#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ps1 n ASP 4 N 0.00 0.00 -4.10 1.69 5.68 -1.26 -4.89 116.55 113.68 1ps1 n ASP 4 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.03 1ps1 n ASP 4 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 1ps1 n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ps1 s VAL 5 N -0.49 1.39 0.30 2.12 1.01 -1.26 -5.12 120.40 118.36 1ps1 s VAL 5 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1ps1 s VAL 5 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 36.38 35.05 1ps1 s VAL 5 CO 0.00 0.41 1.47 -1.81 0.00 0.00 0.00 175.10 175.17 1ps1 s ASP 6 N 0.37 6.53 0.04 3.32 1.01 -1.26 -5.05 116.67 121.63 1ps1 s ASP 6 Ca -0.11 2.83 -0.06 0.00 0.71 0.00 0.00 52.55 55.91 1ps1 s ASP 6 Cb -0.14 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.14 1ps1 s ASP 6 CO 0.04 -0.77 0.12 -0.36 0.21 0.00 0.00 175.17 174.41 1ps1 s PHE 7 N -0.41 0.17 -1.00 4.23 0.08 -1.26 -5.01 117.98 114.78 1ps1 s PHE 7 Ca 0.57 -0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.03 1ps1 s PHE 7 Cb -0.44 -0.12 0.19 0.00 -0.57 0.00 0.00 43.02 42.08 1ps1 s PHE 7 CO 0.50 -0.38 1.10 -1.58 -0.10 0.00 0.00 175.22 174.76 1ps1 s HIS 8 N -2.61 3.57 -0.62 0.36 5.65 -1.26 -4.97 115.29 115.42 1ps1 s HIS 8 Ca -0.05 -1.94 0.04 0.00 0.25 0.00 0.00 55.06 53.36 1ps1 s HIS 8 Cb -0.01 -4.09 0.16 0.00 -1.18 0.00 0.00 32.58 27.45 1ps1 s HIS 8 CO -0.04 -1.24 0.41 0.42 -0.65 0.00 0.00 174.74 173.63 1ps1 s ILE 9 N 1.09 2.49 -1.30 0.89 -1.09 -1.26 -4.82 121.20 117.20 1ps1 s ILE 9 Ca 0.31 -3.78 -0.09 0.00 -2.23 0.00 0.00 60.65 54.86 1ps1 s ILE 9 Cb -0.07 -2.66 -0.07 0.00 -1.58 0.00 0.00 42.46 38.08 1ps1 s ILE 9 CO -0.07 -0.97 2.55 -0.81 -1.23 0.00 0.00 174.94 174.42 1ps1 n PRO 10 N 2.44 2.94 -4.10 2.79 -0.04 -1.26 -4.84 135.00 132.92 1ps1 n PRO 10 Ca 0.16 -1.90 -0.14 0.00 -0.04 0.00 0.00 63.50 61.58 1ps1 n PRO 10 Cb 0.35 -2.68 -0.11 0.00 -0.04 0.00 0.00 33.50 31.02 1ps1 n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ps1 s LEU 11 N 0.26 2.29 -0.13 1.53 1.43 -1.26 -5.11 118.68 117.69 1ps1 s LEU 11 Ca 0.56 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1ps1 s LEU 11 Cb 0.14 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1ps1 s LEU 11 CO -0.05 -0.21 1.60 -2.16 0.23 0.00 0.00 176.35 175.77 1ps1 s PRO 12 N -1.91 4.02 0.28 1.29 0.04 -1.26 -4.98 135.00 132.48 1ps1 s PRO 12 Ca -0.05 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1ps1 s PRO 12 Cb -0.08 -3.99 -0.10 0.00 0.04 0.00 0.00 34.50 30.38 1ps1 s PRO 12 CO 0.00 -1.02 1.31 0.20 0.04 0.00 0.00 177.00 177.53 1ps1 s GLY 13 N 3.61 2.76 0.13 0.56 0.00 -1.26 -4.99 107.32 108.12 1ps1 s GLY 13 Ca 0.71 1.19 -0.06 0.00 0.00 0.00 0.00 44.72 46.57 1ps1 s GLY 13 CO 0.28 1.97 0.17 0.50 0.00 0.00 0.00 173.10 176.01 1ps1 s ARG 14 N -1.09 0.98 -0.28 2.90 0.52 -1.26 -5.18 118.95 115.54 1ps1 s ARG 14 Ca 0.52 -1.23 -0.22 0.00 -0.52 0.00 0.00 55.73 54.28 1ps1 s ARG 14 Cb -0.38 0.31 0.13 0.00 0.52 0.00 0.00 34.95 35.52 1ps1 s ARG 14 CO 0.46 -0.32 0.99 -1.14 0.02 0.00 0.00 175.30 175.31 1ps1 s GLN 15 N -3.97 0.48 0.05 3.54 0.74 -1.26 -4.70 119.66 114.54 1ps1 s GLN 15 Ca 0.17 0.67 -0.34 0.00 0.05 0.00 0.00 55.36 55.91 1ps1 s GLN 15 Cb 0.05 0.19 -0.13 0.00 1.10 0.00 0.00 33.01 34.23 1ps1 s GLN 15 CO -0.02 -0.07 1.74 0.45 -0.55 0.00 0.00 175.29 176.84 1ps1 n SER 16 N 2.84 3.36 0.14 6.67 2.88 -0.17 -4.89 113.62 124.45 1ps1 n SER 16 Ca -0.15 1.02 0.18 0.00 -1.33 0.00 0.00 58.87 58.60 1ps1 n SER 16 Cb 0.57 -1.42 0.78 0.00 -0.75 0.00 0.00 64.21 63.39 1ps1 n SER 16 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ps1 h PRO 17 N 7.68 0.00 -0.38 -1.46 0.13 -1.87 -1.26 132.00 134.84 1ps1 h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ps1 h PRO 17 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ps1 h PRO 17 CO 0.92 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.22 1ps1 n ASP 18 N -3.86 1.70 -0.30 1.44 2.03 -1.26 -4.58 116.55 111.71 1ps1 n ASP 18 Ca 0.05 -2.06 -0.01 0.00 0.52 0.00 0.00 54.79 53.28 1ps1 n ASP 18 Cb 0.46 -0.25 0.11 0.00 -0.72 0.00 0.00 41.12 40.72 1ps1 n ASP 18 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1ps1 h HIS 19 N 1.56 0.99 -0.31 -0.67 2.07 -1.60 -2.72 115.15 114.47 1ps1 h HIS 19 Ca 0.00 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.54 1ps1 h HIS 19 Cb 0.49 -0.32 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 1ps1 h HIS 19 CO 0.22 0.56 0.16 0.00 -3.07 0.00 0.00 177.93 175.80 1ps1 h ALA 20 N 1.35 0.39 -0.29 6.11 0.00 -1.85 0.17 119.26 125.15 1ps1 h ALA 20 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ps1 h ALA 20 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ps1 h ALA 20 CO -0.13 -0.07 0.12 -0.09 0.00 0.00 0.00 179.25 179.08 1ps1 h ARG 21 N 0.37 0.40 -0.37 0.00 2.43 -1.89 -1.00 114.38 114.31 1ps1 h ARG 21 Ca 0.11 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1ps1 h ARG 21 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ps1 h ARG 21 CO -0.02 0.33 -0.25 0.00 -1.51 0.00 0.00 179.97 178.53 1ps1 h ALA 22 N 1.73 0.53 -0.11 2.80 0.00 -0.94 -2.38 119.26 120.90 1ps1 h ALA 22 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1ps1 h ALA 22 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ps1 h ALA 22 CO -0.01 0.53 -0.44 1.49 0.00 0.00 0.00 179.25 180.82 1ps1 h GLU 23 N 0.63 0.25 0.10 0.00 4.81 -0.63 -2.76 114.58 116.97 1ps1 h GLU 23 Ca 0.08 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ps1 h GLU 23 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1ps1 h GLU 23 CO 0.07 0.64 -0.05 0.00 -0.73 0.00 0.00 179.01 178.94 1ps1 h ALA 24 N 1.34 -0.13 -0.16 2.92 0.00 -1.01 -3.22 119.26 119.00 1ps1 h ALA 24 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ps1 h ALA 24 Cb 0.86 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ps1 h ALA 24 CO 0.07 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.30 1ps1 n GLU 25 N -5.00 1.49 -0.33 0.00 1.02 -0.91 -4.54 120.64 112.37 1ps1 n GLU 25 Ca -0.08 -0.75 0.22 0.00 -0.02 0.00 0.00 57.16 56.53 1ps1 n GLU 25 Cb 0.20 -1.26 0.42 0.00 -0.02 0.00 0.00 31.44 30.78 1ps1 n GLU 25 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ps1 h GLN 26 N 1.35 0.02 0.00 3.49 4.15 -1.50 -2.92 115.11 119.70 1ps1 h GLN 26 Ca 0.00 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1ps1 h GLN 26 Cb 0.30 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1ps1 h GLN 26 CO 0.00 0.01 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.22 1ps1 h LEU 27 N 0.02 0.00 -0.92 -2.39 3.38 -1.86 -3.36 115.31 110.18 1ps1 h LEU 27 Ca 0.70 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.86 1ps1 h LEU 27 Cb 1.65 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.30 1ps1 h LEU 27 CO -0.85 0.62 0.49 0.00 0.09 0.00 0.00 178.44 178.79 1ps1 h ALA 28 N 1.38 1.48 0.67 1.53 0.00 -1.88 -2.26 119.26 120.17 1ps1 h ALA 28 Ca -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ps1 h ALA 28 Cb 1.36 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1ps1 h ALA 28 CO 0.08 -0.15 -0.32 2.35 0.00 0.00 0.00 179.25 181.21 1ps1 h TRP 29 N 0.61 -0.83 0.00 0.00 7.01 -1.79 -1.58 115.95 119.37 1ps1 h TRP 29 Ca 0.54 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.51 1ps1 h TRP 29 Cb 0.87 0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1ps1 h TRP 29 CO -0.07 -0.52 -0.02 -1.00 -2.79 0.00 0.00 178.44 174.04 1ps1 h PRO 30 N -1.24 0.00 0.29 2.65 0.13 -1.77 -2.93 132.00 129.13 1ps1 h PRO 30 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1ps1 h PRO 30 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1ps1 h PRO 30 CO 0.15 0.02 -0.14 0.00 -0.23 0.00 0.00 178.00 177.80 1ps1 h ARG 31 N 0.00 -0.37 0.00 0.86 3.08 -1.34 0.11 114.38 116.72 1ps1 h ARG 31 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ps1 h ARG 31 Cb 0.05 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ps1 h ARG 31 CO 0.00 -0.25 0.24 -1.13 -1.07 0.00 0.00 179.97 177.77 1ps1 n SER 32 N -3.60 0.03 -0.79 7.04 3.41 -0.60 0.80 113.62 119.90 1ps1 n SER 32 Ca -0.05 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.93 1ps1 n SER 32 Cb 0.15 -0.29 0.18 0.00 -0.26 0.00 0.00 64.21 63.99 1ps1 n SER 32 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ps1 n LEU 33 N -1.33 3.05 -0.61 1.04 7.99 -1.14 -4.95 117.00 121.04 1ps1 n LEU 33 Ca -0.00 -1.85 -0.08 0.00 -0.01 0.00 0.00 56.01 54.07 1ps1 n LEU 33 Cb 0.24 -0.26 -0.03 0.00 -0.11 0.00 0.00 43.42 43.26 1ps1 n LEU 33 CO 0.00 0.74 -0.08 0.61 -1.51 0.00 0.00 177.39 177.16 1ps1 n GLY 34 N 0.82 0.97 0.18 -0.72 0.00 0.24 -4.76 105.19 101.91 1ps1 n GLY 34 Ca 0.14 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1ps1 n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ps1 h LEU 35 N 0.00 0.00 -7.71 0.99 4.07 -0.89 -3.42 115.31 108.34 1ps1 h LEU 35 Ca -0.16 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.27 1ps1 h LEU 35 Cb 0.63 0.00 -0.37 0.00 1.08 0.00 0.00 40.66 42.00 1ps1 h LEU 35 CO 0.24 0.19 -0.80 -0.63 -1.08 0.00 0.00 178.44 176.35 1ps1 s ILE 36 N -3.13 1.03 -0.17 1.22 1.01 -1.16 -5.01 121.20 114.98 1ps1 s ILE 36 Ca 0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1ps1 s ILE 36 Cb 0.06 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.42 1ps1 s ILE 36 CO 0.71 0.37 -0.28 0.54 0.00 0.00 0.00 174.94 176.28 1ps1 n ARG 37 N 4.89 0.44 -2.82 2.79 1.74 -1.26 -4.55 116.66 117.89 1ps1 n ARG 37 Ca -0.13 0.19 -0.26 0.00 -0.77 0.00 0.00 57.85 56.88 1ps1 n ARG 37 Cb 0.50 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1ps1 n ARG 37 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ps1 s SER 38 N -6.45 6.16 0.52 0.55 1.04 -1.26 -5.00 113.70 109.26 1ps1 s SER 38 Ca -0.27 0.73 0.29 0.00 0.48 0.00 0.00 55.95 57.18 1ps1 s SER 38 Cb 0.07 -2.07 1.39 0.00 0.10 0.00 0.00 66.02 65.51 1ps1 s SER 38 CO 0.37 -0.57 2.02 0.44 0.98 0.00 0.00 173.24 176.47 1ps1 h ASP 39 N 0.33 0.00 1.60 7.02 5.19 -1.99 -1.21 116.42 127.35 1ps1 h ASP 39 Ca -0.47 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.88 1ps1 h ASP 39 Cb 1.22 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 1ps1 h ASP 39 CO 0.61 0.12 -0.41 0.00 -3.12 0.00 0.00 179.24 176.44 1ps1 h ALA 40 N 1.88 0.79 0.19 3.45 0.00 -1.98 -2.87 119.26 120.72 1ps1 h ALA 40 Ca -0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 1ps1 h ALA 40 Cb 0.44 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ps1 h ALA 40 CO 0.02 0.30 -1.37 0.00 0.00 0.00 0.00 179.25 178.20 1ps1 h ALA 41 N 1.77 -0.08 -0.31 0.00 0.00 -1.64 -1.12 119.26 117.88 1ps1 h ALA 41 Ca -0.01 -0.82 0.06 0.00 0.00 0.00 0.00 54.91 54.14 1ps1 h ALA 41 Cb 1.19 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1ps1 h ALA 41 CO 0.03 0.69 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 