#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 -0.58 -3.94 1.69 5.68 -1.26 -4.99 116.55 113.15 1ps1 n ASP 4 Ca 0.00 -0.04 -0.23 0.00 -0.50 0.00 0.00 54.79 54.02 1ps1 n ASP 4 Cb 0.00 -0.18 -0.17 0.00 -1.14 0.00 0.00 41.12 39.64 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 -0.62 0.81 0.26 2.12 1.01 -1.26 -5.13 120.40 117.60 1ps1 s VAL 5 Ca 0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1ps1 s VAL 5 Cb -0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 1ps1 s VAL 5 CO 0.10 0.29 1.42 -1.81 0.00 0.00 0.00 175.10 175.10 1ps1 s ASP 6 N 0.96 6.67 0.01 3.32 1.01 -1.26 -5.04 116.67 122.35 1ps1 s ASP 6 Ca -0.10 2.66 0.00 0.00 0.71 0.00 0.00 52.55 55.83 1ps1 s ASP 6 Cb -0.15 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 1ps1 s ASP 6 CO 0.00 -0.68 -0.02 -0.36 0.21 0.00 0.00 175.17 174.33 1ps1 s PHE 7 N -0.16 0.16 -1.09 4.23 0.08 -1.26 -5.00 117.98 114.94 1ps1 s PHE 7 Ca 0.58 -0.30 -0.19 0.00 0.12 0.00 0.00 56.93 57.14 1ps1 s PHE 7 Cb -0.41 -0.11 0.10 0.00 -0.57 0.00 0.00 43.02 42.02 1ps1 s PHE 7 CO 0.45 -0.11 1.43 -1.58 -0.10 0.00 0.00 175.22 175.31 1ps1 s HIS 8 N -0.82 2.91 -0.71 0.36 5.65 -1.26 -4.92 115.29 116.50 1ps1 s HIS 8 Ca -0.09 -1.39 0.05 0.00 0.25 0.00 0.00 55.06 53.88 1ps1 s HIS 8 Cb -0.06 -4.54 0.20 0.00 -1.18 0.00 0.00 32.58 27.01 1ps1 s HIS 8 CO -0.01 -1.70 0.62 -0.89 -0.65 0.00 0.00 174.74 172.11 1ps1 n ILE 9 N 6.02 2.05 -0.60 0.89 2.08 -1.26 -4.80 119.36 123.75 1ps1 n ILE 9 Ca 0.35 -5.03 -0.21 0.00 0.56 0.00 0.00 62.75 58.42 1ps1 n ILE 9 Cb 0.48 -2.17 -0.02 0.00 -0.75 0.00 0.00 39.64 37.18 1ps1 n ILE 9 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1ps1 n PRO 10 N 1.59 1.40 -3.93 0.38 -0.04 -1.26 -4.84 135.00 128.29 1ps1 n PRO 10 Ca 0.24 -1.25 -0.10 0.00 -0.04 0.00 0.00 63.50 62.34 1ps1 n PRO 10 Cb 0.37 -2.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.30 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 0.21 2.13 -0.69 1.53 1.43 -1.26 -5.10 118.68 116.93 1ps1 s LEU 11 Ca 0.33 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 1ps1 s LEU 11 Cb 0.08 0.06 -0.13 0.00 0.03 0.00 0.00 46.19 46.24 1ps1 s LEU 11 CO 0.01 -0.17 2.52 -0.81 0.23 0.00 0.00 176.35 178.14 1ps1 n PRO 12 N 2.25 0.63 -1.68 1.29 -0.04 -1.26 -4.94 135.00 131.26 1ps1 n PRO 12 Ca -0.19 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 1ps1 n PRO 12 Cb 0.57 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1ps1 n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ps1 n GLY 13 N 6.22 0.90 3.34 0.55 0.00 -1.26 -4.96 105.19 109.98 1ps1 n GLY 13 Ca 0.49 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.84 1ps1 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ps1 s ARG 14 N -0.25 1.75 -0.30 1.61 0.52 -1.26 -5.17 118.95 115.85 1ps1 s ARG 14 Ca 0.69 -1.90 -0.19 0.00 -0.52 0.00 0.00 55.73 53.81 1ps1 s ARG 14 Cb -0.63 0.36 0.20 0.00 0.52 0.00 0.00 34.95 35.40 1ps1 s ARG 14 CO 0.48 -0.67 1.32 -1.14 0.02 0.00 0.00 175.30 175.31 1ps1 s GLN 15 N -3.40 0.05 0.26 3.54 0.74 -1.26 -4.76 119.66 114.83 1ps1 s GLN 15 Ca 0.37 0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.56 1ps1 s GLN 15 Cb 0.02 0.02 -0.11 0.00 1.10 0.00 0.00 33.01 34.04 1ps1 s GLN 15 CO 0.24 -0.01 1.50 0.45 -0.55 0.00 0.00 175.29 176.92 1ps1 s SER 16 N 0.72 6.55 0.17 6.67 0.15 -0.40 -4.88 113.70 122.68 1ps1 s SER 16 Ca -0.03 2.76 -0.14 0.00 0.70 0.00 0.00 55.95 59.24 1ps1 s SER 16 Cb -0.03 -2.63 0.09 0.00 -1.71 0.00 0.00 66.02 61.75 1ps1 s SER 16 CO -0.12 -0.78 1.79 1.55 1.20 0.00 0.00 173.24 176.88 1ps1 h PRO 17 N 5.10 0.48 0.00 5.44 0.13 -1.86 -2.25 132.00 139.04 1ps1 h PRO 17 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ps1 h PRO 17 Cb 1.22 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ps1 h PRO 17 CO 0.79 0.32 0.00 -3.47 -0.23 0.00 0.00 178.00 175.41 1ps1 n ASP 18 N -4.87 0.00 -0.31 1.44 2.03 -1.26 -4.25 116.55 109.33 1ps1 n ASP 18 Ca 0.03 -0.07 0.09 0.00 0.52 0.00 0.00 54.79 55.36 1ps1 n ASP 18 Cb 0.10 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.00 -0.15 -0.29 -0.67 2.07 -1.76 -2.26 115.15 112.08 1ps1 h HIS 19 Ca 0.00 0.07 -0.08 0.00 -2.85 0.00 0.00 60.37 57.51 1ps1 h HIS 19 Cb 0.00 0.21 -0.02 0.00 2.57 0.00 0.00 27.41 30.17 1ps1 h HIS 19 CO 0.00 -0.36 -0.15 0.00 -3.07 0.00 0.00 177.93 174.35 1ps1 h ALA 20 N 1.88 1.19 -0.29 6.11 0.00 -1.87 -2.28 119.26 124.00 1ps1 h ALA 20 Ca 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ps1 h ALA 20 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ps1 h ALA 20 CO -0.84 0.52 0.13 -0.09 0.00 0.00 0.00 179.25 178.97 1ps1 h ARG 21 N 0.47 0.42 -0.96 0.00 2.43 -1.74 -1.68 114.38 113.32 1ps1 h ARG 21 Ca 0.08 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1ps1 h ARG 21 Cb 0.54 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1ps1 h ARG 21 CO 0.03 0.41 0.63 0.00 -1.51 0.00 0.00 179.97 179.54 1ps1 h ALA 22 N 0.99 1.23 0.00 2.80 0.00 -1.48 -0.80 119.26 121.99 1ps1 h ALA 22 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ps1 h ALA 22 Cb 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ps1 h ALA 22 CO -0.01 0.59 -0.37 1.49 0.00 0.00 0.00 179.25 180.95 1ps1 h GLU 23 N 1.28 0.00 0.32 0.00 4.81 -1.24 -2.06 114.58 117.69 1ps1 h GLU 23 Ca 0.36 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1ps1 h GLU 23 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1ps1 h GLU 23 CO -0.08 0.37 -0.15 0.00 -0.73 0.00 0.00 179.01 178.42 1ps1 h ALA 24 N 1.63 -0.42 0.00 2.92 0.00 -0.23 -3.20 119.26 119.95 1ps1 h ALA 24 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ps1 h ALA 24 Cb 0.79 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ps1 h ALA 24 CO 0.05 -0.53 0.00 0.39 0.00 0.00 0.00 179.25 179.16 1ps1 n GLU 25 N -5.11 0.97 -0.32 0.00 4.71 -0.47 -4.47 120.64 115.95 1ps1 n GLU 25 Ca -0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.16 1ps1 n GLU 25 Cb 0.27 -1.19 0.23 0.00 -1.01 0.00 0.00 31.44 29.74 1ps1 n GLU 25 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1ps1 h GLN 26 N 0.00 0.04 0.00 3.49 4.15 -1.36 -2.56 115.11 118.87 1ps1 h GLN 26 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ps1 h GLN 26 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1ps1 h GLN 26 CO 0.00 0.03 -0.04 1.28 -1.93 0.00 0.00 178.83 178.16 1ps1 n LEU 27 N -5.46 0.82 0.36 -2.39 4.77 -1.26 -4.18 117.00 109.65 1ps1 n LEU 27 Ca 0.19 0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 56.54 1ps1 n LEU 27 Cb 0.64 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1ps1 n LEU 27 CO -0.04 -0.18 0.56 0.00 -1.33 0.00 0.00 177.39 176.41 1ps1 h ALA 28 N 2.51 -1.12 -0.03 -1.18 0.00 -1.80 -2.89 119.26 114.76 1ps1 h ALA 28 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ps1 h ALA 28 Cb 0.74 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ps1 h ALA 28 CO 0.00 -1.15 -0.14 2.35 0.00 0.00 0.00 179.25 180.31 1ps1 h TRP 29 N -1.05 -0.42 -1.00 0.00 7.01 -1.77 -0.81 115.95 117.91 1ps1 h TRP 29 Ca -0.08 0.02 0.27 0.00 2.11 0.00 0.00 58.89 61.21 1ps1 h TRP 29 Cb 0.87 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 28.06 1ps1 h TRP 29 CO -0.16 -0.14 0.69 -1.00 -2.79 0.00 0.00 178.44 175.05 1ps1 h PRO 30 N -0.15 0.15 -0.20 2.65 0.13 -1.79 0.57 132.00 133.36 1ps1 h PRO 30 Ca 0.01 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1ps1 h PRO 30 Cb 0.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1ps1 h PRO 30 CO -0.11 0.10 -0.06 0.00 -0.23 0.00 0.00 178.00 177.70 1ps1 h ARG 31 N 0.15 0.39 -0.74 0.86 3.08 -1.14 -0.17 114.38 116.81 1ps1 h ARG 31 Ca 0.51 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 60.48 1ps1 h ARG 31 Cb 1.72 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.70 1ps1 h ARG 31 CO -0.10 0.65 0.49 0.66 -1.07 0.00 0.00 179.97 180.60 1ps1 h SER 32 N 0.10 0.63 -0.02 7.04 4.64 0.16 -0.94 113.55 125.16 1ps1 h SER 32 Ca 0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ps1 h SER 32 Cb 0.52 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ps1 h SER 32 CO 0.02 0.39 0.00 0.18 -0.87 0.00 0.00 176.83 176.55 1ps1 n LEU 33 N -4.49 0.46 0.00 5.97 7.99 -1.02 -4.89 117.00 121.03 1ps1 n LEU 33 Ca 0.12 -0.17 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 1ps1 n LEU 33 Cb 0.28 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1ps1 n LEU 33 CO 0.33 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.90 1ps1 n GLY 34 N 1.00 0.52 0.18 -0.72 0.00 -0.36 -4.69 105.19 101.12 1ps1 n GLY 34 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.40 -7.58 0.99 3.38 -1.22 -3.41 115.31 107.88 1ps1 h LEU 35 Ca 0.00 -0.24 -0.56 0.00 0.09 0.00 0.00 57.88 57.18 1ps1 h LEU 35 Cb 0.03 -0.12 -0.38 0.00 0.09 0.00 0.00 40.66 40.28 1ps1 h LEU 35 CO 0.00 0.94 -0.79 -0.63 0.09 0.00 0.00 178.44 178.05 1ps1 s ILE 36 N -3.74 1.09 -0.08 1.22 1.01 -1.14 -5.00 121.20 114.56 1ps1 s ILE 36 Ca -0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1ps1 s ILE 36 Cb 0.11 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1ps1 s ILE 36 CO 0.82 0.06 -0.19 0.54 0.00 0.00 0.00 174.94 176.16 1ps1 n ARG 37 N 4.87 0.29 -1.51 2.79 1.74 -1.26 -4.43 116.66 119.16 1ps1 n ARG 37 Ca -0.11 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1ps1 n ARG 37 Cb 0.47 -0.99 0.07 0.00 -1.02 0.00 0.00 32.46 30.99 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 -5.61 4.86 0.21 0.55 1.04 -1.26 -4.89 113.70 108.60 1ps1 s SER 38 Ca -0.16 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.07 1ps1 s SER 38 Cb 0.02 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.77 1ps1 s SER 38 CO 0.24 -1.80 1.76 0.44 0.98 0.00 0.00 173.24 174.87 1ps1 h ASP 39 N -0.58 1.09 0.01 7.02 3.32 -1.99 -0.62 116.42 124.68 1ps1 h ASP 39 Ca -0.45 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.39 1ps1 h ASP 39 Cb 1.23 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1ps1 h ASP 39 CO 0.53 0.99 -0.06 0.00 -1.72 0.00 0.00 179.24 178.98 1ps1 h ALA 40 N 1.16 1.72 -0.04 3.45 0.00 -1.99 0.90 119.26 124.47 1ps1 h ALA 40 Ca 0.25 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1ps1 h ALA 40 Cb 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ps1 h ALA 40 CO -0.01 0.21 -0.60 0.00 0.00 0.00 0.00 179.25 178.85 1ps1 h ALA 41 N 1.81 0.12 -0.78 0.00 0.00 -1.53 -2.74 119.26 116.14 1ps1 h ALA 41 Ca 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1ps1 h ALA 41 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ps1 h ALA 41 CO 0.01 0.39 0.38 0.00 0.00 0.00 0.00 179.25 180.02 1ps1 h ALA 42 N 0.38 1.01 0.43 0.00 0.00 -0.53 -2.49 119.26 118.07 1ps1 h ALA 42 Ca -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ps1 h ALA 42 Cb 1.