#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i n GLU 2 N 0.00 0.24 -3.76 1.61 2.13 -1.26 -4.94 120.64 114.67 3h1i n GLU 2 Ca 0.00 -0.20 -0.21 0.00 0.66 0.00 0.00 57.16 57.41 3h1i n GLU 2 Cb 0.00 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.18 3h1i n GLU 2 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3h1i s LEU 3 N -2.89 3.64 -0.11 4.31 2.34 -1.26 -5.14 118.68 119.58 3h1i s LEU 3 Ca 0.10 -0.46 -0.30 0.00 0.06 0.00 0.00 54.13 53.53 3h1i s LEU 3 Cb 0.17 -2.28 0.10 0.00 -0.56 0.00 0.00 46.19 43.62 3h1i s LEU 3 CO 0.80 -0.37 0.87 -1.83 -1.06 0.00 0.00 176.35 174.75 3h1i s GLU 4 N -4.02 0.79 -0.22 1.48 -1.05 -1.26 -4.75 118.70 109.67 3h1i s GLU 4 Ca 0.42 0.16 -0.13 0.00 -0.15 0.00 0.00 54.97 55.27 3h1i s GLU 4 Cb -0.06 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 3h1i s GLU 4 CO 0.27 -0.25 0.25 -1.17 0.95 0.00 0.00 175.26 175.31 3h1i s LEU 5 N -1.23 4.15 -0.15 1.83 2.96 -1.26 -5.07 118.68 119.91 3h1i s LEU 5 Ca -0.05 0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 3h1i s LEU 5 Cb -0.00 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3h1i s LEU 5 CO 0.04 0.03 0.70 -1.00 -1.32 0.00 0.00 176.35 174.80 3h1i s HIS 6 N 1.04 3.44 0.55 5.38 3.76 -1.26 -4.73 115.29 123.46 3h1i s HIS 6 Ca 0.12 1.10 -0.21 0.00 -0.15 0.00 0.00 55.06 55.92 3h1i s HIS 6 Cb -0.14 -2.85 -0.06 0.00 1.11 0.00 0.00 32.58 30.64 3h1i s HIS 6 CO 0.05 -0.12 1.18 -0.35 -0.85 0.00 0.00 174.74 174.66 3h1i n PRO 7 N 4.74 1.38 -0.09 8.40 -0.04 -1.26 -5.04 135.00 143.08 3h1i n PRO 7 Ca 0.00 0.51 -0.03 0.00 -0.04 0.00 0.00 63.50 63.94 3h1i n PRO 7 Cb 0.50 -2.36 0.03 0.00 -0.04 0.00 0.00 33.50 31.62 3h1i n PRO 7 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3h1i n PRO 8 N -0.85 -1.38 -3.69 0.54 -0.04 -1.26 -5.01 135.00 123.30 3h1i n PRO 8 Ca 0.11 -0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 3h1i n PRO 8 Cb 0.45 -0.17 -0.15 0.00 -0.04 0.00 0.00 33.50 33.59 3h1i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i s ALA 9 N -2.85 1.32 0.43 0.55 0.00 -1.26 -4.86 121.76 115.10 3h1i s ALA 9 Ca 0.07 -1.51 -0.22 0.00 0.00 0.00 0.00 51.96 50.30 3h1i s ALA 9 Cb -0.01 -1.56 -0.10 0.00 0.00 0.00 0.00 23.12 21.46 3h1i s ALA 9 CO 0.06 -1.64 1.00 -0.06 0.00 0.00 0.00 175.76 175.11 3h1i s PHE 10 N 1.73 3.24 -1.38 0.00 0.40 -1.26 -4.95 117.98 115.76 3h1i s PHE 10 Ca 0.09 1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.93 3h1i s PHE 10 Cb -0.17 -2.98 0.10 0.00 0.51 0.00 0.00 43.02 40.48 3h1i s PHE 10 CO -0.27 -0.41 2.07 -0.35 0.70 0.00 0.00 175.22 176.96 3h1i n PRO 11 N -0.53 3.21 -1.56 0.24 -0.04 -1.26 -4.99 135.00 130.07 3h1i n PRO 11 Ca 0.07 -3.02 -0.41 0.00 -0.04 0.00 0.00 63.50 60.10 3h1i n PRO 11 Cb 0.52 -3.12 0.02 0.00 -0.04 0.00 0.00 33.50 30.88 3h1i n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h1i n TRP 12 N 5.06 0.53 -0.04 0.54 7.02 -1.26 -4.83 117.44 124.47 3h1i n TRP 12 Ca 0.47 0.54 0.19 0.00 -1.02 0.00 0.00 57.50 57.67 3h1i n TRP 12 Cb 0.38 -2.13 0.65 0.00 -2.42 0.00 0.00 31.31 27.78 3h1i n TRP 12 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3h1i h SER 13 N 1.07 0.09 -0.08 -0.99 4.64 -1.94 -1.88 113.55 114.46 3h1i h SER 13 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h1i h SER 13 Cb 1.36 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3h1i h SER 13 CO 0.54 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 3h1i n HIS 14 N -4.40 0.07 -0.14 4.77 -0.00 -1.23 -4.59 115.22 109.71 3h1i n HIS 14 Ca 0.11 -0.04 0.16 0.00 -0.00 0.00 0.00 57.72 57.94 3h1i n HIS 14 Cb 0.58 -0.00 0.52 0.00 -0.00 0.00 0.00 29.99 31.10 3h1i n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3h1i h GLY 15 N 4.17 0.61 -2.34 -1.39 0.00 -1.58 -3.41 103.07 99.12 3h1i h GLY 15 Ca 0.00 -0.16 -0.49 0.00 0.00 0.00 0.00 47.33 46.68 3h1i h GLY 15 CO 0.00 0.06 0.42 -0.32 0.00 0.00 0.00 176.54 176.70 3h1i s GLY 16 N -3.82 2.64 0.62 4.60 0.00 -1.26 -4.91 107.32 105.18 3h1i s GLY 16 Ca -0.08 0.75 0.27 0.00 0.00 0.00 0.00 44.72 45.66 3h1i s GLY 16 CO 0.76 1.12 1.79 -0.56 0.00 0.00 0.00 173.10 176.21 3h1i h PRO 17 N 1.75 0.00 -0.05 2.90 0.13 -2.01 0.63 132.00 135.35 3h1i h PRO 17 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3h1i h PRO 17 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3h1i h PRO 17 CO 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 3h1i n LEU 18 N -3.37 1.86 -4.61 1.56 4.77 -1.26 -4.87 117.00 111.09 3h1i n LEU 18 Ca 0.07 -1.68 -0.42 0.00 -0.03 0.00 0.00 56.01 53.94 3h1i n LEU 18 Cb 0.70 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3h1i n LEU 18 CO 0.22 0.46 0.71 -0.44 -1.33 0.00 0.00 177.39 177.01 3h1i s SER 19 N -0.74 6.67 0.98 -1.43 0.01 0.22 -5.01 113.70 114.39 3h1i s SER 19 Ca 0.04 0.59 -0.15 0.00 1.31 0.00 0.00 55.95 57.74 3h1i s SER 19 Cb 0.02 -2.45 0.19 0.00 0.21 0.00 0.00 66.02 63.99 3h1i s SER 19 CO 0.03 -0.79 1.24 0.00 0.41 0.00 0.00 173.24 174.13 3h1i s ALA 20 N 3.32 1.94 0.20 1.44 0.00 -1.26 -4.57 121.76 122.83 3h1i s ALA 20 Ca 0.36 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 3h1i s ALA 20 Cb -0.13 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 3h1i s ALA 20 CO 0.17 -2.51 0.80 -0.51 0.00 0.00 0.00 175.76 173.71 3h1i s LEU 21 N -6.05 4.54 -1.21 0.00 1.43 -1.26 -3.54 118.68 112.58 3h1i s LEU 21 Ca 0.70 1.66 -0.20 0.00 -1.03 0.00 0.00 54.13 55.26 3h1i s LEU 21 Cb -0.07 -3.43 0.03 0.00 0.03 0.00 0.00 46.19 42.74 3h1i s LEU 21 CO 0.53 0.16 1.75 -0.62 0.23 0.00 0.00 176.35 178.39 3h1i s ASP 22 N -1.27 6.32 0.61 2.29 2.15 -1.26 -4.78 116.67 120.73 3h1i s ASP 22 Ca 0.39 -2.04 0.25 0.00 0.43 0.00 0.00 52.55 51.58 3h1i s ASP 22 Cb -0.22 -2.58 1.01 0.00 -0.30 0.00 0.00 42.92 40.83 3h1i s ASP 22 CO 0.26 -1.71 1.44 0.45 -0.17 0.00 0.00 175.17 175.44 3h1i h HIS 23 N 8.57 0.00 0.12 -5.34 3.86 -1.93 0.72 115.15 121.16 3h1i h HIS 23 Ca 0.34 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3h1i h HIS 23 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 3h1i h HIS 23 CO 1.35 0.00 -0.06 0.77 0.86 0.00 0.00 177.93 180.85 3h1i h SER 24 N 0.00 -0.14 0.47 2.45 0.02 -1.91 -2.84 113.55 111.60 3h1i h SER 24 Ca 0.37 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3h1i h SER 24 Cb 2.36 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.93 3h1i h SER 24 CO -0.00 0.04 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.28 3h1i h SER 25 N -0.32 0.00 0.27 3.07 0.87 0.07 -2.61 113.55 114.90 3h1i h SER 25 Ca -0.02 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 3h1i h SER 25 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3h1i h SER 25 CO 0.03 0.17 -0.92 0.58 -0.53 0.00 0.00 176.83 176.15 3h1i h VAL 26 N 0.00 1.38 0.00 2.23 2.07 -1.48 0.54 116.25 120.99 3h1i h VAL 26 Ca -0.00 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 3h1i h VAL 26 Cb 0.45 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3h1i h VAL 26 CO 0.02 0.71 -0.01 -0.09 0.02 0.00 0.00 177.57 178.23 3h1i h ARG 27 N 0.27 0.00 0.00 1.57 2.43 -1.22 0.71 114.38 118.14 3h1i h ARG 27 Ca -0.08 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3h1i h ARG 27 Cb 1.