1ps1 h ALA 42 N 0.23 0.18 0.00 0.00 0.00 -1.51 -0.75 119.26 117.40 1ps1 h ALA 42 Ca -0.22 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1ps1 h ALA 42 Cb 2.05 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 1ps1 h ALA 42 CO 0.26 -0.48 -0.53 1.49 0.00 0.00 0.00 179.25 179.99 1ps1 h GLU 43 N -0.02 0.00 0.00 0.00 4.57 -1.55 -0.70 114.58 116.88 1ps1 h GLU 43 Ca 0.15 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1ps1 h GLU 43 Cb 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1ps1 h GLU 43 CO -0.33 0.53 -0.27 -0.09 -1.18 0.00 0.00 179.01 177.67 1ps1 h ARG 44 N 0.00 0.00 0.23 1.92 2.43 -0.42 -2.86 114.38 115.69 1ps1 h ARG 44 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ps1 h ARG 44 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1ps1 h ARG 44 CO 0.07 0.27 -0.11 1.25 -1.51 0.00 0.00 179.97 179.94 1ps1 h HIS 45 N 0.00 -0.29 -1.09 2.20 2.76 -0.21 -3.25 115.15 115.27 1ps1 h HIS 45 Ca -0.00 -0.01 0.40 0.00 -2.20 0.00 0.00 60.37 58.56 1ps1 h HIS 45 Cb 0.62 0.10 -0.16 0.00 1.55 0.00 0.00 27.41 29.52 1ps1 h HIS 45 CO 0.00 -0.07 0.63 -0.07 -1.30 0.00 0.00 177.93 177.12 1ps1 h LEU 46 N -1.04 0.35 -0.34 0.26 3.38 -1.17 0.24 115.31 116.98 1ps1 h LEU 46 Ca -0.03 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ps1 h LEU 46 Cb 0.35 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ps1 h LEU 46 CO 0.05 -0.30 0.00 -2.11 0.09 0.00 0.00 178.44 176.17 1ps1 n ARG 47 N -5.06 1.22 0.07 1.13 1.85 -1.08 -2.74 116.66 112.05 1ps1 n ARG 47 Ca 0.36 -0.34 -0.01 0.00 -1.00 0.00 0.00 57.85 56.86 1ps1 n ARG 47 Cb 1.25 -1.30 -0.06 0.00 -1.05 0.00 0.00 32.46 31.31 1ps1 n ARG 47 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1ps1 h GLY 48 N 5.35 0.00 -4.16 2.89 0.00 -0.61 -3.42 103.07 103.12 1ps1 h GLY 48 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1ps1 h GLY 48 CO 0.00 0.00 -0.37 0.61 0.00 0.00 0.00 176.54 176.78 1ps1 n GLY 49 N 1.34 -0.13 0.09 4.60 0.00 -1.11 -2.96 105.19 107.03 1ps1 n GLY 49 Ca -0.05 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1ps1 n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ps1 n TYR 50 N -2.24 0.86 0.23 1.61 4.01 -1.26 -3.59 117.16 116.78 1ps1 n TYR 50 Ca -0.03 0.30 0.12 0.00 -0.16 0.00 0.00 57.90 58.13 1ps1 n TYR 50 Cb 0.55 -1.11 0.38 0.00 -0.31 0.00 0.00 39.34 38.85 1ps1 n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ps1 h ALA 51 N 1.18 0.97 -0.02 -0.72 0.00 -1.93 -1.60 119.26 117.14 1ps1 h ALA 51 Ca -0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1ps1 h ALA 51 Cb 1.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1ps1 h ALA 51 CO 0.06 0.14 -0.10 0.22 0.00 0.00 0.00 179.25 179.56 1ps1 h ASP 52 N 0.00 0.12 -0.85 0.00 3.58 -1.93 -2.42 116.42 114.92 1ps1 h ASP 52 Ca -0.00 -0.68 0.03 0.00 0.42 0.00 0.00 57.03 56.80 1ps1 h ASP 52 Cb 0.83 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.80 1ps1 h ASP 52 CO 0.01 0.78 0.55 0.25 -2.88 0.00 0.00 179.24 177.95 1ps1 h LEU 53 N -0.52 0.92 -0.21 2.28 5.85 -1.59 -2.22 115.31 119.82 1ps1 h LEU 53 Ca -0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ps1 h LEU 53 Cb 0.78 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1ps1 h LEU 53 CO 0.02 0.64 0.13 0.00 -0.34 0.00 0.00 178.44 178.89 1ps1 h ALA 54 N 1.34 0.26 0.00 1.25 0.00 -1.29 -1.53 119.26 119.29 1ps1 h ALA 54 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ps1 h ALA 54 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ps1 h ALA 54 CO -0.11 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 1ps1 n SER 55 N -4.96 0.00 -0.05 0.00 3.41 -0.86 -0.51 113.62 110.65 1ps1 n SER 55 Ca -0.03 0.35 -0.02 0.00 -0.26 0.00 0.00 58.87 58.90 1ps1 n SER 55 Cb 0.04 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 1ps1 n SER 55 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ps1 n ARG 56 N -1.39 1.46 0.09 4.33 1.74 -0.88 -0.99 116.66 121.01 1ps1 n ARG 56 Ca 0.02 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 1ps1 n ARG 56 Cb 0.05 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 1ps1 n ARG 56 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1ps1 h PHE 57 N 0.00 0.40 -1.69 -1.55 0.04 -0.47 -3.37 116.94 110.30 1ps1 h PHE 57 Ca -0.24 -0.27 -0.62 0.00 2.80 0.00 0.00 57.97 59.64 1ps1 h PHE 57 Cb 1.43 -0.03 -0.40 0.00 2.20 0.00 0.00 35.95 39.16 1ps1 h PHE 57 CO 0.00 1.17 -0.43 0.66 -0.60 0.00 0.00 178.31 179.11 1ps1 n TYR 58 N -3.56 3.42 0.10 -0.55 4.01 0.33 -4.59 117.16 116.33 1ps1 n TYR 58 Ca -0.06 -3.10 0.16 0.00 -0.16 0.00 0.00 57.90 54.74 1ps1 n TYR 58 Cb 0.94 -0.31 0.70 0.00 -0.31 0.00 0.00 39.34 40.37 1ps1 n TYR 58 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ps1 h PRO 59 N 2.72 0.00 0.00 -0.72 0.13 -1.72 0.21 132.00 132.62 1ps1 h PRO 59 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1ps1 h PRO 59 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ps1 h PRO 59 CO 0.94 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.32 1ps1 n HIS 60 N -4.32 0.00 -3.63 1.56 1.44 -1.26 -3.99 115.22 105.03 1ps1 n HIS 60 Ca 0.05 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.55 1ps1 n HIS 60 Cb 0.42 -0.05 -0.01 0.00 0.12 0.00 0.00 29.99 30.47 1ps1 n HIS 60 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ps1 s ALA 61 N -2.10 3.97 -0.18 1.59 0.00 0.74 -4.88 121.76 120.89 1ps1 s ALA 61 Ca 0.44 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.91 1ps1 s ALA 61 Cb 0.21 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.59 1ps1 s ALA 61 CO 0.38 0.06 0.67 0.99 0.00 0.00 0.00 175.76 177.86 1ps1 s THR 62 N -2.15 0.00 0.00 0.00 2.01 -1.26 -4.69 115.64 109.55 1ps1 s THR 62 Ca 0.40 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1ps1 s THR 62 Cb -0.09 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1ps1 s THR 62 CO 0.32 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1ps1 n GLY 63 N 2.09 1.77 0.29 4.40 0.00 -1.26 -2.58 105.19 109.90 1ps1 n GLY 63 Ca -0.16 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.42 1ps1 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps1 h ALA 64 N -0.46 1.68 -0.56 4.61 0.00 -1.99 0.07 119.26 122.61 1ps1 h ALA 64 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ps1 h ALA 64 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ps1 h ALA 64 CO 0.00 0.27 0.12 -0.44 0.00 0.00 0.00 179.25 179.21 1ps1 h ASP 65 N 0.47 0.81 -0.26 0.00 3.32 -1.87 0.15 116.42 119.05 1ps1 h ASP 65 Ca 0.12 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1ps1 h ASP 65 Cb 0.03 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ps1 h ASP 65 CO -0.02 0.80 -0.31 0.25 -1.72 0.00 0.00 179.24 178.24 1ps1 h LEU 66 N 0.83 0.72 -0.49 1.55 5.85 -1.13 -3.15 115.31 119.50 1ps1 h LEU 66 Ca 0.18 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.50 1ps1 h LEU 66 Cb 0.32 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1ps1 h LEU 66 CO 0.00 1.07 -0.02 0.44 -0.34 0.00 0.00 178.44 179.59 1ps1 h ASP 67 N 0.39 -0.25 -0.77 1.25 3.32 -0.61 0.15 116.42 119.91 1ps1 h ASP 67 Ca 0.03 0.12 0.16 0.00 0.02 0.00 0.00 57.03 57.37 1ps1 h ASP 67 Cb 0.89 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 1ps1 h ASP 67 CO 0.07 -0.09 0.52 0.25 -1.72 0.00 0.00 179.24 178.27 1ps1 h LEU 68 N 0.09 0.36 -0.09 1.55 5.85 -0.98 0.27 115.31 122.37 1ps1 h LEU 68 Ca 0.25 0.02 -0.25 0.00 0.84 0.00 0.00 57.88 58.74 1ps1 h LEU 68 Cb 0.37 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.37 1ps1 h LEU 68 CO -0.43 0.18 -0.92 1.23 -0.34 0.00 0.00 178.44 178.16 1ps1 h GLY 69 N 0.37 0.82 0.85 3.75 0.00 -0.73 -1.88 103.07 106.25 1ps1 h GLY 69 Ca 0.38 -1.29 0.01 0.00 0.00 0.00 0.00 47.33 46.42 1ps1 h GLY 69 CO -0.12 1.15 -0.08 -2.08 0.00 0.00 0.00 176.54 175.41 1ps1 h VAL 70 N 0.46 0.80 -0.82 4.60 2.07 0.35 -0.46 116.25 123.27 1ps1 h VAL 70 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1ps1 h VAL 70 Cb 1.56 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1ps1 h VAL 70 CO 0.18 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.71 1ps1 h ASP 71 N -0.16 0.75 -0.44 0.57 3.32 -0.59 0.18 116.42 120.06 1ps1 h ASP 71 Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ps1 h ASP 71 Cb 0.18 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1ps1 h ASP 71 CO -0.05 0.47 0.23 0.25 -1.72 0.00 0.00 179.24 178.42 1ps1 h LEU 72 N 0.88 0.56 -0.38 1.55 5.85 -0.90 0.12 115.31 122.99 1ps1 h LEU 72 Ca 0.37 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1ps1 h LEU 72 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ps1 h LEU 72 CO -0.19 0.51 0.22 0.24 -0.34 0.00 0.00 178.44 178.87 1ps1 h MET 73 N 0.58 0.53 0.54 1.25 2.86 0.20 0.13 114.93 121.01 1ps1 h MET 73 Ca 0.15 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1ps1 h MET 73 Cb 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1ps1 h MET 73 CO -0.02 0.43 -0.43 0.77 1.06 0.00 0.00 176.91 178.71 1ps1 h SER 74 N 0.49 -1.14 -1.01 1.22 0.02 -0.33 -2.65 113.55 110.14 1ps1 h SER 74 Ca 0.14 0.08 0.25 0.00 -0.84 0.00 0.00 61.79 61.41 1ps1 h SER 74 Cb 0.04 0.36 -0.09 0.00 0.14 0.00 0.00 62.40 62.85 1ps1 h SER 74 CO -0.02 -0.60 0.65 -0.25 -1.14 0.00 0.00 176.83 175.46 1ps1 h TRP 75 N -0.94 0.70 -0.03 3.45 7.01 -0.62 -0.79 115.95 124.72 1ps1 h TRP 75 Ca -0.07 0.02 0.02 0.00 2.11 0.00 0.00 58.89 60.98 1ps1 h TRP 75 Cb 0.78 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 1ps1 h TRP 75 CO -0.16 0.09 -0.11 0.74 -2.79 0.00 0.00 178.44 176.21 1ps1 h PHE 76 N 0.44 -0.27 -0.12 2.65 0.04 -0.61 -0.25 116.94 118.83 1ps1 h PHE 76 Ca 0.58 0.01 -0.19 0.00 2.80 0.00 0.00 57.97 61.17 1ps1 h PHE 76 Cb 1.38 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.66 1ps1 h PHE 76 CO -0.00 -0.16 -0.71 0.74 -0.60 0.00 0.00 178.31 177.58 1ps1 h PHE 77 N -0.17 0.73 -0.09 -0.55 -1.00 -1.04 -2.28 116.94 112.54 1ps1 h PHE 77 Ca 0.05 -0.31 0.01 0.00 2.81 0.00 0.00 57.97 60.53 1ps1 h PHE 77 Cb 0.24 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1ps1 h PHE 77 CO -0.18 1.08 0.04 -0.07 -1.61 0.00 0.00 178.31 177.57 1ps1 h LEU 78 N 0.38 0.05 -0.78 1.54 3.38 -1.23 -2.25 115.31 116.39 1ps1 h LEU 78 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ps1 h LEU 78 Cb 1.29 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1ps1 h LEU 78 CO 0.13 0.04 0.44 0.15 0.09 0.00 0.00 178.44 179.30 1ps1 h PHE 79 N 0.08 1.06 -0.31 1.13 3.04 -1.00 -2.90 116.94 118.05 1ps1 h PHE 79 Ca 0.03 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1ps1 h PHE 79 Cb 0.01 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.16 1ps1 h PHE 79 CO -0.09 0.73 0.17 0.22 -2.02 0.00 0.00 178.31 177.32 1ps1 h ASP 80 N 1.08 0.36 -0.76 0.41 3.58 -1.04 -2.86 116.42 117.19 1ps1 h ASP 80 Ca 0.28 -0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.77 