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ps1 h ALA 42 CO 0.12 0.57 -0.40 1.49 0.00 0.00 0.00 179.25 181.03 1ps1 h GLU 43 N 1.11 -0.81 -0.94 0.00 4.57 -0.92 -1.28 114.58 116.30 1ps1 h GLU 43 Ca 0.27 0.06 0.26 0.00 -1.18 0.00 0.00 59.36 58.77 1ps1 h GLU 43 Cb 0.12 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1ps1 h GLU 43 CO -0.03 -0.54 0.66 -0.09 -1.18 0.00 0.00 179.01 177.83 1ps1 h ARG 44 N -0.84 0.08 0.03 1.92 2.43 -1.32 0.61 114.38 117.29 1ps1 h ARG 44 Ca -0.04 -0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.86 1ps1 h ARG 44 Cb 0.74 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1ps1 h ARG 44 CO -0.04 0.05 -1.05 1.25 -1.51 0.00 0.00 179.97 178.67 1ps1 h HIS 45 N 0.08 1.00 -0.22 2.20 2.76 -0.93 -3.30 115.15 116.74 1ps1 h HIS 45 Ca 0.46 -0.57 0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1ps1 h HIS 45 Cb 1.69 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.51 1ps1 h HIS 45 CO -0.00 1.40 0.01 -0.07 -1.30 0.00 0.00 177.93 177.97 1ps1 h LEU 46 N 0.31 -0.06 -0.48 0.26 3.38 0.24 -2.52 115.31 116.43 1ps1 h LEU 46 Ca -0.14 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ps1 h LEU 46 Cb 1.72 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1ps1 h LEU 46 CO 0.21 -0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.62 1ps1 n ARG 47 N -5.13 0.38 -0.01 1.13 1.85 -0.81 -1.61 116.66 112.46 1ps1 n ARG 47 Ca -0.02 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.92 1ps1 n ARG 47 Cb 0.11 -1.09 -0.13 0.00 -1.05 0.00 0.00 32.46 30.30 1ps1 n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ps1 n GLY 48 N 0.09 -0.78 3.23 2.89 0.00 -0.95 -4.34 105.19 105.32 1ps1 n GLY 48 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 1ps1 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ps1 n GLY 49 N 1.53 -0.31 0.20 -0.02 0.00 -0.63 -3.67 105.19 102.29 1ps1 n GLY 49 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1ps1 n GLY 49 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ps1 h TYR 50 N -1.92 0.40 -0.18 1.61 0.05 -1.82 -2.41 116.97 112.69 1ps1 h TYR 50 Ca -0.52 -0.12 -0.19 0.00 0.05 0.00 0.00 58.73 57.95 1ps1 h TYR 50 Cb 1.31 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1ps1 h TYR 50 CO 0.41 0.73 -0.66 0.00 -1.05 0.00 0.00 178.16 177.59 1ps1 h ALA 51 N 1.25 0.49 -0.11 3.88 0.00 -1.89 -1.76 119.26 121.12 1ps1 h ALA 51 Ca 0.02 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ps1 h ALA 51 Cb 0.90 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1ps1 h ALA 51 CO 0.07 0.70 -0.26 0.22 0.00 0.00 0.00 179.25 179.99 1ps1 h ASP 52 N 0.50 -0.79 -0.07 0.00 3.58 -1.83 -1.77 116.42 116.04 1ps1 h ASP 52 Ca -0.02 0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.59 1ps1 h ASP 52 Cb 1.26 0.34 -0.04 0.00 1.72 0.00 0.00 39.33 42.61 1ps1 h ASP 52 CO 0.13 -0.31 -0.17 0.25 -2.88 0.00 0.00 179.24 176.27 1ps1 h LEU 53 N -0.34 -0.50 -0.76 2.28 5.85 -1.36 -2.84 115.31 117.63 1ps1 h LEU 53 Ca 0.09 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.02 1ps1 h LEU 53 Cb 0.48 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.60 1ps1 h LEU 53 CO -0.30 -0.22 -0.38 0.00 -0.34 0.00 0.00 178.44 177.20 1ps1 h ALA 54 N 0.75 -0.02 -0.11 1.25 0.00 -0.48 0.18 119.26 120.82 1ps1 h ALA 54 Ca 0.08 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1ps1 h ALA 54 Cb 0.35 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ps1 h ALA 54 CO -0.21 -0.69 0.09 0.66 0.00 0.00 0.00 179.25 179.11 1ps1 h SER 55 N -0.10 0.00 0.27 0.00 4.64 -1.16 0.20 113.55 117.41 1ps1 h SER 55 Ca 0.27 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.25 1ps1 h SER 55 Cb 0.57 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1ps1 h SER 55 CO -0.81 0.00 -1.56 0.03 -0.87 0.00 0.00 176.83 173.62 1ps1 h ARG 56 N 0.00 0.47 -0.38 4.77 3.08 -0.57 -0.97 114.38 120.77 1ps1 h ARG 56 Ca 0.05 -0.80 -0.13 0.00 0.07 0.00 0.00 59.98 59.17 1ps1 h ARG 56 Cb 0.24 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1ps1 h ARG 56 CO -0.00 1.38 -0.29 0.74 -1.07 0.00 0.00 179.97 180.73 1ps1 h PHE 57 N 0.13 1.03 -2.28 3.04 0.04 -0.32 -3.34 116.94 115.24 1ps1 h PHE 57 Ca -0.28 -0.29 -0.62 0.00 2.80 0.00 0.00 57.97 59.59 1ps1 h PHE 57 Cb 2.13 -0.23 -0.40 0.00 2.20 0.00 0.00 35.95 39.65 1ps1 h PHE 57 CO 0.11 1.08 -0.44 0.66 -0.60 0.00 0.00 178.31 179.13 1ps1 n TYR 58 N -4.16 3.68 0.38 -0.55 4.01 0.64 -4.56 117.16 116.60 1ps1 n TYR 58 Ca -0.02 -3.92 0.10 0.00 -0.16 0.00 0.00 57.90 53.90 1ps1 n TYR 58 Cb 0.49 -0.61 0.41 0.00 -0.31 0.00 0.00 39.34 39.32 1ps1 n TYR 58 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ps1 n PRO 59 N 0.43 0.12 0.00 -0.72 -0.04 -1.04 -1.38 135.00 132.37 1ps1 n PRO 59 Ca 0.31 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 64.30 1ps1 n PRO 59 Cb 0.39 -1.74 0.49 0.00 -0.04 0.00 0.00 33.50 32.60 1ps1 n PRO 59 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ps1 n HIS 60 N -1.97 0.00 -4.09 0.54 1.44 -1.26 -3.79 115.22 106.09 1ps1 n HIS 60 Ca 0.02 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.44 1ps1 n HIS 60 Cb 0.18 -0.05 -0.07 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.19 3.47 0.04 1.59 0.00 -0.48 -4.88 121.76 119.32 1ps1 s ALA 61 Ca 0.33 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 1ps1 s ALA 61 Cb 0.20 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1ps1 s ALA 61 CO 0.40 0.64 0.11 0.99 0.00 0.00 0.00 175.76 177.91 1ps1 s THR 62 N -1.51 0.13 0.00 0.00 2.01 -1.26 -4.55 115.64 110.46 1ps1 s THR 62 Ca 0.29 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1ps1 s THR 62 Cb -0.11 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1ps1 s THR 62 CO 0.21 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 1ps1 n GLY 63 N 0.73 1.98 0.38 4.40 0.00 -1.26 -2.36 105.19 109.06 1ps1 n GLY 63 Ca -0.19 -0.52 0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.90 2.02 0.13 4.61 0.00 -1.99 0.86 119.26 124.00 1ps1 h ALA 64 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ps1 h ALA 64 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ps1 h ALA 64 CO 0.00 -0.60 -0.06 -0.44 0.00 0.00 0.00 179.25 178.14 1ps1 h ASP 65 N 0.00 -0.15 0.45 0.00 3.32 -1.86 -1.61 116.42 116.57 1ps1 h ASP 65 Ca 0.17 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1ps1 h ASP 65 Cb 1.01 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ps1 h ASP 65 CO -0.00 0.28 -0.07 0.25 -1.72 0.00 0.00 179.24 177.98 1ps1 h LEU 66 N -0.62 0.00 -0.50 1.55 5.85 -0.86 -2.18 115.31 118.55 1ps1 h LEU 66 Ca -0.02 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1ps1 h LEU 66 Cb 0.48 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1ps1 h LEU 66 CO 0.03 0.07 -0.09 0.44 -0.34 0.00 0.00 178.44 178.55 1ps1 h ASP 67 N 0.00 0.94 -0.79 1.25 3.32 -0.85 -1.93 116.42 118.37 1ps1 h ASP 67 Ca -0.00 -0.35 0.10 0.00 0.02 0.00 0.00 57.03 56.80 1ps1 h ASP 67 Cb 0.32 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 1ps1 h ASP 67 CO 0.01 1.07 0.43 0.25 -1.72 0.00 0.00 179.24 179.28 1ps1 h LEU 68 N 0.80 0.59 -0.80 1.55 5.85 -0.63 0.15 115.31 122.82 1ps1 h LEU 68 Ca 0.13 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1ps1 h LEU 68 Cb 0.64 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ps1 h LEU 68 CO 0.04 0.33 -0.46 1.23 -0.34 0.00 0.00 178.44 179.24 1ps1 h GLY 69 N 0.71 0.34 1.03 3.75 0.00 -1.49 -0.28 103.07 107.14 1ps1 h GLY 69 Ca 0.39 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1ps1 h GLY 69 CO -0.27 0.32 -0.11 -2.08 0.00 0.00 0.00 176.54 174.40 1ps1 h VAL 70 N 0.26 1.27 -0.11 4.60 2.07 -0.44 -2.40 116.25 121.50 1ps1 h VAL 70 Ca 0.02 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1ps1 h VAL 70 Cb 0.92 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1ps1 h VAL 70 CO 0.08 0.42 0.06 0.44 0.02 0.00 0.00 177.57 178.59 1ps1 h ASP 71 N 0.72 0.14 -0.27 0.57 3.32 -0.45 -2.59 116.42 117.85 1ps1 h ASP 71 Ca 0.12 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1ps1 h ASP 71 Cb 0.66 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 1ps1 h ASP 71 CO 0.05 0.19 -0.23 0.25 -1.72 0.00 0.00 179.24 177.77 1ps1 h LEU 72 N 0.07 -0.76 -0.78 1.55 5.85 -0.87 0.53 115.31 120.91 1ps1 h LEU 72 Ca 0.04 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1ps1 h LEU 72 Cb 0.09 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1ps1 h LEU 72 CO -0.01 -0.27 0.48 0.24 -0.34 0.00 0.00 178.44 178.55 1ps1 h MET 73 N -0.22 0.88 -0.55 1.25 2.86 -1.37 0.70 114.93 118.47 1ps1 h MET 73 Ca 0.15 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1ps1 h MET 73 Cb 0.45 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1ps1 h MET 73 CO -0.40 0.58 0.18 0.77 1.06 0.00 0.00 176.91 179.10 1ps1 h SER 74 N 0.90 0.79 0.08 1.22 0.02 -0.85 -1.44 113.55 114.27 1ps1 h SER 74 Ca 0.33 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ps1 h SER 74 Cb 0.10 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1ps1 h SER 74 CO -0.14 0.78 -0.04 -0.25 -1.14 0.00 0.00 176.83 176.03 1ps1 h TRP 75 N 0.76 -0.10 -0.64 3.45 7.01 0.24 -1.14 115.95 125.53 1ps1 h TRP 75 Ca 0.18 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.31 1ps1 h TRP 75 Cb 0.26 0.03 -0.10 0.00 -2.10 0.00 0.00 29.16 27.25 1ps1 h TRP 75 CO 0.01 -0.02 0.06 0.74 -2.79 0.00 0.00 178.44 176.45 1ps1 h PHE 76 N -0.16 0.07 -0.01 2.65 0.04 0.57 0.99 116.94 121.09 1ps1 h PHE 76 Ca -0.01 0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.63 1ps1 h PHE 76 Cb 0.13 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1ps1 h PHE 76 CO -0.06 -0.13 -0.78 0.74 -0.60 0.00 0.00 178.31 177.49 1ps1 h PHE 77 N 0.17 0.11 -0.17 -0.55 -1.00 -0.89 -2.36 116.94 112.25 1ps1 h PHE 77 Ca 0.34 -0.06 -0.13 0.00 2.81 0.00 0.00 57.97 60.94 1ps1 h PHE 77 Cb 0.56 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1ps1 h PHE 77 CO -0.32 0.82 -0.39 -0.07 -1.61 0.00 0.00 178.31 176.74 1ps1 h LEU 78 N 0.05 0.64 -0.66 1.54 3.38 -0.35 -2.70 115.31 117.21 1ps1 h LEU 78 Ca -0.02 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.42 1ps1 h LEU 78 Cb 1.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1ps1 h LEU 78 CO 0.11 1.09 0.40 0.15 0.09 0.00 0.00 178.44 180.28 1ps1 h PHE 79 N 0.22 0.75 0.00 1.13 3.57 -0.80 -1.12 116.94 120.70 1ps1 h PHE 79 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1ps1 h PHE 79 Cb 1.00 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1ps1 h PHE 79 CO 0.10 0.42 -0.09 0.22 -2.23 0.00 0.00 178.31 176.72 1ps1 h ASP 80 N 0.78 0.00 -0.10 0.41 3.58 -1.32 -2.09 116.42 117.68 1ps1 h ASP 80 Ca 0.27 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.75 1ps1 h ASP 80 Cb 0.