#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl1 s PRO 3 N 0.00 2.77 0.05 0.54 0.04 -1.26 -5.01 135.00 132.13 3hl1 s PRO 3 Ca 0.00 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 3hl1 s PRO 3 Cb 0.00 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3hl1 s PRO 3 CO 0.00 -1.24 0.84 0.08 0.04 0.00 0.00 177.00 176.72 3hl1 s VAL 4 N -2.80 4.69 -0.04 -0.36 1.01 -1.26 -4.92 120.40 116.72 3hl1 s VAL 4 Ca 0.61 1.80 -0.02 0.00 0.00 0.00 0.00 61.98 64.36 3hl1 s VAL 4 Cb -0.16 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3hl1 s VAL 4 CO 0.50 0.32 0.09 0.26 0.00 0.00 0.00 175.10 176.28 3hl1 s TRP 5 N 0.11 3.37 0.22 5.22 0.52 -1.26 -4.64 118.94 122.48 3hl1 s TRP 5 Ca 0.42 0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.86 3hl1 s TRP 5 Cb -0.21 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 3hl1 s TRP 5 CO 0.25 0.59 0.37 0.95 0.02 0.00 0.00 176.95 179.14 3hl1 s THR 6 N -1.13 5.24 0.15 2.01 -4.23 -1.26 -4.95 115.64 111.48 3hl1 s THR 6 Ca 0.20 -0.70 -0.14 0.00 -1.18 0.00 0.00 61.69 59.87 3hl1 s THR 6 Cb -0.12 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.96 3hl1 s THR 6 CO 0.10 -0.26 1.73 0.25 -0.54 0.00 0.00 174.62 175.90 3hl1 h LEU 7 N 1.56 0.65 -1.33 4.79 5.85 -1.99 -1.87 115.31 122.96 3hl1 h LEU 7 Ca -0.50 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.11 3hl1 h LEU 7 Cb 1.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3hl1 h LEU 7 CO 0.65 0.61 0.47 -0.65 -0.34 0.00 0.00 178.44 179.17 3hl1 h PRO 8 N 0.65 0.85 -0.33 5.25 0.11 -1.99 -0.63 132.00 135.92 3hl1 h PRO 8 Ca 0.17 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.09 3hl1 h PRO 8 Cb 0.13 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3hl1 h PRO 8 CO -0.02 0.56 -0.33 0.00 -0.21 0.00 0.00 178.00 178.00 3hl1 h ARG 9 N 0.88 0.73 -0.07 1.05 2.47 -1.86 -0.88 114.38 116.70 3hl1 h ARG 9 Ca 0.28 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3hl1 h ARG 9 Cb 0.03 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3hl1 h ARG 9 CO -0.08 0.96 0.05 1.25 0.56 0.00 0.00 179.97 182.71 3hl1 h LEU 10 N 0.61 0.09 -0.58 3.04 5.85 -0.69 -0.13 115.31 123.51 3hl1 h LEU 10 Ca 0.07 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3hl1 h LEU 10 Cb 0.86 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3hl1 h LEU 10 CO 0.07 0.08 0.23 1.88 -0.34 0.00 0.00 178.44 180.36 3hl1 h TYR 11 N 0.09 0.41 -0.59 1.25 -1.99 -1.01 0.31 116.97 115.44 3hl1 h TYR 11 Ca 0.03 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.80 3hl1 h TYR 11 Cb 0.00 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 3hl1 h TYR 11 CO -0.07 0.13 0.39 1.96 -0.00 0.00 0.00 178.16 180.58 3hl1 h GLN 12 N 0.43 0.73 -0.03 4.88 4.20 -0.85 -1.07 115.11 123.41 3hl1 h GLN 12 Ca 0.28 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.74 3hl1 h GLN 12 Cb 0.31 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3hl1 h GLN 12 CO -0.26 0.48 -0.85 0.45 -0.67 0.00 0.00 178.83 177.98 3hl1 h HIS 13 N 0.75 0.50 -0.18 2.96 3.86 0.33 -1.36 115.15 122.01 3hl1 h HIS 13 Ca 0.23 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hl1 h HIS 13 Cb -0.02 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 3hl1 h HIS 13 CO -0.00 1.04 0.08 0.74 0.86 0.00 0.00 177.93 180.65 3hl1 h PHE 14 N 0.21 0.14 -1.00 2.45 0.04 -0.54 -0.40 116.94 117.84 3hl1 h PHE 14 Ca -0.05 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.80 3hl1 h PHE 14 Cb 1.46 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.50 3hl1 h PHE 14 CO 0.05 0.08 0.64 0.37 -0.60 0.00 0.00 178.31 178.84 3hl1 h GLN 15 N 0.17 1.09 -0.38 1.51 5.75 -1.12 -1.46 115.11 120.67 3hl1 h GLN 15 Ca 0.07 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.35 3hl1 h GLN 15 Cb 0.03 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 3hl1 h GLN 15 CO -0.06 0.72 -0.38 0.78 -2.65 0.00 0.00 178.83 177.24 3hl1 h GLY 16 N 1.12 0.99 0.99 2.39 0.00 -0.92 -1.07 103.07 106.57 3hl1 h GLY 16 Ca 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3hl1 h GLY 16 CO -0.19 0.91 0.05 0.00 0.00 0.00 0.00 176.54 177.31 3hl1 h ALA 17 N 0.81 0.10 -0.22 3.60 0.00 -0.66 -1.50 119.26 121.40 3hl1 h ALA 17 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3hl1 h ALA 17 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hl1 h ALA 17 CO 0.09 -0.40 -0.32 0.97 0.00 0.00 0.00 179.25 179.59 3hl1 h ILE 18 N 0.10 1.28 -0.86 0.00 2.10 -1.22 -1.66 117.51 117.26 3hl1 h ILE 18 Ca 0.03 -1.39 -0.01 0.00 1.08 0.00 0.00 64.86 64.56 3hl1 h ILE 18 Cb -0.00 1.46 -0.04 0.00 -1.09 0.00 0.00 36.82 37.15 3hl1 h ILE 18 CO -0.01 0.44 0.48 0.44 -1.08 0.00 0.00 178.15 178.42 3hl1 h ASP 19 N 0.39 1.06 -0.22 2.19 3.32 -1.02 0.33 116.42 122.48 3hl1 h ASP 19 Ca 0.05 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3hl1 h ASP 19 Cb 0.76 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hl1 h ASP 19 CO 0.06 0.85 -0.26 0.25 -1.72 0.00 0.00 179.24 178.42 3hl1 h LEU 20 N 1.19 0.60 -0.44 1.55 5.85 -1.00 0.06 115.31 123.12 3hl1 h LEU 20 Ca 0.30 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hl1 