1ps1 h ASP 80 Cb 0.01 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 40.91 1ps1 h ASP 80 CO -0.05 0.30 0.45 0.44 -2.88 0.00 0.00 179.24 177.50 1ps1 h ASP 81 N 0.42 0.70 0.00 2.28 5.19 -1.20 -2.57 116.42 121.24 1ps1 h ASP 81 Ca 0.11 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1ps1 h ASP 81 Cb 0.02 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1ps1 h ASP 81 CO -0.02 0.45 0.00 0.18 -3.12 0.00 0.00 179.24 176.73 1ps1 n LEU 82 N -4.70 0.00 -0.07 1.55 4.77 -1.08 -0.97 117.00 116.50 1ps1 n LEU 82 Ca 0.10 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1ps1 n LEU 82 Cb 0.17 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1ps1 n LEU 82 CO 0.30 -0.13 0.48 0.49 -1.33 0.00 0.00 177.39 177.20 1ps1 n PHE 83 N -1.12 0.05 0.20 -1.77 3.01 -0.97 -4.42 117.46 112.43 1ps1 n PHE 83 Ca 0.00 -0.42 0.09 0.00 1.01 0.00 0.00 57.45 58.13 1ps1 n PHE 83 Cb 0.00 -0.04 0.15 0.00 -0.01 0.00 0.00 39.48 39.59 1ps1 n PHE 83 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ps1 h ASP 84 N 0.25 0.00 -0.61 4.37 3.32 -1.16 -3.35 116.42 119.24 1ps1 h ASP 84 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ps1 h ASP 84 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ps1 h ASP 84 CO 0.00 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1ps1 n GLY 85 N 1.06 -1.32 0.21 2.75 0.00 -1.26 -4.87 105.19 101.77 1ps1 n GLY 85 Ca 0.03 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.50 1ps1 n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ps1 h PRO 86 N 0.00 0.10 0.00 1.61 0.11 -1.93 -2.82 132.00 129.08 1ps1 h PRO 86 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ps1 h PRO 86 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ps1 h PRO 86 CO 0.00 0.39 0.41 -0.09 -0.21 0.00 0.00 178.00 178.50 1ps1 h ARG 87 N 0.09 0.00 0.00 1.05 2.43 -1.89 -0.94 114.38 115.12 1ps1 h ARG 87 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ps1 h ARG 87 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ps1 h ARG 87 CO 0.04 0.00 -0.05 0.41 -1.51 0.00 0.00 179.97 178.86 1ps1 n GLY 88 N -1.26 -1.64 0.86 2.80 0.00 -1.06 -3.79 105.19 101.10 1ps1 n GLY 88 Ca -0.02 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1ps1 n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ps1 n GLU 89 N -2.08 2.95 -3.71 1.61 4.71 -0.36 -4.32 120.64 119.45 1ps1 n GLU 89 Ca 0.06 -2.70 -0.30 0.00 -0.01 0.00 0.00 57.16 54.21 1ps1 n GLU 89 Cb 0.41 -1.74 -0.15 0.00 -1.01 0.00 0.00 31.44 28.95 1ps1 n GLU 89 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1ps1 s ASN 90 N -1.74 3.96 0.52 1.62 3.84 -1.25 -4.80 114.94 117.08 1ps1 s ASN 90 Ca 0.39 -1.62 0.47 0.00 0.21 0.00 0.00 52.86 52.30 1ps1 s ASN 90 Cb 0.30 -0.80 1.61 0.00 -0.55 0.00 0.00 41.25 41.81 1ps1 s ASN 90 CO 0.10 -0.41 1.45 -2.65 -2.79 0.00 0.00 177.10 172.79 1ps1 n PRO 91 N 4.86 0.00 0.14 0.43 -0.02 -1.26 -0.57 135.00 138.57 1ps1 n PRO 91 Ca -0.02 1.01 0.07 0.00 -2.02 0.00 0.00 63.50 62.53 1ps1 n PRO 91 Cb 0.42 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1ps1 n PRO 91 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ps1 h GLU 92 N 0.00 0.00 0.02 -0.52 4.81 -1.94 -2.05 114.58 114.89 1ps1 h GLU 92 Ca 0.87 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.81 1ps1 h GLU 92 Cb 3.52 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 32.86 1ps1 h GLU 92 CO -0.01 0.22 -1.67 -0.44 -0.73 0.00 0.00 179.01 176.38 1ps1 h ASP 93 N 0.00 0.06 0.58 1.04 3.32 -1.11 -1.88 116.42 118.42 1ps1 h ASP 93 Ca -0.03 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1ps1 h ASP 93 Cb 1.23 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.77 1ps1 h ASP 93 CO 0.03 1.11 -0.28 0.74 -1.72 0.00 0.00 179.24 179.12 1ps1 h THR 94 N 0.01 0.00 -0.94 0.35 2.02 -1.58 -2.37 112.91 110.41 1ps1 h THR 94 Ca -0.27 -0.13 0.14 0.00 0.77 0.00 0.00 66.41 66.92 1ps1 h THR 94 Cb 2.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.31 1ps1 h THR 94 CO 0.09 0.00 0.55 0.50 0.37 0.00 0.00 175.52 177.03 1ps1 h LYS 95 N -0.91 0.78 -0.61 6.66 3.64 -1.50 0.67 116.57 125.30 1ps1 h LYS 95 Ca -0.08 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1ps1 h LYS 95 Cb 0.59 -0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.12 1ps1 h LYS 95 CO 0.13 0.52 -0.12 0.37 -2.27 0.00 0.00 179.45 178.08 1ps1 h GLN 96 N 0.81 0.02 0.09 1.90 5.75 -1.34 -1.13 115.11 121.21 1ps1 h GLN 96 Ca 0.50 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1ps1 h GLN 96 Cb 0.63 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1ps1 h GLN 96 CO -0.32 0.01 -0.04 1.25 -2.65 0.00 0.00 178.83 177.08 1ps1 h LEU 97 N 0.02 -0.10 -0.74 -2.39 5.85 0.75 -3.33 115.31 115.37 1ps1 h LEU 97 Ca 0.30 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1ps1 h LEU 97 Cb 0.47 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 1ps1 h LEU 97 CO -0.61 0.54 -0.39 0.41 -0.34 0.00 0.00 178.44 178.06 1ps1 n THR 98 N -4.83 -0.47 0.08 1.05 -1.04 0.38 -0.73 114.28 108.73 1ps1 n THR 98 Ca -0.07 1.77 0.09 0.00 -2.04 0.00 0.00 64.05 63.80 1ps1 n THR 98 Cb 0.28 -2.24 0.56 0.00 -1.82 0.00 0.00 70.33 67.10 1ps1 n THR 98 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1ps1 h ASP 99 N 0.00 0.21 0.70 8.00 3.32 -1.34 0.43 116.42 127.74 1ps1 h ASP 99 Ca 0.17 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 1ps1 h ASP 99 Cb 0.35 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1ps1 h ASP 99 CO -0.71 0.14 -0.79 1.56 -1.72 0.00 0.00 179.24 177.73 1ps1 h GLN 100 N 0.24 0.06 0.00 3.56 4.20 -1.03 -1.16 115.11 120.98 1ps1 h GLN 100 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1ps1 h GLN 100 Cb 0.22 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ps1 h GLN 100 CO -0.03 0.81 -0.06 0.28 -0.67 0.00 0.00 178.83 179.16 1ps1 h VAL 101 N 0.04 0.55 -0.09 -0.54 2.07 -0.41 -3.32 116.25 114.55 1ps1 h VAL 101 Ca -0.02 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.10 1ps1 h VAL 101 Cb 1.38 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1ps1 h VAL 101 CO 0.11 0.19 0.32 0.00 0.02 0.00 0.00 177.57 178.21 1ps1 h ALA 102 N -0.69 1.49 -0.02 1.67 0.00 -0.31 0.13 119.26 121.53 1ps1 h ALA 102 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ps1 h ALA 102 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ps1 h ALA 102 CO -0.01 -0.37 0.02 0.00 0.00 0.00 0.00 179.25 178.90 1ps1 h ALA 103 N 1.44 1.93 -0.00 0.00 0.00 -1.30 -1.61 119.26 119.71 1ps1 h ALA 103 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ps1 h ALA 103 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ps1 h ALA 103 CO -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1ps1 h ALA 104 N 1.99 1.50 0.00 0.00 0.00 -0.92 -1.43 119.26 120.40 1ps1 h ALA 104 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ps1 h ALA 104 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ps1 h ALA 104 CO -0.00 -0.01 -0.00 -0.07 0.00 0.00 0.00 179.25 179.17 1ps1 h LEU 105 N 0.00 0.00 0.00 0.00 3.38 -1.49 -3.21 115.31 113.99 1ps1 h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ps1 h LEU 105 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ps1 h LEU 105 CO -0.00 0.00 -0.91 0.47 0.09 0.00 0.00 178.44 178.10 1ps1 n ASP 106 N -3.09 0.85 0.00 -0.43 8.00 -0.54 -5.08 116.55 116.25 1ps1 n ASP 106 Ca -0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1ps1 n ASP 106 Cb 0.25 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 1ps1 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ps1 n GLY 107 N 1.43 -2.49 3.77 0.44 0.00 -1.21 -5.15 105.19 101.97 1ps1 n GLY 107 Ca 0.03 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1ps1 n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ps1 s PRO 108 N -1.99 3.80 0.05 1.61 0.04 -1.26 -4.41 135.00 132.85 1ps1 s PRO 108 Ca 0.00 2.50 -0.19 0.00 0.04 0.00 0.00 61.00 63.35 1ps1 s PRO 108 Cb 0.00 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.72 1ps1 s PRO 108 CO 0.00 -0.75 0.56 -0.51 0.04 0.00 0.00 177.00 176.34 1ps1 s LEU 109 N -2.53 4.50 0.31 -3.56 1.43 -1.26 -4.99 118.68 112.58 1ps1 s LEU 109 Ca 0.59 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.62 1ps1 s LEU 109 Cb -0.45 -2.88 -0.10 0.00 0.03 0.00 0.00 46.19 42.79 1ps1 s LEU 109 CO 0.59 0.24 1.33 -2.16 0.23 0.00 0.00 176.35 176.59 1ps1 s PRO 110 N -0.92 4.34 0.61 1.29 0.04 -1.26 -4.84 135.00 134.26 1ps1 s PRO 110 Ca 0.29 2.23 0.26 0.00 0.04 0.00 0.00 61.00 63.81 1ps1 s PRO 110 Cb -0.19 -3.08 1.16 0.00 0.04 0.00 0.00 34.50 32.42 1ps1 s PRO 110 CO 0.18 -0.24 1.60 -0.44 0.04 0.00 0.00 177.00 178.14 1ps1 h ASP 111 N 3.77 0.00 -0.03 6.66 3.32 -2.02 0.51 116.42 128.62 1ps1 h ASP 111 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1ps1 h ASP 111 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ps1 h ASP 111 CO 0.68 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.55 1ps1 n THR 112 N -3.32 0.06 -3.05 0.35 -2.24 -1.26 -4.84 114.28 99.98 1ps1 n THR 112 Ca 0.12 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.51 1ps1 n THR 112 Cb 0.99 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1ps1 n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ps1 s ALA 113 N -1.74 3.33 1.05 6.98 0.00 0.17 -5.03 121.76 126.51 1ps1 s ALA 113 Ca 0.02 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 1ps1 s ALA 113 Cb 0.01 -2.88 0.14 0.00 0.00 0.00 0.00 23.12 20.39 1ps1 s ALA 113 CO 0.01 0.29 0.57 -0.35 0.00 0.00 0.00 175.76 176.28 1ps1 n PRO 114 N 0.25 -1.22 0.15 0.00 -0.04 -1.26 -4.75 135.00 128.12 1ps1 n PRO 114 Ca 0.01 -0.32 -0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1ps1 n PRO 114 Cb 0.52 -1.98 0.20 0.00 -0.04 0.00 0.00 33.50 32.20 1ps1 n PRO 114 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1ps1 h PRO 115 N -2.04 0.00 0.00 0.54 0.11 -1.92 -2.49 132.00 126.20 1ps1 h PRO 115 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ps1 h PRO 115 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ps1 h PRO 115 CO 0.40 0.57 -0.02 0.97 -0.21 0.00 0.00 178.00 179.71 1ps1 h ILE 116 N 0.00 0.13 0.02 4.15 6.09 -1.91 0.27 117.51 126.27 1ps1 h ILE 116 Ca -0.01 -0.21 -0.31 0.00 -1.37 0.00 0.00 64.86 62.97 1ps1 h ILE 116 Cb 1.05 1.18 -0.04 0.00 0.47 0.00 0.00 36.82 39.47 1ps1 h ILE 116 CO 0.07 0.02 -1.77 0.00 -3.07 0.00 0.00 178.15 173.41 1ps1 n ALA 117 N -2.13 1.39 0.16 0.18 0.00 -0.96 -3.14 120.51 116.01 1ps1 n ALA 117 Ca -0.02 -0.74 0.02 0.00 0.00 0.00 0.00 53.44 52.70 1ps1 n ALA 117 Cb 0.15 -0.81 0.21 0.00 0.00 0.00 0.00 19.45 19.00 1ps1 n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ps1 h HIS 118 N 0.01 0.00 -0.16 0.00 3.86 -1.09 -2.42 115.15 115.36 1ps1 h HIS 118 Ca -0.31 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.83 1ps1 h HIS 118 Cb 2.