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 3h1i h ARG 27 CO 0.16 0.01 -0.70 0.00 -1.51 0.00 0.00 179.97 177.93 3h1i h ARG 28 N 0.00 0.00 -0.94 0.20 3.08 -1.46 -3.24 114.38 112.02 3h1i h ARG 28 Ca -0.00 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.32 3h1i h ARG 28 Cb 0.01 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 29.89 3h1i h ARG 28 CO 0.00 0.55 0.07 0.41 -1.07 0.00 0.00 179.97 179.94 3h1i n GLY 29 N 1.56 -1.22 0.23 0.04 0.00 0.19 0.81 105.19 106.79 3h1i n GLY 29 Ca -0.17 0.91 -0.13 0.00 0.00 0.00 0.00 46.02 46.63 3h1i n GLY 29 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h1i h PHE 30 N 0.00 -0.51 -0.98 1.61 3.57 0.25 -0.02 116.94 120.86 3h1i h PHE 30 Ca 0.60 0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.23 3h1i h PHE 30 Cb 1.28 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.14 3h1i h PHE 30 CO -0.43 -0.29 0.61 0.37 -2.23 0.00 0.00 178.31 176.34 3h1i h GLN 31 N -0.39 0.92 -0.46 1.11 4.15 0.38 0.59 115.11 121.39 3h1i h GLN 31 Ca 0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3h1i h GLN 31 Cb 0.39 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3h1i h GLN 31 CO -0.08 0.61 0.25 0.28 -1.93 0.00 0.00 178.83 177.96 3h1i h VAL 32 N 0.95 1.17 0.20 2.39 2.07 0.02 -0.12 116.25 122.93 3h1i h VAL 32 Ca 0.49 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3h1i h VAL 32 Cb 0.51 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3h1i h VAL 32 CO -0.28 0.18 -0.10 0.22 0.02 0.00 0.00 177.57 177.61 3h1i h TYR 33 N 0.61 -0.25 0.01 1.57 3.20 0.11 -1.32 116.97 120.90 3h1i h TYR 33 Ca 0.16 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3h1i h TYR 33 Cb 0.06 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3h1i h TYR 33 CO -0.02 -0.03 -0.23 -0.22 -1.64 0.00 0.00 178.16 176.02 3h1i h LYS 34 N -0.43 -0.35 0.00 1.82 3.64 0.18 0.18 116.57 121.62 3h1i h LYS 34 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h1i h LYS 34 Cb 0.33 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3h1i h LYS 34 CO 0.05 -0.23 -0.15 1.04 -2.27 0.00 0.00 179.45 177.88 3h1i n GLN 35 N -5.35 0.21 0.00 1.90 6.02 -0.07 -4.13 117.38 115.96 3h1i n GLN 35 Ca -0.05 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3h1i n GLN 35 Cb 0.27 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.82 3h1i n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1i n VAL 36 N -2.05 0.00 -0.00 5.09 0.31 -0.50 -4.86 118.33 116.32 3h1i n VAL 36 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 3h1i n VAL 36 Cb 0.41 -1.34 -0.14 0.00 -0.91 0.00 0.00 33.84 31.86 3h1i n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1i h SER 38 N 0.01 0.00 0.41 0.00 4.64 -0.81 1.91 113.55 119.71 3h1i h SER 38 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3h1i h SER 38 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 3h1i h SER 38 CO 0.09 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.87 3h1i n ALA 39 N -1.65 2.90 0.00 5.18 0.00 -1.26 -4.30 120.51 121.39 3h1i n ALA 39 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3h1i n ALA 39 Cb 0.41 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3h1i n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1i s HIS 41 N -0.50 3.06 0.36 0.00 3.76 0.58 -4.74 115.29 117.81 3h1i s HIS 41 Ca 0.00 -0.72 -0.25 0.00 -0.15 0.00 0.00 55.06 53.94 3h1i s HIS 41 Cb 0.00 -2.20 -0.09 0.00 1.11 0.00 0.00 32.58 31.39 3h1i s HIS 41 CO 0.00 -0.47 1.03 -1.54 -0.85 0.00 0.00 174.74 172.91 3h1i s SER 42 N 1.55 7.01 -0.35 1.40 1.04 -1.26 -4.28 113.70 118.81 3h1i s SER 42 Ca 0.05 2.01 0.15 0.00 0.48 0.00 0.00 55.95 58.64 3h1i s SER 42 Cb -0.15 -2.59 0.45 0.00 0.10 0.00 0.00 66.02 63.83 3h1i s SER 42 CO 0.01 -0.31 1.01 0.80 0.98 0.00 0.00 173.24 175.73 3h1i n MET 43 N 0.31 1.84 0.00 4.02 0.00 -1.26 -1.28 117.12 120.76 3h1i n MET 43 Ca 0.03 -3.62 0.00 0.00 0.00 0.00 0.00 57.70 54.11 3h1i n MET 43 Cb 0.49 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.15 3h1i n MET 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3h1i n ASP 44 N -0.22 0.00 -0.43 6.12 8.00 -1.26 -2.24 116.55 126.52 3h1i n ASP 44 Ca 0.18 0.05 0.04 0.00 0.71 0.00 0.00 54.79 55.77 3h1i n ASP 44 Cb 0.78 -0.05 0.09 0.00 -0.02 0.00 0.00 41.12 41.91 3h1i n ASP 44 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1i n TYR 45 N -0.83 0.23 -4.49 1.24 4.02 -1.26 -4.88 117.16 111.19 3h1i n TYR 45 Ca 0.00 -0.34 -0.28 0.00 -0.01 0.00 0.00 57.90 57.28 3h1i n TYR 45 Cb 0.11 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.31 3h1i n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1i s VAL 46 N -0.90 1.97 -0.29 -0.72 1.01 -0.95 -5.06 120.40 115.46 3h1i s VAL 46 Ca 0.15 -1.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.03 3h1i s VAL 46 Cb 0.08 -2.88 0.13 0.00 0.00 0.00 0.00 36.38 33.72 3h1i s VAL 46 CO 0.11 0.00 0.97 0.00 0.00 0.00 0.00 175.10 176.18 3h1i s ALA 47 N -2.70 -2.13 0.05 5.51 0.00 -1.26 -2.32 121.76 118.91 3h1i s ALA 47 Ca 0.33 2.10 0.02 0.00 0.00 0.00 0.00 51.96 54.41 3h1i s ALA 47 Cb 0.07 -1.58 0.16 0.00 0.00 0.00 0.00 23.12 21.76 3h1i s ALA 47 CO 0.17 -0.31 0.23 1.19 0.00 0.00 0.00 175.76 177.05 3h1i n PHE 48 N 3.21 0.13 0.03 0.00 3.01 -1.22 0.29 117.46 122.91 3h1i n PHE 48 Ca -0.16 0.17 0.04 0.00 1.01 0.00 0.00 57.45 58.51 3h1i n PHE 48 Cb 0.57 -0.63 0.43 0.00 -0.01 0.00 0.00 39.48 39.83 3h1i n PHE 48 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 3h1i h ARG 49 N 0.00 0.47 -0.97 -1.08 0.11 -1.43 -1.87 114.38 109.61 3h1i h ARG 49 Ca 0.11 -0.04 0.12 0.00 0.10 0.00 0.00 59.98 60.27 3h1i h ARG 49 Cb 0.26 -0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.16 3h1i h ARG 49 CO -0.12 0.35 0.62 -0.91 0.10 0.00 0.00 179.97 180.00 3h1i h ASN 50 N 0.48 0.86 -0.28 0.08 2.35 0.41 -2.42 115.58 117.06 3h1i h ASN 50 Ca 0.13 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3h1i h ASN 50 Cb 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3h1i h ASN 50 CO -0.02 0.46 0.19 -0.07 -1.65 0.00 0.00 177.43 176.33 3h1i h LEU 51 N 0.93 0.32 -8.78 1.61 3.38 -1.45 -3.41 115.31 107.91 3h1i h LEU 51 Ca 0.48 -0.01 -0.78 0.00 0.09 0.00 0.00 57.88 57.66 3h1i h LEU 51 Cb 0.53 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3h1i h LEU 51 CO -0.25 0.23 0.99 -0.38 0.09 0.00 0.00 178.44 179.12 3h1i n ILE 52 N -4.89 0.13 -0.06 1.22 5.41 -0.91 0.10 119.36 120.35 3h1i n ILE 52 Ca -0.02 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3h1i n ILE 52 Cb 0.02 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 3h1i n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1i n GLY 53 N 5.13 1.25 0.34 7.39 0.00 0.10 -4.84 105.19 114.56 3h1i n GLY 53 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 3h1i n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1i n VAL 54 N -2.00 1.25 0.00 1.61 0.31 0.28 -4.88 118.33 114.91 3h1i n VAL 54 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3h1i n VAL 54 Cb 0.00 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 3h1i n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1i n THR 55 N -4.04 0.00 -4.27 2.52 -2.24 -0.61 -4.88 114.28 100.76 3h1i n THR 55 Ca -0.32 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 3h1i n THR 55 Cb 0.68 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3h1i n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1i s HIS 56 N -0.11 1.40 0.28 4.78 4.02 -1.17 -4.86 115.29 119.63 3h1i s HIS 56 Ca 0.00 -1.27 0.05 0.00 1.02 0.00 0.00 55.06 54.86 3h1i s HIS 56 Cb 0.00 -0.77 -0.02 0.00 -1.02 0.00 0.00 32.58 30.77 3h1i s HIS 56 CO 0.00 -0.47 0.41 0.95 1.02 0.00 0.00 174.74 176.65 3h1i s THR 57 N -3.90 4.81 0.15 1.30 -4.23 -1.26 -0.73 115.64 111.78 3h1i s THR 57 Ca 0.38 -0.98 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 3h1i s THR 57 Cb 0.07 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 3h1i s THR 57 CO 0.13 -0.27 1.57 -0.08 -0.54 0.00 0.00 174.62 175.44 3h1i h GLU 58 N 1.06 -0.35 0.00 3.99 4.81 -1.98 -2.29 114.58 119.82 3h1i h GLU 58 Ca -0.50 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3h1i h GLU 58 Cb 1.24 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3h1i h GLU 58 CO 0.58 -0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 3h1i n ALA 59 N -3.06 -0.19 -0.21 2.92 0.00 -1.26 -2.18 120.51 116.53 3h1i n ALA 59 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 3h1i n ALA 59 Cb 0.35 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 3h1i n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1i n GLU 60 N -2.52 -0.20 0.03 0.00 1.02 -1.03 0.92 120.64 118.87 3h1i n GLU 60 Ca 0.00 0.80 -0.11 0.00 -0.02 0.00 0.00 57.16 57.83 3h1i n GLU 60 Cb 0.00 -1.17 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 3h1i n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h1i h ALA 61 N 0.41 -0.27 -0.84 0.62 0.00 -1.27 0.49 119.26 118.41 3h1i h ALA 61 Ca 0.12 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3h1i h ALA 61 Cb 0.25 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3h1i h ALA 61 CO -0.50 -0.72 0.38 -0.22 0.00 0.00 0.00 179.25 178.19 3h1i h LYS 62 N -0.34 0.48 -0.05 0.00 3.64 0.10 0.56 116.57 120.97 3h1i h LYS 62 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3h1i h LYS 62 Cb 0.45 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3h1i h LYS 62 CO -0.25 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 3h1i h ALA 63 N 1.61 0.07 -0.95 5.00 0.00 -0.07 -0.39 119.26 124.52 3h1i h ALA 63 Ca 0.48 