h LEU 20 Cb 0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3hl1 h LEU 20 CO -0.05 0.98 0.29 -0.33 -0.34 0.00 0.00 178.44 178.98 3hl1 h GLU 21 N 0.24 0.59 -0.58 1.25 4.39 -1.10 -2.51 114.58 116.86 3hl1 h GLU 21 Ca 0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3hl1 h GLU 21 Cb 0.82 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3hl1 h GLU 21 CO 0.06 0.40 0.32 1.25 -1.16 0.00 0.00 179.01 179.88 3hl1 h LEU 22 N 0.60 0.72 -0.79 1.33 5.85 -0.88 -2.69 115.31 119.45 3hl1 h LEU 22 Ca 0.16 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.93 3hl1 h LEU 22 Cb -0.06 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 40.70 3hl1 h LEU 22 CO -0.03 0.60 0.36 -0.25 -0.34 0.00 0.00 178.44 178.77 3hl1 h TRP 23 N 0.78 0.62 0.00 1.25 7.01 -0.69 -2.06 115.95 122.86 3hl1 h TRP 23 Ca 0.20 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.20 3hl1 h TRP 23 Cb 0.04 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3hl1 h TRP 23 CO -0.01 0.11 -0.18 1.79 -2.79 0.00 0.00 178.44 177.36 3hl1 h THR 24 N 0.52 0.60 0.60 2.65 1.35 -1.11 -3.24 112.91 114.28 3hl1 h THR 24 Ca 0.43 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 3hl1 h THR 24 Cb 0.63 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 3hl1 h THR 24 CO -0.38 0.18 -0.29 0.40 -0.25 0.00 0.00 175.52 175.17 3hl1 h ILE 25 N 0.00 0.12 -0.50 6.82 2.04 -1.28 -0.67 117.51 124.04 3hl1 h ILE 25 Ca -0.00 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.54 3hl1 h ILE 25 Cb 0.52 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3hl1 h ILE 25 CO 0.02 0.02 0.34 -0.65 0.00 0.00 0.00 178.15 177.88 3hl1 h PRO 26 N -1.16 0.36 0.11 2.37 0.11 -1.67 0.37 132.00 132.49 3hl1 h PRO 26 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3hl1 h PRO 26 Cb 0.65 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3hl1 h PRO 26 CO 0.14 0.24 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.19 3hl1 h TYR 27 N 0.37 -0.13 -0.34 0.65 5.03 -1.56 -1.01 116.97 119.97 3hl1 h TYR 27 Ca 0.22 -0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.39 3hl1 h TYR 27 Cb 0.41 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 3hl1 h TYR 27 CO -0.00 0.00 -0.35 1.88 -1.32 0.00 0.00 178.16 178.37 3hl1 h TYR 28 N -0.24 0.92 -0.61 -3.82 -1.99 -0.81 -2.89 116.97 107.52 3hl1 h TYR 28 Ca -0.01 -0.26 -0.10 0.00 2.00 0.00 0.00 58.73 60.36 3hl1 h TYR 28 Cb 0.20 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 3hl1 h TYR 28 CO -0.04 1.02 0.01 -0.07 -0.00 0.00 0.00 178.16 179.07 3hl1 h LEU 29 N 0.65 1.05 -0.42 3.88 3.38 -0.86 -0.36 115.31 122.63 3hl1 h LEU 29 Ca 0.06 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hl1 h LEU 29 Cb 0.90 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3hl1 h LEU 29 CO 0.08 1.10 0.23 0.74 0.09 0.00 0.00 178.44 180.67 3hl1 h THR 30 N 0.98 1.16 0.17 0.22 2.02 -1.17 -1.10 112.91 115.19 3hl1 h THR 30 Ca 0.17 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3hl1 h THR 30 Cb 0.55 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3hl1 h THR 30 CO 0.03 0.17 -0.12 0.58 0.37 0.00 0.00 175.52 176.55 3hl1 h VAL 31 N 0.55 0.74 -0.18 3.16 2.07 -1.37 -2.77 116.25 118.45 3hl1 h VAL 31 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3hl1 h VAL 31 Cb 0.07 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3hl1 h VAL 31 CO -0.02 0.00 -0.46 0.25 0.02 0.00 0.00 177.57 177.36 3hl1 h LEU 32 N -0.29 -1.46 -0.34 2.57 5.85 -0.72 -2.35 115.31 118.56 3hl1 h LEU 32 Ca -0.01 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hl1 h LEU 32 Cb 0.25 0.59 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3hl1 h LEU 32 CO 0.00 -0.44 0.00 -1.22 -0.34 0.00 0.00 178.44 176.45 3hl1 n TYR 33 N -5.43 0.73 0.24 1.25 4.01 -0.45 -1.84 117.16 115.67 3hl1 n TYR 33 Ca -0.04 0.25 0.09 0.00 -0.16 0.00 0.00 57.90 58.04 3hl1 n TYR 33 Cb 0.37 -0.91 0.62 0.00 -0.31 0.00 0.00 39.34 39.10 3hl1 n TYR 33 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3hl1 h SER 34 N 0.00 0.00 -3.22 7.72 4.64 -1.12 -3.43 113.55 118.14 3hl1 h SER 34 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3hl1 h SER 34 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3hl1 h SER 34 CO 0.00 0.16 0.90 -0.63 -0.87 0.00 0.00 176.83 176.39 3hl1 s ILE 35 N -4.41 4.34 0.14 0.95 1.01 -0.76 -0.27 121.20 122.20 3hl1 s ILE 35 Ca -0.03 1.54 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 3hl1 s ILE 35 Cb 0.14 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3hl1 s ILE 35 CO 0.64 -0.46 1.77 0.11 0.00 0.00 0.00 174.94 176.99 3hl1 h LYS 36 N 8.59 0.54 -5.06 2.79 1.57 -1.60 -3.39 116.57 120.01 3hl1 h LYS 36 Ca -0.23 -0.05 -0.68 0.00 -1.87 0.00 0.00 60.65 57.82 3hl1 h LYS 36 Cb 1.08 -0.11 -0.17 0.00 0.08 0.00 0.00 32.23 33.10 3hl1 h LYS 36 CO 1.03 0.41 -0.01 0.34 -0.57 0.00 0.00 179.45 180.65 3hl1 s ASP 37 N -5.64 6.24 0.20 0.86 -1.08 -1.26 -4.95 116.67 111.04 3hl1 s ASP 37 Ca -0.13 -0.67 0.22 0.00 -0.52 0.00 0.00 52.55 51.45 3hl1 s ASP 37 Cb 0.10 -2.28 0.90 0.00 -1.46 0.00 0.00 42.92 40.19 