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.49 1ps1 h HIS 118 CO 0.01 0.51 -0.15 0.78 0.86 0.00 0.00 177.93 179.94 1ps1 h GLY 119 N 2.35 0.42 0.88 2.45 0.00 -1.10 -1.90 103.07 106.17 1ps1 h GLY 119 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1ps1 h GLY 119 CO 0.07 0.38 0.32 -2.75 0.00 0.00 0.00 176.54 174.55 1ps1 h PHE 120 N 0.03 0.59 -0.84 5.60 3.57 -1.50 -2.01 116.94 122.39 1ps1 h PHE 120 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ps1 h PHE 120 Cb 0.67 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1ps1 h PHE 120 CO 0.08 0.34 0.51 0.00 -2.23 0.00 0.00 178.31 177.00 1ps1 h ALA 121 N 1.23 1.07 -0.92 2.41 0.00 -1.38 -0.59 119.26 121.09 1ps1 h ALA 121 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ps1 h ALA 121 Cb 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1ps1 h ALA 121 CO -0.10 0.54 0.61 0.22 0.00 0.00 0.00 179.25 180.52 1ps1 h ASP 122 N 1.16 1.03 0.47 0.00 3.58 -0.69 0.97 116.42 122.94 1ps1 h ASP 122 Ca 0.30 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 1ps1 h ASP 122 Cb -0.04 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1ps1 h ASP 122 CO -0.06 0.72 -0.23 0.40 -2.88 0.00 0.00 179.24 177.20 1ps1 h ILE 123 N 1.20 0.47 -0.84 2.25 2.04 -0.66 -2.86 117.51 119.11 1ps1 h ILE 123 Ca 0.35 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1ps1 h ILE 123 Cb -0.06 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1ps1 h ILE 123 CO -0.09 0.06 0.56 -0.25 0.00 0.00 0.00 178.15 178.42 1ps1 h TRP 124 N -0.86 1.05 -0.42 1.37 2.91 -0.93 0.27 115.95 119.33 1ps1 h TRP 124 Ca -0.06 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.05 1ps1 h TRP 124 Cb 0.58 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1ps1 h TRP 124 CO 0.00 0.65 0.29 -0.09 -1.03 0.00 0.00 178.44 178.26 1ps1 h ARG 125 N 1.12 0.28 0.00 2.65 2.43 -0.78 -1.17 114.38 118.91 1ps1 h ARG 125 Ca 0.31 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 59.22 1ps1 h ARG 125 Cb -0.10 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 1ps1 h ARG 125 CO -0.07 0.18 -1.54 0.00 -1.51 0.00 0.00 179.97 177.03 1ps1 h ARG 126 N 0.29 0.00 -0.73 0.20 3.08 -0.79 -3.21 114.38 113.21 1ps1 h ARG 126 Ca 0.19 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1ps1 h ARG 126 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1ps1 h ARG 126 CO -0.04 0.50 0.21 1.15 -1.07 0.00 0.00 179.97 180.72 1ps1 h THR 127 N 0.00 1.26 0.15 2.04 2.02 0.67 -3.32 112.91 115.73 1ps1 h THR 127 Ca -0.22 -0.94 -0.33 0.00 0.77 0.00 0.00 66.41 65.68 1ps1 h THR 127 Cb 1.88 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1ps1 h THR 127 CO 0.08 0.37 -1.70 0.00 0.37 0.00 0.00 175.52 174.63 1ps1 n GLU 129 N -3.50 0.83 0.00 0.00 4.07 -1.21 -1.22 120.64 119.60 1ps1 n GLU 129 Ca -0.22 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1ps1 n GLU 129 Cb 1.06 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1ps1 n GLU 129 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ps1 n GLY 130 N 4.58 1.01 4.01 8.31 0.00 -1.26 -5.02 105.19 116.82 1ps1 n GLY 130 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 1ps1 n GLY 130 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ps1 s MET 131 N -0.88 2.21 0.24 1.61 -1.94 -0.36 -5.09 119.30 115.09 1ps1 s MET 131 Ca 0.00 -1.37 -0.09 0.00 -1.71 0.00 0.00 55.69 52.52 1ps1 s MET 131 Cb 0.00 -2.56 -0.07 0.00 2.01 0.00 0.00 34.83 34.21 1ps1 s MET 131 CO 0.00 -0.95 0.56 0.95 -0.01 0.00 0.00 175.02 175.57 1ps1 s THR 132 N -2.77 4.94 0.31 2.05 -4.23 -1.26 -4.92 115.64 109.75 1ps1 s THR 132 Ca 0.62 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.61 1ps1 s THR 132 Cb -0.06 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.46 1ps1 s THR 132 CO 0.40 -0.12 1.65 -0.65 -0.54 0.00 0.00 174.62 175.36 1ps1 h PRO 133 N 2.40 0.23 -0.05 3.99 0.11 -1.98 0.92 132.00 137.62 1ps1 h PRO 133 Ca -0.47 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1ps1 h PRO 133 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ps1 h PRO 133 CO 0.69 0.15 -0.54 0.00 -0.21 0.00 0.00 178.00 178.09 1ps1 h ALA 134 N 1.81 1.01 -0.15 -0.75 0.00 -1.99 -0.09 119.26 119.10 1ps1 h ALA 134 Ca 0.61 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ps1 h ALA 134 Cb 1.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ps1 h ALA 134 CO -0.65 0.68 -0.18 2.35 0.00 0.00 0.00 179.25 181.45 1ps1 h TRP 135 N 0.10 0.48 -0.46 0.00 7.01 0.43 -2.50 115.95 121.02 1ps1 h TRP 135 Ca -0.00 -0.15 0.08 0.00 2.11 0.00 0.00 58.89 60.93 1ps1 h TRP 135 Cb 0.99 -0.10 -0.07 0.00 -2.10 0.00 0.00 29.16 27.88 1ps1 h TRP 135 CO 0.01 0.80 0.05 0.00 -2.79 0.00 0.00 178.44 176.51 1ps1 h ALA 137 N 1.38 1.39 -0.12 0.00 0.00 -0.97 -1.49 119.26 119.45 1ps1 h ALA 137 Ca 0.23 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1ps1 h ALA 137 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ps1 h ALA 137 CO -0.34 0.42 -0.52 -0.09 0.00 0.00 0.00 179.25 178.72 1ps1 h ARG 138 N 0.28 0.32 -0.18 0.00 2.43 -0.66 -2.62 114.38 113.95 1ps1 h ARG 138 Ca 0.05 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1ps1 h ARG 138 Cb 0.46 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ps1 h ARG 138 CO 0.03 0.77 -0.11 0.77 -1.51 0.00 0.00 179.97 179.91 1ps1 h SER 139 N 0.25 0.42 -0.99 -3.80 0.02 -0.13 -2.94 113.55 106.37 1ps1 h SER 139 Ca 0.01 -0.43 0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1ps1 h SER 139 Cb 1.00 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.35 1ps1 h SER 139 CO 0.09 0.76 0.63 0.00 -1.14 0.00 0.00 176.83 177.17 1ps1 h ALA 140 N 0.67 1.50 -0.97 3.77 0.00 -1.29 0.18 119.26 123.12 1ps1 h ALA 140 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ps1 h ALA 140 Cb 0.61 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1ps1 h ALA 140 CO 0.03 0.30 0.64 -0.09 0.00 0.00 0.00 179.25 180.13 1ps1 h ARG 141 N 1.05 1.28 -0.36 0.00 2.43 -1.42 -1.16 114.38 116.20 1ps1 h ARG 141 Ca 0.47 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.46 1ps1 h ARG 141 Cb 0.37 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ps1 h ARG 141 CO -0.22 0.84 -0.17 0.45 -1.51 0.00 0.00 179.97 179.36 1ps1 h HIS 142 N 1.32 0.87 0.04 2.20 3.86 -0.51 -2.85 115.15 120.07 1ps1 h HIS 142 Ca 0.36 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1ps1 h HIS 142 Cb -0.15 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.12 1ps1 h HIS 142 CO -0.00 0.94 -0.02 -1.49 0.86 0.00 0.00 177.93 178.22 1ps1 h TRP 143 N 0.54 -0.05 -0.48 2.45 -0.00 -1.02 -2.38 115.95 115.01 1ps1 h TRP 143 Ca 0.08 -0.00 0.11 0.00 -0.00 0.00 0.00 58.89 59.08 1ps1 h TRP 143 Cb 0.71 0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.87 1ps1 h TRP 143 CO 0.06 -0.01 0.34 0.00 -0.00 0.00 0.00 178.44 178.83 1ps1 h ARG 144 N -0.08 0.15 0.00 0.49 3.08 -1.05 0.49 114.38 117.46 1ps1 h ARG 144 Ca -0.01 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1ps1 h ARG 144 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1ps1 h ARG 144 CO 0.01 0.10 -0.69 -0.91 -1.07 0.00 0.00 179.97 177.41 1ps1 h ASN 145 N 0.16 0.00 0.46 7.04 4.21 -1.32 -1.28 115.58 124.84 1ps1 h ASN 145 Ca 0.23 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 1ps1 h ASN 145 Cb 0.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1ps1 h ASN 145 CO -0.03 0.69 -0.22 0.22 -1.29 0.00 0.00 177.43 176.80 1ps1 h TYR 146 N 0.00 -0.57 0.00 1.19 3.20 -0.43 -0.46 116.97 119.90 1ps1 h TYR 146 Ca -0.01 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1ps1 h TYR 146 Cb 1.46 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.89 1ps1 h TYR 146 CO 0.00 -0.35 -0.13 0.74 -1.64 0.00 0.00 178.16 176.78 1ps1 h PHE 147 N -0.62 -0.34 0.00 -3.82 0.04 -1.14 0.15 116.94 111.21 1ps1 h PHE 147 Ca -0.06 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ps1 h PHE 147 Cb 0.47 0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1ps1 h PHE 147 CO -0.04 -0.20 0.00 -0.44 -0.60 0.00 0.00 178.31 177.03 1ps1 h ASP 148 N -0.23 0.00 -0.50 2.17 3.32 -1.23 0.09 116.42 120.05 1ps1 h ASP 148 Ca 0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1ps1 h ASP 148 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1ps1 h ASP 148 CO -0.13 0.00 -0.07 1.23 -1.72 0.00 0.00 179.24 178.55 1ps1 h GLY 149 N 0.43 1.00 0.98 2.75 0.00 0.10 -1.54 103.07 106.80 1ps1 h GLY 149 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 1ps1 h GLY 149 CO 0.00 0.73 0.18 -0.97 0.00 0.00 0.00 176.54 176.48 1ps1 h TYR 150 N 0.78 0.85 -0.17 5.60 -1.99 -0.70 -2.51 116.97 118.84 1ps1 h TYR 150 Ca 0.13 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1ps1 h TYR 150 Cb 0.62 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1ps1 h TYR 150 CO 0.05 0.72 0.09 0.28 -0.00 0.00 0.00 178.16 179.29 1ps1 h VAL 151 N 0.74 1.12 0.00 -2.88 2.07 -1.30 -1.48 116.25 114.51 1ps1 h VAL 151 Ca 0.17 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1ps1 h VAL 151 Cb 0.26 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ps1 h VAL 151 CO -0.01 0.11 0.00 0.47 0.02 0.00 0.00 177.57 178.16 1ps1 n ASP 152 N -4.90 0.08 -0.02 0.57 9.92 -0.60 -2.25 116.55 119.35 1ps1 n ASP 152 Ca -0.04 0.52 -0.21 0.00 -0.53 0.00 0.00 54.79 54.53 1ps1 n ASP 152 Cb 0.09 -0.54 -0.13 0.00 -0.64 0.00 0.00 41.12 39.89 1ps1 n ASP 152 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ps1 h GLU 153 N 0.00 0.19 -0.04 -1.24 4.81 -0.85 -3.34 114.58 114.11 1ps1 h GLU 153 Ca 0.00 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1ps1 h GLU 153 Cb 0.18 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ps1 h GLU 153 CO 0.00 1.16 0.04 0.00 -0.73 0.00 0.00 179.01 179.48 1ps1 h ALA 154 N -0.12 1.66 -0.80 2.92 0.00 -0.86 -1.79 119.26 120.27 1ps1 h ALA 154 Ca -0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1ps1 h ALA 154 Cb 1.72 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1ps1 h ALA 154 CO 0.00 -0.07 0.40 1.49 0.00 0.00 0.00 179.25 181.08 1ps1 h GLU 155 N 0.00 1.13 0.00 0.00 4.57 -1.63 -3.24 114.58 115.40 1ps1 h GLU 155 Ca 0.02 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1ps1 h GLU 155 Cb 0.11 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1ps1 h GLU 155 CO -0.00 0.85 0.00 0.43 -1.18 0.00 0.00 179.01 179.12 1ps1 n SER 156 N -4.33 0.00 0.00 1.04 7.64 -0.67 -4.99 113.62 112.31 1ps1 n SER 156 Ca 0.08 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ps1 n SER 156 Cb 0.12 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1ps1 n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ps1 n ARG 157 N -1.05 0.00 -1.49 1.43 3.00 -1.22 -5.18 116.66 112.14 1ps1 n ARG 157 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 1ps1 n ARG 157 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ps1 n ARG 157 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ps1 