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.38 3h1i h ALA 63 Cb 0.78 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3h1i h ALA 63 CO -0.43 -0.27 0.60 -0.07 0.00 0.00 0.00 179.25 179.08 3h1i h LEU 64 N -0.19 0.73 0.02 0.00 3.38 0.23 -1.11 115.31 118.37 3h1i h LEU 64 Ca 0.01 0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 3h1i h LEU 64 Cb 0.32 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h1i h LEU 64 CO 0.00 0.35 -1.05 0.00 0.09 0.00 0.00 178.44 177.83 3h1i h ALA 65 N 1.59 0.10 0.00 1.53 0.00 0.23 -3.08 119.26 119.63 3h1i h ALA 65 Ca 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h1i h ALA 65 Cb 0.75 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h1i h ALA 65 CO -0.26 0.66 0.00 0.39 0.00 0.00 0.00 179.25 180.04 3h1i n GLU 66 N -3.87 0.24 0.00 0.00 1.02 -0.18 -1.96 120.64 115.89 3h1i n GLU 66 Ca -0.12 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 3h1i n GLU 66 Cb 0.89 -1.50 0.79 0.00 -0.02 0.00 0.00 31.44 31.60 3h1i n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h1i n GLU 67 N -1.26 0.74 -4.29 3.49 1.02 -0.50 -4.50 120.64 115.34 3h1i n GLU 67 Ca 0.08 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.04 3h1i n GLU 67 Cb 0.11 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.93 3h1i n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1i s VAL 68 N -2.16 1.53 -0.21 2.62 1.01 -0.83 -5.06 120.40 117.30 3h1i s VAL 68 Ca 0.37 -1.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.33 3h1i s VAL 68 Cb 0.19 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3h1i s VAL 68 CO 0.35 -0.49 0.10 -1.61 0.00 0.00 0.00 175.10 173.45 3h1i s GLU 69 N -3.10 3.97 -0.06 2.72 0.41 -1.26 -2.16 118.70 119.22 3h1i s GLU 69 Ca 0.15 -0.33 0.04 0.00 -0.41 0.00 0.00 54.97 54.42 3h1i s GLU 69 Cb -0.03 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 28.94 3h1i s GLU 69 CO 0.04 0.13 -0.17 0.08 -0.49 0.00 0.00 175.26 174.86 3h1i s VAL 70 N 0.81 2.83 -0.39 2.63 1.01 0.14 -4.92 120.40 122.50 3h1i s VAL 70 Ca 0.05 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 3h1i s VAL 70 Cb -0.13 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3h1i s VAL 70 CO 0.02 0.58 0.78 -1.58 0.00 0.00 0.00 175.10 174.91 3h1i s GLN 71 N -0.51 3.66 0.11 2.72 0.74 -1.26 -0.88 119.66 124.24 3h1i s GLN 71 Ca 0.07 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.68 3h1i s GLN 71 Cb -0.12 -3.84 0.00 0.00 1.10 0.00 0.00 33.01 30.15 3h1i s GLN 71 CO 0.01 -0.92 0.01 -3.47 -0.55 0.00 0.00 175.29 170.37 3h1i n ASP 72 N 6.50 2.19 0.00 6.67 4.64 -0.65 -4.97 116.55 130.94 3h1i n ASP 72 Ca 0.03 -1.48 0.00 0.00 -1.38 0.00 0.00 54.79 51.96 3h1i n ASP 72 Cb 0.48 0.07 0.00 0.00 -1.04 0.00 0.00 41.12 40.63 3h1i n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1i n GLY 73 N 3.65 0.28 3.82 0.27 0.00 -1.26 -3.01 105.19 108.93 3h1i n GLY 73 Ca -0.04 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 3h1i n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1i s PRO 74 N -0.07 1.78 0.55 1.61 0.04 -1.26 -5.08 135.00 132.57 3h1i s PRO 74 Ca 0.00 0.42 0.02 0.00 0.04 0.00 0.00 61.00 61.48 3h1i s PRO 74 Cb 0.00 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.74 3h1i s PRO 74 CO 0.00 -1.79 0.75 -0.40 0.04 0.00 0.00 177.00 175.60 3h1i n ASP 75 N -3.51 1.20 -0.33 6.66 5.68 -0.01 -4.82 116.55 121.42 3h1i n ASP 75 Ca 0.07 -1.97 0.25 0.00 -0.50 0.00 0.00 54.79 52.64 3h1i n ASP 75 Cb 0.58 -0.47 0.55 0.00 -1.14 0.00 0.00 41.12 40.64 3h1i n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h1i h GLU 76 N 0.00 0.31 -0.32 0.11 3.07 -2.03 1.05 114.58 116.77 3h1i h GLU 76 Ca -0.25 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3h1i h GLU 76 Cb 0.97 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3h1i h GLU 76 CO 0.29 0.21 0.00 0.09 -1.40 0.00 0.00 179.01 178.19 3h1i n ASN 77 N -4.59 1.99 -1.03 1.42 3.02 -1.26 -4.90 115.26 109.92 3h1i n ASN 77 Ca 0.26 -1.91 -0.12 0.00 -0.03 0.00 0.00 54.58 52.79 3h1i n ASN 77 Cb 0.96 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 3h1i n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1i n GLY 78 N 1.14 0.91 3.93 7.41 0.00 0.36 -5.00 105.19 113.93 3h1i n GLY 78 Ca 0.14 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3h1i n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1i s GLU 79 N -3.44 3.50 0.51 1.61 0.41 -1.26 -4.69 118.70 115.35 3h1i s GLU 79 Ca 0.00 -0.39 0.01 0.00 -0.41 0.00 0.00 54.97 54.18 3h1i s GLU 79 Cb 0.00 -2.90 0.02 0.00 -1.78 0.00 0.00 34.13 29.47 3h1i s GLU 79 CO 0.00 0.47 0.74 -0.51 -0.49 0.00 0.00 175.26 175.46 3h1i s LEU 80 N -3.11 3.42 0.10 1.80 1.43 -1.26 -0.83 118.68 120.22 3h1i s LEU 80 Ca 0.37 0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 3h1i s LEU 80 Cb -0.11 -3.00 0.08 0.00 0.03 0.00 0.00 46.19 43.19 3h1i s LEU 80 CO 0.28 -0.97 0.99 0.72 0.23 0.00 0.00 176.35 177.60 3h1i s PHE 81 N -2.69 -0.16 0.23 0.29 -0.12 -1.16 -4.94 117.98 109.42 3h1i s PHE 81 Ca 0.54 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 3h1i s PHE 81 Cb -0.10 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3h1i s PHE 81 CO 0.38 -0.70 0.38 -1.64 -0.05 0.00 0.00 175.22 173.59 3h1i s MET 82 N -3.14 3.46 0.14 1.99 -1.94 -1.26 -1.63 119.30 116.93 3h1i s MET 82 Ca 0.11 -0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 53.38 3h1i s MET 82 Cb -0.01 -2.86 0.02 0.00 2.01 0.00 0.00 34.83 33.99 3h1i s MET 82 CO -0.01 0.40 0.38 -0.98 -0.01 0.00 0.00 175.02 174.81 3h1i s ARG 83 N -3.72 1.13 0.83 2.03 1.70 -0.06 -4.90 118.95 115.96 3h1i s ARG 83 Ca 0.36 -0.85 -0.11 0.00 -0.47 0.00 0.00 55.73 54.66 3h1i s ARG 83 Cb -0.10 0.45 0.09 0.00 -0.57 0.00 0.00 34.95 34.82 3h1i s ARG 83 CO 0.30 -0.44 1.09 -1.25 -1.08 0.00 0.00 175.30 173.92 3h1i s PRO 84 N -3.85 1.77 0.31 3.89 0.04 -1.26 -0.69 135.00 135.20 3h1i s PRO 84 Ca 0.07 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 61.87 3h1i s PRO 84 Cb 0.02 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 3h1i s PRO 84 CO -0.08 -1.93 0.85 0.20 0.04 0.00 0.00 177.00 176.08 3h1i s GLY 85 N -3.42 2.62 0.34 0.56 0.00 -0.92 -4.64 107.32 101.86 3h1i s GLY 85 Ca 0.62 0.33 0.08 0.00 0.00 0.00 0.00 44.72 45.75 3h1i s GLY 85 CO 0.56 0.69 0.21 0.54 0.00 0.00 0.00 173.10 175.11 3h1i s LYS 86 N -2.30 2.54 0.60 2.90 1.02 -1.26 -3.46 119.74 119.78 3h1i s LYS 86 Ca 0.50 -1.42 0.40 0.00 0.02 0.00 0.00 55.97 55.46 3h1i s LYS 86 Cb -0.16 -2.32 2.04 0.00 -0.52 0.00 0.00 37.83 36.88 3h1i s LYS 86 CO 0.20 0.11 2.21 -0.84 -0.92 0.00 0.00 175.35 176.11 3h1i h ILE 87 N 1.41 0.00 -0.00 2.17 3.07 -1.90 -2.63 117.51 119.62 3h1i h ILE 87 Ca -0.44 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.83 3h1i h ILE 87 Cb 1.25 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 3h1i h ILE 87 CO 0.61 0.00 -0.01 -1.54 -1.05 0.00 0.00 178.15 176.16 3h1i n SER 88 N -3.00 0.23 -4.86 2.16 3.41 -1.26 -1.18 113.62 109.12 3h1i n SER 88 Ca -0.02 -0.95 -0.31 0.00 -0.26 0.00 0.00 58.87 57.32 3h1i n SER 88 Cb 0.13 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3h1i n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1i s ASP 89 N -2.09 6.58 0.31 4.04 1.01 -0.99 -4.98 116.67 120.55 3h1i s ASP 89 Ca 0.44 1.33 -0.09 0.00 0.71 0.00 0.00 52.55 54.93 3h1i s ASP 89 Cb 0.22 -2.40 -0.07 0.00 1.01 0.00 0.00 42.92 41.68 3h1i s ASP 89 CO 0.38 -0.46 0.63 -0.31 0.21 0.00 0.00 175.17 175.62 3h1i s TYR 90 N -2.45 3.45 0.01 4.23 1.51 -1.26 -3.41 117.35 119.43 3h1i s TYR 90 Ca 0.55 0.89 -0.37 0.00 -1.01 0.00 0.00 57.07 57.13 3h1i s TYR 90 Cb -0.10 -2.29 -0.15 0.00 -0.11 0.00 0.00 41.96 39.30 3h1i s TYR 90 CO 0.30 0.11 1.52 1.19 -1.11 0.00 0.00 175.55 177.56 3h1i n PHE 91 N -0.74 1.85 -1.68 2.71 3.72 -0.98 -4.79 117.46 117.55 3h1i n PHE 91 Ca 0.01 0.48 -0.61 0.00 -0.05 0.00 0.00 57.45 57.28 3h1i n PHE 91 Cb 0.53 -2.43 -0.08 0.00 -0.94 0.00 0.00 39.48 36.56 3h1i n PHE 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h1i n PRO 92 N 3.65 0.62 -2.45 -1.08 -0.02 -1.26 -4.42 135.00 130.03 3h1i n PRO 92 Ca 0.20 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 3h1i n PRO 92 Cb 0.21 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3h1i n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1i s LYS 93 N 2.53 4.62 0.26 -0.52 1.02 -1.26 -4.68 119.74 121.71 3h1i s LYS 