3hl1 s ASP 37 CO 0.73 -0.76 1.67 -2.65 0.52 0.00 0.00 175.17 174.68 3hl1 n PRO 38 N 6.01 0.15 0.00 4.34 -0.02 -1.26 -2.60 135.00 141.63 3hl1 n PRO 38 Ca -0.05 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 3hl1 n PRO 38 Cb 0.47 -1.78 0.63 0.00 -0.02 0.00 0.00 33.50 32.79 3hl1 n PRO 38 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hl1 n THR 39 N -2.07 0.00 -1.37 3.45 -2.24 -1.26 -4.40 114.28 106.39 3hl1 n THR 39 Ca 0.03 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 3hl1 n THR 39 Cb 0.23 -0.37 0.09 0.00 -2.10 0.00 0.00 70.33 68.17 3hl1 n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hl1 s THR 40 N -2.80 3.09 0.14 4.28 -4.23 -1.07 -4.85 115.64 110.21 3hl1 s THR 40 Ca 0.20 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.97 3hl1 s THR 40 Cb 0.19 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 71.18 3hl1 s THR 40 CO 0.52 -0.41 1.70 0.58 -0.54 0.00 0.00 174.62 176.47 3hl1 h VAL 41 N -0.79 1.19 -0.42 2.29 2.07 -1.91 -2.28 116.25 116.41 3hl1 h VAL 41 Ca -0.45 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3hl1 h VAL 41 Cb 1.24 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3hl1 h VAL 41 CO 0.51 0.22 0.08 -0.65 0.02 0.00 0.00 177.57 177.74 3hl1 h PRO 42 N 0.56 0.63 0.11 1.57 0.11 -1.96 -0.74 132.00 132.28 3hl1 h PRO 42 Ca 0.15 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3hl1 h PRO 42 Cb 0.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3hl1 h PRO 42 CO -0.01 0.60 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.40 3hl1 h TYR 43 N 0.62 -0.13 -0.25 0.65 5.03 -1.82 -0.48 116.97 120.59 3hl1 h TYR 43 Ca 0.14 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.35 3hl1 h TYR 43 Cb 0.27 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 3hl1 h TYR 43 CO 0.01 -0.05 -0.26 0.00 -1.32 0.00 0.00 178.16 176.54 3hl1 h ARG 44 N -0.18 0.48 -0.20 1.82 3.08 -1.15 -0.66 114.38 117.57 3hl1 h ARG 44 Ca -0.01 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3hl1 h ARG 44 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hl1 h ARG 44 CO 0.02 0.71 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.53 3hl1 h LEU 45 N 0.42 0.39 -0.49 3.04 3.38 -1.03 -2.78 115.31 118.24 3hl1 h LEU 45 Ca 0.06 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 3hl1 h LEU 45 Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hl1 h LEU 45 CO 0.05 0.65 -0.24 0.40 0.09 0.00 0.00 178.44 179.39 3hl1 h ILE 46 N 0.12 1.27 -0.31 1.22 2.04 -0.89 -2.61 117.51 118.34 3hl1 h ILE 46 Ca 0.05 -1.41 0.06 0.00 1.00 0.00 0.00 64.86 64.56 3hl1 h ILE 46 Cb 0.47 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3hl1 h ILE 46 CO 0.02 0.48 -0.01 -0.61 0.00 0.00 0.00 178.15 178.03 3hl1 h GLN 47 N 0.84 0.08 -0.85 2.37 4.15 -1.16 0.67 115.11 121.21 3hl1 h GLN 47 Ca 0.10 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 3hl1 h GLN 47 Cb 0.82 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 3hl1 h GLN 47 CO 0.07 0.05 0.44 0.00 -1.93 0.00 0.00 178.83 177.46 3hl1 h ALA 48 N 1.28 1.17 -0.54 3.38 0.00 -1.41 -2.62 119.26 120.51 3hl1 h ALA 48 Ca 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hl1 h ALA 48 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hl1 h ALA 48 CO -0.26 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 3hl1 h ALA 49 N 1.28 0.97 -0.61 0.00 0.00 -0.98 -2.25 119.26 117.66 3hl1 h ALA 49 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hl1 h ALA 49 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hl1 h ALA 49 CO -0.04 0.63 0.33 0.28 0.00 0.00 0.00 179.25 180.44 3hl1 h VAL 50 N 0.86 1.20 -0.62 0.00 2.07 -0.61 -1.04 116.25 118.12 3hl1 h VAL 50 Ca 0.16 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3hl1 h VAL 50 Cb 0.51 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3hl1 h VAL 50 CO 0.03 0.22 0.27 1.88 0.02 0.00 0.00 177.57 179.99 3hl1 h TYR 51 N 0.83 0.88 -0.07 1.57 0.05 -1.30 -2.12 116.97 116.80 3hl1 h TYR 51 Ca 0.21 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.85 3hl1 h TYR 51 Cb 0.05 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3hl1 h TYR 51 CO -0.01 0.66 -0.43 1.96 -1.05 0.00 0.00 178.16 179.29 3hl1 h GLN 52 N 0.87 0.16 -1.27 4.88 4.20 -0.92 -2.14 115.11 120.89 3hl1 h GLN 52 Ca 0.21 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hl1 h GLN 52 Cb 0.12 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3hl1 h GLN 52 CO -0.02 0.57 0.00 0.39 -0.67 0.00 0.00 178.83 179.10 3hl1 n GLU 53 N -4.01 0.27 0.00 1.46 -0.58 -0.44 -1.07 120.64 116.27 3hl1 n GLU 53 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3hl1 n GLU 53 Cb 0.48 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 3hl1 n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hl1 n LEU 55 N 0.71 0.00 -0.19 -4.62 7.94 -0.81 -1.25 117.00 118.78 3hl1 n LEU 55 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3hl1 n LEU 55 Cb 0.12 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.15 3hl1 n LEU 55 CO 0.00 0.00 1.01 0.45 -1.11 0.00 0.00 177.39 177.74 3hl1 h HIS 56 N 0.00 0.44 -0.52 1.96 3.86 -1.38 0.66 115.15 120.17 3hl1 h HIS 56 Ca 0.00 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3hl1 h HIS 56 Cb 0.00 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3hl1 h HIS 56 CO 0.00 0.17 0.30 0.00 0.86 0.00 0.00 177.93 179.26 3hl1 h ALA 57 N 1.35 0.67 -0.58 2.45 0.00 -1.46 -0.27 119.26 121.43 3hl1 h ALA 57 Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3hl1 h ALA 57 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hl1 h ALA 57 CO -0.23 -0.02 0.35 0.37 0.00 0.00 0.00 179.25 179.72 3hl1 h GLN 58 N 0.58 0.68 -0.49 0.00 4.15 -1.64 -0.96 115.11 117.42 3hl1 h GLN 58 Ca 0.22 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 3hl1 h GLN 58 Cb 0.07 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3hl1 h GLN 58 CO -0.12 0.45 0.18 -0.07 -1.93 0.00 0.00 178.83 177.33 3hl1 h LEU 59 N 0.70 0.70 -0.60 -2.39 3.38 -0.45 -0.32 115.31 116.32 3hl1 h LEU 59 Ca 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hl1 h LEU 59 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3hl1 h LEU 59 CO -0.10 0.70 0.29 0.58 0.09 0.00 0.00 178.44 179.99 3hl1 h VAL 60 N 0.66 1.21 -0.58 1.22 2.07 -0.86 0.11 116.25 120.09 3hl1 h VAL 60 Ca 0.16 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3hl1 h VAL 60 Cb 0.23 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3hl1 h VAL 60 CO -0.01 0.25 0.35 -1.28 0.02 0.00 0.00 177.57 176.90 3hl1 h SER 61 N 0.82 0.58 -0.43 0.57 0.87 -0.90 -0.72 113.55 114.34 3hl1 h SER 61 Ca 0.21 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3hl1 h SER 61 Cb 0.13 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3hl1 h SER 61 CO -0.03 0.41 0.15 0.78 -0.53 0.00 0.00 176.83 177.61 3hl1 h ASN 62 N 0.70 0.62 0.43 6.23 2.35 -0.68 0.10 115.58 125.34 3hl1 h ASN 62 Ca 0.23 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3hl1 h ASN 62 Cb 0.01 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3hl1 h ASN 62 CO -0.10 0.64 -0.21 0.40 -1.65 0.00 0.00 177.43 176.52 3hl1 h ILE 63 N 0.56 0.57 -0.41 2.81 2.04 -0.85 -1.39 117.51 120.84 3hl1 h ILE 63 Ca 0.14 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.08 3hl1 h ILE 63 Cb 0.23 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 3hl1 h ILE 63 CO -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 3hl1 h ALA 64 N -0.01 0.37 -0.70 1.87 0.00 -1.08 -2.67 119.26 117.04 3hl1 h ALA 64 Ca -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hl1 h ALA 64 Cb 0.45 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3hl1 h ALA 64 CO 0.09 -0.40 0.34 -0.91 0.00 0.00 0.00 179.25 178.38 3hl1 h ASN 65 N 0.10 0.88 -0.61 0.00 2.35 -0.10 -0.13 115.58 118.08 3hl1 h ASN 65 Ca 0.20 -0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3hl1 h ASN 65 Cb 0.29 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3hl1 h ASN 65 CO -0.34 0.74 0.41 0.00 -1.65 0.00 0.00 177.43 176.59 3hl1 h ALA 66 N 1.40 1.76 -0.01 -0.83 0.00 -0.93 -1.08 119.26 119.57 3hl1 h ALA 66 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hl1 h ALA 66 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hl1 h ALA 66 CO -0.03 0.15 -0.03 0.66 0.00 0.00 0.00 179.25 180.00 3hl1 n TYR 67 N -4.47 0.00 0.00 0.00 4.02 -0.73 -0.88 117.16 115.10 3hl1 n TYR 67 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3hl1 n TYR 67 Cb 0.20 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 3hl1 n TYR 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hl1 n GLY 68 N 1.13 0.70 3.24 2.72 0.00 -0.41 -4.84 105.19 107.74 3hl1 n GLY 68 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3hl1 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hl1 s TYR 69 N -2.00 2.92 -0.34 1.61 5.04 -0.14 -4.94 117.35 119.50 3hl1 s TYR 69 Ca 0.00 -1.20 -0.20 0.00 -2.44 0.00 0.00 57.07 53.23 3hl1 s TYR 69 Cb 0.00 -2.05 -0.00 0.00 0.35 0.00 0.00 41.96 40.26 3hl1 s TYR 69 CO 0.00 -0.64 0.64 -1.12 -1.34 0.00 0.00 175.55 173.09 3hl1 s SER 70 N 1.41 6.45 0.75 4.32 0.01 -1.26 -1.93 113.70 123.45 3hl1 s SER 70 Ca 0.05 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.43 3hl1 s SER 70 Cb -0.14 -2.33 0.04 0.00 0.21 0.00 0.00 66.02 63.80 3hl1 s SER 70 CO -0.06 -0.56 1.08 -2.84 0.41 0.00 0.00 173.24 171.26 3hl1 s PRO 71 N 2.69 2.45 0.02 12.44 0.02 -1.26 -4.97 135.00 146.39 3hl1 s PRO 71 Ca 0.25 1.05 0.08 0.00 0.02 0.00 0.00 61.00 62.40 3hl1 s PRO 71 Cb -0.15 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 3hl1 s PRO 71 CO 0.14 -1.47 -0.24 0.95 -0.33 0.00 0.00 177.00 176.05 3hl1 s THR 72 N -2.97 1.93 -0.10 0.99 -4.23 -1.26 -4.74 115.64 105.25 3hl1 s THR 72 Ca 0.60 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 3hl1 s THR 72 Cb -0.16 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 3hl1 s THR 72 CO 0.56 0.39 -0.02 -0.76 -0.54 0.00 0.00 174.62 174.25 3hl1 s LEU 73 N -0.96 3.45 0.26 4.79 1.43 -1.26 -4.96 118.68 121.42 3hl1 s LEU 73 Ca 0.10 0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 3hl1 s LEU 73 Cb -0.09 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3hl1 s LEU 73 CO 0.01 0.32 -0.16 -0.44 0.23 0.00 0.00 176.35 176.31 3hl1 s SER 74 N -0.53 3.13 0.11 2.29 0.01 -1.26 -4.91 113.70 112.54 3hl1 s SER 74 Ca 0.09 -1.05 -0.31 0.00 1.31 0.00 0.00 55.95 55.98 3hl1 s SER 74 Cb -0.12 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 65.78 3hl1 s SER 74 CO 0.02 -0.10 1.87 0.00 0.41 0.00 0.00 173.24 175.44 3hl1 n ALA 75 N -0.54 2.11 -1.49 1.44 0.00 -1.26 -4.98 120.51 115.80 3hl1 n ALA 75 Ca -0.06 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 3hl1 n ALA 75 Cb 0.61 -2.61 0.10 0.00 0.00 0.00 0.00 19.45 17.55 3hl1 n ALA 75 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hl1 s PRO 76 N 3.03 1.85 0.13 0.00 0.02 -1.26 -5.04 135.00 133.73 3hl1 s PRO 76 Ca 0.83 0.64 0.09 0.00 0.02 0.00 0.00 61.00 62.58 3hl1 s PRO 76 Cb -0.47 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 3hl1 s PRO 76 CO 0.38 -1.79 -0.15 -1.21 -0.33 0.00 0.00 177.00 173.90 3hl1 s GLU 77 N -5.12 1.87 -0.46 5.54 2.02 -1.26 -4.78 118.70 116.50 3hl1 s GLU 77 Ca 0.61 -1.19 0.03 0.00 0.02 0.00 0.00 54.97 54.44 3hl1 s GLU 77 Cb -0.15 -2.14 0.15 0.00 0.10 0.00 0.00 34.13 32.09 3hl1 s GLU 77 CO 0.55 0.47 0.31 0.71 0.02 0.00 0.00 175.26 177.32 3hl1 s TYR 78 N -1.29 1.79 -0.01 1.61 2.02 -1.26 -5.03 117.35 115.18 3hl1 s TYR 78 Ca 0.20 -2.43 0.00 0.00 -0.37 0.00 0.00 57.07 54.47 3hl1 s TYR 78 Cb -0.10 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3hl1 s TYR 78 CO 0.12 -0.76 -0.01 0.08 -1.57 0.00 0.00 175.55 173.41 3hl1 s VAL 79 N 0.06 0.10 0.00 0.71 1.01 -1.25 -4.25 120.40 116.78 3hl1 s VAL 79 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3hl1 s VAL 79 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.13 3hl1 s VAL 79 CO -0.09 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3hl1 n GLY 80 N 3.38 3.77 0.32 4.51 0.00 -1.26 -2.35 105.19 113.56 3hl1 n GLY 80 Ca -0.17 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.04 3hl1 n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hl1 n THR 81 N 0.00 1.19 -2.57 2.61 -2.24 -1.26 -0.47 114.28 111.54 3hl1 n THR 81 Ca 0.00 -1.51 -0.43 0.00 -2.27 0.00 0.00 64.05 59.84 3hl1 n THR 81 Cb 0.00 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 3hl1 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hl1 s ALA 82 N -1.80 3.41 -0.15 6.98 0.00 -0.99 -4.69 121.76 124.52 3hl1 s ALA 82 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 3hl1 s ALA 82 Cb 0.20 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3hl1 s ALA 82 CO 0.00 -1.68 -0.05 0.08 0.00 0.00 0.00 175.76 174.11 3hl1 s VAL 83 N 3.99 3.74 -0.12 0.00 1.01 -1.26 -4.69 120.40 123.07 3hl1 s VAL 83 Ca 0.49 -0.41 -0.33 0.00 0.00 0.00 0.00 61.98 61.73 3hl1 s VAL 83 Cb -0.13 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 3hl1 s VAL 83 CO 0.20 0.50 1.97 -2.65 0.00 0.00 0.00 175.10 175.13 3hl1 n PRO 84 N 3.46 2.12 -1.21 2.72 -0.02 -1.26 -2.67 135.00 138.13 3hl1 n PRO 84 Ca -0.18 0.74 -0.07 0.00 -2.02 0.00 0.00 63.50 61.97 3hl1 n PRO 84 Cb 0.53 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3hl1 n PRO 84 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hl1 n HIS 85 N 7.75 0.00 -4.45 6.00 8.25 -1.26 -4.75 115.22 126.76 3hl1 n HIS 85 Ca 0.25 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.42 3hl1 n HIS 85 Cb 0.32 -1.65 -0.17 0.00 1.12 0.00 0.00 29.99 29.61 3hl1 n HIS 85 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hl1 s ILE 86 N -2.14 1.61 -0.24 1.59 -1.09 -1.09 -1.45 121.20 118.39 3hl1 s ILE 86 Ca 0.00 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 3hl1 s ILE 86 Cb 0.00 -1.47 0.06 0.00 -1.58 0.00 0.00 42.46 39.47 3hl1 s ILE 86 CO 0.00 0.46 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.48 3hl1 s ASP 87 N 1.01 4.02 0.28 3.58 -1.08 0.23 -4.60 116.67 120.12 3hl1 s ASP 87 Ca -0.05 -1.24 0.26 0.00 -0.52 0.00 0.00 52.55 50.99 3hl1 s ASP 87 Cb -0.15 -1.28 0.90 0.00 -1.46 0.00 0.00 42.92 40.92 3hl1 s ASP 87 CO -0.03 -0.22 1.76 -0.26 0.52 0.00 0.00 175.17 176.94 3hl1 h PHE 88 N 7.90 0.00 0.00 -5.34 0.04 -1.86 -2.76 116.94 114.92 3hl1 h PHE 88 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 3hl1 h PHE 88 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 3hl1 h PHE 88 CO 0.54 0.00 0.00 -0.44 -0.60 0.00 0.00 178.31 177.81 3hl1 h ASP 89 N 0.00 0.00 1.53 2.17 3.32 -1.95 -1.84 116.42 119.64 3hl1 h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hl1 h ASP 89 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3hl1 h ASP 89 CO 0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 3hl1 h LEU 90 N 0.00 0.00 -9.89 1.55 3.38 -1.86 -3.46 115.31 105.02 3hl1 h LEU 90 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3hl1 h LEU 90 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3hl1 h LEU 90 CO 0.00 0.00 -0.21 -1.81 0.09 0.00 0.00 178.44 176.51 3hl1 s ASP 91 N -5.78 6.62 -0.17 -0.43 1.01 -0.69 -4.90 116.67 112.32 3hl1 s ASP 91 Ca 0.05 0.81 -0.00 0.00 0.71 0.00 0.00 52.55 54.12 3hl1 s ASP 91 Cb 0.07 -2.18 0.04 0.00 1.01 0.00 0.00 42.92 41.86 3hl1 s ASP 91 CO 0.60 0.07 -0.07 0.42 0.21 0.00 