n SER 165 N 1.53 -2.31 0.09 0.55 2.88 -1.26 -4.64 113.62 110.46 1ps1 n SER 165 Ca 0.00 0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1ps1 n SER 165 Cb 0.00 -1.67 -0.08 0.00 -0.75 0.00 0.00 64.21 61.71 1ps1 n SER 165 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ps1 h ALA 166 N 0.66 -0.28 -0.02 -1.46 0.00 -1.99 -1.63 119.26 114.54 1ps1 h ALA 166 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ps1 h ALA 166 Cb 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ps1 h ALA 166 CO 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 179.25 178.92 1ps1 h ALA 167 N -0.18 1.24 0.13 0.00 0.00 -2.02 0.35 119.26 118.78 1ps1 h ALA 167 Ca -0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1ps1 h ALA 167 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ps1 h ALA 167 CO 0.05 -0.09 -1.73 0.37 0.00 0.00 0.00 179.25 177.85 1ps1 h GLN 168 N 0.00 0.27 0.17 0.00 4.15 -1.99 -3.20 115.11 114.51 1ps1 h GLN 168 Ca 0.01 -0.46 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 1ps1 h GLN 168 Cb 0.16 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1ps1 h GLN 168 CO -0.00 1.13 -0.08 -0.92 -1.93 0.00 0.00 178.83 177.03 1ps1 h TYR 169 N 0.07 -0.21 -1.01 3.99 3.20 0.00 -2.78 116.97 120.24 1ps1 h TYR 169 Ca -0.32 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.61 1ps1 h TYR 169 Cb 2.05 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 40.32 1ps1 h TYR 169 CO 0.07 0.00 0.65 -0.07 -1.64 0.00 0.00 178.16 177.18 1ps1 h LEU 170 N -0.40 1.03 -0.26 2.82 3.38 -1.23 -1.25 115.31 119.40 1ps1 h LEU 170 Ca -0.02 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1ps1 h LEU 170 Cb 0.31 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1ps1 h LEU 170 CO 0.04 0.65 -0.35 0.00 0.09 0.00 0.00 178.44 178.87 1ps1 h ALA 171 N 1.46 -0.34 -0.04 1.53 0.00 -1.49 -1.84 119.26 118.55 1ps1 h ALA 171 Ca 0.44 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 1ps1 h ALA 171 Cb 0.19 0.70 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ps1 h ALA 171 CO -0.18 -0.80 -0.89 0.52 0.00 0.00 0.00 179.25 177.90 1ps1 h MET 172 N -0.35 0.52 -0.24 0.00 2.86 -1.25 -3.32 114.93 113.14 1ps1 h MET 172 Ca 0.13 -0.50 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1ps1 h MET 172 Cb 0.56 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1ps1 h MET 172 CO -0.45 1.14 0.12 0.00 1.06 0.00 0.00 176.91 178.77 1ps1 h ARG 173 N 0.31 0.32 0.00 1.72 2.47 -0.95 -3.07 114.38 115.19 1ps1 h ARG 173 Ca -0.07 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1ps1 h ARG 173 Cb 1.51 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1ps1 h ARG 173 CO 0.16 0.25 0.12 0.00 0.56 0.00 0.00 179.97 181.06 1ps1 h ARG 174 N 0.33 0.00 0.04 0.04 3.08 -1.44 -2.69 114.38 113.73 1ps1 h ARG 174 Ca 0.09 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.76 1ps1 h ARG 174 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1ps1 h ARG 174 CO -0.01 0.00 -2.18 0.72 -1.07 0.00 0.00 179.97 177.42 1ps1 n HIS 175 N -2.93 0.54 0.25 3.04 8.25 -1.16 -4.52 115.22 118.70 1ps1 n HIS 175 Ca -0.02 0.14 0.14 0.00 -0.26 0.00 0.00 57.72 57.72 1ps1 n HIS 175 Cb 0.18 -1.07 0.53 0.00 1.12 0.00 0.00 29.99 30.75 1ps1 n HIS 175 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ps1 h THR 176 N -0.26 0.18 0.00 1.59 1.35 -1.65 -3.27 112.91 110.86 1ps1 h THR 176 Ca -0.52 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 64.51 1ps1 h THR 176 Cb 1.83 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1ps1 h THR 176 CO -0.10 0.08 -0.16 -0.29 -0.25 0.00 0.00 175.52 174.80 1ps1 h ILE 177 N 0.00 0.85 0.00 6.82 6.09 -1.71 -3.47 117.51 126.08 1ps1 h ILE 177 Ca -0.00 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1ps1 h ILE 177 Cb 0.67 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1ps1 h ILE 177 CO 0.01 0.16 0.00 0.61 -3.07 0.00 0.00 178.15 175.86 1ps1 n GLY 178 N -0.83 0.74 0.29 8.18 0.00 -1.23 -4.98 105.19 107.36 1ps1 n GLY 178 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1ps1 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ps1 h VAL 179 N 0.00 0.45 -0.06 1.61 2.07 -1.87 -2.40 116.25 116.04 1ps1 h VAL 179 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1ps1 h VAL 179 Cb 0.00 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1ps1 h VAL 179 CO 0.00 0.00 -0.14 -0.61 0.02 0.00 0.00 177.57 176.84 1ps1 h GLN 180 N -0.56 -0.20 0.00 1.57 5.75 -1.94 0.54 115.11 120.28 1ps1 h GLN 180 Ca -0.01 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ps1 h GLN 180 Cb 0.51 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1ps1 h GLN 180 CO -0.05 -0.13 0.00 -1.35 -2.65 0.00 0.00 178.83 174.65 1ps1 h PRO 181 N -0.20 0.00 0.44 -2.39 0.11 -1.88 0.11 132.00 128.20 1ps1 h PRO 181 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1ps1 h PRO 181 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1ps1 h PRO 181 CO -0.18 0.00 -0.21 1.15 -0.21 0.00 0.00 178.00 178.54 1ps1 h THR 182 N 0.00 0.26 -0.90 -1.15 2.02 0.43 -2.40 112.91 111.17 1ps1 h THR 182 Ca 0.00 -0.58 0.12 0.00 0.77 0.00 0.00 66.41 66.72 1ps1 h THR 182 Cb 0.20 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 66.92 1ps1 h THR 182 CO 0.00 0.05 0.53 0.58 0.37 0.00 0.00 175.52 177.05 1ps1 h VAL 183 N -1.06 0.85 -0.88 3.16 2.07 -0.38 0.05 116.25 120.06 1ps1 h VAL 183 Ca -0.06 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1ps1 h VAL 183 Cb 0.54 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1ps1 h VAL 183 CO 0.10 0.15 0.57 0.44 0.02 0.00 0.00 177.57 178.85 1ps1 h ASP 184 N 0.81 0.83 0.27 0.57 3.32 -0.61 0.13 116.42 121.75 1ps1 h ASP 184 Ca 0.46 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.49 1ps1 h ASP 184 Cb 0.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1ps1 h ASP 184 CO -0.29 0.51 -0.19 0.25 -1.72 0.00 0.00 179.24 177.80 1ps1 h LEU 185 N 0.93 0.00 -1.15 1.55 7.12 -0.46 -2.23 115.31 121.06 1ps1 h LEU 185 Ca 0.40 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.42 1ps1 h LEU 185 Cb 0.32 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 1ps1 h LEU 185 CO -0.16 0.19 0.57 0.00 -0.13 0.00 0.00 178.44 178.91 1ps1 h ALA 186 N 1.81 1.39 0.65 1.25 0.00 -0.61 0.25 119.26 124.00 1ps1 h ALA 186 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ps1 h ALA 186 Cb 0.37 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ps1 h ALA 186 CO 0.02 0.56 -0.31 0.93 0.00 0.00 0.00 179.25 180.46 1ps1 h GLU 187 N 1.16 -0.84 -0.62 0.00 5.08 -1.38 -0.10 114.58 117.88 1ps1 h GLU 187 Ca 0.32 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.85 1ps1 h GLU 187 Cb -0.12 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 1ps1 h GLU 187 CO -0.07 -0.52 0.14 -0.09 -1.00 0.00 0.00 179.01 177.47 1ps1 h ARG 188 N -1.01 0.27 -0.54 2.33 9.65 -1.16 0.67 114.38 124.59 1ps1 h ARG 188 Ca -0.09 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1ps1 h ARG 188 Cb 0.70 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1ps1 h ARG 188 CO 0.15 0.18 0.14 0.00 2.80 0.00 0.00 179.97 183.23 1ps1 h ALA 189 N 1.49 0.71 0.00 2.80 0.00 -0.54 -2.14 119.26 121.57 1ps1 h ALA 189 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ps1 h ALA 189 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ps1 h ALA 189 CO -0.41 0.40 0.00 0.78 0.00 0.00 0.00 179.25 180.02 1ps1 h GLY 190 N 0.75 0.00 -4.69 0.00 0.00 0.12 -3.45 103.07 95.80 1ps1 h GLY 190 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.23 1ps1 h GLY 190 CO 0.00 0.00 -0.55 0.54 0.00 0.00 0.00 176.54 176.53 1ps1 n ARG 191 N -3.07 -5.45 -4.05 4.80 1.74 0.22 -5.04 116.66 105.81 1ps1 n ARG 191 Ca 0.02 0.63 -0.10 0.00 -0.77 0.00 0.00 57.85 57.63 1ps1 n ARG 191 Cb 0.37 -5.04 -0.07 0.00 -1.02 0.00 0.00 32.46 26.70 1ps1 n ARG 191 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1ps1 s PHE 192 N -3.26 0.61 -0.10 -1.55 -0.12 -1.08 -5.04 117.98 107.44 1ps1 s PHE 192 Ca 0.20 -0.93 -0.04 0.00 -0.05 0.00 0.00 56.93 56.11 1ps1 s PHE 192 Cb -0.09 -0.12 0.05 0.00 -0.63 0.00 0.00 43.02 42.23 1ps1 s PHE 192 CO 0.55 -0.79 0.20 -1.21 -0.05 0.00 0.00 175.22 173.91 1ps1 s GLU 193 N -4.04 0.08 0.54 1.99 2.02 -1.26 -4.39 118.70 113.63 1ps1 s GLU 193 Ca 0.25 0.61 -0.21 0.00 0.02 0.00 0.00 54.97 55.65 1ps1 s GLU 193 Cb 0.03 -0.18 -0.07 0.00 0.10 0.00 0.00 34.13 34.01 1ps1 s GLU 193 CO 0.07 -0.29 1.05 1.55 0.02 0.00 0.00 175.26 177.66 1ps1 n VAL 194 N 5.23 3.31 -1.70 2.63 3.14 -1.26 -4.84 118.33 124.84 1ps1 n VAL 194 Ca -0.07 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.38 1ps1 n VAL 194 Cb 0.50 -1.26 -0.03 0.00 -1.06 0.00 0.00 33.84 31.99 1ps1 n VAL 194 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1ps1 n PRO 195 N -0.64 2.62 -0.28 1.45 -0.02 -1.26 -4.85 135.00 132.02 1ps1 n PRO 195 Ca 0.12 0.95 0.14 0.00 -2.02 0.00 0.00 63.50 62.69 1ps1 n PRO 195 Cb 0.44 -2.80 0.40 0.00 -0.02 0.00 0.00 33.50 31.53 1ps1 n PRO 195 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ps1 h HIS 196 N 7.30 0.79 0.00 6.00 3.86 -2.00 0.11 115.15 131.21 1ps1 h HIS 196 Ca -0.45 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 58.72 1ps1 h HIS 196 Cb 1.22 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1ps1 h HIS 196 CO 0.70 0.25 -0.31 0.07 0.86 0.00 0.00 177.93 179.49 1ps1 h ARG 197 N 0.63 0.00 0.03 2.45 0.11 -2.00 -2.40 114.38 113.21 1ps1 h ARG 197 Ca 0.48 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.28 1ps1 h ARG 197 Cb 0.88 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.93 1ps1 h ARG 197 CO -0.23 0.31 -1.54 0.28 0.10 0.00 0.00 179.97 178.89 1ps1 h VAL 198 N 0.00 1.08 -0.72 0.08 2.07 -1.42 -3.27 116.25 114.07 1ps1 h VAL 198 Ca -0.00 -2.85 0.06 0.00 0.82 0.00 0.00 66.70 64.73 1ps1 h VAL 198 Cb 0.68 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 1ps1 h VAL 198 CO 0.04 0.69 0.41 0.15 0.02 0.00 0.00 177.57 178.89 1ps1 h PHE 199 N 0.02 0.75 0.00 1.57 3.57 -0.71 -1.89 116.94 120.26 1ps1 h PHE 199 Ca -0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1ps1 h PHE 199 Cb 1.96 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.47 1ps1 h PHE 199 CO 0.02 0.36 0.00 -0.25 -2.23 0.00 0.00 178.31 176.21 1ps1 n ASP 200 N -4.75 0.00 -4.77 0.41 8.00 -0.94 -4.31 116.55 110.19 1ps1 n ASP 200 Ca 0.10 -0.12 -0.39 0.00 0.71 0.00 0.00 54.79 55.09 1ps1 n ASP 200 Cb 0.19 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1ps1 n ASP 200 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ps1 s SER 201 N -2.45 6.32 0.38 -2.24 1.04 -0.71 -4.88 113.70 111.16 1ps1 s SER 201 Ca 0.20 2.63 0.11 0.00 0.48 0.00 0.00 55.95 59.37 1ps1 s SER 201 Cb 0.13 -2.64 0.89 0.00 0.10 0.00 0.00 66.02 64.50 1ps1 s SER 201 CO 0.27 -0.84 1.90 0.00 0.98 0.00 0.00 173.24 175.55 1ps1 h ALA 