93 Ca 0.98 1.83 0.24 0.00 0.02 0.00 0.00 55.97 59.03 3h1i s LYS 93 Cb -1.23 -3.19 0.31 0.00 -0.52 0.00 0.00 37.83 33.21 3h1i s LYS 93 CO 0.68 0.18 1.40 -1.00 -0.92 0.00 0.00 175.35 175.69 3h1i h PRO 94 N 3.87 0.00 -4.55 -1.68 0.13 -1.88 -3.45 132.00 124.43 3h1i h PRO 94 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 3h1i h PRO 94 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 3h1i h PRO 94 CO 0.67 0.00 -0.75 0.71 -0.23 0.00 0.00 178.00 178.40 3h1i s TYR 95 N -3.23 0.65 -1.14 1.56 1.51 -1.26 -5.01 117.35 110.43 3h1i s TYR 95 Ca 0.05 -0.30 0.16 0.00 -1.01 0.00 0.00 57.07 55.97 3h1i s TYR 95 Cb 0.09 -0.40 0.71 0.00 -0.11 0.00 0.00 41.96 42.25 3h1i s TYR 95 CO 0.71 -0.04 1.48 -0.35 -1.11 0.00 0.00 175.55 176.24 3h1i n PRO 96 N 2.19 0.08 -3.62 -1.71 -0.04 -1.26 -4.85 135.00 125.79 3h1i n PRO 96 Ca -0.18 0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 3h1i n PRO 96 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3h1i n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1i s ASN 97 N -2.86 -0.10 0.12 3.54 2.20 -1.26 -5.06 114.94 111.51 3h1i s ASN 97 Ca 0.10 0.05 -0.25 0.00 -0.94 0.00 0.00 52.86 51.82 3h1i s ASN 97 Cb 0.10 0.10 -0.07 0.00 -2.00 0.00 0.00 41.25 39.38 3h1i s ASN 97 CO 0.27 -0.14 1.66 1.55 -2.94 0.00 0.00 177.10 177.50 3h1i h PRO 98 N 2.06 -0.32 -0.92 3.55 0.13 -2.00 -2.20 132.00 132.30 3h1i h PRO 98 Ca -0.08 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.34 3h1i h PRO 98 Cb 1.16 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 3h1i h PRO 98 CO 0.22 -0.21 0.85 0.93 -0.23 0.00 0.00 178.00 179.56 3h1i h GLU 99 N -0.33 0.00 0.19 0.86 3.07 -2.00 0.25 114.58 116.61 3h1i h GLU 99 Ca 0.05 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.56 3h1i h GLU 99 Cb 0.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3h1i h GLU 99 CO -0.16 0.00 -1.68 0.00 -1.40 0.00 0.00 179.01 175.77 3h1i h ALA 100 N 1.16 0.13 -0.70 3.43 0.00 -1.83 -3.22 119.26 118.23 3h1i h ALA 100 Ca 0.44 -1.09 0.03 0.00 0.00 0.00 0.00 54.91 54.28 3h1i h ALA 100 Cb 2.14 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 20.27 3h1i h ALA 100 CO -0.00 0.99 0.45 0.00 0.00 0.00 0.00 179.25 180.68 3h1i h ALA 101 N 0.19 0.91 -0.48 0.00 0.00 -0.17 -2.56 119.26 117.15 3h1i h ALA 101 Ca -0.32 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3h1i h ALA 101 Cb 2.10 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 3h1i h ALA 101 CO 0.19 0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.77 3h1i h ARG 102 N 0.88 0.23 -0.07 0.00 3.08 -1.21 -1.35 114.38 115.94 3h1i h ARG 102 Ca 0.28 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3h1i h ARG 102 Cb -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3h1i h ARG 102 CO -0.10 0.15 0.04 0.00 -1.07 0.00 0.00 179.97 178.99 3h1i h ALA 103 N 1.37 1.94 -0.07 0.04 0.00 -1.47 0.33 119.26 121.40 3h1i h ALA 103 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h1i h ALA 103 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h1i h ALA 103 CO -0.31 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3h1i n ALA 104 N -2.53 2.57 -1.66 0.00 0.00 -0.53 -4.03 120.51 114.33 3h1i n ALA 104 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.02 3h1i n ALA 104 Cb 0.09 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.36 3h1i n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1i n ASN 105 N -0.00 0.24 -1.35 0.00 3.02 -0.68 -5.03 115.26 111.46 3h1i n ASN 105 Ca 0.18 -1.88 -0.04 0.00 -0.03 0.00 0.00 54.58 52.82 3h1i n ASN 105 Cb 0.29 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3h1i n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1i n ASN 106 N -0.13 -2.25 0.00 6.41 3.02 -0.80 -3.31 115.26 118.20 3h1i n ASN 106 Ca 0.01 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3h1i n ASN 106 Cb 0.64 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 3h1i n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1i n GLY 107 N -0.95 0.33 3.81 7.41 0.00 0.11 -4.97 105.19 110.92 3h1i n GLY 107 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3h1i n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1i s ALA 108 N -1.78 3.66 -0.70 4.61 0.00 -1.21 -4.94 121.76 121.39 3h1i s ALA 108 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 3h1i s ALA 108 Cb 0.00 -2.42 0.18 0.00 0.00 0.00 0.00 23.12 20.88 3h1i s ALA 108 CO 0.00 0.37 0.54 -1.17 0.00 0.00 0.00 175.76 175.50 3h1i s LEU 109 N -0.65 5.32 -0.65 0.00 2.96 -1.26 -3.86 118.68 120.54 3h1i s LEU 109 Ca 0.23 -3.13 -0.26 0.00 -0.22 0.00 0.00 54.13 50.75 3h1i s LEU 109 Cb -0.16 -1.86 -0.12 0.00 0.50 0.00 0.00 46.19 44.55 3h1i s LEU 109 CO 0.12 -0.31 2.44 -0.81 -1.32 0.00 0.00 176.35 176.47 3h1i n PRO 110 N 3.11 0.75 -1.69 0.98 -0.04 -1.26 -4.89 135.00 131.95 3h1i n PRO 110 Ca 0.12 -0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 3h1i n PRO 110 Cb 0.38 -3.16 -0.01 0.00 -0.04 0.00 0.00 33.50 30.67 3h1i n PRO 110 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3h1i n PRO 111 N 8.73 2.06 -1.67 0.54 -0.04 -1.26 -4.62 135.00 138.73 3h1i n PRO 111 Ca 0.44 0.72 -0.44 0.00 -0.04 0.00 0.00 63.50 64.18 3h1i n PRO 111 Cb 0.44 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 3h1i n PRO 111 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h1i n ASP 112 N 0.82 3.87 -3.93 3.54 -0.08 -1.26 -4.63 116.55 114.89 3h1i n ASP 112 Ca 0.05 0.95 -0.43 0.00 -1.51 0.00 0.00 54.79 53.85 3h1i n ASP 112 Cb 0.36 -1.48 0.01 0.00 2.34 0.00 0.00 41.12 42.34 3h1i n ASP 112 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3h1i n LEU 113 N 6.67 6.52 0.00 -2.67 4.77 -0.40 -4.47 117.00 127.43 3h1i n LEU 113 Ca 0.20 -4.73 -0.03 0.00 -0.03 0.00 0.00 56.01 51.43 3h1i n LEU 113 Cb 0.36 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 3h1i n LEU 113 CO 0.69 1.39 -0.23 -1.20 -1.33 0.00 0.00 177.39 176.71 3h1i n SER 114 N 3.57 1.35 -1.81 -1.43 7.64 -1.26 -4.68 113.62 117.00 3h1i n SER 114 Ca 0.37 0.20 -0.11 0.00 1.01 0.00 0.00 58.87 60.34 3h1i n SER 114 Cb 0.36 -0.46 0.23 0.00 -1.01 0.00 0.00 64.21 63.34 3h1i n SER 114 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3h1i n TYR 115 N -3.79 2.26 0.26 1.43 4.02 -1.26 -2.47 117.16 117.62 3h1i n TYR 115 Ca -0.05 -1.50 -0.16 0.00 -0.01 0.00 0.00 57.90 56.19 3h1i n TYR 115 Cb 0.18 -0.71 -0.08 0.00 -0.02 0.00 0.00 39.34 38.70 3h1i n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1i h ILE 116 N 1.64 0.55 -0.12 -0.72 6.09 -1.83 -1.84 117.51 121.27 3h1i h ILE 116 Ca 0.37 -0.05 0.04 0.00 -1.37 0.00 0.00 64.86 63.85 3h1i h ILE 116 Cb 2.31 0.57 -0.00 0.00 0.47 0.00 0.00 36.82 40.17 3h1i h ILE 116 CO 0.75 0.01 0.44 -0.37 -3.07 0.00 0.00 178.15 175.91 3h1i h VAL 117 N -0.65 0.09 -0.01 2.19 -1.51 -1.85 0.27 116.25 114.78 3h1i h VAL 117 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3h1i h VAL 117 Cb 0.49 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 3h1i h VAL 117 CO 0.10 0.00 -0.27 0.59 -1.23 0.00 0.00 177.57 176.77 3h1i n ASN 118 N -3.06 1.87 0.05 4.19 3.02 -0.99 -3.62 115.26 116.72 3h1i n ASN 118 Ca 0.01 -1.44 0.10 0.00 -0.03 0.00 0.00 54.58 53.22 3h1i n ASN 118 Cb 0.52 0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 39.97 3h1i n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1i n ALA 119 N 0.16 2.56 -2.51 5.41 0.00 0.92 -4.87 120.51 122.17 3h1i n ALA 119 Ca 0.08 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 3h1i n ALA 119 Cb 0.38 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 3h1i n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1i s ARG 120 N -3.37 2.14 1.12 0.00 1.81 -1.01 -5.09 118.95 114.54 3h1i s ARG 120 Ca -0.04 -0.96 -0.14 0.00 -1.72 0.00 0.00 55.73 52.87 3h1i s ARG 120 Cb 0.11 -2.26 0.25 0.00 -0.45 0.00 0.00 34.95 32.60 3h1i s ARG 120 CO 0.84 0.54 1.06 -1.01 -0.68 0.00 0.00 175.30 176.05 3h1i s HIS 121 N -1.02 1.47 0.00 -0.53 3.76 -1.26 -3.00 115.29 114.71 3h1i s HIS 121 Ca 0.17 0.93 0.00 0.00 -0.15 0.00 0.00 55.06 56.01 3h1i s HIS 121 Cb -0.11 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.37 3h1i s HIS 121 CO 0.08 -3.51 0.00 0.41 -0.85 0.00 0.00 174.74 170.86 3h1i n GLY 122 N -0.33 0.77 7.00 -2.22 0.00 -1.26 -4.56 105.19 104.59 3h1i n GLY 122 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3h1i