0.00 175.17 176.40 3hl1 s THR 92 N -1.58 1.25 0.78 -1.27 -4.23 -0.21 -2.39 115.64 107.99 3hl1 s THR 92 Ca 0.39 -0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 3hl1 s THR 92 Cb -0.13 -1.38 0.06 0.00 1.34 0.00 0.00 72.50 72.39 3hl1 s THR 92 CO 0.21 0.18 1.08 -2.16 -0.54 0.00 0.00 174.62 173.39 3hl1 s PRO 93 N 1.58 2.20 -0.10 3.99 0.04 -1.26 -4.12 135.00 137.33 3hl1 s PRO 93 Ca 0.01 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 3hl1 s PRO 93 Cb -0.15 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3hl1 s PRO 93 CO -0.08 -1.63 1.81 1.21 0.04 0.00 0.00 177.00 178.35 3hl1 s ASN 94 N -3.55 6.36 0.49 6.66 3.84 -1.01 -4.88 114.94 122.85 3hl1 s ASN 94 Ca 0.61 2.13 0.32 0.00 0.21 0.00 0.00 52.86 56.13 3hl1 s ASN 94 Cb -0.16 -2.53 1.41 0.00 -0.55 0.00 0.00 41.25 39.42 3hl1 s ASN 94 CO 0.56 -1.20 1.96 1.55 -2.79 0.00 0.00 177.10 177.18 3hl1 h PRO 95 N 10.93 0.00 0.00 0.43 0.13 -1.85 -0.87 132.00 140.77 3hl1 h PRO 95 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hl1 h PRO 95 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hl1 h PRO 95 CO 0.96 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.98 3hl1 n THR 96 N -2.86 1.14 -0.02 1.56 -2.24 -1.26 -0.61 114.28 109.99 3hl1 n THR 96 Ca 0.00 0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 62.01 3hl1 n THR 96 Cb 0.24 -1.15 0.07 0.00 -2.10 0.00 0.00 70.33 67.39 3hl1 n THR 96 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hl1 h SER 97 N 0.00 0.66 0.00 3.42 0.02 -1.54 -3.33 113.55 112.78 3hl1 h SER 97 Ca 0.00 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 3hl1 h SER 97 Cb 0.22 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hl1 h SER 97 CO 0.00 1.02 -0.26 0.40 -1.14 0.00 0.00 176.83 176.85 3hl1 h ILE 98 N 0.49 0.58 -1.53 3.27 2.04 -1.00 -3.41 117.51 117.95 3hl1 h ILE 98 Ca 0.03 -1.49 -0.76 0.00 1.00 0.00 0.00 64.86 63.63 3hl1 h ILE 98 Cb 1.00 1.15 -0.16 0.00 -0.74 0.00 0.00 36.82 38.06 3hl1 h ILE 98 CO 0.09 0.20 1.96 0.49 0.00 0.00 0.00 178.15 180.89 3hl1 n PHE 99 N -4.66 2.73 -4.92 1.37 3.72 0.21 -4.91 117.46 110.99 3hl1 n PHE 99 Ca -0.08 -2.76 -0.26 0.00 -0.05 0.00 0.00 57.45 54.30 3hl1 n PHE 99 Cb 0.26 -1.80 -0.16 0.00 -0.94 0.00 0.00 39.48 36.85 3hl1 n PHE 99 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3hl1 s THR 100 N -0.67 1.53 0.61 4.37 -1.32 -1.25 -4.18 115.64 114.72 3hl1 s THR 100 Ca 0.43 -0.80 -0.11 0.00 -1.21 0.00 0.00 61.69 59.99 3hl1 s THR 100 Cb 0.12 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.78 3hl1 s THR 100 CO -0.02 0.43 1.02 -2.16 -2.21 0.00 0.00 174.62 171.69 3hl1 s PRO 101 N -0.26 3.63 0.16 7.08 0.04 -1.26 -5.03 135.00 139.37 3hl1 s PRO 101 Ca 0.03 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 3hl1 s PRO 101 Cb -0.09 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3hl1 s PRO 101 CO 0.01 -0.54 0.34 1.52 0.04 0.00 0.00 177.00 178.37 3hl1 s TYR 102 N -3.13 0.21 -0.22 0.56 1.13 -1.26 -3.96 117.35 110.68 3hl1 s TYR 102 Ca 0.55 -0.57 -0.27 0.00 -1.41 0.00 0.00 57.07 55.38 3hl1 s TYR 102 Cb -0.11 0.08 0.10 0.00 -1.10 0.00 0.00 41.96 40.93 3hl1 s TYR 102 CO 0.52 -0.75 0.89 0.45 -2.51 0.00 0.00 175.55 174.15 3hl1 s SER 103 N -2.92 -0.55 0.00 -0.18 0.15 -1.26 -4.96 113.70 103.98 3hl1 s SER 103 Ca 0.13 0.92 0.29 0.00 0.70 0.00 0.00 55.95 58.00 3hl1 s SER 103 Cb 0.02 0.89 1.52 0.00 -1.71 0.00 0.00 66.02 66.75 3hl1 s SER 103 CO -0.03 -0.28 2.03 0.00 1.20 0.00 0.00 173.24 176.17 3hl1 n ALA 104 N 1.90 2.47 -1.78 5.45 0.00 0.38 -4.82 120.51 124.10 3hl1 n ALA 104 Ca -0.13 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 3hl1 n ALA 104 Cb 0.56 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 3hl1 n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hl1 s GLU 105 N -2.49 4.02 0.37 0.00 2.02 -1.24 -3.81 118.70 117.58 3hl1 s GLU 105 Ca 0.30 1.50 -0.25 0.00 0.02 0.00 0.00 54.97 56.54 3hl1 s GLU 105 Cb 0.20 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.93 3hl1 s GLU 105 CO 0.43 -0.26 1.03 -0.51 0.02 0.00 0.00 175.26 175.97 3hl1 s LEU 106 N -2.91 4.22 0.00 1.80 1.43 -1.26 -4.98 118.68 116.98 3hl1 s LEU 106 Ca 0.61 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 3hl1 s LEU 106 Cb -0.21 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.91 3hl1 s LEU 106 CO 0.26 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3hl1 n GLY 107 N 0.46 1.33 1.29 -3.19 0.00 -1.26 -5.03 105.19 98.79 3hl1 n GLY 107 Ca 0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 3hl1 n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hl1 n PRO 108 N 0.00 -0.05 -2.19 1.61 -0.04 -1.26 -3.52 135.00 129.55 3hl1 n PRO 108 Ca 0.00 -0.79 -0.32 0.00 -0.04 0.00 0.00 63.50 62.35 3hl1 n PRO 108 Cb 0.00 -0.34 -0.04 0.00 -0.04 0.00 0.00 33.50 33.07 3hl1 n PRO 108 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hl1 s LEU 109 N 0.00 3.26 0.27 1.53 2.96 -1.26 -4.57 118.68 120.87 3hl1 s LEU 109 Ca 0.24 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3hl1 s LEU 109 Cb -0.01 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 