0.31 -0.09 0.00 0.00 0.00 179.25 178.92 1ry1 h ARG 260 N 0.79 -0.63 -0.42 0.00 2.43 -1.79 0.65 114.38 115.40 1ry1 h ARG 260 Ca 0.45 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1ry1 h ARG 260 Cb 0.51 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1ry1 h ARG 260 CO -0.29 -0.42 0.10 1.25 -1.51 0.00 0.00 179.97 179.09 1ry1 h HIS 261 N -0.66 0.71 -0.02 2.20 2.76 -1.85 0.16 115.15 118.45 1ry1 h HIS 261 Ca -0.05 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.02 1ry1 h HIS 261 Cb 0.55 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1ry1 h HIS 261 CO -0.13 0.68 -0.03 0.28 -1.30 0.00 0.00 177.93 177.43 1ry1 h VAL 262 N 0.54 1.39 0.00 5.26 2.07 -1.15 -3.38 116.25 120.99 1ry1 h VAL 262 Ca 0.13 -1.21 -0.35 0.00 0.82 0.00 0.00 66.70 66.09 1ry1 h VAL 262 Cb 0.33 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1ry1 h VAL 262 CO 0.00 0.32 -2.25 0.35 0.02 0.00 0.00 177.57 176.01 1ry1 n THR 263 N -4.80 1.42 -1.09 2.57 -2.24 0.19 -4.98 114.28 105.36 1ry1 n THR 263 Ca -0.08 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.82 1ry1 n THR 263 Cb 0.28 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 1ry1 n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ry1 n GLY 264 N 1.71 0.60 3.74 3.38 0.00 0.56 -5.01 105.19 110.17 1ry1 n GLY 264 Ca -0.30 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1ry1 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ry1 s LYS 265 N -1.55 2.71 0.05 1.61 -0.14 -1.26 -5.05 119.74 116.12 1ry1 s LYS 265 Ca 0.00 -0.83 -0.21 0.00 -1.36 0.00 0.00 55.97 53.58 1ry1 s LYS 265 Cb 0.00 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.49 1ry1 s LYS 265 CO 0.00 0.53 0.61 -1.25 -0.76 0.00 0.00 175.35 174.47 1ry1 s PRO 266 N -2.58 4.29 -0.53 -1.68 0.04 -1.26 -4.52 135.00 128.76 1ry1 s PRO 266 Ca 0.28 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 61.89 1ry1 s PRO 266 Cb -0.11 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.19 1ry1 s PRO 266 CO 0.21 0.52 0.81 0.42 0.04 0.00 0.00 177.00 178.99 1ry1 s ILE 267 N -0.73 4.59 -0.02 0.56 1.01 -1.26 -0.37 121.20 124.98 1ry1 s ILE 267 Ca 0.31 -0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.74 1ry1 s ILE 267 Cb -0.19 -4.43 -0.25 0.00 0.01 0.00 0.00 42.46 37.59 1ry1 s ILE 267 CO 0.19 -0.96 1.03 1.88 0.00 0.00 0.00 174.94 177.08 1ry1 h TYR 268 N 9.17 0.52 -3.20 3.97 0.05 -1.27 -3.41 116.97 122.81 1ry1 h TYR 268 Ca -0.27 -0.31 -0.39 0.00 0.05 0.00 0.00 58.73 57.82 1ry1 h TYR 268 Cb 1.08 -0.05 -0.14 0.00 1.01 0.00 0.00 36.73 38.63 1ry1 h TYR 268 CO 0.84 1.15 -0.68 -0.06 -1.05 0.00 0.00 178.16 178.36 1ry1 s PHE 269 N -3.00 1.55 -0.06 4.88 0.40 -1.21 -0.88 117.98 119.65 1ry1 s PHE 269 Ca -0.14 -0.81 0.02 0.00 -0.60 0.00 0.00 56.93 55.40 1ry1 s PHE 269 Cb 0.02 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.72 1ry1 s PHE 269 CO 0.81 0.08 -0.11 0.00 0.70 0.00 0.00 175.22 176.70 1ry1 s ALA 270 N -3.29 1.12 -0.11 5.36 0.00 -0.67 -1.66 121.76 122.51 1ry1 s ALA 270 Ca 0.25 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 1ry1 s ALA 270 Cb 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1ry1 s ALA 270 CO 0.07 0.10 0.64 0.20 0.00 0.00 0.00 175.76 176.77 1ry1 s GLY 