n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1i n GLY 123 N -0.58 2.64 0.41 -0.02 0.00 -1.16 -1.52 105.19 104.96 3h1i n GLY 123 Ca 0.00 -0.21 0.30 0.00 0.00 0.00 0.00 46.02 46.11 3h1i n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1i h GLU 124 N 0.00 0.20 0.00 1.61 9.09 -1.89 2.05 114.58 125.65 3h1i h GLU 124 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 3h1i h GLU 124 Cb 0.00 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.05 3h1i h GLU 124 CO 0.00 0.13 -0.04 -0.44 0.05 0.00 0.00 179.01 178.71 3h1i h ASP 125 N 0.21 0.00 0.00 3.06 3.45 -1.62 0.53 116.42 122.05 3h1i h ASP 125 Ca 0.75 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.91 3h1i h ASP 125 Cb 2.09 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 40.81 3h1i h ASP 125 CO -0.47 0.04 -1.95 0.00 -1.57 0.00 0.00 179.24 175.30 3h1i n TYR 126 N -3.29 0.14 -0.29 4.55 9.36 0.65 -3.62 117.16 124.66 3h1i n TYR 126 Ca -0.01 0.06 0.16 0.00 3.32 0.00 0.00 57.90 61.43 3h1i n TYR 126 Cb 0.21 -0.87 0.43 0.00 -0.63 0.00 0.00 39.34 38.48 3h1i n TYR 126 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3h1i h VAL 127 N -1.00 0.70 0.27 2.97 2.07 -0.29 0.76 116.25 121.73 3h1i h VAL 127 Ca -0.46 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3h1i h VAL 127 Cb 1.38 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3h1i h VAL 127 CO -0.28 0.10 -0.13 0.15 0.02 0.00 0.00 177.57 177.43 3h1i h PHE 128 N 0.57 -0.34 -0.99 1.57 3.57 -1.09 -2.86 116.94 117.37 3h1i h PHE 128 Ca 0.51 -0.01 0.37 0.00 3.53 0.00 0.00 57.97 62.37 3h1i h PHE 128 Cb 1.04 0.11 -0.17 0.00 2.79 0.00 0.00 35.95 39.72 3h1i h PHE 128 CO -0.00 -0.21 0.49 0.77 -2.23 0.00 0.00 178.31 177.13 3h1i h SER 129 N -0.45 0.29 0.23 0.41 0.02 -1.41 0.64 113.55 113.29 3h1i h SER 129 Ca -0.04 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3h1i h SER 129 Cb 0.28 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3h1i h SER 129 CO 0.06 -0.34 -0.11 0.25 -1.14 0.00 0.00 176.83 175.56 3h1i h LEU 130 N 0.10 -0.26 -0.80 5.07 5.85 -0.88 0.81 115.31 125.20 3h1i h LEU 130 Ca 0.78 -0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.54 3h1i h LEU 130 Cb 1.95 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.97 3h1i h LEU 130 CO -0.73 -0.07 0.40 -0.07 -0.34 0.00 0.00 178.44 177.63 3h1i h LEU 131 N -0.44 0.50 0.00 2.25 3.38 -0.65 -3.22 115.31 117.13 3h1i h LEU 131 Ca -0.03 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3h1i h LEU 131 Cb 0.33 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3h1i h LEU 131 CO 0.05 0.24 -0.27 0.71 0.09 0.00 0.00 178.44 179.27 3h1i h THR 132 N 0.62 0.60 -0.69 0.22 1.35 -1.31 -3.40 112.91 110.29 3h1i h THR 132 Ca 0.42 -1.51 0.20 0.00 -0.55 0.00 0.00 66.41 64.96 3h1i h THR 132 Cb 0.53 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 3h1i h THR 132 CO -0.33 0.20 0.80 0.61 -0.25 0.00 0.00 175.52 176.56 3h1i n GLY 133 N 1.66 -0.50 3.05 5.82 0.00 0.28 -4.80 105.19 110.70 3h1i n GLY 133 Ca -0.08 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3h1i n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h1i n TYR 134 N -2.57 -0.46 0.00 1.61 0.53 -1.25 -4.76 117.16 110.25 3h1i n TYR 134 Ca 0.16 0.87 0.00 0.00 -1.02 0.00 0.00 57.90 57.90 3h1i n TYR 134 Cb 1.01 -1.76 0.00 0.00 -1.03 0.00 0.00 39.34 37.56 3h1i n TYR 134 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3h1i s ASP 136 N 0.00 5.86 0.56 0.00 1.01 -1.26 -4.50 116.67 118.34 3h1i s ASP 136 Ca 0.00 2.21 -0.19 0.00 0.71 0.00 0.00 52.55 55.28 3h1i s ASP 136 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 3h1i s ASP 136 CO 0.00 -1.13 1.12 -2.16 0.21 0.00 0.00 175.17 173.21 3h1i s PRO 137 N -3.12 3.30 0.84 8.23 0.04 -1.26 -5.02 135.00 138.01 3h1i s PRO 137 Ca 0.70 1.54 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 3h1i s PRO 137 Cb -0.25 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.48 3h1i s PRO 137 CO 0.29 -0.88 1.12 -0.35 0.04 0.00 0.00 177.00 177.22 3h1i n PRO 138 N -1.48 -1.21 -1.95 0.56 -0.04 -1.26 -4.92 135.00 124.70 3h1i n PRO 138 Ca 0.11 -1.73 -0.41 0.00 -0.04 0.00 0.00 63.50 61.44 3h1i n PRO 138 Cb 0.51 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 3h1i n PRO 138 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i s ALA 139 N -3.92 3.58 0.00 0.55 0.00 -1.26 -2.47 121.76 118.25 3h1i s ALA 139 Ca 0.64 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3h1i s ALA 139 Cb -0.02 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3h1i s ALA 139 CO 0.45 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3h1i n GLY 140 N 1.16 1.38 3.44 0.00 0.00 -1.26 -5.02 105.19 104.88 3h1i n GLY 140 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3h1i n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1i s VAL 141 N -2.81 5.05 -0.43 1.61 1.01 -1.03 -5.05 120.40 118.74 3h1i s VAL 141 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 3h1i s VAL 141 Cb 0.00 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.66 3h1i s VAL 141 CO 0.00 -0.26 0.29 0.68 0.00 0.00 0.00 175.10 175.80 3h1i s VAL 142 N 1.64 4.43 -0.52 2.92 -7.23 -1.26 -4.74 120.40 115.65 3h1i s VAL 142 Ca 0.04 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 58.62 3h1i s VAL 142 Cb -0.19 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.09 3h1i s VAL 142 CO 0.09 -0.52 1.05 -0.69 -0.31 0.00 0.00 175.10 174.72 3h1i s VAL 143 N 1.47 4.27 0.26 1.32 1.01 -1.26 -4.98 120.40 122.48 3h1i s VAL 143 Ca 0.03 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 3h1i s VAL 143 Cb -0.23 -4.58 -0.12 0.00 0.00 0.00 0.00 36.38 31.46 3h1i s VAL 143 CO 0.03 -1.08 0.14 -1.14 0.00 0.00 0.00 175.10 173.06 3h1i n ARG 144 N 7.73 0.00 -1.60 2.72 0.63 -1.26 -4.75 116.66 120.13 3h1i n ARG 144 Ca 0.07 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.56 3h1i n ARG 144 Cb 0.49 -0.73 -0.01 0.00 0.45 0.00 0.00 32.46 32.66 3h1i n ARG 144 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3h1i n GLU 145 N 0.91 1.41 0.00 -0.14 2.13 -1.26 -2.37 120.64 121.32 3h1i n GLU 145 Ca 0.09 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3h1i n GLU 145 Cb 0.26 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3h1i n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1i n GLY 146 N 1.19 2.67 4.02 8.31 0.00 -1.26 -5.02 105.19 115.09 3h1i n GLY 146 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3h1i n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1i s LEU 147 N 0.00 3.21 0.01 0.99 1.43 -1.00 -4.88 118.68 118.44 3h1i s LEU 147 Ca 0.00 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3h1i s LEU 147 Cb 0.00 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3h1i s LEU 147 CO 0.00 -1.17 -0.03 -1.00 0.23 0.00 0.00 176.35 174.38 3h1i s HIS 148 N -2.59 0.28 0.39 0.29 3.76 -0.53 -4.92 115.29 111.97 3h1i s HIS 148 Ca 0.58 -0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 55.03 3h1i s HIS 148 Cb -0.06 -0.18 -0.09 0.00 1.11 0.00 0.00 32.58 33.35 3h1i s HIS 148 CO 0.36 -0.06 1.09 -0.47 -0.85 0.00 0.00 174.74 174.81 3h1i s TYR 149 N -0.56 3.24 -0.30 1.40 5.04 -1.26 -1.23 117.35 123.69 3h1i s TYR 149 Ca -0.04 1.63 -0.03 0.00 -2.44 0.00 0.00 57.07 56.18 3h1i s TYR 149 Cb -0.04 -3.22 0.19 0.00 0.35 0.00 0.00 41.96 39.24 3h1i s TYR 149 CO -0.00 -0.82 0.79 1.21 -1.34 0.00 0.00 175.55 175.39 3h1i s ASN 150 N -1.37 -1.06 0.48 4.32 3.84 0.89 -3.98 114.94 118.06 3h1i s ASN 150 Ca 0.56 0.30 0.21 0.00 0.21 0.00 0.00 52.86 54.14 3h1i s ASN 150 Cb -0.26 1.75 1.23 0.00 -0.55 0.00 0.00 41.25 43.42 3h1i s ASN 150 CO 0.32 -0.20 1.95 1.55 -2.79 0.00 0.00 177.10 177.93 3h1i h PRO 151 N 7.80 0.21 -0.02 0.43 0.13 -1.86 -2.14 132.00 136.55 3h1i h PRO 151 Ca -0.10 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 3h1i h PRO 151 Cb 1.18 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3h1i h PRO 151 CO 0.06 0.14 -0.53 1.88 -0.23 0.00 0.00 178.00 179.32 3h1i h TYR 152 N 0.21 0.05 -3.71 1.56 0.05 -1.92 -3.35 116.97 109.87 3h1i h TYR 152 Ca 0.33 -0.02 -0.50 0.00 0.05 0.00 0.00 58.73 58.60 3h1i h TYR 152 Cb 1.00 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 3h1i h TYR 152 CO -0.00 0.57 0.36 0.12 -1.05 0.00 0.00 178.16 178.16 3h1i s PHE 153 N -3.83 3.92 -0.07 4.88 5.36 -0.80 -4.77 117.98 122.67 3h1i s PHE 153 Ca -0.02 1.87 -0.30 0.00 -0.96 0.00 