3hl1 s LEU 109 CO 0.16 -2.37 0.10 1.51 -1.32 0.00 0.00 176.35 174.43 3hl1 s ASP 110 N 7.13 1.27 0.25 3.68 1.47 -1.26 -4.93 116.67 124.28 3hl1 s ASP 110 Ca 0.63 -1.41 -0.04 0.00 1.18 0.00 0.00 52.55 52.91 3hl1 s ASP 110 Cb -0.06 0.19 0.41 0.00 -0.34 0.00 0.00 42.92 43.11 3hl1 s ASP 110 CO 0.00 -0.75 1.81 0.25 0.68 0.00 0.00 175.17 177.16 3hl1 h LEU 111 N 2.35 0.67 -0.63 2.11 5.85 -1.94 -0.08 115.31 123.64 3hl1 h LEU 111 Ca -0.38 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.42 3hl1 h LEU 111 Cb 1.25 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3hl1 h LEU 111 CO 0.60 0.37 0.39 0.74 -0.34 0.00 0.00 178.44 180.20 3hl1 h THR 112 N 0.78 1.08 -0.11 1.05 2.02 -1.95 0.59 112.91 116.37 3hl1 h THR 112 Ca 0.40 -0.26 -0.18 0.00 0.77 0.00 0.00 66.41 67.14 3hl1 h THR 112 Cb 0.38 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hl1 h THR 112 CO -0.25 0.14 -0.63 0.03 0.37 0.00 0.00 175.52 175.18 3hl1 h ARG 113 N 0.76 0.63 -0.66 6.66 -0.00 -1.58 -2.57 114.38 117.62 3hl1 h ARG 113 Ca 0.25 -0.52 -0.04 0.00 -0.50 0.00 0.00 59.98 59.17 3hl1 h ARG 113 Cb 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.07 3hl1 h ARG 113 CO -0.10 1.14 0.25 0.28 0.00 0.00 0.00 179.97 181.54 3hl1 h VAL 114 N 0.27 1.24 0.00 2.04 2.07 -0.93 -2.83 116.25 118.11 3hl1 h VAL 114 Ca -0.05 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3hl1 h VAL 114 Cb 1.27 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3hl1 h VAL 114 CO 0.13 0.30 -0.18 0.78 0.02 0.00 0.00 177.57 178.63 3hl1 h ASN 115 N 0.94 -0.52 0.00 0.57 2.35 -0.94 -0.86 115.58 117.11 3hl1 h ASN 115 Ca 0.22 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3hl1 h ASN 115 Cb 0.23 0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3hl1 h ASN 115 CO -0.02 -0.24 0.00 0.41 -1.65 0.00 0.00 177.43 175.93 3hl1 n THR 116 N -5.31 0.00 0.00 2.81 -1.04 -0.97 -0.67 114.28 109.10 3hl1 n THR 116 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3hl1 n THR 116 Cb 0.23 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 3hl1 n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hl1 h LEU 119 N 0.00 0.72 -0.77 0.00 3.38 -1.16 -1.51 115.31 115.96 3hl1 h LEU 119 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hl1 h LEU 119 Cb 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3hl1 h LEU 119 CO 0.00 0.69 0.43 0.40 0.09 0.00 0.00 178.44 180.06 3hl1 h ILE 120 N 0.70 1.23 -0.45 1.22 2.04 -1.26 -2.08 117.51 118.91 3hl1 h ILE 120 Ca 0.17 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hl1 h ILE 120 Cb 0.20 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hl1 h ILE 120 CO -0.01 0.25 0.00 -0.62 0.00 0.00 0.00 178.15 177.77 3hl1 n GLU 121 N -4.44 2.29 -1.69 2.37 -0.58 -1.19 -4.56 120.64 112.84 3hl1 n GLU 121 Ca 0.07 -1.73 -0.53 0.00 -0.42 0.00 0.00 57.16 54.55 3hl1 n GLU 121 Cb 0.09 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 3hl1 n GLU 121 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3hl1 n TYR 122 N 0.80 2.10 -2.05 -0.32 9.36 -0.57 -4.49 117.16 121.99 3hl1 n TYR 122 Ca 0.16 0.36 -0.40 0.00 3.32 0.00 0.00 57.90 61.33 3hl1 n TYR 122 Cb 0.46 -2.52 -0.01 0.00 -0.63 0.00 0.00 39.34 36.64 3hl1 n TYR 122 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3hl1 s PRO 123 N 3.24 4.22 0.25 2.98 0.02 -1.26 -4.50 135.00 139.94 3hl1 s PRO 123 Ca 0.94 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 64.17 3hl1 s PRO 123 Cb -0.91 -2.98 0.37 0.00 0.02 0.00 0.00 34.50 31.00 3hl1 s PRO 123 CO 0.58 -0.32 1.84 1.49 -0.33 0.00 0.00 177.00 180.26 3hl1 h GLU 124 N 3.15 0.90 -0.30 5.54 4.81 -1.94 -2.63 114.58 124.11 3hl1 h GLU 124 Ca -0.49 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.75 3hl1 h GLU 124 Cb 1.23 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3hl1 h GLU 124 CO 0.64 0.60 0.21 0.11 -0.73 0.00 0.00 179.01 179.84 3hl1 h TRP 125 N 0.93 0.10 0.00 0.92 5.08 -1.97 -1.53 115.95 119.48 3hl1 h TRP 125 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.37 3hl1 h TRP 125 Cb 0.25 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 3hl1 h TRP 125 CO -0.04 0.06 0.00 0.00 -1.28 0.00 0.00 178.44 177.18 3hl1 h ARG 126 N 0.10 0.00 0.00 0.12 3.08 -1.86 -3.30 114.38 112.53 3hl1 h ARG 126 Ca 0.14 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3hl1 h ARG 126 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hl1 h ARG 126 CO -0.01 0.00 -0.23 1.79 -1.07 0.00 0.00 179.97 180.45 3hl1 h THR 127 N 0.00 0.57 -6.01 2.04 1.35 -1.35 -3.41 112.91 106.10 3hl1 h THR 127 Ca 0.00 -1.11 -0.39 0.00 -0.55 0.00 0.00 66.41 64.36 3hl1 h THR 127 Cb 0.66 1.75 0.09 0.00 -1.73 0.00 0.00 68.15 68.92 3hl1 h THR 127 CO 0.00 0.22 -0.86 0.00 -0.25 0.00 0.00 175.52 174.64 3hl1 n GLN 128 N -3.41 -3.80 -3.90 4.72 6.02 -1.24 -1.04 117.38 114.73 3hl1 n GLN 128 Ca 0.00 0.63 -0.11 0.00 -0.01 0.00 0.00 57.00 57.51 3hl1 n GLN 128 Cb 0.42 -5.08 -0.11 0.00 1.02 0.00 0.00 30.24 26.50 3hl1 n GLN 128 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3hl1 s ARG 129 N -5.73 0.30 -0.04 -1.09 