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1ps1 h ASP 80 CO -0.12 0.09 0.10 0.44 -2.88 0.00 0.00 179.24 176.87 1ps1 h ASP 81 N 0.00 0.00 0.88 2.28 3.32 -0.86 -2.75 116.42 119.28 1ps1 h ASP 81 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ps1 h ASP 81 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ps1 h ASP 81 CO 0.01 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.46 1ps1 h LEU 82 N 0.00 0.00 -3.07 1.55 3.38 -1.45 -3.25 115.31 112.47 1ps1 h LEU 82 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ps1 h LEU 82 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ps1 h LEU 82 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1ps1 n PHE 83 N -2.33 0.74 1.58 1.13 3.72 -1.04 -4.43 117.46 116.84 1ps1 n PHE 83 Ca 0.03 -0.67 0.15 0.00 -0.05 0.00 0.00 57.45 56.90 1ps1 n PHE 83 Cb 0.27 -0.17 0.66 0.00 -0.94 0.00 0.00 39.48 39.30 1ps1 n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ps1 n ASP 84 N 0.10 0.68 0.00 4.37 8.00 -1.23 -4.06 116.55 124.42 1ps1 n ASP 84 Ca 0.17 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1ps1 n ASP 84 Cb 0.66 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1ps1 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ps1 n GLY 85 N 1.18 4.07 0.27 0.44 0.00 -1.26 -4.99 105.19 104.90 1ps1 n GLY 85 Ca 0.18 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 -0.09 1.61 0.11 -1.93 -2.52 132.00 129.18 1ps1 h PRO 86 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 1ps1 h PRO 86 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ps1 h PRO 86 CO 0.00 0.05 0.13 -0.09 -0.21 0.00 0.00 178.00 177.89 1ps1 h ARG 87 N 0.00 0.00 0.00 1.05 2.43 -1.89 -1.67 114.38 114.30 1ps1 h ARG 87 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ps1 h ARG 87 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1ps1 h ARG 87 CO 0.01 0.00 0.00 0.78 -1.51 0.00 0.00 179.97 179.25 1ps1 h GLY 88 N 0.00 0.00 -3.07 2.80 0.00 -1.59 -3.21 103.07 98.00 1ps1 h GLY 88 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.16 1ps1 h GLY 88 CO -0.00 0.00 0.21 1.18 0.00 0.00 0.00 176.54 177.93 1ps1 n GLU 89 N -2.63 3.06 -3.65 4.80 1.02 -0.63 -4.21 120.64 118.39 1ps1 n GLU 89 Ca 0.05 -3.06 -0.18 0.00 -0.02 0.00 0.00 57.16 53.95 1ps1 n GLU 89 Cb 0.47 -2.08 -0.16 0.00 -0.02 0.00 0.00 31.44 29.65 1ps1 n GLU 89 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1ps1 s ASN 90 N -1.51 0.93 0.46 1.62 3.84 -1.23 -4.77 114.94 114.28 1ps1 s ASN 90 Ca 0.51 0.21 0.14 0.00 0.21 0.00 0.00 52.86 53.93 1ps1 s ASN 90 Cb 0.42 0.19 1.03 0.00 -0.55 0.00 0.00 41.25 42.34 1ps1 s ASN 90 CO 0.10 -0.26 2.03 -0.65 -2.79 0.00 0.00 177.10 175.53 1ps1 h PRO 91 N 8.38 0.07 0.01 0.43 0.11 -1.85 -1.06 132.00 138.08 1ps1 h PRO 91 Ca -0.13 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1ps1 h PRO 91 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ps1 h PRO 91 CO 0.16 0.17 -0.01 1.49 -0.21 0.00 0.00 178.00 179.60 1ps1 h GLU 92 N 0.07 -0.02 -0.61 1.05 4.22 -1.95 -2.17 114.58 115.17 1ps1 h GLU 92 Ca 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1ps1 h GLU 92 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1ps1 h GLU 92 CO 0.01 0.74 0.21 -0.44 -2.18 0.00 0.00 179.01 177.36 1ps1 h ASP 93 N -0.85 0.84 0.22 1.04 3.32 -1.81 0.30 116.42 119.49 1ps1 h ASP 93 Ca -0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ps1 h ASP 93 Cb 0.77 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1ps1 h ASP 93 CO 0.00 0.77 -0.11 0.74 -1.72 0.00 0.00 179.24 178.93 1ps1 h THR 94 N 0.89 0.85 -0.22 0.35 2.02 -1.19 -3.00 112.91 112.61 1ps1 h THR 94 Ca 0.20 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ps1 h THR 94 Cb 0.22 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1ps1 h THR 94 CO -0.01 0.11 0.14 0.50 0.37 0.00 0.00 175.52 176.63 1ps1 h LYS 95 N -0.56 0.30 -0.66 6.66 3.64 -1.18 -1.70 116.57 123.06 1ps1 h LYS 95 Ca -0.03 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1ps1 h LYS 95 Cb 0.41 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 1ps1 h LYS 95 CO 0.05 0.21 0.11 0.37 -2.27 0.00 0.00 179.45 177.92 1ps1 h GLN 96 N 0.30 0.22 0.06 1.90 5.75 -0.79 -0.43 115.11 122.13 1ps1 h GLN 96 Ca 0.08 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.45 1ps1 h GLN 96 Cb -0.02 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.50 1ps1 h GLN 96 CO -0.02 0.15 -0.51 1.25 -2.65 0.00 0.00 178.83 177.05 1ps1 h LEU 97 N 0.23 0.34 -0.72 -2.39 5.85 -1.30 -3.32 115.31 113.99 1ps1 h LEU 97 Ca 0.35 -0.90 0.10 0.00 0.84 0.00 0.00 57.88 58.27 1ps1 h LEU 97 Cb 0.57 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.38 1ps1 h LEU 97 CO -0.48 1.21 -0.47 0.74 -0.34 0.00 0.00 178.44 179.10 1ps1 h THR 98 N -0.48 0.05 -0.98 1.05 2.02 -0.97 -1.40 112.91 112.20 1ps1 h THR 98 Ca -0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1ps1 h THR 98 Cb 1.34 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1ps1 h THR 98 CO 0.10 0.00 0.63 0.44 0.37 0.00 0.00 175.52 177.06 1ps1 h ASP 99 N -0.16 0.99 -0.27 4.18 3.32 -1.22 0.35 116.42 123.62 1ps1 h ASP 99 Ca 0.20 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1ps1 h ASP 99 Cb 0.54 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1ps1 h ASP 99 CO -0.78 0.63 -0.15 1.56 -1.72 0.00 0.00 179.24 178.78 1ps1 h GLN 100 N 1.12 0.57 0.33 3.56 4.20 -1.39 0.01 115.11 123.51 1ps1 h GLN 100 Ca 0.43 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1ps1 h GLN 100 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ps1 h GLN 100 CO -0.17 0.82 -0.16 0.28 -0.67 0.00 0.00 178.83 178.94 1ps1 h VAL 101 N 0.30 0.66 -0.94 -0.54 2.07 -0.92 -3.07 116.25 113.80 1ps1 h VAL 101 Ca 0.06 -0.57 0.27 0.00 0.82 0.00 0.00 66.70 67.28 1ps1 h VAL 101 Cb 0.66 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1ps1 h VAL 101 CO 0.04 0.11 0.74 0.00 0.02 0.00 0.00 177.57 178.48 1ps1 h ALA 102 N -0.25 2.84 -0.85 1.67 0.00 -0.28 -0.99 119.26 121.41 1ps1 h ALA 102 Ca -0.04 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.06 1ps1 h ALA 102 Cb 0.51 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1ps1 h ALA 102 CO 0.07 -1.22 0.59 0.00 0.00 0.00 0.00 179.25 178.69 1ps1 h ALA 103 N 1.41 2.60 0.00 0.00 0.00 -0.88 -2.18 119.26 120.20 1ps1 h ALA 103 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ps1 h ALA 103 Cb 1.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ps1 h ALA 103 CO -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 179.25 178.40 1ps1 n ALA 104 N -2.64 1.28 0.15 0.00 0.00 -0.38 -2.07 120.51 116.85 1ps1 n ALA 104 Ca 0.18 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.67 1ps1 n ALA 104 Cb 0.83 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 19.18 1ps1 n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ps1 h LEU 105 N 0.00 0.00 -1.12 0.00 3.38 -1.64 -3.31 115.31 112.62 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 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ps1 h LEU 105 CO 0.00 0.45 -0.13 0.47 0.09 0.00 0.00 178.44 179.32 1ps1 n ASP 106 N -3.22 1.86 0.00 -0.43 8.00 -0.88 -5.05 116.55 116.84 1ps1 n ASP 106 Ca 0.02 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.02 1ps1 n ASP 106 Cb 0.71 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.29 0.00 3.75 0.44 0.00 -1.25 -5.14 105.19 104.29 1ps1 n GLY 107 Ca 0.15 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.89 2.99 0.07 1.61 0.04 -1.26 -4.39 135.00 132.18 1ps1 s PRO 108 Ca 0.00 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1ps1 s PRO 108 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1ps1 s PRO 108 CO 0.00 -1.22 0.21 -0.51 0.04 0.00 0.00 177.00 175.51 1ps1 s LEU 109 N -3.93 4.30 0.58 -3.56 1.43 -1.26 -4.96 118.68 111.28 1ps1 s LEU 109 Ca 0.76 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.90 1ps1 s LEU 109 Cb -0.34 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1ps1 s LEU 109 CO 0.37 0.15 1.19 -2.16 0.23 0.00 0.00 176.35 176.14 1ps1 s PRO 110 N -2.60 3.07 0.12 1.29 0.04 -1.26 -4.88 135.00 130.78 1ps1 s PRO 110 Ca 0.34 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1ps1 s PRO 110 Cb -0.13 -1.95 0.40 0.00 0.04 0.00 0.00 34.50 32.86 1ps1 s PRO 110 CO 0.28 -1.12 1.19 -0.25 0.04 0.00 0.00 177.00 177.14 1ps1 n ASP 111 N -1.51 0.19 -1.13 6.66 8.00 -1.26 -1.91 116.55 125.59 1ps1 n ASP 111 Ca 0.13 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.31 1ps1 n ASP 111 Cb 0.50 -0.58 0.24 0.00 -0.02 0.00 0.00 41.12 41.26 1ps1 n ASP 111 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ps1 n THR 112 N -1.74 0.52 -2.59 -3.53 -2.24 -1.26 -4.97 114.28 98.48 1ps1 n THR 112 Ca -0.00 -0.74 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 1ps1 n THR 112 Cb 0.05 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.48 3.24 0.76 6.98 0.00 -0.80 -4.99 121.76 125.47 1ps1 s ALA 113 Ca 0.39 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 1ps1 s ALA 113 Cb 0.23 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1ps1 s ALA 113 CO 0.31 -0.08 0.99 -0.35 0.00 0.00 0.00 175.76 176.64 1ps1 n PRO 114 N 0.63 0.37 -0.19 0.00 -0.04 -1.26 -4.68 135.00 129.83 1ps1 n PRO 114 Ca 0.02 0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.65 1ps1 n PRO 114 Cb 0.48 -2.25 0.05 0.00 -0.04 0.00 0.00 33.50 31.74 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 -0.51 0.00 -1.10 0.54 0.11 -1.94 -1.31 132.00 127.79 1ps1 h PRO 115 Ca -0.47 -0.00 0.30 0.00 0.11 0.00 0.00 66.00 65.94 1ps1 h PRO 115 Cb 1.32 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 1ps1 h PRO 115 CO 0.46 0.00 0.72 0.97 -0.21 0.00 0.00 178.00 179.94 1ps1 h ILE 116 N 0.00 0.45 0.13 4.15 6.09 -1.90 1.02 117.51 127.46 1ps1 h ILE 116 Ca 0.28 -0.10 -0.28 0.00 -1.37 0.00 0.00 64.86 63.39 1ps1 h ILE 116 Cb 0.43 0.14 0.01 0.00 0.47 0.00 0.00 36.82 37.87 1ps1 h ILE 116 CO -0.59 0.05 -1.24 0.00 -3.07 0.00 0.00 178.15 173.29 1ps1 h ALA 117 N 1.58 0.08 -0.04 0.18 0.00 -1.59 -1.95 119.26 117.52 1ps1 h ALA 117 Ca 0.62 -0.85 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1ps1 h ALA 117 Cb 1.77 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1ps1 h ALA 117 CO -0.26 0.88 -0.73 0.45 0.00 0.00 0.00 179.25 179.59 1ps1 h HIS 118 N 0.12 0.30 -0.26 0.00 3.86 0.12 -1.65 115.15 117.64 1ps1 h HIS 118 Ca -0.15 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 1ps1 h HIS 118 Cb 1.95 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.37 