202 N 2.66 1.92 0.16 5.32 0.00 -1.90 -1.40 119.26 126.02 1ps1 h ALA 202 Ca -0.50 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1ps1 h ALA 202 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ps1 h ALA 202 CO 0.62 -0.13 -0.08 0.28 0.00 0.00 0.00 179.25 179.95 1ps1 h VAL 203 N 0.60 0.97 -0.66 0.00 2.07 -1.92 -2.47 116.25 114.84 1ps1 h VAL 203 Ca 0.40 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1ps1 h VAL 203 Cb 0.70 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1ps1 h VAL 203 CO -0.16 0.18 0.22 -0.03 0.02 0.00 0.00 177.57 177.80 1ps1 h MET 204 N -0.62 1.02 0.00 1.57 -1.53 -1.68 -0.85 114.93 112.85 1ps1 h MET 204 Ca -0.02 -0.21 -0.02 0.00 -3.44 0.00 0.00 59.70 56.01 1ps1 h MET 204 Cb 0.46 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.36 1ps1 h MET 204 CO 0.04 0.88 -0.08 0.66 0.14 0.00 0.00 176.91 178.55 1ps1 h SER 205 N 0.96 0.00 0.36 1.39 4.64 -1.35 0.21 113.55 119.76 1ps1 h SER 205 Ca 0.22 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.31 1ps1 h SER 205 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ps1 h SER 205 CO -0.01 0.08 -0.95 0.00 -0.87 0.00 0.00 176.83 175.08 1ps1 h ALA 206 N 1.92 0.36 -0.30 5.18 0.00 -0.70 -0.38 119.26 125.33 1ps1 h ALA 206 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 1ps1 h ALA 206 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ps1 h ALA 206 CO 0.01 0.83 -0.37 0.52 0.00 0.00 0.00 179.25 180.24 1ps1 h MET 207 N 0.22 0.69 -0.56 0.00 2.86 -0.01 -2.49 114.93 115.64 1ps1 h MET 207 Ca -0.08 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.14 1ps1 h MET 207 Cb 1.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 1ps1 h MET 207 CO 0.16 0.95 0.04 -0.07 1.06 0.00 0.00 176.91 179.05 1ps1 h LEU 208 N 0.58 0.93 -1.83 1.22 3.38 -0.45 -2.39 115.31 116.73 1ps1 h LEU 208 Ca 0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1ps1 h LEU 208 Cb 0.89 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ps1 h LEU 208 CO 0.08 0.99 -0.14 -0.61 0.09 0.00 0.00 178.44 178.84 1ps1 h GLN 209 N 0.84 0.00 -0.04 1.13 4.15 -0.91 -1.83 115.11 118.46 1ps1 h GLN 209 Ca 0.16 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.36 1ps1 h GLN 209 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1ps1 h GLN 209 CO 0.02 0.14 -0.87 0.82 -1.93 0.00 0.00 178.83 177.01 1ps1 h ILE 210 N 0.00 1.37 -0.54 2.39 2.04 -0.99 -2.39 117.51 119.39 1ps1 h ILE 210 Ca -0.00 -2.29 -0.02 0.00 1.00 0.00 0.00 64.86 63.55 1ps1 h ILE 210 Cb 0.30 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1ps1 h ILE 210 CO 0.02 0.69 0.24 0.00 0.00 0.00 0.00 178.15 179.10 1ps1 h ALA 211 N 0.74 0.69 0.82 1.87 0.00 -0.88 -0.99 119.26 121.51 1ps1 h ALA 211 Ca -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ps1 h ALA 211 Cb 1.49 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1ps1 h ALA 211 CO 0.16 0.27 -0.39 0.28 0.00 0.00 0.00 179.25 179.57 1ps1 h VAL 212 N 0.72 0.09 -0.59 0.00 2.07 -1.42 -2.46 116.25 114.66 1ps1 h VAL 212 Ca 0.18 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1ps1 h VAL 212 Cb 0.15 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 29.93 1ps1 h VAL 212 CO -0.02 0.01 0.01 0.44 0.02 0.00 0.00 177.57 178.03 1ps1 h ASP 213 N -1.22 -0.23 -0.78 0.57 3.32 -1.35 -1.31 116.42 115.42 1ps1 h ASP 213 Ca -0.11 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1ps1 h ASP 213 Cb 0.85 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1ps1 h ASP 213 CO 0.18 -0.09 0.32 0.58 -1.72 0.00 0.00 179.24 178.51 1ps1 h VAL 214 N 0.13 1.26 -0.69 -1.35 2.07 -1.25 -2.14 116.25 114.29 1ps1 h VAL 214 Ca 0.31 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1ps1 h VAL 214 Cb 0.48 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1ps1 h VAL 214 CO -0.49 0.33 0.29 0.78 0.02 0.00 0.00 177.57 178.50 1ps1 h ASN 215 N 1.14 0.93 1.93 0.57 2.35 -0.75 -1.15 115.58 120.60 1ps1 h ASN 215 Ca 0.26 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ps1 h ASN 215 Cb 0.21 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ps1 h ASN 215 CO -0.02 0.84 -0.01 0.17 -1.65 0.00 0.00 177.43 176.76 1ps1 h LEU 216 N 0.97 0.00 0.10 1.61 8.10 -1.32 -1.13 115.31 123.65 1ps1 h LEU 216 Ca 0.23 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.93 1ps1 h LEU 216 Cb 0.19 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.43 1ps1 h LEU 216 CO -0.02 0.01 -1.24 -0.07 -4.11 0.00 0.00 178.44 173.00 1ps1 h LEU 217 N 0.00 0.81 0.18 0.17 3.38 -1.10 -0.88 115.31 117.87 1ps1 h LEU 217 Ca -0.00 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 1ps1 h LEU 217 Cb 0.97 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ps1 h LEU 217 CO 0.00 1.57 -0.09 -0.07 0.09 0.00 0.00 178.44 179.94 1ps1 h LEU 218 N 0.25 -0.20 0.01 1.67 4.07 -1.17 -2.11 115.31 117.82 1ps1 h LEU 218 Ca -0.18 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 57.66 1ps1 h LEU 218 Cb 1.91 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 43.65 1ps1 h LEU 218 CO 0.23 0.03 -0.38 -1.13 -1.08 0.00 0.00 178.44 176.12 1ps1 h ASN 219 N -0.44 -1.13 -0.08 -0.43 -1.24 -1.28 -1.14 115.58 109.83 1ps1 h ASN 219 Ca -0.02 0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.15 1ps1 h ASN 219 Cb 0.34 0.45 -0.00 0.00 0.73 0.00 0.00 38.32 39.84 1ps1 h ASN 219 CO 0.04 -0.43 0.07 0.44 -1.29 0.00 0.00 177.43 176.26 1ps1 h ASP 220 N -0.54 0.00 0.02 1.15 5.19 -1.12 -2.53 116.42 118.59 1ps1 h ASP 220 Ca 0.05 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 1ps1 h ASP 220 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1ps1 h ASP 220 CO -0.29 0.00 -0.19 0.40 -3.12 0.00 0.00 179.24 176.04 1ps1 h ILE 221 N 0.00 1.65 -0.69 0.35 2.04 -0.92 -3.25 117.51 116.69 1ps1 h ILE 221 Ca 0.04 -2.14 0.10 0.00 1.00 0.00 0.00 64.86 63.86 1ps1 h ILE 221 Cb 0.17 3.07 -0.08 0.00 -0.74 0.00 0.00 36.82 39.24 1ps1 h ILE 221 CO -0.00 0.57 0.31 0.00 0.00 0.00 0.00 178.15 179.03 1ps1 h ALA 222 N 0.14 0.94 -0.52 1.87 0.00 -0.94 -2.18 119.26 118.58 1ps1 h ALA 222 Ca -0.03 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ps1 h ALA 222 Cb 1.05 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1ps1 h ALA 222 CO 0.04 -0.12 0.16 -1.13 0.00 0.00 0.00 179.25 178.20 1ps1 n SER 223 N -4.92 4.15 -0.05 0.00 3.41 -0.98 -3.14 113.62 112.09 1ps1 n SER 223 Ca 0.11 -2.84 -0.08 0.00 -0.26 0.00 0.00 58.87 55.81 1ps1 n SER 223 Cb 0.30 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 1ps1 n SER 223 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ps1 h LEU 224 N 2.27 -0.32 -1.35 1.04 5.85 -1.42 -2.88 115.31 118.51 1ps1 h LEU 224 Ca 0.15 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1ps1 h LEU 224 Cb 1.84 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 43.05 1ps1 h LEU 224 CO 0.51 -0.12 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.10 1ps1 h GLU 225 N -0.05 0.00 0.00 1.25 3.07 -1.85 -3.04 114.58 113.96 1ps1 h GLU 225 Ca 0.12 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1ps1 h GLU 225 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1ps1 h GLU 225 CO -0.27 0.06 -0.00 -0.22 -1.40 0.00 0.00 179.01 177.18 1ps1 h LYS 226 N 0.00 -0.00 0.00 2.33 3.64 -1.86 -3.21 116.57 117.47 1ps1 h LYS 226 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ps1 h LYS 226 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1ps1 h LYS 226 CO 0.01 0.82 0.00 0.93 -2.27 0.00 0.00 179.45 178.93 1ps1 h GLU 227 N -1.00 0.00 0.08 1.90 5.08 -1.62 -3.15 114.58 115.87 1ps1 h GLU 227 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ps1 h GLU 227 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ps1 h GLU 227 CO 0.00 0.00 -0.04 1.49 -1.00 0.00 0.00 179.01 179.46 1ps1 h GLU 228 N 0.00 -0.10 0.00 2.33 4.81 -1.66 -2.18 114.58 117.78 1ps1 h GLU 228 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ps1 h GLU 228 Cb 0.50 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ps1 h GLU 228 CO 0.00 0.40 0.13 0.00 -0.73 0.00 0.00 179.01 178.81 1ps1 h ALA 229 N 0.17 1.13 -0.47 2.92 0.00 -1.54 -1.01 119.26 120.46 1ps1 h ALA 229 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ps1 h ALA 229 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ps1 h ALA 229 CO 0.02 -0.13 0.00 2.89 0.00 0.00 0.00 179.25 182.03 1ps1 n ARG 230 N -2.93 2.51 -0.92 0.00 1.85 -1.21 -5.00 116.66 110.97 1ps1 n ARG 230 Ca -0.02 -2.27 0.00 0.00 -1.00 0.00 0.00 57.85 54.55 1ps1 n ARG 230 Cb 0.19 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 1ps1 n ARG 230 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ps1 n GLY 231 N 1.25 0.88 3.68 2.89 0.00 -0.38 -5.02 105.19 108.48 1ps1 n GLY 231 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ps1 n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ps1 s GLU 232 N -0.08 4.15 0.00 1.61 2.02 -0.82 -4.90 118.70 120.67 1ps1 s GLU 232 Ca 0.00 2.54 0.21 0.00 0.02 0.00 0.00 54.97 57.74 1ps1 s GLU 232 Cb 0.00 -3.73 0.29 0.00 0.10 0.00 0.00 34.13 30.79 1ps1 s GLU 232 CO 0.00 -0.85 1.26 0.00 0.02 0.00 0.00 175.26 175.69 1ps1 n GLN 233 N 6.12 2.17 -2.11 1.61 10.64 -1.26 -4.49 117.38 130.07 1ps1 n GLN 233 Ca 0.18 -1.99 -0.39 0.00 -1.83 0.00 0.00 57.00 52.96 1ps1 n GLN 233 Cb 0.39 -1.43 0.02 0.00 -0.86 0.00 0.00 30.24 28.36 1ps1 n GLN 233 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1ps1 n ASN 234 N 1.25 7.43 -4.09 2.61 2.04 -1.26 -4.21 115.26 119.03 1ps1 n ASN 234 Ca 0.15 -3.72 -0.23 0.00 -0.44 0.00 0.00 54.58 50.34 1ps1 n ASN 234 Cb 0.54 -1.12 -0.15 0.00 -2.53 0.00 0.00 39.78 36.51 1ps1 n ASN 234 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1ps1 s ASN 235 N -0.99 1.67 0.32 0.53 3.84 -1.26 -5.03 114.94 114.00 1ps1 s ASN 235 Ca 0.49 -0.26 0.09 0.00 0.21 0.00 0.00 52.86 53.38 1ps1 s ASN 235 Cb 0.35 -0.33 0.92 0.00 -0.55 0.00 0.00 41.25 41.64 1ps1 s ASN 235 CO -0.31 0.14 1.65 -0.03 -2.79 0.00 0.00 177.10 175.77 1ps1 h MET 236 N 6.07 0.26 0.31 0.43 1.85 -1.90 0.46 114.93 122.41 1ps1 h MET 236 Ca -0.34 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.72 1ps1 h MET 236 Cb 1.17 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1ps1 h MET 236 CO 0.49 0.17 -0.15 0.28 -0.40 0.00 0.00 176.91 177.30 1ps1 h VAL 237 N 0.27 0.72 -0.71 -5.77 2.07 -1.91 0.00 116.25 110.93 1ps1 h VAL 237 Ca 0.65 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.98 1ps1 h VAL 237 Cb 1.42 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 1ps1 h VAL 237 CO -0.64 0.05 0.44 0.24 0.02 0.00 0.00 177.57 177.68 1ps1 h MET 238 N -0.53 0.81 -0.27 1.57 2.86 -1.45 -2.14 114.93 115.79 1ps1 h MET 238 Ca -0.04 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1ps1 h MET 238 Cb 0.39 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1ps1 h MET 238 CO 0.07 0.54 -0.34 0.82 1.06 0.00 0.00 