271 N 0.66 2.43 -0.06 0.00 0.00 0.17 -2.84 107.32 107.68 1ry1 s GLY 271 Ca -0.13 -0.02 0.09 0.00 0.00 0.00 0.00 44.72 44.66 1ry1 s GLY 271 CO 0.03 1.14 1.02 3.33 0.00 0.00 0.00 173.10 178.62 1ry1 n VAL 272 N 3.98 1.19 0.00 1.40 0.24 -0.00 -2.10 118.33 123.05 1ry1 n VAL 272 Ca -0.02 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1ry1 n VAL 272 Cb 0.51 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1ry1 n VAL 272 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ry1 n SER 273 N -0.82 0.00 -0.02 -1.34 3.41 -1.24 -4.69 113.62 108.92 1ry1 n SER 273 Ca 0.07 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.83 1ry1 n SER 273 Cb 0.50 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.18 1ry1 n SER 273 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ry1 n GLU 274 N -0.12 0.45 -2.94 4.33 1.02 -1.26 -4.56 120.64 117.56 1ry1 n GLU 274 Ca 0.00 -0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.74 1ry1 n GLU 274 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 1ry1 n GLU 274 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ry1 s LYS 275 N -2.58 4.37 0.62 3.49 1.02 -1.26 -4.94 119.74 120.46 1ry1 s LYS 275 Ca 0.28 1.07 0.23 0.00 0.02 0.00 0.00 55.97 57.57 1ry1 s LYS 275 Cb 0.20 -2.73 1.28 0.00 -0.52 0.00 0.00 37.83 36.06 1ry1 s LYS 275 CO 0.47 0.28 1.70 -1.35 -0.92 0.00 0.00 175.35 175.53 1ry1 h PRO 276 N 3.05 0.00 -0.01 -1.68 0.11 -1.93 0.62 132.00 132.16 1ry1 h PRO 276 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ry1 h PRO 276 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ry1 h PRO 276 CO 0.65 0.00 -0.55 0.39 -0.21 0.00 0.00 178.00 178.28 1ry1 n GLU 277 N -2.71 0.61 -0.62 1.05 4.71 -1.26 -4.30 120.64 118.11 1ry1 n GLU 277 Ca -0.02 -0.45 -0.10 0.00 -0.01 0.00 0.00 57.16 56.58 1ry1 n GLU 277 Cb 0.46 -1.49 -0.08 0.00 -1.01 0.00 0.00 31.44 29.31 1ry1 n GLU 277 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ry1 n GLY 278 N 1.43 2.36 2.99 0.62 0.00 0.22 -4.78 105.19 108.03 1ry1 n GLY 278 Ca 0.08 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1ry1 n GLY 278 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ry1 s LEU 279 N 0.02 2.20 -0.07 0.99 2.96 -1.26 -0.82 118.68 122.69 1ry1 s LEU 279 Ca 0.40 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.51 1ry1 s LEU 279 Cb 0.17 0.15 0.09 0.00 0.50 0.00 0.00 46.19 47.10 1ry1 s LEU 279 CO -0.01 -0.32 0.79 -1.83 -1.32 0.00 0.00 176.35 173.67 1ry1 s GLU 280 N -1.54 0.90 0.40 1.98 -1.05 -1.13 -4.98 118.70 113.28 1ry1 s GLU 280 Ca -0.15 0.13 -0.27 0.00 -0.15 0.00 0.00 54.97 54.53 1ry1 s GLU 280 Cb -0.09 0.43 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 1ry1 s GLU 280 CO -0.01 -0.30 1.43 -2.14 0.95 0.00 0.00 175.26 175.18 1ry1 s PRO 281 N -1.49 3.99 -0.03 -4.83 0.02 -1.26 -1.67 135.00 129.73 1ry1 s PRO 281 Ca -0.06 2.44 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 1ry1 s PRO 281 Cb -0.00 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 31.60 1ry1 s PRO 281 CO 0.04 -0.58 1.49 0.12 -0.33 0.00 0.00 177.00 177.75 1ry1 s PHE 282 N -1.16 2.53 -0.50 6.54 5.36 -0.06 -4.74 117.98 125.94 1ry1 s PHE 282 Ca 0.55 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.15 