1ps1 h HIS 118 CO 0.08 0.87 -0.06 0.78 0.86 0.00 0.00 177.93 180.46 1ps1 h GLY 119 N 1.64 0.54 0.68 2.45 0.00 0.40 -2.02 103.07 106.77 1ps1 h GLY 119 Ca -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1ps1 h GLY 119 CO 0.11 0.41 -0.12 -2.75 0.00 0.00 0.00 176.54 174.19 1ps1 h PHE 120 N 0.25 -0.31 -0.59 5.60 3.04 -1.16 -2.71 116.94 121.07 1ps1 h PHE 120 Ca 0.07 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.15 1ps1 h PHE 120 Cb 0.53 0.14 -0.10 0.00 2.56 0.00 0.00 35.95 39.07 1ps1 h PHE 120 CO 0.05 -0.18 -0.06 0.00 -2.02 0.00 0.00 178.31 176.09 1ps1 h ALA 121 N 0.78 0.49 -1.00 2.41 0.00 -1.12 0.12 119.26 120.93 1ps1 h ALA 121 Ca 0.05 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1ps1 h ALA 121 Cb 0.26 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1ps1 h ALA 121 CO -0.13 -0.41 0.64 0.22 0.00 0.00 0.00 179.25 179.57 1ps1 h ASP 122 N 0.06 1.02 -0.16 0.00 3.58 -1.18 0.13 116.42 119.88 1ps1 h ASP 122 Ca 0.30 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.72 1ps1 h ASP 122 Cb 0.47 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1ps1 h ASP 122 CO -0.55 0.64 -0.04 0.40 -2.88 0.00 0.00 179.24 176.81 1ps1 h ILE 123 N 1.15 1.29 -0.35 2.25 2.04 -0.55 -2.53 117.51 120.81 1ps1 h ILE 123 Ca 0.44 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1ps1 h ILE 123 Cb 0.20 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1ps1 h ILE 123 CO -0.18 0.30 0.02 -0.25 0.00 0.00 0.00 178.15 178.04 1ps1 h TRP 124 N 0.00 0.55 -0.01 1.37 -0.00 -0.60 0.38 115.95 117.64 1ps1 h TRP 124 Ca 0.04 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.91 1ps1 h TRP 124 Cb 0.48 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 29.44 1ps1 h TRP 124 CO 0.05 0.52 -0.18 -0.09 -0.00 0.00 0.00 178.44 178.74 1ps1 h ARG 125 N 0.52 -0.28 -0.24 2.65 2.43 -0.63 -2.72 114.38 116.11 1ps1 h ARG 125 Ca 0.11 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1ps1 h ARG 125 Cb 0.30 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ps1 h ARG 125 CO 0.01 -0.19 -0.11 0.00 -1.51 0.00 0.00 179.97 178.17 1ps1 h ARG 126 N -0.29 0.50 -0.68 0.20 3.08 -0.93 -2.94 114.38 113.32 1ps1 h ARG 126 Ca 0.06 -0.22 0.14 0.00 0.07 0.00 0.00 59.98 60.03 1ps1 h ARG 126 Cb 0.37 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 1ps1 h ARG 126 CO -0.18 0.76 0.13 1.15 -1.07 0.00 0.00 179.97 180.76 1ps1 h THR 127 N 0.22 0.54 0.00 2.04 2.02 -0.15 -2.58 112.91 115.00 1ps1 h THR 127 Ca 0.05 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1ps1 h THR 127 Cb 0.61 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1ps1 h THR 127 CO 0.03 0.04 -0.65 0.00 0.37 0.00 0.00 175.52 175.32 1ps1 s GLU 129 N -2.97 3.70 0.00 0.00 2.56 -0.97 -1.21 118.70 119.81 1ps1 s GLU 129 Ca 0.03 2.28 0.00 0.00 0.00 0.00 0.00 54.97 57.28 1ps1 s GLU 129 Cb 0.08 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.97 1ps1 s GLU 129 CO 0.76 -1.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.42 1ps1 n GLY 130 N 5.04 1.56 3.88 -1.50 0.00 -1.26 -5.02 105.19 107.88 1ps1 n GLY 130 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.37 3.13 0.48 1.61 -1.94 -0.35 -5.09 119.30 116.77 1ps1 s MET 131 Ca 0.00 -0.91 -0.20 0.00 -1.71 0.00 0.00 55.69 52.87 1ps1 s MET 131 Cb 0.00 -2.71 -0.09 0.00 2.01 0.00 0.00 34.83 34.05 1ps1 s MET 131 CO 0.00 0.42 1.03 0.95 -0.01 0.00 0.00 175.02 177.41 1ps1 s THR 132 N -2.03 3.85 0.45 2.05 -4.23 -1.26 -4.87 115.64 109.60 1ps1 s THR 132 Ca 0.33 1.14 0.24 0.00 -1.18 0.00 0.00 61.69 62.22 1ps1 s THR 132 Cb -0.09 -3.46 0.44 0.00 1.34 0.00 0.00 72.50 70.73 1ps1 s THR 132 CO 0.26 -0.26 1.81 -0.65 -0.54 0.00 0.00 174.62 175.24 1ps1 h PRO 133 N 1.55 0.25 -0.01 3.99 0.11 -1.98 -0.21 132.00 135.70 1ps1 h PRO 133 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ps1 h PRO 133 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ps1 h PRO 133 CO 0.59 0.16 -0.01 0.00 -0.21 0.00 0.00 178.00 178.54 1ps1 h ALA 134 N 1.56 0.01 -0.43 -0.75 0.00 -2.01 -3.02 119.26 114.63 1ps1 h ALA 134 Ca 0.54 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1ps1 h ALA 134 Cb 1.64 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1ps1 h ALA 134 CO -0.17 -0.24 0.22 2.35 0.00 0.00 0.00 179.25 181.40 1ps1 h TRP 135 N -0.45 0.40 -0.86 0.00 7.01 -1.46 -2.23 115.95 118.37 1ps1 h TRP 135 Ca 0.00 0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.22 1ps1 h TRP 135 Cb 0.48 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.37 1ps1 h TRP 135 CO 0.09 0.21 0.58 0.00 -2.79 0.00 0.00 178.44 176.53 1ps1 h ALA 137 N 1.61 -0.09 0.00 0.00 0.00 -1.27 -2.97 119.26 116.54 1ps1 h ALA 137 Ca 0.44 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ps1 h ALA 137 Cb 1.21 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ps1 h ALA 137 CO -0.14 0.55 -0.07 -0.09 0.00 0.00 0.00 179.25 179.51 1ps1 h ARG 138 N -0.16 0.00 0.13 0.00 2.43 -1.11 -0.16 114.38 115.51 1ps1 h ARG 138 Ca -0.21 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.79 1ps1 h ARG 138 Cb 1.86 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.43 1ps1 h ARG 138 CO 0.19 0.07 -0.75 0.77 -1.51 0.00 0.00 179.97 178.74 1ps1 h SER 139 N 0.00 0.43 -0.71 -3.80 0.02 -1.53 -3.16 113.55 104.80 1ps1 h SER 139 Ca -0.00 -0.96 -0.05 0.00 -0.84 0.00 0.00 61.79 59.94 1ps1 h SER 139 Cb 0.19 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1ps1 h SER 139 CO 0.01 1.36 0.26 0.00 -1.14 0.00 0.00 176.83 177.32 1ps1 h ALA 140 N 0.07 0.93 -0.92 3.77 0.00 -1.28 -0.69 119.26 121.14 1ps1 h ALA 140 Ca -0.13 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.73 1ps1 h ALA 140 Cb 1.59 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1ps1 h ALA 140 CO 0.14 0.57 0.52 -0.09 0.00 0.00 0.00 179.25 180.40 1ps1 h ARG 141 N 1.03 0.72 -0.26 0.00 2.43 -1.15 -1.39 114.38 115.76 1ps1 h ARG 141 Ca 0.23 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1ps1 h ARG 141 Cb 0.25 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ps1 h ARG 141 CO -0.01 0.48 -0.24 0.45 -1.51 0.00 0.00 179.97 179.13 1ps1 h HIS 142 N 0.75 0.75 -0.72 2.20 3.86 -1.22 -2.62 115.15 118.15 1ps1 h HIS 142 Ca 0.50 -0.22 0.08 0.00 -1.16 0.00 0.00 60.37 59.57 1ps1 h HIS 142 Cb 0.67 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 1ps1 h HIS 142 CO -0.05 0.94 0.47 -1.49 0.86 0.00 0.00 177.93 178.66 1ps1 h TRP 143 N 0.36 0.71 -0.43 2.45 -0.00 -0.20 -2.03 115.95 116.80 1ps1 h TRP 143 Ca 0.04 0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.86 1ps1 h TRP 143 Cb 0.80 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.71 1ps1 h TRP 143 CO 0.07 0.35 -0.13 0.00 -0.00 0.00 0.00 178.44 178.74 1ps1 h ARG 144 N 0.68 0.79 -0.03 0.49 3.08 -0.91 -0.82 114.38 117.66 1ps1 h ARG 144 Ca 0.32 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1ps1 h ARG 144 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1ps1 h ARG 144 CO -0.11 0.88 -0.38 -0.91 -1.07 0.00 0.00 179.97 178.38 1ps1 h ASN 145 N 0.71 0.05 0.80 7.04 -0.26 -1.23 0.19 115.58 122.89 1ps1 h ASN 145 Ca 0.12 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 1ps1 h ASN 145 Cb 0.62 -0.01 0.01 0.00 -1.06 0.00 0.00 38.32 37.87 1ps1 h ASN 145 CO 0.04 0.43 -0.38 0.22 -1.06 0.00 0.00 177.43 176.68 1ps1 h TYR 146 N 0.04 -1.00 -0.84 1.19 3.20 -0.80 0.21 116.97 118.98 1ps1 h TYR 146 Ca 0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1ps1 h TYR 146 Cb 0.70 0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 1ps1 h TYR 146 CO 0.00 -0.61 0.52 0.74 -1.64 0.00 0.00 178.16 177.18 1ps1 h PHE 147 N -1.16 0.97 -0.03 -3.82 0.04 -0.91 -1.01 116.94 111.02 1ps1 h PHE 147 Ca -0.11 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 1ps1 h PHE 147 Cb 0.84 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1ps1 h PHE 147 CO -0.01 0.50 -0.44 -0.44 -0.60 0.00 0.00 178.31 177.32 1ps1 h ASP 148 N 0.97 0.07 -0.66 2.17 3.32 -0.57 -2.72 116.42 119.00 1ps1 h ASP 148 Ca 0.36 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1ps1 h ASP 148 Cb 0.14 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1ps1 h ASP 148 CO -0.16 0.51 0.38 1.23 -1.72 0.00 0.00 179.24 179.48 1ps1 h GLY 149 N 1.33 0.99 1.00 2.75 0.00 0.79 -1.28 103.07 108.65 1ps1 h GLY 149 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1ps1 h GLY 149 CO 0.06 0.41 0.08 -0.97 0.00 0.00 0.00 176.54 176.12 1ps1 h TYR 150 N 0.94 0.94 0.06 5.60 -1.99 -1.15 0.24 116.97 121.61 1ps1 h TYR 150 Ca 0.24 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1ps1 h TYR 150 Cb 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.47 1ps1 h TYR 150 CO 0.00 0.84 -0.03 0.28 -0.00 0.00 0.00 178.16 179.26 1ps1 h VAL 151 N 0.76 1.11 -0.29 -2.88 2.07 -1.46 0.61 116.25 116.17 1ps1 h VAL 151 Ca 0.16 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1ps1 h VAL 151 Cb 0.41 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1ps1 h VAL 151 CO 0.01 0.14 0.21 0.44 0.02 0.00 0.00 177.57 178.39 1ps1 h ASP 152 N -0.34 0.06 -0.08 0.57 3.32 -1.14 0.24 116.42 119.05 1ps1 h ASP 152 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1ps1 h ASP 152 Cb 0.30 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ps1 h ASP 152 CO 0.01 0.04 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.18 1ps1 h GLU 153 N 0.06 0.34 -0.00 3.56 4.81 -0.24 -2.90 114.58 120.22 1ps1 h GLU 153 Ca 0.14 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1ps1 h GLU 153 Cb 0.47 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1ps1 h GLU 153 CO -0.01 0.91 -0.22 0.00 -0.73 0.00 0.00 179.01 178.96 1ps1 h ALA 154 N 0.44 1.64 -1.00 2.92 0.00 0.56 -2.50 119.26 121.32 1ps1 h ALA 154 Ca -0.02 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.97 1ps1 h ALA 154 Cb 0.96 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1ps1 h ALA 154 CO 0.07 0.27 0.69 1.49 0.00 0.00 0.00 179.25 181.77 1ps1 h GLU 155 N 0.00 0.16 -0.99 0.00 4.57 -0.37 -2.73 114.58 115.22 1ps1 h GLU 155 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1ps1 h GLU 155 Cb 0.38 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1ps1 h GLU 155 CO 0.03 0.11 0.01 0.43 -1.18 0.00 0.00 179.01 178.41 1ps1 n SER 156 N -4.38 2.09 0.00 1.04 7.64 -0.94 -4.98 113.62 114.09 1ps1 n SER 156 Ca 0.22 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1ps1 n SER 156 Cb 0.97 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.22 0.00 -2.07 1.43 5.12 -1.03 -5.16 116.66 115.17 1ps1 n ARG 157 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1ps1 n ARG 157 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 