176.91 179.06 1ps1 h ILE 239 N 0.84 1.29 0.00 -1.22 2.04 -0.90 -2.92 117.51 116.64 1ps1 h ILE 239 Ca 0.30 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1ps1 h ILE 239 Cb 0.07 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1ps1 h ILE 239 CO -0.13 0.47 -0.22 -0.07 0.00 0.00 0.00 178.15 178.19 1ps1 h LEU 240 N 0.49 0.00 0.00 1.44 3.38 -0.34 -0.87 115.31 119.41 1ps1 h LEU 240 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1ps1 h LEU 240 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1ps1 h LEU 240 CO 0.07 0.22 -0.94 0.03 0.09 0.00 0.00 178.44 177.91 1ps1 h ARG 241 N 0.00 0.00 0.10 1.13 3.08 -1.37 -3.02 114.38 114.30 1ps1 h ARG 241 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ps1 h ARG 241 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1ps1 h ARG 241 CO 0.03 0.78 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.58 1ps1 h ARG 242 N 0.00 -0.13 -0.34 0.04 2.43 -1.22 0.34 114.38 115.51 1ps1 h ARG 242 Ca -0.04 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1ps1 h ARG 242 Cb 1.67 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 31.18 1ps1 h ARG 242 CO 0.10 -0.09 -0.18 1.49 -1.51 0.00 0.00 179.97 179.79 1ps1 h GLU 243 N -0.29 -0.13 0.00 0.20 4.81 -1.34 -3.10 114.58 114.73 1ps1 h GLU 243 Ca -0.01 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ps1 h GLU 243 Cb 0.10 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ps1 h GLU 243 CO 0.02 -0.08 -1.22 0.45 -0.73 0.00 0.00 179.01 177.45 1ps1 h HIS 244 N -0.13 0.00 -3.63 0.92 3.86 -1.68 -3.49 115.15 111.00 1ps1 h HIS 244 Ca 0.17 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 1ps1 h HIS 244 Cb 0.40 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.93 1ps1 h HIS 244 CO -0.39 0.37 -0.27 0.41 0.86 0.00 0.00 177.93 178.91 1ps1 n GLY 245 N 1.31 0.24 3.59 2.45 0.00 0.12 -5.04 105.19 107.86 1ps1 n GLY 245 Ca -0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1ps1 n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ps1 s TRP 246 N -3.12 2.55 0.36 1.61 0.51 -1.07 -5.03 118.94 114.74 1ps1 s TRP 246 Ca 0.11 -0.28 -0.25 0.00 -2.12 0.00 0.00 56.10 53.57 1ps1 s TRP 246 Cb -0.01 -1.15 -0.10 0.00 -0.81 0.00 0.00 33.47 31.40 1ps1 s TRP 246 CO 0.23 0.64 0.98 -1.54 -0.51 0.00 0.00 176.95 176.75 1ps1 s SER 247 N -3.62 7.14 0.60 2.95 1.04 -1.26 -4.60 113.70 115.94 1ps1 s SER 247 Ca 0.31 1.88 0.20 0.00 0.48 0.00 0.00 55.95 58.82 1ps1 s SER 247 Cb -0.05 -2.58 1.08 0.00 0.10 0.00 0.00 66.02 64.57 1ps1 s SER 247 CO 0.18 -0.22 1.58 0.50 0.98 0.00 0.00 173.24 176.27 1ps1 h LYS 248 N 2.85 0.00 0.00 4.02 3.64 -1.99 0.73 116.57 125.82 1ps1 h LYS 248 Ca -0.47 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.65 1ps1 h LYS 248 Cb 1.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1ps1 h LYS 248 CO 0.64 0.00 -1.51 1.03 -2.27 0.00 0.00 179.45 177.34 1ps1 h SER 249 N 0.00 0.00 0.73 4.20 0.87 -2.00 -3.20 113.55 114.15 1ps1 h SER 249 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1ps1 h SER 249 Cb 0.97 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1ps1 h SER 249 CO 0.00 0.92 -0.67 -0.09 -0.53 0.00 0.00 176.83 176.46 1ps1 h ARG 250 N 0.00 0.00 -0.18 2.24 9.65 -1.23 -2.33 114.38 122.53 1ps1 h ARG 250 Ca -0.21 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.54 1ps1 h ARG 250 Cb 1.89 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.46 1ps1 h ARG 250 CO 0.08 0.67 -0.42 0.77 2.80 0.00 0.00 179.97 183.87 1ps1 h SER 251 N 0.00 0.45 0.21 -3.80 0.02 -1.57 -2.23 113.55 106.64 1ps1 h SER 251 Ca -0.01 -0.20 -0.32 0.00 -0.84 0.00 0.00 61.79 60.42 1ps1 h SER 251 Cb 1.22 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 63.67 1ps1 h SER 251 CO 0.09 0.82 -1.38 0.58 -1.14 0.00 0.00 176.83 175.80 1ps1 h VAL 252 N 0.35 1.28 -0.02 2.27 2.07 -1.53 -3.09 116.25 117.59 1ps1 h VAL 252 Ca 0.03 -2.60 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 1ps1 h VAL 252 Cb 0.89 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1ps1 h VAL 252 CO 0.07 0.79 0.01 0.77 0.02 0.00 0.00 177.57 179.23 1ps1 h SER 253 N 0.20 0.02 -0.77 0.57 4.64 -1.45 -2.55 113.55 114.21 1ps1 h SER 253 Ca -0.23 -0.17 0.21 0.00 -0.47 0.00 0.00 61.79 61.13 1ps1 h SER 253 Cb 2.07 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 64.11 1ps1 h SER 253 CO 0.26 0.18 0.54 -0.74 -0.87 0.00 0.00 176.83 176.21 1ps1 h HIS 254 N -0.14 0.15 -0.09 4.77 6.17 -1.50 0.22 115.15 124.73 1ps1 h HIS 254 Ca 0.01 0.00 -0.21 0.00 0.71 0.00 0.00 60.37 60.87 1ps1 h HIS 254 Cb 0.17 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.06 1ps1 h HIS 254 CO -0.02 0.04 -0.81 0.52 0.71 0.00 0.00 177.93 178.37 1ps1 h MET 255 N 0.11 0.59 -0.54 5.26 2.86 -1.42 -0.06 114.93 121.74 1ps1 h MET 255 Ca 0.38 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1ps1 h MET 255 Cb 1.32 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.07 1ps1 h MET 255 CO -0.05 1.14 0.17 1.96 1.06 0.00 0.00 176.91 181.20 1ps1 h GLN 256 N 0.39 0.80 0.12 1.72 4.20 -0.23 0.41 115.11 122.53 1ps1 h GLN 256 Ca -0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1ps1 h GLN 256 Cb 1.43 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1ps1 h GLN 256 CO 0.15 0.69 -0.06 -0.91 -0.67 0.00 0.00 178.83 178.04 1ps1 h ASN 257 N 0.78 -0.14 -0.93 1.46 2.35 -0.96 -0.66 115.58 117.48 1ps1 h ASN 257 Ca 0.18 -0.27 0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1ps1 h ASN 257 Cb 0.22 0.04 -0.09 0.00 0.05 0.00 0.00 38.32 38.54 1ps1 h ASN 257 CO -0.01 0.20 0.56 -0.33 -1.65 0.00 0.00 177.43 176.20 1ps1 h GLU 258 N -0.49 0.82 0.22 0.81 4.39 -0.52 0.58 114.58 120.39 1ps1 h GLU 258 Ca -0.02 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1ps1 h GLU 258 Cb 0.40 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1ps1 h GLU 258 CO 0.03 0.54 -0.11 0.28 -1.16 0.00 0.00 179.01 178.59 1ps1 h VAL 259 N 0.84 0.84 -0.66 3.13 2.07 -0.80 -1.59 116.25 120.09 1ps1 h VAL 259 Ca 0.48 -0.40 0.13 0.00 0.82 0.00 0.00 66.70 67.73 1ps1 h VAL 259 Cb 0.56 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 1ps1 h VAL 259 CO -0.30 0.09 0.17 -0.09 0.02 0.00 0.00 177.57 177.46 1ps1 h ARG 260 N -0.50 0.29 -0.08 1.57 2.43 0.02 0.92 114.38 119.03 1ps1 h ARG 260 Ca -0.03 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1ps1 h ARG 260 Cb 0.37 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1ps1 h ARG 260 CO 0.05 0.19 -0.43 0.00 -1.51 0.00 0.00 179.97 178.27 1ps1 h ALA 261 N 1.52 1.12 -0.19 2.80 0.00 -0.86 -1.58 119.26 122.08 1ps1 h ALA 261 Ca 0.35 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1ps1 h ALA 261 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ps1 h ALA 261 CO -0.43 0.59 -0.63 0.00 0.00 0.00 0.00 179.25 178.79 1ps1 h ARG 262 N 0.15 0.66 -0.56 0.00 3.08 0.07 -2.32 114.38 115.47 1ps1 h ARG 262 Ca 0.01 -0.46 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 1ps1 h ARG 262 Cb 0.83 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1ps1 h ARG 262 CO 0.06 1.08 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.98 1ps1 h LEU 263 N 0.49 0.95 0.61 3.04 -0.00 -0.70 0.55 115.31 120.25 1ps1 h LEU 263 Ca -0.01 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 1ps1 h LEU 263 Cb 1.22 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 1ps1 h LEU 263 CO 0.12 1.00 -0.49 -0.33 -0.00 0.00 0.00 178.44 178.75 1ps1 h GLU 264 N 0.89 -1.03 -0.80 1.13 4.39 -1.12 -2.70 114.58 115.34 1ps1 h GLU 264 Ca 0.16 0.07 0.07 0.00 0.34 0.00 0.00 59.36 60.01 1ps1 h GLU 264 Cb 0.53 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.36 1ps1 h GLU 264 CO 0.03 -0.69 0.52 1.96 -1.16 0.00 0.00 179.01 179.67 1ps1 h GLN 265 N -1.07 0.81 -0.50 2.33 4.20 -1.27 -0.94 115.11 118.68 1ps1 h GLN 265 Ca -0.08 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.68 1ps1 h GLN 265 Cb 0.90 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.40 1ps1 h GLN 265 CO 0.01 0.54 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.72 1ps1 h TYR 266 N 0.84 -0.15 -0.70 2.96 3.20 -0.57 -0.20 116.97 122.35 1ps1 h TYR 266 Ca 0.35 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 1ps1 h TYR 266 Cb 0.29 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1ps1 h TYR 266 CO -0.00 -0.17 0.41 -0.07 -1.64 0.00 0.00 178.16 176.70 1ps1 h LEU 267 N 0.05 0.84 0.41 2.82 3.38 -0.95 -0.42 115.31 121.45 1ps1 h LEU 267 Ca 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1ps1 h LEU 267 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ps1 h LEU 267 CO -0.47 0.65 -0.20 0.25 0.09 0.00 0.00 178.44 178.77 1ps1 h LEU 268 N 0.97 -0.47 -0.87 1.67 6.46 -0.77 -2.64 115.31 119.65 1ps1 h LEU 268 Ca 0.25 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1ps1 h LEU 268 Cb -0.03 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1ps1 h LEU 268 CO -0.05 -0.31 0.55 -0.07 -0.62 0.00 0.00 178.44 177.94 1ps1 h LEU 269 N -0.58 0.88 -1.48 2.25 3.38 -0.70 -2.20 115.31 116.86 1ps1 h LEU 269 Ca -0.06 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1ps1 h LEU 269 Cb 0.44 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1ps1 h LEU 269 CO 0.09 0.58 0.48 -0.33 0.09 0.00 0.00 178.44 179.35 1ps1 h GLU 270 N 1.02 0.56 0.00 1.13 5.08 -0.84 -0.26 114.58 121.27 1ps1 h GLU 270 Ca 0.37 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1ps1 h GLU 270 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ps1 h GLU 270 CO -0.16 0.37 -0.34 0.66 -1.00 0.00 0.00 179.01 178.54 1ps1 h SER 271 N 0.57 0.00 0.18 1.42 4.64 -1.05 -2.46 113.55 116.85 1ps1 h SER 271 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ps1 h SER 271 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ps1 h SER 271 CO -0.12 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 1ps1 h LEU 273 N 0.00 0.70 -0.64 0.00 5.85 -1.32 -0.88 115.31 119.02 1ps1 h LEU 273 Ca 0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1ps1 h LEU 273 Cb 0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1ps1 h LEU 273 CO 0.00 0.89 0.20 -0.65 -0.34 0.00 0.00 178.44 178.54 1ps1 h PRO 274 N 0.62 1.00 -0.42 5.25 0.11 -1.80 -0.95 132.00 135.81 1ps1 h PRO 274 Ca 0.10 -0.21 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 1ps1 h PRO 274 Cb 0.66 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1ps1 h PRO 274 CO 0.05 0.87 0.02 -0.22 -0.21 0.00 0.00 178.00 178.51 1ps1 h LYS 275 N 0.93 0.73 -0.27 1.05 3.11 -1.79 -2.50 116.57 117.83 1ps1 h LYS 275 Ca 0.21 -0.22 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1ps1 h LYS 275 Cb 0.29 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1ps1 h LYS 275 CO -0.01 0.79 0.18 0.28 -2.81 0.00 0.00 179.45 177.89 1ps1 h VAL 276 N 0.57 1.02 -0.16 2.00 2.07 -0.60 0.25 116.25 121.39 1ps1 h VAL 276 Ca 0.12 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.41 1ps1 h VAL 276 Cb 0.