0.00 56.93 57.53 3h1i s PHE 153 Cb 0.13 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.74 3h1i s PHE 153 CO 0.76 0.33 1.57 -1.25 -1.46 0.00 0.00 175.22 175.16 3h1i s PRO 154 N -0.91 4.20 0.00 10.12 0.04 -1.26 -0.42 135.00 146.77 3h1i s PRO 154 Ca 0.43 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.55 3h1i s PRO 154 Cb -0.26 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.37 3h1i s PRO 154 CO 0.32 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3h1i n GLY 155 N 4.00 2.63 4.87 0.56 0.00 -1.26 -4.62 105.19 111.37 3h1i n GLY 155 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3h1i n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1i n GLN 156 N -1.22 0.00 -3.50 1.61 3.00 0.45 -4.83 117.38 112.88 3h1i n GLN 156 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3h1i n GLN 156 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 30.24 26.49 3h1i n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1i s ALA 157 N -0.87 3.54 0.57 -1.58 0.00 -1.26 -0.07 121.76 122.08 3h1i s ALA 157 Ca 0.00 -2.70 0.04 0.00 0.00 0.00 0.00 51.96 49.29 3h1i s ALA 157 Cb 0.00 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 20.21 3h1i s ALA 157 CO 0.00 -1.99 0.79 -1.50 0.00 0.00 0.00 175.76 173.06 3h1i s ILE 158 N 1.12 2.53 -0.20 0.00 2.07 -0.36 -4.87 121.20 121.49 3h1i s ILE 158 Ca 0.08 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 58.56 3h1i s ILE 158 Cb -0.24 -2.76 0.03 0.00 0.13 0.00 0.00 42.46 39.62 3h1i s ILE 158 CO -0.01 0.00 0.74 0.61 -1.91 0.00 0.00 174.94 174.36 3h1i n GLY 159 N -2.34 0.27 3.63 1.50 0.00 -1.26 -1.45 105.19 105.54 3h1i n GLY 159 Ca 0.11 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3h1i n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1i s MET 160 N -0.46 3.99 0.18 1.61 0.00 -1.26 -4.91 119.30 118.44 3h1i s MET 160 Ca 0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 55.69 55.09 3h1i s MET 160 Cb 0.02 -3.35 -0.08 0.00 0.00 0.00 0.00 34.83 31.42 3h1i s MET 160 CO 0.02 0.16 0.98 0.00 0.00 0.00 0.00 175.02 176.18 3h1i s ALA 161 N 0.72 3.31 -0.68 4.11 0.00 -1.26 -4.81 121.76 123.15 3h1i s ALA 161 Ca 0.05 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 3h1i s ALA 161 Cb -0.13 -3.27 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 3h1i s ALA 161 CO 0.02 0.03 1.84 -2.30 0.00 0.00 0.00 175.76 175.35 3h1i n PRO 162 N 2.13 0.00 0.26 0.00 -0.02 -1.26 -4.75 135.00 131.36 3h1i n PRO 162 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 3h1i n PRO 162 Cb 0.48 -1.02 0.66 0.00 -0.02 0.00 0.00 33.50 33.59 3h1i n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1i h PRO 163 N 8.17 0.00 -5.34 0.52 0.13 -1.90 -3.44 132.00 130.14 3h1i h PRO 163 Ca -0.03 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.60 3h1i h PRO 163 Cb 0.89 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.73 3h1i h PRO 163 CO 0.95 0.13 -0.81 0.96 -0.23 0.00 0.00 178.00 178.99 3h1i s ILE 164 N -3.88 1.15 -0.07 -3.56 -4.36 -1.26 -5.01 121.20 104.20 3h1i s ILE 164 Ca -0.01 -0.63 -0.09 0.00 -0.26 0.00 0.00 60.65 59.66 3h1i s ILE 164 Cb 0.11 -0.96 0.02 0.00 1.25 0.00 0.00 42.46 42.88 3h1i s ILE 164 CO 0.58 0.32 0.23 -0.72 0.24 0.00 0.00 174.94 175.59 3h1i s TYR 165 N -0.36 -0.22 0.01 1.37 -0.00 -1.26 -5.01 117.35 111.89 3h1i s TYR 165 Ca 0.06 0.52 -0.11 0.00 -0.00 0.00 0.00 57.07 57.53 3h1i s TYR 165 Cb -0.06 0.07 -0.06 0.00 -0.00 0.00 0.00 41.96 41.92 3h1i s TYR 165 CO -0.01 -0.16 0.29 0.09 -0.00 0.00 0.00 175.55 175.76 3h1i n ASN 166 N 2.66 -0.05 0.00 -0.18 3.02 -1.26 -0.94 115.26 118.52 3h1i n ASN 166 Ca -0.14 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3h1i n ASN 166 Cb 0.58 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 3h1i n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1i n GLU 167 N 0.41 -1.62 0.00 3.52 1.02 0.15 -4.80 120.64 119.32 3h1i n GLU 167 Ca 0.06 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3h1i n GLU 167 Cb 0.03 -4.88 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 3h1i n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1i n ILE 168 N -2.01 0.42 -2.89 -3.67 3.06 -0.11 -4.50 119.36 109.65 3h1i n ILE 168 Ca 0.00 0.27 0.00 0.00 -2.50 0.00 0.00 62.75 60.52 3h1i n ILE 168 Cb 0.41 -1.27 0.00 0.00 0.54 0.00 0.00 39.64 39.31 3h1i n ILE 168 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3h1i n LEU 169 N -0.96 0.00 -3.39 9.51 -0.00 -1.26 -5.07 117.00 115.82 3h1i n LEU 169 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 3h1i n LEU 169 Cb 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.49 3h1i n LEU 169 CO 0.00 0.00 -0.10 -1.61 -0.00 0.00 0.00 177.39 175.68 3h1i s GLU 170 N -1.15 0.30 0.11 1.47 2.02 -1.26 -4.86 118.70 115.33 3h1i s GLU 170 Ca 0.00 0.41 -0.31 0.00 0.02 0.00 0.00 54.97 55.09 3h1i s GLU 170 Cb 0.00 -0.71 -0.09 0.00 0.10 0.00 0.00 34.13 33.44 3h1i s GLU 170 CO 0.00 -0.66 1.53 0.71 0.02 0.00 0.00 175.26 176.86 3h1i s TYR 171 N 2.48 2.93 -1.71 1.61 1.51 -1.26 -4.86 117.35 118.04 3h1i s TYR 171 Ca 0.11 0.64 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 3h1i s TYR 171 Cb -0.15 -3.86 0.00 0.00 -0.11 0.00 0.00 41.96 37.84 3h1i s TYR 171 CO -0.15 -3.20 0.45 -0.40 -1.11 0.00 0.00 175.55 171.13 3h1i n ASP 172 N 4.50 0.15 -0.42 2.29 5.68 -1.26 -2.32 116.55 125.16 3h1i n ASP 172 Ca 0.14 -1.05 0.08 0.00 -0.50 0.00 0.00 54.79 53.45 3h1i n ASP 172 Cb 0.40 -0.08 0.02 0.00 -1.14 0.00 0.00 41.12 40.32 3h1i n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1i n ASP 173 N -0.29 1.76 0.00 -1.12 5.75 -1.26 -4.98 116.55 116.42 3h1i n ASP 173 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 3h1i n ASP 173 Cb 0.04 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3h1i n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1i n GLY 174 N 1.05 0.91 3.80 6.12 0.00 -0.98 -5.07 105.19 111.01 3h1i n GLY 174 Ca 0.07 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 3h1i n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1i s THR 175 N -2.00 4.70 -0.72 2.61 2.01 -1.26 -4.96 115.64 116.02 3h1i s THR 175 Ca 0.00 1.31 -0.25 0.00 0.31 0.00 0.00 61.69 63.07 3h1i s THR 175 Cb 0.00 -3.95 -0.14 0.00 0.01 0.00 0.00 72.50 68.42 3h1i s THR 175 CO 0.00 0.52 2.41 -2.65 -0.69 0.00 0.00 174.62 174.22 3h1i n PRO 176 N 1.88 0.63 -0.12 4.92 -0.02 -1.26 -4.44 135.00 136.60 3h1i n PRO 176 Ca -0.09 -0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 60.93 3h1i n PRO 176 Cb 0.50 -3.25 -0.02 0.00 -0.02 0.00 0.00 33.50 30.72 3h1i n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1i n ALA 177 N 16.18 1.71 -1.45 3.55 0.00 -1.26 -4.75 120.51 134.49 3h1i n ALA 177 Ca 0.47 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 3h1i n ALA 177 Cb 0.42 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.74 3h1i n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1i s THR 178 N 2.58 3.71 0.03 0.00 -4.23 -1.26 0.33 115.64 116.81 3h1i s THR 178 Ca 0.07 0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 3h1i s THR 178 Cb 0.03 -3.20 -0.08 0.00 1.34 0.00 0.00 72.50 70.60 3h1i s THR 178 CO 0.00 -0.73 1.24 -0.03 -0.54 0.00 0.00 174.62 174.56 3h1i h MET 179 N -0.90 -0.43 -0.46 3.99 1.85 -1.89 -1.89 114.93 115.21 3h1i h MET 179 Ca -0.44 0.03 0.13 0.00 -0.61 0.00 0.00 59.70 58.81 3h1i h MET 179 Cb 1.22 0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.33 3h1i h MET 179 CO 0.55 -0.29 0.49 0.66 -0.40 0.00 0.00 176.91 177.92 3h1i h SER 180 N -0.45 0.00 0.54 1.39 4.64 -1.96 0.56 113.55 118.26 3h1i h SER 180 Ca -0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 3h1i h SER 180 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3h1i h SER 180 CO -0.01 0.00 -0.65 -0.61 -0.87 0.00 0.00 176.83 174.69 3h1i h GLN 181 N 0.00 0.10 0.00 4.77 5.75 -1.72 -2.04 115.11 121.98 3h1i h GLN 181 Ca 0.22 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3h1i h GLN 181 Cb 1.19 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3h1i h GLN 181 CO -0.00 0.72 0.00 -0.89 -2.65 0.00 0.00 178.83 176.01 3h1i n ILE 182 N -3.80 0.00 0.18 2.39 5.41 0.19 -2.22 119.36 121.51 3h1i n ILE 182 Ca -0.02 0.81 0.02 0.00 1.00 0.00 0.00 62.75 64.57 3h1i n ILE 182 Cb 0.65 -1.75 0.11 0.00 -0.71 0.00 0.00 39.64 37.93 3h1i n ILE 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1i