1ps1 n ARG 157 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ps1 n SER 165 N 3.92 -8.47 0.15 0.55 2.88 -1.26 -4.82 113.62 106.58 1ps1 n SER 165 Ca 0.00 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 59.03 1ps1 n SER 165 Cb 0.00 -4.66 0.23 0.00 -0.75 0.00 0.00 64.21 59.04 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 3.76 1.07 -0.10 -1.46 0.00 -1.97 -3.01 119.26 117.55 1ps1 h ALA 166 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1ps1 h ALA 166 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ps1 h ALA 166 CO 0.00 0.67 -0.74 0.00 0.00 0.00 0.00 179.25 179.18 1ps1 h ALA 167 N 1.47 0.23 -0.50 0.00 0.00 -2.02 -2.65 119.26 115.80 1ps1 h ALA 167 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.38 1ps1 h ALA 167 Cb 0.97 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1ps1 h ALA 167 CO 0.07 0.58 0.19 0.37 0.00 0.00 0.00 179.25 180.46 1ps1 h GLN 168 N 0.36 0.37 -0.38 0.00 4.15 -1.98 -1.40 115.11 116.23 1ps1 h GLN 168 Ca -0.06 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1ps1 h GLN 168 Cb 1.38 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1ps1 h GLN 168 CO 0.15 0.24 0.24 -0.92 -1.93 0.00 0.00 178.83 176.61 1ps1 h TYR 169 N 0.38 0.49 -0.74 3.99 3.20 -1.55 -2.36 116.97 120.37 1ps1 h TYR 169 Ca 0.23 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 1ps1 h TYR 169 Cb 0.23 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1ps1 h TYR 169 CO -0.15 0.33 0.24 -0.07 -1.64 0.00 0.00 178.16 176.87 1ps1 h LEU 170 N 0.50 1.08 0.31 2.82 3.38 -1.08 0.11 115.31 122.43 1ps1 h LEU 170 Ca 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ps1 h LEU 170 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1ps1 h LEU 170 CO -0.03 1.00 -0.27 0.00 0.09 0.00 0.00 178.44 179.23 1ps1 h ALA 171 N 1.12 -0.58 0.23 1.53 0.00 -1.02 0.25 119.26 120.79 1ps1 h ALA 171 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ps1 h ALA 171 Cb 0.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ps1 h ALA 171 CO -0.01 -0.85 -0.11 0.52 0.00 0.00 0.00 179.25 178.80 1ps1 h MET 172 N -0.59 -0.30 -0.41 0.00 2.86 -1.30 -3.09 114.93 112.10 1ps1 h MET 172 Ca -0.02 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1ps1 h MET 172 Cb 0.53 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1ps1 h MET 172 CO -0.03 -0.07 0.28 0.00 1.06 0.00 0.00 176.91 178.15 1ps1 h ARG 173 N -0.49 0.27 -0.58 1.72 2.47 -0.73 -1.97 114.38 115.09 1ps1 h ARG 173 Ca -0.03 -0.02 0.17 0.00 -1.26 0.00 0.00 59.98 58.84 1ps1 h ARG 173 Cb 0.36 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1ps1 h ARG 173 CO 0.05 0.18 0.43 0.00 0.56 0.00 0.00 179.97 181.20 1ps1 h ARG 174 N 0.28 0.00 0.00 0.04 3.08 -0.41 -2.44 114.38 114.93 1ps1 h ARG 174 Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1ps1 h ARG 174 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1ps1 h ARG 174 CO -0.04 0.00 -0.52 0.45 -1.07 0.00 0.00 179.97 178.79 1ps1 h HIS 175 N 0.00 0.00 0.00 3.04 3.86 -1.49 -3.36 115.15 117.20 1ps1 h HIS 175 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1ps1 h HIS 175 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1ps1 h HIS 175 CO 0.00 0.97 0.00 0.25 0.86 0.00 0.00 177.93 180.01 1ps1 n THR 176 N -4.56 1.19 0.20 2.45 -2.24 -1.11 -3.48 114.28 106.73 1ps1 n THR 176 Ca -0.17 0.41 0.04 0.00 -2.27 0.00 0.00 64.05 62.07 1ps1 n THR 176 Cb 0.48 -1.33 0.43 0.00 -2.10 0.00 0.00 70.33 67.82 1ps1 n THR 176 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ps1 h ILE 177 N 0.00 1.15 0.00 2.28 6.09 -1.59 -3.47 117.51 121.97 1ps1 h ILE 177 Ca 0.00 -1.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.46 1ps1 h ILE 177 Cb 0.17 1.56 0.00 0.00 0.47 0.00 0.00 36.82 39.02 1ps1 h ILE 177 CO 0.00 0.29 0.00 0.61 -3.07 0.00 0.00 178.15 175.98 1ps1 n GLY 178 N -0.62 0.92 0.11 8.18 0.00 -1.23 -4.96 105.19 107.60 1ps1 n GLY 178 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.82 -0.05 1.61 2.07 -1.88 -2.60 116.25 116.22 1ps1 h VAL 179 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1ps1 h VAL 179 Cb 0.00 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1ps1 h VAL 179 CO 0.00 0.00 -0.25 -0.61 0.02 0.00 0.00 177.57 176.73 1ps1 h GLN 180 N -0.12 -0.35 0.00 1.57 5.75 -1.92 0.92 115.11 120.96 1ps1 h GLN 180 Ca 0.03 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1ps1 h GLN 180 Cb 0.16 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1ps1 h GLN 180 CO -0.08 -0.23 -0.05 -1.35 -2.65 0.00 0.00 178.83 174.47 1ps1 h PRO 181 N -0.36 0.00 -0.03 -2.39 0.11 -1.91 0.78 132.00 128.19 1ps1 h PRO 181 Ca 0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ps1 h PRO 181 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1ps1 h PRO 181 CO -0.26 0.05 0.01 1.15 -0.21 0.00 0.00 178.00 178.74 1ps1 h THR 182 N 0.00 1.15 -0.49 -1.15 2.02 -0.59 -2.11 112.91 111.73 1ps1 h THR 182 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ps1 h THR 182 Cb 0.10 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1ps1 h THR 182 CO 0.01 0.12 0.32 0.58 0.37 0.00 0.00 175.52 176.91 1ps1 h VAL 183 N -0.13 1.14 -0.72 3.16 2.07 0.15 -2.18 116.25 119.74 1ps1 h VAL 183 Ca 0.01 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.37 1ps1 h VAL 183 Cb 0.18 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1ps1 h VAL 183 CO -0.00 0.14 0.31 0.44 0.02 0.00 0.00 177.57 178.47 1ps1 h ASP 184 N 0.67 0.33 -0.85 0.57 3.32 -0.75 -0.35 116.42 119.34 1ps1 h ASP 184 Ca 0.18 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.38 1ps1 h ASP 184 Cb -0.05 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1ps1 h ASP 184 CO -0.04 0.15 0.56 0.25 -1.72 0.00 0.00 179.24 178.44 1ps1 h LEU 185 N 0.48 0.85 -1.50 1.55 6.46 -0.74 0.56 115.31 122.97 1ps1 h LEU 185 Ca 0.38 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.24 1ps1 h LEU 185 Cb 0.52 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1ps1 h LEU 185 CO -0.35 0.55 0.46 0.00 -0.62 0.00 0.00 178.44 178.48 1ps1 h ALA 186 N 1.53 1.90 -0.26 1.25 0.00 -0.82 0.38 119.26 123.25 1ps1 h ALA 186 Ca 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1ps1 h ALA 186 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ps1 h ALA 186 CO -0.13 -0.05 -0.03 0.93 0.00 0.00 0.00 179.25 179.97 1ps1 h GLU 187 N 0.55 0.48 -0.50 0.00 5.08 -0.84 -1.09 114.58 118.26 1ps1 h GLU 187 Ca 0.32 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1ps1 h GLU 187 Cb 0.51 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ps1 h GLU 187 CO -0.11 0.67 0.12 -0.09 -1.00 0.00 0.00 179.01 178.61 1ps1 h ARG 188 N 0.24 0.75 -0.19 2.33 9.65 -0.76 0.12 114.38 126.52 1ps1 h ARG 188 Ca 0.07 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 1ps1 h ARG 188 Cb 0.48 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1ps1 h ARG 188 CO 0.02 0.68 -0.11 0.00 2.80 0.00 0.00 179.97 183.36 1ps1 h ALA 189 N 1.41 0.26 0.00 2.80 0.00 -0.17 -2.89 119.26 120.67 1ps1 h ALA 189 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ps1 h ALA 189 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ps1 h ALA 189 CO -0.00 0.11 -0.06 0.78 0.00 0.00 0.00 179.25 180.08 1ps1 h GLY 190 N 0.08 0.00 -4.15 0.00 0.00 -1.00 -3.46 103.07 94.54 1ps1 h GLY 190 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 1ps1 h GLY 190 CO 0.03 0.00 -0.45 0.54 0.00 0.00 0.00 176.54 176.66 1ps1 n ARG 191 N -3.15 -4.90 -4.04 4.80 1.74 0.40 -5.05 116.66 106.46 1ps1 n ARG 191 Ca 0.01 0.53 -0.11 0.00 -0.77 0.00 0.00 57.85 57.52 1ps1 n ARG 191 Cb 0.39 -4.66 -0.11 0.00 -1.02 0.00 0.00 32.46 27.07 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 -3.21 0.51 -0.16 -1.55 -0.12 -1.11 -5.06 117.98 107.29 1ps1 s PHE 192 Ca 0.29 -0.57 -0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1ps1 s PHE 192 Cb -0.13 -0.32 0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1ps1 s PHE 192 CO 0.47 -0.15 -0.06 -1.21 -0.05 0.00 0.00 175.22 174.22 1ps1 s GLU 193 N -1.82 1.47 0.32 1.99 2.02 -1.26 -4.62 118.70 116.80 1ps1 s GLU 193 Ca -0.10 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 1ps1 s GLU 193 Cb -0.08 -1.93 -0.12 0.00 0.10 0.00 0.00 34.13 32.10 1ps1 s GLU 193 CO -0.01 -0.40 1.46 1.55 0.02 0.00 0.00 175.26 177.88 1ps1 n VAL 194 N 4.88 1.55 -1.70 2.63 3.14 -1.26 -4.79 118.33 122.78 1ps1 n VAL 194 Ca -0.12 -0.39 -0.56 0.00 -2.96 0.00 0.00 64.34 60.31 1ps1 n VAL 194 Cb 0.48 -1.79 -0.07 0.00 -1.06 0.00 0.00 33.84 31.40 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 1.22 1.33 -0.22 1.45 -0.02 -1.26 -4.85 135.00 132.65 1ps1 n PRO 195 Ca 0.06 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 62.05 1ps1 n PRO 195 Cb 0.36 -2.21 0.14 0.00 -0.02 0.00 0.00 33.50 31.77 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 7.74 0.30 -0.12 6.00 3.86 -2.01 -1.09 115.15 129.82 1ps1 h HIS 196 Ca -0.46 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 58.82 1ps1 h HIS 196 Cb 1.31 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.74 1ps1 h HIS 196 CO 0.80 -0.01 0.12 0.07 0.86 0.00 0.00 177.93 179.77 1ps1 h ARG 197 N 0.32 0.00 0.10 2.45 0.11 -2.01 -1.09 114.38 114.25 1ps1 h ARG 197 Ca 0.35 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.15 1ps1 h ARG 197 Cb 0.53 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.63 1ps1 h ARG 197 CO -0.41 0.00 -1.19 0.28 0.10 0.00 0.00 179.97 178.75 1ps1 h VAL 198 N 0.00 1.33 -0.98 0.08 2.07 -1.58 -3.22 116.25 113.95 1ps1 h VAL 198 Ca 0.06 -2.52 0.15 0.00 0.82 0.00 0.00 66.70 65.21 1ps1 h VAL 198 Cb 0.30 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 32.65 1ps1 h VAL 198 CO -0.00 0.76 0.61 0.15 0.02 0.00 0.00 177.57 179.11 1ps1 h PHE 199 N 0.25 1.04 -0.11 1.57 3.04 -0.83 -0.58 116.94 121.32 1ps1 h PHE 199 Ca -0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.82 1ps1 h PHE 199 Cb 1.86 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 40.05 1ps1 h PHE 199 CO 0.10 0.35 0.00 -0.25 -2.02 0.00 0.00 178.31 176.49 1ps1 n ASP 200 N -4.64 0.64 -4.78 0.41 8.00 -1.18 -4.34 116.55 110.66 1ps1 n ASP 200 Ca 0.20 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.43 1ps1 n ASP 200 Cb 0.45 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.11 6.95 0.42 -2.24 1.04 -0.23 -4.92 113.70 113.62 1ps1 s SER 201 Ca 0.12 1.97 0.16 0.00 0.48 0.00 0.00 55.95 58.69 1ps1 s SER 201 Cb 0.06 -2.58 1.04 0.00 0.10 0.00 0.00 66.02 64.64 1ps1 s SER 201 CO 0.09 -0.35 1.89 0.00 0.98 0.00 0.00 173.24 175.85 1ps1 h ALA 202 N 2.72 2.12 0.08 5.32 0.00 -1.89 -0.68 119.26 126.93 1ps1 h ALA 202 Ca -0.48 