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1ps1 h VAL 276 CO 0.02 0.05 -0.48 1.23 0.02 0.00 0.00 177.57 178.41 1ps1 h GLY 277 N 0.28 0.47 0.89 2.17 0.00 -0.82 -2.74 103.07 103.32 1ps1 h GLY 277 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1ps1 h GLY 277 CO -0.02 0.45 -0.19 0.83 0.00 0.00 0.00 176.54 177.61 1ps1 h GLU 278 N 0.34 -0.51 -0.96 4.80 5.08 -0.57 -1.49 114.58 121.28 1ps1 h GLU 278 Ca 0.02 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.66 1ps1 h GLU 278 Cb 0.97 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.21 1ps1 h GLU 278 CO 0.08 -0.27 0.51 0.82 -1.00 0.00 0.00 179.01 179.15 1ps1 h ILE 279 N -0.64 0.48 -0.36 3.13 2.04 -1.18 0.50 117.51 121.48 1ps1 h ILE 279 Ca -0.05 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ps1 h ILE 279 Cb 0.47 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1ps1 h ILE 279 CO 0.09 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 1ps1 n TYR 280 N -4.97 0.48 -4.03 1.37 4.01 -1.04 -4.94 117.16 108.04 1ps1 n TYR 280 Ca 0.25 -0.24 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1ps1 n TYR 280 Cb 0.74 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.78 1ps1 n TYR 280 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ps1 n GLN 281 N 0.65 -0.57 -2.62 -0.72 6.02 0.17 -4.86 117.38 115.45 1ps1 n GLN 281 Ca 0.14 0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.89 1ps1 n GLN 281 Cb 0.35 -2.95 -0.05 0.00 1.02 0.00 0.00 30.24 28.60 1ps1 n GLN 281 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ps1 s LEU 282 N -7.28 4.51 0.00 1.08 1.43 -0.64 -5.05 118.68 112.74 1ps1 s LEU 282 Ca 0.43 2.08 -0.06 0.00 -1.03 0.00 0.00 54.13 55.55 1ps1 s LEU 282 Cb -0.22 -3.73 0.11 0.00 0.03 0.00 0.00 46.19 42.38 1ps1 s LEU 282 CO 0.95 -0.07 0.68 -0.90 0.23 0.00 0.00 176.35 177.25 1ps1 n ASP 283 N 1.08 0.28 0.11 2.29 5.68 -1.26 -4.75 116.55 119.96 1ps1 n ASP 283 Ca -0.00 -1.38 -0.13 0.00 -0.50 0.00 0.00 54.79 52.78 1ps1 n ASP 283 Cb 0.47 -0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 39.89 1ps1 n ASP 283 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1ps1 h THR 284 N -1.14 0.40 -0.40 2.12 2.02 -1.99 -0.81 112.91 113.12 1ps1 h THR 284 Ca -0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1ps1 h THR 284 Cb 0.67 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1ps1 h THR 284 CO 0.18 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.29 1ps1 h ALA 285 N 0.25 0.50 -0.06 6.16 0.00 -2.00 -2.51 119.26 121.60 1ps1 h ALA 285 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ps1 h ALA 285 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ps1 h ALA 285 CO -0.17 -0.11 0.03 0.93 0.00 0.00 0.00 179.25 179.93 1ps1 h GLU 286 N 0.46 0.07 -0.57 0.00 5.08 -1.92 -0.23 114.58 117.47 1ps1 h GLU 286 Ca 0.16 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 1ps1 h GLU 286 Cb 0.02 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1ps1 h GLU 286 CO -0.08 0.05 0.40 0.00 -1.00 0.00 0.00 179.01 178.38 1ps1 h ARG 287 N 0.07 0.06 0.07 2.33 3.08 -0.91 0.20 114.38 119.28 1ps1 h ARG 287 Ca 0.02 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1ps1 h ARG 287 Cb -0.00 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ps1 h ARG 287 CO -0.01 0.04 -0.37 1.49 -1.07 0.00 0.00 179.97 180.04 1ps1 h GLU 288 N 0.06 0.14 -0.87 0.04 4.81 -0.92 -2.89 114.58 114.94 1ps1 h GLU 288 Ca 0.27 -0.24 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1ps1 h GLU 288 Cb 1.01 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1ps1 h GLU 288 CO -0.02 1.11 0.51 0.00 -0.73 0.00 0.00 179.01 179.89 1ps1 h ALA 289 N 0.04 1.25 0.00 2.92 0.00 -0.30 0.23 119.26 123.39 1ps1 h ALA 289 Ca -0.07 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ps1 h ALA 289 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1ps1 h ALA 289 CO 0.07 0.15 -0.22 1.25 0.00 0.00 0.00 179.25 180.50 1ps1 h LEU 290 N 0.86 0.00 -0.04 0.00 5.85 -1.06 -0.45 115.31 120.46 1ps1 h LEU 290 Ca 0.42 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 1ps1 h LEU 290 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ps1 h LEU 290 CO -0.24 0.22 -0.12 -0.08 -0.34 0.00 0.00 178.44 177.88 1ps1 h GLU 291 N 0.00 0.16 -0.56 1.25 4.57 -0.42 -2.54 114.58 117.04 1ps1 h GLU 291 Ca -0.00 -0.11 0.09 0.00 -1.18 0.00 0.00 59.36 58.15 1ps1 h GLU 291 Cb 0.48 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 1ps1 h GLU 291 CO 0.03 0.73 0.18 0.00 -1.18 0.00 0.00 179.01 178.77 1ps1 h ARG 292 N -0.39 0.33 -0.46 1.92 2.47 -0.86 0.27 114.38 117.66 1ps1 h ARG 292 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ps1 h ARG 292 Cb 0.74 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1ps1 h ARG 292 CO 0.03 0.22 0.30 -0.92 0.56 0.00 0.00 179.97 180.16 1ps1 h TYR 293 N 0.34 0.58 -0.05 3.04 3.20 -1.07 0.57 116.97 123.59 1ps1 h TYR 293 Ca 0.28 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.93 1ps1 h TYR 293 Cb 0.35 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.44 1ps1 h TYR 293 CO -0.19 0.37 -0.92 -0.09 -1.64 0.00 0.00 178.16 175.69 1ps1 h ARG 294 N 0.62 0.63 0.01 1.82 2.43 -0.56 -1.66 114.38 117.68 1ps1 h ARG 294 Ca 0.17 -0.61 -0.33 0.00 -0.81 0.00 0.00 59.98 58.39 1ps1 h ARG 294 Cb -0.07 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1ps1 h ARG 294 CO -0.04 1.22 -2.03 0.25 -1.51 0.00 0.00 179.97 177.87 1ps1 n THR 295 N -3.85 1.54 0.75 0.20 -2.24 -0.38 -2.39 114.28 107.91 1ps1 n THR 295 Ca -0.08 -0.79 0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1ps1 n THR 295 Cb 0.82 -0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 1ps1 n THR 295 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ps1 n ASP 296 N -3.00 0.73 0.05 3.42 9.92 0.20 -4.06 116.55 123.80 1ps1 n ASP 296 Ca -0.26 -0.67 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 1ps1 n ASP 296 Cb 1.08 1.14 0.00 0.00 -0.64 0.00 0.00 41.12 42.70 1ps1 n ASP 296 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ps1 n ALA 297 N -1.69 3.00 0.04 2.24 0.00 -1.07 -4.65 120.51 118.37 1ps1 n ALA 297 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1ps1 n ALA 297 Cb 0.39 0.28 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1ps1 n ALA 297 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ps1 h VAL 298 N 0.00 1.36 -0.07 0.00 2.07 -1.45 -2.97 116.25 115.19 1ps1 h VAL 298 Ca 0.00 -2.16 -0.08 0.00 0.82 0.00 0.00 66.70 65.29 1ps1 h VAL 298 Cb 0.21 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1ps1 h VAL 298 CO 0.00 0.66 -0.26 0.03 0.02 0.00 0.00 177.57 178.02 1ps1 h ARG 299 N 0.33 0.30 -0.64 1.57 3.08 -1.68 -3.14 114.38 114.20 1ps1 h ARG 299 Ca -0.05 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1ps1 h ARG 299 Cb 1.38 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 1ps1 h ARG 299 CO 0.14 0.86 0.39 1.79 -1.07 0.00 0.00 179.97 182.08 1ps1 h THR 300 N -0.20 1.18 0.00 2.04 1.35 -1.70 0.63 112.91 116.20 1ps1 h THR 300 Ca -0.01 -0.40 -0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1ps1 h THR 300 Cb 0.89 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1ps1 h THR 300 CO 0.05 0.19 -0.21 1.62 -0.25 0.00 0.00 175.52 176.92 1ps1 h VAL 301 N 0.88 0.59 0.00 6.82 3.04 -1.54 0.40 116.25 126.44 1ps1 h VAL 301 Ca 0.23 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1ps1 h VAL 301 Cb -0.04 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1ps1 h VAL 301 CO -0.04 0.21 -0.06 0.40 -1.01 0.00 0.00 177.57 177.07 1ps1 h ILE 302 N 0.00 0.36 -0.10 3.17 1.08 -1.31 -3.36 117.51 117.35 1ps1 h ILE 302 Ca -0.00 -1.28 -0.05 0.00 -0.39 0.00 0.00 64.86 63.14 1ps1 h ILE 302 Cb 0.66 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1ps1 h ILE 302 CO 0.03 0.12 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.38 1ps1 h ARG 303 N -1.00 0.28 -0.89 2.37 2.43 -0.88 -3.30 114.38 113.38 1ps1 h ARG 303 Ca -0.01 -0.16 0.24 0.00 -0.81 0.00 0.00 59.98 59.25 1ps1 h ARG 303 Cb 0.25 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.66 1ps1 h ARG 303 CO -0.00 0.73 0.22 0.78 -1.51 0.00 0.00 179.97 180.19 1ps1 h GLY 304 N -0.15 1.38 0.90 2.80 0.00 -0.39 -1.09 103.07 106.52 1ps1 h GLY 304 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1ps1 h GLY 304 CO 0.03 -0.40 0.09 1.48 0.00 0.00 0.00 176.54 177.75 1ps1 h SER 305 N 0.18 0.40 -0.54 0.19 4.64 -1.70 -2.26 113.55 114.46 1ps1 h SER 305 Ca 0.57 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1ps1 h SER 305 Cb 1.16 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1ps1 h SER 305 CO -0.69 0.49 0.35 0.22 -0.87 0.00 0.00 176.83 176.34 1ps1 h TYR 306 N 0.30 0.67 -0.75 4.77 3.20 -1.37 -0.76 116.97 123.02 1ps1 h TYR 306 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1ps1 h TYR 306 Cb 0.23 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1ps1 h TYR 306 CO 0.00 0.41 0.34 -0.44 -1.64 0.00 0.00 178.16 176.84 1ps1 h ASP 307 N 0.71 0.98 0.18 -2.11 3.32 -1.16 -3.09 116.42 115.25 1ps1 h ASP 307 Ca 0.20 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1ps1 h ASP 307 Cb -0.06 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1ps1 h ASP 307 CO -0.06 0.84 -0.08 -0.25 -1.72 0.00 0.00 179.24 177.97 1ps1 h TRP 308 N 1.06 -0.22 0.00 4.55 7.01 -1.16 -2.64 115.95 124.55 1ps1 h TRP 308 Ca 0.26 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.25 1ps1 h TRP 308 Cb 0.13 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1ps1 h TRP 308 CO 0.01 0.10 0.00 0.72 -2.79 0.00 0.00 178.44 176.48 1ps1 n HIS 309 N -5.05 0.00 -2.21 2.65 8.25 -0.31 -2.52 115.22 116.02 1ps1 n HIS 309 Ca -0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.02 1ps1 n HIS 309 Cb 0.22 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.35 1ps1 n HIS 309 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ps1 n ARG 310 N -0.86 3.19 0.00 -0.41 1.74 -1.00 -4.09 116.66 115.23 1ps1 n ARG 310 Ca 0.01 -4.00 0.00 0.00 -0.77 0.00 0.00 57.85 53.09 1ps1 n ARG 310 Cb 0.01 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1ps1 n ARG 310 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ps1 n SER 311 N -0.47 0.00 -4.94 0.55 3.41 -1.13 -5.03 113.62 106.01 1ps1 n SER 311 Ca 0.47 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.84 1ps1 n SER 311 Cb 0.39 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1ps1 n SER 311 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ps1 s SER 312 N 0.00 5.73 0.00 4.04 0.01 -1.05 -5.16 113.70 117.27 1ps1 s SER 312 Ca 0.00 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1ps1 s SER 312 Cb 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1ps1 s SER 312 CO 0.00 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.43