h ALA 183 N -2.00 1.46 0.00 -1.39 0.00 -1.43 1.05 119.26 116.95 3h1i h ALA 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1i h ALA 183 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h1i h ALA 183 CO 0.00 -0.46 -0.16 -0.22 0.00 0.00 0.00 179.25 178.41 3h1i h LYS 184 N 0.00 0.00 -0.69 0.00 3.11 -1.37 -3.11 116.57 114.51 3h1i h LYS 184 Ca 0.00 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 57.96 3h1i h LYS 184 Cb 1.29 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.44 3h1i h LYS 184 CO 0.00 0.00 0.26 -0.44 -2.81 0.00 0.00 179.45 176.46 3h1i h ASP 185 N -0.94 0.23 0.30 4.20 3.32 0.15 0.13 116.42 123.81 3h1i h ASP 185 Ca 0.00 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3h1i h ASP 185 Cb 0.16 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3h1i h ASP 185 CO 0.00 0.11 -0.43 1.62 -1.72 0.00 0.00 179.24 178.82 3h1i h VAL 186 N 0.42 1.32 -0.10 -1.35 3.04 -1.15 -1.13 116.25 117.28 3h1i h VAL 186 Ca 0.37 -1.54 -0.17 0.00 -1.01 0.00 0.00 66.70 64.35 3h1i h VAL 186 Cb 0.52 1.74 0.01 0.00 -2.01 0.00 0.00 31.29 31.54 3h1i h VAL 186 CO -0.37 0.45 -0.60 0.00 -1.01 0.00 0.00 177.57 176.04 3h1i h THR 188 N 0.21 1.00 0.54 0.00 2.02 -0.59 -2.62 112.91 113.47 3h1i h THR 188 Ca -0.05 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3h1i h THR 188 Cb 1.25 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3h1i h THR 188 CO 0.12 0.08 -0.26 0.15 0.37 0.00 0.00 175.52 175.99 3h1i h PHE 189 N 0.44 -0.67 0.00 3.16 3.57 -1.03 -3.15 116.94 119.26 3h1i h PHE 189 Ca 0.20 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3h1i h PHE 189 Cb 0.22 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3h1i h PHE 189 CO -0.00 -0.42 0.54 1.28 -2.23 0.00 0.00 178.31 177.48 3h1i n LEU 190 N -5.16 0.13 0.00 0.59 4.77 -0.25 -0.47 117.00 116.62 3h1i n LEU 190 Ca -0.09 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3h1i n LEU 190 Cb 0.28 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3h1i n LEU 190 CO 0.22 -0.40 0.00 -1.14 -1.33 0.00 0.00 177.39 174.74 3h1i n ARG 191 N -1.80 0.00 -0.22 3.23 3.00 -1.07 -3.31 116.66 116.50 3h1i n ARG 191 Ca -0.00 0.24 -0.03 0.00 -0.00 0.00 0.00 57.85 58.05 3h1i n ARG 191 Cb 0.54 -0.69 -0.02 0.00 0.00 0.00 0.00 32.46 32.30 3h1i n ARG 191 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 3h1i n TRP 192 N -1.65 -0.11 -0.32 -0.14 -0.00 0.39 0.23 117.44 115.84 3h1i n TRP 192 Ca 0.00 0.69 0.19 0.00 -0.00 0.00 0.00 57.50 58.39 3h1i n TRP 192 Cb 0.00 -0.63 0.45 0.00 -0.00 0.00 0.00 31.31 31.14 3h1i n TRP 192 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3h1i h ALA 193 N 0.53 2.06 0.00 5.87 0.00 -1.35 0.39 119.26 126.76 3h1i h ALA 193 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h1i h ALA 193 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h1i h ALA 193 CO -0.54 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.27 3h1i n ALA 194 N -2.44 2.40 -2.67 0.00 0.00 0.61 -4.51 120.51 113.91 3h1i n ALA 194 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 3h1i n ALA 194 Cb 0.76 -1.47 0.09 0.00 0.00 0.00 0.00 19.45 18.82 3h1i n ALA 194 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3h1i n GLU 195 N -1.37 0.14 -0.33 0.00 0.28 0.10 -4.87 120.64 114.59 3h1i n GLU 195 Ca 0.11 -0.71 0.27 0.00 -0.16 0.00 0.00 57.16 56.67 3h1i n GLU 195 Cb 0.28 -0.22 0.51 0.00 1.43 0.00 0.00 31.44 33.43 3h1i n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3h1i h PRO 196 N 2.91 0.03 -0.61 3.44 0.11 -0.77 -0.21 132.00 136.91 3h1i h PRO 196 Ca -0.25 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.97 3h1i h PRO 196 Cb 1.21 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 3h1i h PRO 196 CO -0.14 0.02 -0.21 1.05 -0.21 0.00 0.00 178.00 178.52 3h1i h GLU 197 N 0.04 -0.05 0.00 1.05 9.09 -1.96 -3.36 114.58 119.38 3h1i h GLU 197 Ca 0.78 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.19 3h1i h GLU 197 Cb 1.95 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 29.06 3h1i h GLU 197 CO -0.79 -0.03 0.00 1.58 0.05 0.00 0.00 179.01 179.82 3h1i n HIS 198 N -5.44 0.00 -0.04 2.06 -0.00 -0.09 -0.53 115.22 111.18 3h1i n HIS 198 Ca 0.07 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.12 3h1i n HIS 198 Cb 0.34 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.12 3h1i n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1i h ASP 199 N 0.00 -1.53 -0.91 0.26 5.19 -1.86 -1.59 116.42 115.97 3h1i h ASP 199 Ca 0.00 0.19 0.08 0.00 -0.62 0.00 0.00 57.03 56.68 3h1i h ASP 199 Cb 0.00 0.61 -0.06 0.00 0.18 0.00 0.00 39.33 40.06 3h1i h ASP 199 CO 0.00 -0.40 0.59 -0.61 -3.12 0.00 0.00 179.24 175.70 3h1i h GLN 200 N -0.46 0.95 -0.71 3.56 4.15 -1.12 0.24 115.11 121.73 3h1i h GLN 200 Ca 0.04 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.54 3h1i h GLN 200 Cb 0.57 -0.21 -0.10 0.00 0.21 0.00 0.00 27.48 27.94 3h1i h GLN 200 CO -0.42 0.63 0.21 -0.09 -1.93 0.00 0.00 178.83 177.23 3h1i h ARG 201 N 0.98 0.32 0.22 1.69 2.43 -1.29 0.11 114.38 118.83 3h1i h ARG 201 Ca 0.40 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.23 3h1i h ARG 201 Cb 0.29 -0.07 0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3h1i h ARG 201 CO -0.16 0.21 -1.44 0.87 -1.51 0.00 0.00 179.97 177.94 3h1i h LYS 202 N 0.33 0.47 -0.45 0.20 1.57 -0.31 -1.68 116.57 116.70 3h1i h LYS 202 Ca 0.39 -0.81 0.04 0.00 -1.87 0.00 0.00 60.65 58.41 3h1i h LYS 202 Cb 0.63 0.30 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 3h1i h LYS 202 CO -0.45 1.38 0.21 -0.09 -0.57 0.00 0.00 179.45 179.93 3h1i h ARG 203 N 0.13 0.41 0.67 3.15 2.43 -0.09 0.87 114.38 121.94 3h1i h ARG 203 Ca -0.23 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 3h1i h ARG 203 Cb 2.12 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.59 3h1i h ARG 203 CO 0.26 0.27 -0.32 0.52 -1.51 0.00 0.00 179.97 179.18 3h1i h MET 204 N 0.42 -0.86 -0.98 0.20 2.86 -0.87 -1.80 114.93 113.89 3h1i h MET 204 Ca 0.20 0.06 0.38 0.00 -2.06 0.00 0.00 59.70 58.28 3h1i h MET 204 Cb 0.13 0.20 -0.14 0.00 0.06 0.00 0.00 31.60 31.85 3h1i h MET 204 CO -0.16 -0.56 0.58 0.41 1.06 0.00 0.00 176.91 178.24 3h1i n GLY 205 N -1.31 -0.67 0.00 8.32 0.00 -0.63 -0.16 105.19 110.73 3h1i n GLY 205 Ca -0.13 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3h1i n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h1i n LEU 206 N -4.70 0.47 -0.24 0.99 7.94 0.22 -1.52 117.00 120.16 3h1i n LEU 206 Ca 0.33 0.53 0.10 0.00 -1.11 0.00 0.00 56.01 55.87 3h1i n LEU 206 Cb 1.19 -0.14 0.20 0.00 0.53 0.00 0.00 43.42 45.20 3h1i n LEU 206 CO 0.07 -0.14 0.55 0.29 -1.11 0.00 0.00 177.39 177.05 3h1i n LYS 207 N -0.93 -0.06 0.05 1.96 5.02 0.60 0.13 118.16 124.92 3h1i n LYS 207 Ca 0.00 1.04 -0.11 0.00 -2.02 0.00 0.00 58.31 57.22 3h1i n LYS 207 Cb 0.00 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.31 3h1i n LYS 207 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3h1i h MET 208 N 0.00 -0.25 -0.52 1.97 4.05 -0.57 0.21 114.93 119.82 3h1i h MET 208 Ca 0.42 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.89 3h1i h MET 208 Cb 0.87 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.69 3h1i h MET 208 CO -0.65 -0.17 0.30 -0.07 0.23 0.00 0.00 176.91 176.55 3h1i h LEU 209 N -0.26 0.47 -0.60 3.39 3.38 0.21 0.11 115.31 122.01 3h1i h LEU 209 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h1i h LEU 209 Cb 0.35 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3h1i h LEU 209 CO -0.18 0.33 0.30 -0.07 0.09 0.00 0.00 178.44 178.91 3h1i h LEU 210 N 0.59 0.78 -0.29 1.67 3.38 -0.35 0.88 115.31 121.97 3h1i h LEU 210 Ca 0.21 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3h1i h LEU 210 Cb 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3h1i h LEU 210 CO -0.11 0.68 -0.59 0.40 0.09 0.00 0.00 178.44 178.91 3h1i h ILE 211 N 0.82 1.28 -0.19 1.22 1.08 -0.48 -2.75 117.51 118.48 3h1i h ILE 211 Ca 0.21 -1.77 -0.03 0.00 -0.39 0.00 0.00 64.86 62.87 3h1i h ILE 211 Cb 0.10 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 3h1i h ILE 211 CO -0.03 0.58 -0.04 -1.28 -0.69 0.00 0.00 178.15 176.69 3h1i h SER 212 N 0.64 0.25 0.23 1.72 0.87 -0.49 0.24 113.55 117.03 3h1i h SER 212 Ca 0.00 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3h1i h SER 212 Cb 1.20 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3h1i