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ps1 h ALA 202 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ps1 h ALA 202 CO 0.63 -0.36 -0.04 0.28 0.00 0.00 0.00 179.25 179.77 1ps1 h VAL 203 N 0.44 1.18 -0.71 0.00 2.07 -1.92 -2.33 116.25 114.97 1ps1 h VAL 203 Ca 0.41 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1ps1 h VAL 203 Cb 0.95 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1ps1 h VAL 203 CO -0.15 0.29 0.23 -0.03 0.02 0.00 0.00 177.57 177.94 1ps1 h MET 204 N -0.71 1.10 0.00 1.57 -1.53 -1.66 -1.89 114.93 111.82 1ps1 h MET 204 Ca -0.01 -0.23 -0.03 0.00 -3.44 0.00 0.00 59.70 55.98 1ps1 h MET 204 Cb 0.56 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.44 1ps1 h MET 204 CO 0.02 0.94 -0.16 0.66 0.14 0.00 0.00 176.91 178.51 1ps1 h SER 205 N 1.05 0.00 -0.27 1.39 4.64 -1.18 0.41 113.55 119.59 1ps1 h SER 205 Ca 0.23 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.41 1ps1 h SER 205 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1ps1 h SER 205 CO -0.01 0.16 -0.39 0.00 -0.87 0.00 0.00 176.83 175.72 1ps1 h ALA 206 N 1.84 0.41 -0.48 5.18 0.00 -1.04 -1.75 119.26 123.42 1ps1 h ALA 206 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ps1 h ALA 206 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ps1 h ALA 206 CO 0.02 0.50 0.22 0.52 0.00 0.00 0.00 179.25 180.51 1ps1 h MET 207 N 0.47 0.69 -0.52 0.00 2.86 -0.37 -2.60 114.93 115.48 1ps1 h MET 207 Ca 0.03 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1ps1 h MET 207 Cb 0.98 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1ps1 h MET 207 CO 0.09 0.60 -0.00 -0.07 1.06 0.00 0.00 176.91 178.59 1ps1 h LEU 208 N 0.63 0.84 -0.56 1.22 3.38 -0.91 -2.51 115.31 117.40 1ps1 h LEU 208 Ca 0.16 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ps1 h LEU 208 Cb 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1ps1 h LEU 208 CO -0.02 0.91 0.32 -0.61 0.09 0.00 0.00 178.44 179.13 1ps1 h GLN 209 N 0.81 0.61 -0.87 1.13 4.15 -1.03 -0.28 115.11 119.63 1ps1 h GLN 209 Ca 0.15 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1ps1 h GLN 209 Cb 0.49 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1ps1 h GLN 209 CO 0.02 0.40 0.57 0.82 -1.93 0.00 0.00 178.83 178.72 1ps1 h ILE 210 N 0.63 1.23 -0.57 2.39 2.04 -1.27 0.13 117.51 122.08 1ps1 h ILE 210 Ca 0.24 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1ps1 h ILE 210 Cb 0.08 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.07 1ps1 h ILE 210 CO -0.13 0.22 0.27 0.00 0.00 0.00 0.00 178.15 178.51 1ps1 h ALA 211 N 1.32 0.74 -0.43 1.87 0.00 -0.80 -0.53 119.26 121.42 1ps1 h ALA 211 Ca 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ps1 h ALA 211 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1ps1 h ALA 211 CO -0.07 0.31 0.20 0.28 0.00 0.00 0.00 179.25 179.97 1ps1 h VAL 212 N 0.78 1.19 -0.35 0.00 2.07 0.06 -2.78 116.25 117.21 1ps1 h VAL 212 Ca 0.20 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ps1 h VAL 212 Cb 0.13 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ps1 h VAL 212 CO -0.02 0.21 -0.00 0.44 0.02 0.00 0.00 177.57 178.21 1ps1 h ASP 213 N 0.56 0.61 -0.23 0.57 3.32 -0.33 -2.39 116.42 118.52 1ps1 h ASP 213 Ca 0.15 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.93 1ps1 h ASP 213 Cb 0.14 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1ps1 h ASP 213 CO -0.02 0.77 -0.02 0.58 -1.72 0.00 0.00 179.24 178.83 1ps1 h VAL 214 N 0.43 0.80 -0.35 -1.35 2.07 -1.06 0.51 116.25 117.30 1ps1 h VAL 214 Ca 0.10 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1ps1 h VAL 214 Cb 0.46 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1ps1 h VAL 214 CO 0.02 0.01 0.01 0.78 0.02 0.00 0.00 177.57 178.40 1ps1 h ASN 215 N 0.04 -0.13 1.20 0.57 2.35 -1.39 0.29 115.58 118.51 1ps1 h ASN 215 Ca 0.11 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1ps1 h ASN 215 Cb 0.15 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1ps1 h ASN 215 CO -0.21 -0.03 -0.17 0.17 -1.65 0.00 0.00 177.43 175.54 1ps1 h LEU 216 N 0.11 0.00 -0.06 1.61 8.10 -1.07 -1.18 115.31 122.82 1ps1 h LEU 216 Ca 0.17 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 58.01 1ps1 h LEU 216 Cb 0.23 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.46 1ps1 h LEU 216 CO -0.28 0.17 -0.54 -0.07 -4.11 0.00 0.00 178.44 173.61 1ps1 h LEU 217 N 0.00 0.57 0.12 0.17 3.38 0.23 -1.16 115.31 118.62 1ps1 h LEU 217 Ca -0.00 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1ps1 h LEU 217 Cb 0.82 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ps1 h LEU 217 CO 0.02 1.18 -0.06 -0.07 0.09 0.00 0.00 178.44 179.60 1ps1 h LEU 218 N 0.02 -0.14 -0.22 1.67 4.07 -0.36 -2.16 115.31 118.19 1ps1 h LEU 218 Ca -0.05 -0.07 0.05 0.00 0.08 0.00 0.00 57.88 57.89 1ps1 h LEU 218 Cb 1.21 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.93 1ps1 h LEU 218 CO 0.11 -0.02 -0.09 -1.13 -1.08 0.00 0.00 178.44 176.23 1ps1 h ASN 219 N -0.24 -0.30 -0.74 -0.43 -1.24 -1.29 0.68 115.58 112.02 1ps1 h ASN 219 Ca -0.02 0.08 0.11 0.00 0.71 0.00 0.00 56.30 57.18 1ps1 h ASN 219 Cb 0.19 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 1ps1 h ASN 219 CO 0.03 -0.11 0.49 0.44 -1.29 0.00 0.00 177.43 176.98 1ps1 h ASP 220 N -0.05 0.53 0.47 1.15 5.19 -1.01 -0.88 116.42 121.81 1ps1 h ASP 220 Ca 0.11 0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.29 1ps1 h ASP 220 Cb 0.22 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1ps1 h ASP 220 CO -0.26 0.31 -1.08 0.40 -3.12 0.00 0.00 179.24 175.49 1ps1 h ILE 221 N 0.58 1.44 -0.30 0.35 2.04 -0.70 -2.81 117.51 118.12 1ps1 h ILE 221 Ca 0.35 -2.72 -0.10 0.00 1.00 0.00 0.00 64.86 63.39 1ps1 h ILE 221 Cb 0.56 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1ps1 h ILE 221 CO -0.12 0.80 -0.23 0.00 0.00 0.00 0.00 178.15 178.61 1ps1 h ALA 222 N 0.66 1.06 -0.46 1.87 0.00 -0.06 -3.06 119.26 119.27 1ps1 h ALA 222 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ps1 h ALA 222 Cb 1.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ps1 h ALA 222 CO 0.18 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.88 1ps1 n SER 223 N -4.13 4.65 -0.02 0.00 3.41 -0.42 -4.09 113.62 113.02 1ps1 n SER 223 Ca -0.00 -2.78 -0.09 0.00 -0.26 0.00 0.00 58.87 55.74 1ps1 n SER 223 Cb 0.40 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 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 3.08 -0.28 -1.01 1.04 5.85 -1.38 -2.57 115.31 120.05 1ps1 h LEU 224 Ca 0.00 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1ps1 h LEU 224 Cb 1.57 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 1ps1 h LEU 224 CO 0.30 -0.12 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.62 1ps1 h GLU 225 N -0.08 0.29 -0.16 1.25 3.07 -1.84 -1.74 114.58 115.37 1ps1 h GLU 225 Ca 0.09 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1ps1 h GLU 225 Cb 0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1ps1 h GLU 225 CO -0.20 0.60 -0.01 -0.22 -1.40 0.00 0.00 179.01 177.77 1ps1 h LYS 226 N 0.26 0.30 0.00 2.33 3.64 -1.86 -2.79 116.57 118.44 1ps1 h LYS 226 Ca 0.03 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ps1 h LYS 226 Cb 0.72 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1ps1 h LYS 226 CO 0.05 0.54 0.00 0.93 -2.27 0.00 0.00 179.45 178.70 1ps1 h GLU 227 N 0.03 0.00 -0.03 1.90 5.08 -1.29 -2.83 114.58 117.43 1ps1 h GLU 227 Ca 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1ps1 h GLU 227 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ps1 h GLU 227 CO 0.01 0.00 -0.40 1.49 -1.00 0.00 0.00 179.01 179.11 1ps1 h GLU 228 N 0.00 0.33 -0.61 2.33 4.81 -1.23 -1.38 114.58 118.83 1ps1 h GLU 228 Ca 0.00 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1ps1 h GLU 228 Cb 0.58 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1ps1 h GLU 228 CO 0.00 0.98 0.37 0.00 -0.73 0.00 0.00 179.01 179.63 1ps1 h ALA 229 N 0.36 1.49 -0.35 2.92 0.00 -1.26 -1.88 119.26 120.55 1ps1 h ALA 229 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ps1 h ALA 229 Cb 1.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ps1 h ALA 229 CO 0.08 0.44 0.00 2.89 0.00 0.00 0.00 179.25 182.66 1ps1 n ARG 230 N -4.41 3.22 -0.75 0.00 1.85 -1.13 -4.93 116.66 110.49 1ps1 n ARG 230 Ca 0.06 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 55.05 1ps1 n ARG 230 Cb 0.07 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.58 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 0.45 0.48 3.61 2.89 0.00 -0.71 -4.99 105.19 106.92 1ps1 n GLY 231 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1ps1 n GLY 231 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ps1 n GLU 232 N -1.97 1.19 -0.17 1.61 1.02 -0.52 -4.94 120.64 116.86 1ps1 n GLU 232 Ca 0.00 0.44 0.03 0.00 -0.02 0.00 0.00 57.16 57.61 1ps1 n GLU 232 Cb 0.01 -2.11 0.04 0.00 -0.02 0.00 0.00 31.44 29.36 1ps1 n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ps1 n GLN 233 N -0.31 0.98 -2.81 3.49 10.64 -1.26 -4.74 117.38 123.37 1ps1 n GLN 233 Ca 0.11 -1.44 -0.31 0.00 -1.83 0.00 0.00 57.00 53.53 1ps1 n GLN 233 Cb 0.43 -0.88 -0.02 0.00 -0.86 0.00 0.00 30.24 28.90 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 -0.51 5.28 -4.10 2.61 2.04 -1.26 -4.63 115.26 114.69 1ps1 n ASN 234 Ca 0.04 -3.70 -0.23 0.00 -0.44 0.00 0.00 54.58 50.26 1ps1 n ASN 234 Cb 0.55 -0.71 -0.15 0.00 -2.53 0.00 0.00 39.78 36.93 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 -2.91 1.68 0.28 0.53 3.84 -1.26 -5.05 114.94 112.05 1ps1 s ASN 235 Ca 0.47 -0.26 0.02 0.00 0.21 0.00 0.00 52.86 53.29 1ps1 s ASN 235 Cb 0.27 -0.27 0.68 0.00 -0.55 0.00 0.00 41.25 41.38 1ps1 s ASN 235 CO -0.15 0.16 1.67 -0.03 -2.79 0.00 0.00 177.10 175.96 1ps1 h MET 236 N 5.94 0.29 0.52 0.43 1.85 -1.93 -1.87 114.93 120.16 1ps1 h MET 236 Ca -0.34 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 58.72 1ps1 h MET 236 Cb 1.16 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 33.11 1ps1 h MET 236 CO 0.49 0.19 -0.50 0.28 -0.40 0.00 0.00 176.91 176.97 1ps1 h VAL 237 N 0.30 0.00 -0.85 -5.77 2.07 -1.93 -1.37 116.25 108.70 1ps1 h VAL 237 Ca 0.53 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.23 1ps1 h VAL 237 Cb 1.02 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1ps1 h VAL 237 CO -0.57 0.00 0.56 0.24 0.02 0.00 0.00 177.57 177.82 1ps1 h MET 238 N -1.01 0.42 -0.16 1.57 2.86 -1.77 -2.52 114.93 114.32 1ps1 h MET 238 Ca -0.07 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1ps1 h MET 238 Cb 0.87 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1ps1 h MET 238 CO -0.05 0.28 -0.27 0.82 1.06 0.00 