1ry1 s PHE 282 Cb -0.44 -3.76 0.13 0.00 -0.34 0.00 0.00 43.02 38.61 1ry1 s PHE 282 CO 0.58 -2.96 0.24 -0.47 -1.46 0.00 0.00 175.22 171.15 1ry1 s TYR 283 N 3.08 3.20 0.25 10.12 6.04 -1.26 -4.42 117.35 134.35 1ry1 s TYR 283 Ca 0.67 -3.14 -0.04 0.00 0.04 0.00 0.00 57.07 54.60 1ry1 s TYR 283 Cb -0.32 -2.80 0.47 0.00 -1.04 0.00 0.00 41.96 38.27 1ry1 s TYR 283 CO 0.27 -0.76 1.71 -1.35 -1.54 0.00 0.00 175.55 173.88 1ry1 h PRO 284 N 6.61 0.37 -0.37 4.97 0.11 -1.86 -1.00 132.00 140.82 1ry1 h PRO 284 Ca -0.07 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.04 1ry1 h PRO 284 Cb 0.90 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1ry1 h PRO 284 CO 0.67 0.24 0.18 1.49 -0.21 0.00 0.00 178.00 180.37 1ry1 h GLU 285 N 0.38 0.37 0.68 1.05 4.81 -1.86 0.39 114.58 120.40 1ry1 h GLU 285 Ca 0.42 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1ry1 h GLU 285 Cb 0.67 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1ry1 h GLU 285 CO -0.44 0.24 -0.44 -0.09 -0.73 0.00 0.00 179.01 177.55 1ry1 h ARG 286 N 0.38 -1.02 -0.67 1.92 2.43 -1.63 -2.01 114.38 113.78 1ry1 h ARG 286 Ca 0.16 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1ry1 h ARG 286 Cb 0.06 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1ry1 h ARG 286 CO -0.11 -0.68 0.40 -0.07 -1.51 0.00 0.00 179.97 178.00 1ry1 h LEU 287 N -1.06 0.64 0.18 3.80 3.38 -1.23 0.27 115.31 121.29 1ry1 h LEU 287 Ca -0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ry1 h LEU 287 Cb 0.86 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1ry1 h LEU 287 CO 0.07 0.44 -0.40 0.00 0.09 0.00 0.00 178.44 178.64 1ry1 h ALA 288 N 1.31 -0.75 -0.17 1.53 0.00 -0.83 0.17 119.26 120.52 1ry1 h ALA 288 Ca 0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ry1 h ALA 288 Cb 0.07 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ry1 h ALA 288 CO -0.13 -0.98 -0.13 0.78 0.00 0.00 0.00 179.25 178.79 1ry1 h GLY 289 N -0.68 0.28 0.82 0.00 0.00 -1.06 -2.86 103.07 99.58 1ry1 h GLY 289 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1ry1 h GLY 289 CO -0.20 0.17 0.03 3.21 0.00 0.00 0.00 176.54 179.74 1ry1 h ARG 290 N 0.25 0.27 -0.28 4.80 3.08 0.23 0.67 114.38 123.40 1ry1 h ARG 290 Ca 0.05 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1ry1 h ARG 290 Cb 0.39 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1ry1 h ARG 290 CO 0.02 0.44 0.24 0.82 -1.07 0.00 0.00 179.97 180.43 1ry1 h ILE 291 N 0.06 0.64 -0.00 2.04 2.04 -0.46 -1.26 117.51 120.56 1ry1 h ILE 291 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1ry1 h ILE 291 Cb 0.30 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1ry1 h ILE 291 CO 0.00 0.00 -0.76 0.18 0.00 0.00 0.00 178.15 177.57 1ry1 n LEU 292 N -4.11 1.03 0.00 1.44 4.77 -1.07 -4.34 117.00 114.71 1ry1 n LEU 292 Ca 0.04 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1ry1 n LEU 292 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ry1 n LEU 292 CO 0.32 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1ry1 n GLY 293 N 1.40 0.82 0.00 -0.72 0.00 0.27 -5.04 105.19 101.91 1ry1 n GLY 293 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ry1 n GLY 293 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19