h SER 212 CO 0.13 0.34 -0.11 0.00 -0.53 0.00 0.00 176.83 176.65 3h1i h ALA 213 N 1.70 -0.32 0.04 6.23 0.00 -0.76 -1.95 119.26 124.20 3h1i h ALA 213 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h1i h ALA 213 Cb 0.25 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3h1i h ALA 213 CO 0.01 -0.45 -0.16 1.25 0.00 0.00 0.00 179.25 179.90 3h1i h LEU 214 N -0.78 -0.47 -0.37 0.00 5.85 -1.22 -2.16 115.31 116.17 3h1i h LEU 214 Ca -0.03 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3h1i h LEU 214 Cb 0.51 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3h1i h LEU 214 CO 0.05 -0.23 0.10 0.25 -0.34 0.00 0.00 178.44 178.27 3h1i h LEU 215 N -0.29 0.55 -0.14 2.25 5.85 -0.63 0.12 115.31 123.03 3h1i h LEU 215 Ca 0.04 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3h1i h LEU 215 Cb 0.34 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3h1i h LEU 215 CO -0.13 0.63 -0.00 0.74 -0.34 0.00 0.00 178.44 179.34 3h1i h THR 216 N 0.45 0.90 0.47 1.05 2.02 -1.32 -1.67 112.91 114.81 3h1i h THR 216 Ca 0.12 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3h1i h THR 216 Cb 0.29 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3h1i h THR 216 CO -0.00 0.01 -0.37 0.28 0.37 0.00 0.00 175.52 175.81 3h1i h SER 217 N 0.05 -0.98 -0.87 4.18 0.02 -1.23 -1.20 113.55 113.52 3h1i h SER 217 Ca 0.06 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.19 3h1i h SER 217 Cb 0.08 0.31 -0.12 0.00 0.14 0.00 0.00 62.40 62.80 3h1i h SER 217 CO -0.11 -0.52 -0.42 0.18 -1.14 0.00 0.00 176.83 174.81 3h1i n LEU 218 N -4.67 -0.74 0.19 5.07 4.77 0.42 -0.25 117.00 121.80 3h1i n LEU 218 Ca -0.10 1.53 0.04 0.00 -0.03 0.00 0.00 56.01 57.45 3h1i n LEU 218 Cb 0.35 -0.27 0.45 0.00 -2.33 0.00 0.00 43.42 41.62 3h1i n LEU 218 CO 0.22 -1.31 0.86 -0.07 -1.33 0.00 0.00 177.39 175.77 3h1i h LEU 219 N 0.00 0.05 -0.55 2.23 3.38 -1.15 -2.34 115.31 116.93 3h1i h LEU 219 Ca 0.22 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3h1i h LEU 219 Cb 0.44 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3h1i h LEU 219 CO -0.84 0.27 0.30 0.22 0.09 0.00 0.00 178.44 178.48 3h1i h TYR 220 N 0.05 0.55 0.19 1.13 5.03 0.66 0.33 116.97 124.92 3h1i h TYR 220 Ca 0.01 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 3h1i h TYR 220 Cb 0.40 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 3h1i h TYR 220 CO 0.00 0.28 -0.31 -0.92 -1.32 0.00 0.00 178.16 175.89 3h1i h TYR 221 N 0.58 -0.87 -0.99 -3.82 3.20 -1.16 -1.26 116.97 112.63 3h1i h TYR 221 Ca 0.24 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.36 3h1i h TYR 221 Cb 0.11 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 38.65 3h1i h TYR 221 CO -0.09 -0.38 0.64 0.52 -1.64 0.00 0.00 178.16 177.22 3h1i h MET 222 N -0.53 0.42 -0.47 1.82 2.86 -1.31 0.86 114.93 118.59 3h1i h MET 222 Ca -0.02 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3h1i h MET 222 Cb 0.49 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3h1i h MET 222 CO -0.10 0.28 -0.08 -0.22 1.06 0.00 0.00 176.91 177.85 3h1i h LYS 223 N 0.44 0.84 0.08 1.72 3.11 0.27 -2.73 116.57 120.30 3h1i h LYS 223 Ca 0.55 -0.27 -0.00 0.00 -2.81 0.00 0.00 60.65 58.11 3h1i h LYS 223 Cb 1.33 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 3h1i h LYS 223 CO -0.26 0.89 -0.04 0.00 -2.81 0.00 0.00 179.45 177.23 3h1i h ARG 224 N 0.76 -0.11 -0.91 1.90 2.47 0.74 -2.57 114.38 116.65 3h1i h ARG 224 Ca 0.13 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.97 3h1i h ARG 224 Cb 0.58 0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.79 3h1i h ARG 224 CO 0.04 0.43 -0.44 1.58 0.56 0.00 0.00 179.97 182.14 3h1i n HIS 225 N -4.82 -0.17 -0.00 3.04 -0.00 0.26 0.17 115.22 113.70 3h1i n HIS 225 Ca -0.08 1.13 -0.12 0.00 0.46 0.00 0.00 57.72 59.12 3h1i n HIS 225 Cb 0.29 -0.72 -0.07 0.00 -0.12 0.00 0.00 29.99 29.37 3h1i n HIS 225 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3h1i h LYS 226 N 0.00 0.09 0.00 1.57 1.79 -1.59 -2.84 116.57 115.59 3h1i h LYS 226 Ca 0.24 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 3h1i h LYS 226 Cb 0.47 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3h1i h LYS 226 CO -0.89 0.22 -0.13 -1.49 -1.08 0.00 0.00 179.45 176.08 3h1i h TRP 227 N -0.06 0.00 -0.80 -1.35 4.06 -0.29 -3.11 115.95 114.40 3h1i h TRP 227 Ca 0.02 0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.11 3h1i h TRP 227 Cb 0.16 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.18 3h1i h TRP 227 CO -0.02 0.13 -0.26 -1.13 -3.56 0.00 0.00 178.44 173.59 3h1i n SER 228 N -3.60 -0.42 -0.32 -3.49 3.41 0.45 0.19 113.62 109.84 3h1i n SER 228 Ca -0.02 1.39 0.19 0.00 -0.26 0.00 0.00 58.87 60.17 3h1i n SER 228 Cb 0.26 -0.36 0.38 0.00 -0.26 0.00 0.00 64.21 64.23 3h1i n SER 228 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3h1i h VAL 229 N 0.00 0.19 0.00 -3.33 2.07 -1.72 0.33 116.25 113.79 3h1i h VAL 229 Ca 0.32 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3h1i h VAL 229 Cb 0.52 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3h1i h VAL 229 CO -0.81 0.03 -0.76 -0.07 0.02 0.00 0.00 177.57 175.98 3h1i h LEU 230 N 0.15 0.00 0.00 2.57 3.38 0.18 -3.20 115.31 118.40 3h1i h LEU 230 Ca 0.65 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.56 3h1i h LEU 230 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3h1i h LEU 230 CO -0.72 0.03 -0.00 0.11 0.09 0.00 0.00 178.44 177.95 3h1i h LYS 231 N 0.00 -0.00 0.00 1.13 1.79 0.11 -3.33 116.57 116.27 3h1i h LYS 231 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3h1i h LYS 231 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3h1i h LYS 231 CO 0.00 0.84 0.00 0.66 -1.08 0.00 0.00 179.45 179.87 3h1i h SER 232 N -0.98 0.00 -1.93 0.86 4.64 -1.14 -3.47 113.55 111.54 3h1i h SER 232 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3h1i h SER 232 Cb 0.84 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.05 3h1i h SER 232 CO 0.00 0.00 -0.19 -1.14 -0.87 0.00 0.00 176.83 174.63 3h1i n ARG 233 N -2.88 0.75 -4.22 4.77 0.63 -1.21 -5.03 116.66 109.47 3h1i n ARG 233 Ca 0.01 0.26 -0.17 0.00 -0.92 0.00 0.00 57.85 57.03 3h1i n ARG 233 Cb 0.26 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.54 3h1i n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1i s LYS 234 N -1.36 0.59 0.10 -0.14 1.02 -1.26 -5.08 119.74 113.61 3h1i s LYS 234 Ca 0.61 -0.39 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 3h1i s LYS 234 Cb -0.77 -0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 35.99 3h1i s LYS 234 CO 0.58 0.14 0.11 0.00 -0.92 0.00 0.00 175.35 175.26 3h1i s MET 235 N -0.52 0.84 -0.20 1.68 0.23 -1.26 -5.18 119.30 114.89 3h1i s MET 235 Ca 0.00 -1.18 -0.23 0.00 -1.03 0.00 0.00 55.69 53.25 3h1i s MET 235 Cb -0.04 0.29 0.06 0.00 -1.53 0.00 0.00 34.83 33.60 3h1i s MET 235 CO 0.00 -0.24 0.63 0.00 -2.03 0.00 0.00 175.02 173.38 3h1i s ALA 236 N -3.94 -1.58 -0.42 3.16 0.00 -1.26 -5.14 121.76 112.58 3h1i s ALA 236 Ca 0.12 1.68 -0.21 0.00 0.00 0.00 0.00 51.96 53.55 3h1i s ALA 236 Cb 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3h1i s ALA 236 CO -0.06 -0.31 0.66 -0.47 0.00 0.00 0.00 175.76 175.58 3h1i s TYR 237 N 0.05 3.07 -0.70 0.00 5.04 -1.26 -4.99 117.35 118.56 3h1i s TYR 237 Ca -0.02 0.06 0.05 0.00 -2.44 0.00 0.00 57.07 54.72 3h1i s TYR 237 Cb -0.04 -3.36 0.22 0.00 0.35 0.00 0.00 41.96 39.14 3h1i s TYR 237 CO 0.02 -0.84 0.71 0.54 -1.34 0.00 0.00 175.55 174.64 3h1i n ARG 238 N 6.29 2.41 -0.38 4.97 1.74 -1.26 -5.09 116.66 125.34 3h1i n ARG 238 Ca -0.01 -4.60 -0.28 0.00 -0.77 0.00 0.00 57.85 52.18 3h1i n ARG 238 Cb 0.48 -2.29 0.26 0.00 -1.02 0.00 0.00 32.46 29.89 3h1i n ARG 238 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h1i n PRO 239 N 1.32 -3.54 -3.12 5.56 -0.04 -1.26 -4.97 135.00 128.96 3h1i n PRO 239 Ca 0.26 -1.03 -0.34 0.00 -0.04 0.00 0.00 63.50 62.35 3h1i n PRO 239 Cb 0.38 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 3h1i n PRO 239 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3h1i s PRO 240 N -4.49 4.09 0.00 0.54 0.04 -1.26 -5.33 135.00 128.59 3h1i s PRO 240 Ca 0.63 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3h1i s PRO 240 Cb -0.16 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3h1i s PRO 240 CO 0.58 0.23 0.05 1.17 0.04 0.00 0.00 177.00 179.06