0.00 176.91 178.74 1ps1 h ILE 239 N 0.43 1.35 -0.72 -1.22 2.04 -1.02 -2.60 117.51 115.77 1ps1 h ILE 239 Ca 0.43 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.85 1ps1 h ILE 239 Cb 1.03 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 1ps1 h ILE 239 CO -0.16 0.45 0.47 -0.07 0.00 0.00 0.00 178.15 178.85 1ps1 h LEU 240 N 0.09 0.68 -0.69 1.44 3.38 -0.83 0.20 115.31 119.59 1ps1 h LEU 240 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ps1 h LEU 240 Cb 0.85 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1ps1 h LEU 240 CO 0.06 0.45 0.10 0.03 0.09 0.00 0.00 178.44 179.17 1ps1 h ARG 241 N 0.78 1.11 -0.08 1.13 3.08 -1.46 -0.69 114.38 118.25 1ps1 h ARG 241 Ca 0.30 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1ps1 h ARG 241 Cb 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ps1 h ARG 241 CO -0.10 1.02 -0.21 0.00 -1.07 0.00 0.00 179.97 179.61 1ps1 h ARG 242 N 1.04 0.28 -0.47 0.04 3.08 -0.71 0.13 114.38 117.78 1ps1 h ARG 242 Ca 0.20 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1ps1 h ARG 242 Cb 0.45 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1ps1 h ARG 242 CO 0.01 0.80 0.18 1.49 -1.07 0.00 0.00 179.97 181.39 1ps1 h GLU 243 N -0.19 0.70 0.00 0.04 4.81 -0.58 -3.34 114.58 116.02 1ps1 h GLU 243 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1ps1 h GLU 243 Cb 0.81 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1ps1 h GLU 243 CO 0.04 0.64 -0.80 0.72 -0.73 0.00 0.00 179.01 178.88 1ps1 n HIS 244 N -4.58 0.00 -2.67 0.92 8.25 -0.27 -5.02 115.22 111.85 1ps1 n HIS 244 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1ps1 n HIS 244 Cb 0.16 -0.06 0.05 0.00 1.12 0.00 0.00 29.99 31.25 1ps1 n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ps1 n GLY 245 N 1.39 -0.23 3.69 -1.41 0.00 0.44 -5.04 105.19 104.04 1ps1 n GLY 245 Ca 0.01 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.23 2.82 0.58 1.61 0.51 -1.20 -5.06 118.94 114.97 1ps1 s TRP 246 Ca 0.18 -0.19 -0.17 0.00 -2.12 0.00 0.00 56.10 53.80 1ps1 s TRP 246 Cb -0.02 -1.26 -0.04 0.00 -0.81 0.00 0.00 33.47 31.34 1ps1 s TRP 246 CO 0.44 0.59 1.07 -1.54 -0.51 0.00 0.00 176.95 177.01 1ps1 s SER 247 N -3.69 5.73 0.49 2.95 1.04 -1.26 -4.63 113.70 114.33 1ps1 s SER 247 Ca 0.32 1.92 0.21 0.00 0.48 0.00 0.00 55.95 58.88 1ps1 s SER 247 Cb -0.07 -2.55 1.26 0.00 0.10 0.00 0.00 66.02 64.76 1ps1 s SER 247 CO 0.21 -1.20 1.96 0.50 0.98 0.00 0.00 173.24 175.70 1ps1 h LYS 248 N 0.63 0.17 -0.07 4.02 3.64 -1.99 -1.72 116.57 121.25 1ps1 h LYS 248 Ca -0.48 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.77 1ps1 h LYS 248 Cb 1.23 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1ps1 h LYS 248 CO 0.57 0.11 -0.45 1.03 -2.27 0.00 0.00 179.45 178.44 1ps1 h SER 249 N 0.17 0.51 -0.61 4.20 0.87 -1.99 -1.34 113.55 115.35 1ps1 h SER 249 Ca 0.30 -0.67 0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1ps1 h SER 249 Cb 0.95 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1ps1 h SER 249 CO -0.05 1.10 0.40 -0.09 -0.53 0.00 0.00 176.83 177.66 1ps1 h ARG 250 N -0.05 0.67 -0.07 2.24 9.65 -1.73 -0.56 114.38 124.52 1ps1 h ARG 250 Ca -0.04 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1ps1 h ARG 250 Cb 1.11 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1ps1 h ARG 250 CO 0.09 0.45 -0.03 0.77 2.80 0.00 0.00 179.97 184.04 1ps1 h SER 251 N 0.69 0.16 -0.84 -3.80 0.02 -1.26 -0.19 113.55 108.34 1ps1 h SER 251 Ca 0.25 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1ps1 h SER 251 Cb 0.12 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1ps1 h SER 251 CO -0.07 0.53 0.39 0.58 -1.14 0.00 0.00 176.83 177.12 1ps1 h VAL 252 N -0.22 1.26 -0.36 2.27 2.07 -0.61 -1.82 116.25 118.84 1ps1 h VAL 252 Ca 0.02 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1ps1 h VAL 252 Cb 0.47 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ps1 h VAL 252 CO 0.01 0.32 0.15 0.77 0.02 0.00 0.00 177.57 178.84 1ps1 h SER 253 N 1.19 0.50 -0.65 0.57 4.64 -1.06 -1.39 113.55 117.35 1ps1 h SER 253 Ca 0.29 -0.16 0.14 0.00 -0.47 0.00 0.00 61.79 61.59 1ps1 h SER 253 Cb 0.14 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1ps1 h SER 253 CO -0.03 0.52 0.45 -0.74 -0.87 0.00 0.00 176.83 176.15 1ps1 h HIS 254 N 0.44 0.31 -0.00 4.77 6.17 -0.30 0.28 115.15 126.83 1ps1 h HIS 254 Ca 0.12 0.01 -0.14 0.00 0.71 0.00 0.00 60.37 61.07 1ps1 h HIS 254 Cb 0.17 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 1ps1 h HIS 254 CO -0.00 0.13 -0.65 0.52 0.71 0.00 0.00 177.93 178.63 1ps1 h MET 255 N 0.27 0.00 -0.40 5.26 2.86 -0.48 -0.71 114.93 121.73 1ps1 h MET 255 Ca 0.31 -0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.81 1ps1 h MET 255 Cb 0.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1ps1 h MET 255 CO -0.07 0.65 -0.30 1.96 1.06 0.00 0.00 176.91 180.21 1ps1 h GLN 256 N 0.00 0.88 0.00 1.72 4.20 0.11 -1.00 115.11 121.02 1ps1 h GLN 256 Ca -0.01 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.22 1ps1 h GLN 256 Cb 1.15 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1ps1 h GLN 256 CO 0.08 1.06 -0.35 -0.91 -0.67 0.00 0.00 178.83 178.04 1ps1 h ASN 257 N 0.74 0.00 0.30 1.46 2.35 -0.89 -1.47 115.58 118.08 1ps1 h ASN 257 Ca 0.08 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.59 1ps1 h ASN 257 Cb 0.87 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.24 1ps1 h ASN 257 CO 0.08 0.35 -1.00 -0.33 -1.65 0.00 0.00 177.43 174.88 1ps1 h GLU 258 N 0.00 0.45 -0.27 0.81 4.39 -0.71 -1.00 114.58 118.25 1ps1 h GLU 258 Ca -0.00 -0.51 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 1ps1 h GLU 258 Cb 0.62 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1ps1 h GLU 258 CO 0.05 1.16 -0.35 0.28 -1.16 0.00 0.00 179.01 178.99 1ps1 h VAL 259 N 0.24 1.29 0.94 3.13 2.07 -1.03 -1.75 116.25 121.14 1ps1 h VAL 259 Ca -0.10 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1ps1 h VAL 259 Cb 1.64 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1ps1 h VAL 259 CO 0.18 0.47 -0.45 -0.09 0.02 0.00 0.00 177.57 177.69 1ps1 h ARG 260 N 0.50 -1.22 -0.96 1.57 2.43 -1.24 -2.00 114.38 113.45 1ps1 h ARG 260 Ca 0.05 0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.46 1ps1 h ARG 260 Cb 0.84 0.28 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 1ps1 h ARG 260 CO 0.07 -0.81 0.61 0.00 -1.51 0.00 0.00 179.97 178.32 1ps1 h ALA 261 N -1.24 1.73 -0.24 2.80 0.00 -1.15 -1.79 119.26 119.38 1ps1 h ALA 261 Ca -0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ps1 h ALA 261 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ps1 h ALA 261 CO 0.21 -0.01 0.07 0.00 0.00 0.00 0.00 179.25 179.52 1ps1 h ARG 262 N 0.78 0.37 -0.52 0.00 3.08 -1.04 -2.45 114.38 114.59 1ps1 h ARG 262 Ca 0.51 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.49 1ps1 h ARG 262 Cb 0.75 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1ps1 h ARG 262 CO -0.28 0.46 0.33 -0.07 -1.07 0.00 0.00 179.97 179.34 1ps1 h LEU 263 N 0.21 0.54 -0.10 3.04 -0.00 -0.60 0.84 115.31 119.24 1ps1 h LEU 263 Ca 0.08 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1ps1 h LEU 263 Cb 0.24 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 1ps1 h LEU 263 CO -0.00 0.39 -0.39 -0.33 -0.00 0.00 0.00 178.44 178.11 1ps1 h GLU 264 N 0.66 -0.39 -0.97 1.13 4.39 -1.15 -0.99 114.58 117.25 1ps1 h GLU 264 Ca 0.20 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.11 1ps1 h GLU 264 Cb -0.02 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.63 1ps1 h GLU 264 CO -0.07 -0.26 0.61 1.96 -1.16 0.00 0.00 179.01 180.08 1ps1 h GLN 265 N -0.41 0.67 -0.23 2.33 4.20 -1.14 -1.04 115.11 119.49 1ps1 h GLN 265 Ca 0.02 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1ps1 h GLN 265 Cb 0.48 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1ps1 h GLN 265 CO -0.31 0.44 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.22 1ps1 h TYR 266 N 0.69 -0.38 -0.70 2.96 3.20 0.49 0.12 116.97 123.35 1ps1 h TYR 266 Ca 0.53 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.42 1ps1 h TYR 266 Cb 0.92 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1ps1 h TYR 266 CO -0.00 -0.22 0.40 -0.07 -1.64 0.00 0.00 178.16 176.63 1ps1 h LEU 267 N -0.14 0.87 -0.10 2.82 3.38 -0.57 -0.00 115.31 121.56 1ps1 h LEU 267 Ca 0.13 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1ps1 h LEU 267 Cb 0.33 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1ps1 h LEU 267 CO -0.31 0.70 -0.13 0.25 0.09 0.00 0.00 178.44 179.03 1ps1 h LEU 268 N 0.97 -0.40 -1.03 1.67 6.46 -0.86 -0.11 115.31 121.99 1ps1 h LEU 268 Ca 0.25 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.99 1ps1 h LEU 268 Cb 0.01 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1ps1 h LEU 268 CO -0.04 -0.18 -0.29 -0.07 -0.62 0.00 0.00 178.44 177.24 1ps1 h LEU 269 N -0.17 0.34 -1.27 2.25 3.38 -0.47 -2.46 115.31 116.91 1ps1 h LEU 269 Ca 0.08 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ps1 h LEU 269 Cb 0.29 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ps1 h LEU 269 CO -0.20 0.62 -0.07 -0.08 0.09 0.00 0.00 178.44 178.80 1ps1 h GLU 270 N 0.29 0.42 0.00 1.13 4.81 -0.15 -2.07 114.58 119.02 1ps1 h GLU 270 Ca 0.04 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ps1 h GLU 270 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1ps1 h GLU 270 CO 0.05 0.50 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 1ps1 h SER 271 N 0.40 0.00 0.29 1.04 4.64 -0.56 -2.03 113.55 117.33 1ps1 h SER 271 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1ps1 h SER 271 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ps1 h SER 271 CO 0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.91 1ps1 h LEU 273 N 0.53 0.99 -0.43 0.00 7.12 -1.27 -2.82 115.31 119.44 1ps1 h LEU 273 Ca 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1ps1 h LEU 273 Cb 0.29 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 1ps1 h LEU 273 CO 0.00 0.66 0.00 -0.65 -0.13 0.00 0.00 178.44 178.32 1ps1 h PRO 274 N 1.14 0.75 -0.73 5.25 0.11 -1.81 -2.18 132.00 134.54 1ps1 h PRO 274 Ca 0.40 -0.24 0.03 0.00 0.11 0.00 0.00 66.00 66.30 1ps1 h PRO 274 Cb 0.09 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 1ps1 h PRO 274 CO -0.15 0.82 0.48 -0.22 -0.21 0.00 0.00 178.00 178.73 1ps1 h LYS 275 N 0.59 0.87 -0.32 1.05 3.11 -1.80 -1.54 116.57 118.52 1ps1 h LYS 275 Ca 0.12 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.79 1ps1 h LYS 275 Cb 0.48 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1ps1 h LYS 275 CO 0.02 0.57 -0.30 0.28 -2.81 0.00 0.00 179.45 177.22 1ps1 h VAL 276 N 0.89 1.28 -0.81 2.00 2.07 -1.33 -1.48 116.25 118.87 1ps1 h VAL 276 Ca 0.29 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.48 1ps1 h VAL 276 Cb 0.05 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1ps1 h VAL 276 CO -0.08 0.46 0.47 1.23 0.02 0.00 0.00 177.57 179.67 1ps1 h GLY 277 N 0.99 1.25 0.76 2.17 0.00 -0.63 -1.97 103.07 105.64 1ps1 h GLY 277 Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1ps1 h GLY 277 CO 0.07 0.15 -0.21 0.83 0.00 0.00 0.00 176.54 177.37 1ps1 h GLU 278 N 0.80 -0.58 -1.50 4.80 5.08 -1.19 -1.02 114.58 120.97 1ps1 h GLU 278 Ca 0.38 0.04 0.47 0.00 -1.00 0.00 0.00 59.36 59.25 1ps1 h GLU 278 Cb 0.32 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1ps1 h GLU 278 CO -0.23 -0.28 1.01 0.82 -1.00 0.00 0.00 179.01 179.32 1ps1 h ILE 279 N -0.84 0.10 -0.12 3.13 2.04 -0.54 1.31 117.51 122.58 1ps1 h ILE 279 Ca -0.06 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1ps1 h ILE 279 Cb 0.56 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1ps1 h ILE 279 CO 0.10 0.01 0.00 -1.22 0.00 0.00 0.00 178.15 177.04 1ps1 n TYR 280 N -4.46 0.14 -3.25 1.37 4.02 -0.93 -5.01 117.16 109.05 1ps1 n TYR 280 Ca 0.39 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.90 58.11 1ps1 n TYR 280 Cb 1.59 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.91 1ps1 n TYR 280 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ps1 n GLN 281 N 1.04 -1.44 -2.95 -0.72 6.02 0.45 -4.95 117.38 114.83 1ps1 n GLN 281 Ca 0.12 1.34 -0.40 0.00 -0.01 0.00 0.00 57.00 58.05 1ps1 n GLN 281 Cb 0.47 -4.81 -0.05 0.00 1.02 0.00 0.00 30.24 26.86 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 -4.16 4.47 0.54 1.08 1.43 -0.49 -5.02 118.68 116.54 1ps1 s LEU 282 Ca 0.02 1.52 -0.07 0.00 -1.03 0.00 0.00 54.13 54.56 1ps1 s LEU 282 Cb -0.00 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 1ps1 s LEU 282 CO 0.79 0.03 0.88 1.51 0.23 0.00 0.00 176.35 179.79 1ps1 s ASP 283 N -0.19 6.11 0.22 2.29 1.47 -1.26 -4.77 116.67 120.54 1ps1 s ASP 283 Ca 0.39 1.02 -0.13 0.00 1.18 0.00 0.00 52.55 55.02 1ps1 s ASP 283 Cb -0.21 -2.20 0.27 0.00 -0.34 0.00 0.00 42.92 40.44 1ps1 s ASP 283 CO 0.24 -0.76 1.38 0.41 0.68 0.00 0.00 175.17 177.12 1ps1 n THR 284 N -2.47 -0.44 -0.34 2.11 -1.04 -1.26 0.11 114.28 110.94 1ps1 n THR 284 Ca 0.03 2.07 0.01 0.00 -2.04 0.00 0.00 64.05 64.12 1ps1 n THR 284 Cb 0.55 -2.77 0.18 0.00 -1.82 0.00 0.00 70.33 66.47 1ps1 n THR 284 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ps1 h ALA 285 N 1.39 1.39 -0.15 2.41 0.00 -2.01 -2.88 119.26 119.41 1ps1 h ALA 285 Ca 0.34 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1ps1 h ALA 285 Cb 0.57 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ps1 h ALA 285 CO -0.89 0.51 -0.15 0.93 0.00 0.00 0.00 179.25 179.64 1ps1 h GLU 286 N 1.19 0.37 -0.41 0.00 5.08 -0.69 -3.09 114.58 117.04 1ps1 h GLU 286 Ca 0.38 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1ps1 h GLU 286 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ps1 h GLU 286 CO -0.12 0.75 0.29 0.00 -1.00 0.00 0.00 179.01 178.93 1ps1 h ARG 287 N 0.01 0.09 -0.06 2.33 3.08 -1.16 -2.38 114.38 116.29 1ps1 h ARG 287 Ca 0.02 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1ps1 h ARG 287 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1ps1 h ARG 287 CO 0.04 0.06 -0.85 1.49 -1.07 0.00 0.00 179.97 179.64 1ps1 h GLU 288 N 0.09 0.51 -0.03 0.04 4.81 -1.43 -2.38 114.58 116.19 1ps1 h GLU 288 Ca 0.19 -0.48 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 1ps1 h GLU 288 Cb 0.64 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1ps1 h GLU 288 CO -0.02 1.11 -0.68 0.00 -0.73 0.00 0.00 179.01 178.69 1ps1 h ALA 289 N 0.74 0.79 -0.42 2.92 0.00 -1.41 -2.35 119.26 119.53 1ps1 h ALA 289 Ca -0.06 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 1ps1 h ALA 289 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1ps1 h ALA 289 CO 0.15 0.80 -0.32 1.25 0.00 0.00 0.00 179.25 181.14 1ps1 h LEU 290 N 0.11 1.00 -1.02 0.00 5.85 -1.46 0.08 115.31 119.86 1ps1 h LEU 290 Ca -0.01 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ps1 h LEU 290 Cb 1.22 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1ps1 h LEU 290 CO 0.10 1.22 0.51 -0.08 -0.34 0.00 0.00 178.44 179.85 1ps1 h GLU 291 N 0.79 1.18 -0.10 1.25 4.57 -1.31 0.05 114.58 121.01 1ps1 h GLU 291 Ca 0.08 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1ps1 h GLU 291 Cb 0.90 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1ps1 h GLU 291 CO 0.08 0.84 -0.57 0.00 -1.18 0.00 0.00 179.01 178.18 1ps1 h ARG 292 N 1.20 0.30 -0.27 1.92 2.47 -1.06 -1.42 114.38 117.52 1ps1 h ARG 292 Ca 0.31 -0.19 -0.14 0.00 -1.26 0.00 0.00 59.98 58.70 1ps1 h ARG 292 Cb -0.03 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1ps1 h ARG 292 CO -0.06 0.79 -0.39 -0.92 0.56 0.00 0.00 179.97 179.95 1ps1 h TYR 293 N 0.23 0.76 -0.30 3.04 3.20 -0.25 0.40 116.97 124.05 1ps1 h TYR 293 Ca -0.00 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1ps1 h TYR 293 Cb 1.07 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1ps1 h TYR 293 CO 0.03 0.93 -0.17 -0.09 -1.64 0.00 0.00 178.16 177.21 1ps1 h ARG 294 N 0.53 0.65 0.07 1.82 2.43 -0.83 -1.12 114.38 117.94 1ps1 h ARG 294 Ca 0.05 -0.30 -0.35 0.00 -0.81 0.00 0.00 59.98 58.57 1ps1 h ARG 294 Cb 0.91 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1ps1 h ARG 294 CO 0.08 0.89 -1.99 0.25 -1.51 0.00 0.00 179.97 177.69 1ps1 n THR 295 N -4.36 1.69 1.00 0.20 -2.24 -0.55 -2.09 114.28 107.92 1ps1 n THR 295 Ca -0.03 -0.70 0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1ps1 n THR 295 Cb 0.40 -1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 67.17 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 -3.30 0.86 0.02 3.42 8.00 0.14 -4.11 116.55 121.57 1ps1 n ASP 296 Ca -0.29 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1ps1 n ASP 296 Cb 1.05 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.94 1ps1 n ASP 296 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ps1 n ALA 297 N -1.50 3.00 0.04 2.24 0.00 -1.13 -4.66 120.51 118.50 1ps1 n ALA 297 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1ps1 n ALA 297 Cb 0.33 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 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 0.98 -0.89 0.00 2.07 -1.34 -2.89 116.25 114.18 1ps1 h VAL 298 Ca 0.00 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1ps1 h VAL 298 Cb 0.57 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1ps1 h VAL 298 CO 0.00 0.25 0.48 0.03 0.02 0.00 0.00 177.57 178.35 1ps1 h ARG 299 N -0.80 1.25 -0.62 1.57 3.08 -1.63 -2.79 114.38 114.44 1ps1 h ARG 299 Ca -0.02 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1ps1 h ARG 299 Cb 0.54 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1ps1 h ARG 299 CO 0.03 0.92 0.24 1.79 -1.07 0.00 0.00 179.97 181.89 1ps1 h THR 300 N 1.25 1.23 0.00 2.04 1.35 -1.71 -1.16 112.91 115.92 1ps1 h THR 300 Ca 0.31 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 65.37 1ps1 h THR 300 Cb 0.04 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 1ps1 h THR 300 CO -0.05 0.29 -0.29 1.62 -0.25 0.00 0.00 175.52 176.84 1ps1 h VAL 301 N 0.87 0.75 0.01 6.82 3.04 -1.34 0.60 116.25 127.00 1ps1 h VAL 301 Ca 0.21 -1.24 -0.04 0.00 -1.01 0.00 0.00 66.70 64.62 1ps1 h VAL 301 Cb 0.21 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1ps1 h VAL 301 CO -0.02 0.28 -0.17 0.40 -1.01 0.00 0.00 177.57 177.06 1ps1 h ILE 302 N 0.00 1.61 0.02 3.17 2.04 -1.21 -3.35 117.51 119.80 1ps1 h ILE 302 Ca -0.00 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 1ps1 h ILE 302 Cb 0.76 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1ps1 h ILE 302 CO 0.04 0.54 -0.01 -0.09 0.00 0.00 0.00 178.15 178.63 1ps1 h ARG 303 N -0.67 -0.03 -0.76 2.37 2.43 -1.08 -3.34 114.38 113.31 1ps1 h ARG 303 Ca -0.02 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1ps1 h ARG 303 Cb 0.98 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.41 1ps1 h ARG 303 CO 0.03 0.57 -0.25 0.41 -1.51 0.00 0.00 179.97 179.23 1ps1 n GLY 304 N 0.60 -1.42 0.37 2.80 0.00 0.21 0.15 105.19 107.89 1ps1 n GLY 304 Ca -0.09 0.83 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 1ps1 n GLY 304 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ps1 h SER 305 N 0.00 1.06 0.01 1.61 4.64 -1.69 -0.36 113.55 118.82 1ps1 h SER 305 Ca 0.31 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ps1 h SER 305 Cb 0.50 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ps1 h SER 305 CO -0.76 0.77 -0.01 0.22 -0.87 0.00 0.00 176.83 176.18 1ps1 h TYR 306 N 1.25 -0.01 -0.44 4.77 3.20 -0.43 0.02 116.97 125.33 1ps1 h TYR 306 Ca 0.34 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 1ps1 h TYR 306 Cb -0.14 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1ps1 h TYR 306 CO 0.00 0.31 0.21 -0.44 -1.64 0.00 0.00 178.16 176.60 1ps1 h ASP 307 N -0.34 0.30 0.24 -2.11 3.32 -1.26 -2.64 116.42 113.93 1ps1 h ASP 307 Ca -0.00 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ps1 h ASP 307 Cb 0.33 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1ps1 h ASP 307 CO 0.00 0.22 -0.20 -0.25 -1.72 0.00 0.00 179.24 177.29 1ps1 h TRP 308 N 0.43 -0.51 0.00 4.55 7.01 -1.02 -0.65 115.95 125.75 1ps1 h TRP 308 Ca 0.19 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1ps1 h TRP 308 Cb 0.10 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1ps1 h TRP 308 CO -0.11 -0.30 0.00 0.72 -2.79 0.00 0.00 178.44 175.97 1ps1 n HIS 309 N -5.32 0.00 -1.13 2.65 8.25 -0.01 -2.80 115.22 116.85 1ps1 n HIS 309 Ca -0.09 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 1ps1 n HIS 309 Cb 0.23 -0.13 0.13 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 -1.13 2.30 0.00 -0.41 1.74 -0.25 -4.33 116.66 114.58 1ps1 n ARG 310 Ca 0.03 -2.87 0.00 0.00 -0.77 0.00 0.00 57.85 54.24 1ps1 n ARG 310 Cb 0.02 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 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 -0.92 0.00 -4.90 0.55 3.41 -1.12 -5.04 113.62 105.60 1ps1 n SER 311 Ca 0.56 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.89 1ps1 n SER 311 Cb 1.25 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 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 6.38 0.00 4.04 0.01 -1.17 -5.15 113.70 117.81 1ps1 s SER 312 Ca 0.00 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1ps1 s SER 312 Cb 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1ps1 s SER 312 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86