1.70 -1.26 -4.64 118.95 108.19 3hl1 s ARG 129 Ca 0.17 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 3hl1 s ARG 129 Cb -0.04 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 3hl1 s ARG 129 CO 0.81 -0.06 1.51 -1.83 -1.08 0.00 0.00 175.30 174.65 3hl1 s GLU 130 N -0.95 4.22 0.34 3.89 -1.05 -1.26 -4.97 118.70 118.92 3hl1 s GLU 130 Ca -0.10 2.05 -0.27 0.00 -0.15 0.00 0.00 54.97 56.50 3hl1 s GLU 130 Cb -0.06 -3.78 -0.13 0.00 -0.44 0.00 0.00 34.13 29.72 3hl1 s GLU 130 CO 0.00 -0.73 1.05 -2.30 0.95 0.00 0.00 175.26 174.24 3hl1 n PRO 131 N 6.35 1.49 -3.11 -4.83 -0.02 -1.26 -4.92 135.00 128.70 3hl1 n PRO 131 Ca 0.15 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 3hl1 n PRO 131 Cb 0.43 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 3hl1 n PRO 131 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hl1 s ASP 132 N -0.57 6.26 0.00 2.55 -1.08 -1.26 -4.93 116.67 117.63 3hl1 s ASP 132 Ca 0.59 -0.73 0.25 0.00 -0.52 0.00 0.00 52.55 52.14 3hl1 s ASP 132 Cb -0.63 -2.31 0.71 0.00 -1.46 0.00 0.00 42.92 39.22 3hl1 s ASP 132 CO 0.60 -0.92 1.55 0.18 0.52 0.00 0.00 175.17 177.10 3hl1 n LEU 133 N 6.36 2.12 -4.77 -1.34 4.77 -1.26 -4.81 117.00 118.07 3hl1 n LEU 133 Ca -0.04 -0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 3hl1 n LEU 133 Cb 0.46 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3hl1 n LEU 133 CO 0.55 0.39 1.01 0.00 -1.33 0.00 0.00 177.39 178.01 3hl1 s ALA 134 N -1.90 3.50 -1.31 -1.18 0.00 -1.26 -4.68 121.76 114.93 3hl1 s ALA 134 Ca 0.34 1.32 0.21 0.00 0.00 0.00 0.00 51.96 53.84 3hl1 s ALA 134 Cb 0.20 -3.50 1.02 0.00 0.00 0.00 0.00 23.12 20.84 3hl1 s ALA 134 CO 0.31 -0.73 1.68 -0.40 0.00 0.00 0.00 175.76 176.62 3hl1 n ASP 135 N 0.71 0.00 -1.14 0.00 5.68 -1.26 -2.48 116.55 118.06 3hl1 n ASP 135 Ca 0.00 0.12 0.12 0.00 -0.50 0.00 0.00 54.79 54.54 3hl1 n ASP 135 Cb 0.41 -0.34 0.23 0.00 -1.14 0.00 0.00 41.12 40.28 3hl1 n ASP 135 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hl1 n ASP 136 N -1.34 3.41 -4.75 -1.12 5.68 -1.26 -4.88 116.55 112.29 3hl1 n ASP 136 Ca 0.09 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 51.99 3hl1 n ASP 136 Cb 0.19 -0.25 -0.04 0.00 -1.14 0.00 0.00 41.12 39.88 3hl1 n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hl1 s VAL 137 N -1.50 3.43 -0.03 2.12 1.01 -1.03 -4.94 120.40 119.47 3hl1 s VAL 137 Ca 0.39 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.77 3hl1 s VAL 137 Cb 0.23 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3hl1 s VAL 137 CO 0.32 0.30 0.02 1.07 0.00 0.00 0.00 175.10 176.80 3hl1 n THR 138 N 1.53 0.19 -5.22 3.92 5.66 -1.26 -5.03 114.28 114.06 3hl1 n THR 138 Ca 0.01 -0.12 -0.31 0.00 -3.05 0.00 0.00 64.05 60.57 3hl1 n THR 138 Cb 0.44 -0.79 -0.16 0.00 -1.55 0.00 0.00 70.33 68.28 3hl1 n THR 138 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3hl1 s ASP 139 N -3.27 3.24 0.14 1.09 1.01 -1.26 -4.47 116.67 113.15 3hl1 s ASP 139 Ca -0.01 -0.43 0.04 0.00 0.71 0.00 0.00 52.55 52.86 3hl1 s ASP 139 Cb 0.01 -0.56 -0.04 0.00 1.01 0.00 0.00 42.92 43.33 3hl1 s ASP 139 CO 0.12 0.30 -0.10 -0.31 0.21 0.00 0.00 175.17 175.40 3hl1 s TYR 140 N -0.51 1.24 -0.95 4.23 1.51 -0.53 -4.85 117.35 117.50 3hl1 s TYR 140 Ca 0.07 -0.76 0.28 0.00 -1.01 0.00 0.00 57.07 55.64 3hl1 s TYR 140 Cb -0.11 -0.64 1.00 0.00 -0.11 0.00 0.00 41.96 42.11 3hl1 s TYR 140 CO 0.00 0.07 1.78 0.41 -1.11 0.00 0.00 175.55 176.71 3hl1 n GLY 141 N -0.16 -1.47 3.61 0.71 0.00 -1.26 -0.60 105.19 106.02 3hl1 n GLY 141 Ca -0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 3hl1 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hl1 s SER 142 N -3.24 -0.33 0.19 1.61 1.04 -1.26 -4.76 113.70 106.95 3hl1 s SER 142 Ca 0.13 -0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 3hl1 s SER 142 Cb 0.18 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.89 3hl1 s SER 142 CO 0.58 -0.86 1.60 0.40 0.98 0.00 0.00 173.24 175.93 3hl1 h ILE 143 N 2.00 1.27 -0.94 -1.02 2.04 -1.80 -2.49 117.51 116.56 3hl1 h ILE 143 Ca -0.25 -1.34 0.09 0.00 1.00 0.00 0.00 64.86 64.37 3hl1 h ILE 143 Cb 1.25 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 3hl1 h ILE 143 CO 0.29 0.46 0.61 1.23 0.00 0.00 0.00 178.15 180.74 3hl1 h GLY 144 N 0.93 1.42 1.14 5.37 0.00 -1.94 -0.91 103.07 109.07 3hl1 h GLY 144 Ca 0.11 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 3hl1 h GLY 144 CO 0.06 0.23 -0.35 -2.09 0.00 0.00 0.00 176.54 174.40 3hl1 h GLU 145 N 0.99 0.95 -0.31 4.80 4.81 -1.90 -0.68 114.58 123.24 3hl1 h GLU 145 Ca 0.43 -0.48 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3hl1 h GLU 145 Cb 0.35 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3hl1 h GLU 145 CO -0.19 1.14 -0.03 0.35 -0.73 0.00 0.00 179.01 179.55 3hl1 h PHE 146 N 0.78 -0.07 -0.03 0.92 3.04 -0.89 -2.31 116.94 118.39 3hl1 h PHE 146 Ca 0.07 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.93 3hl1 h PHE 146 Cb 0.94 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 3hl1 h PHE 146 CO 0.06 -0.08 -0.53 1.88 -2.02 0.00 0.00 178.31 177.62 3hl1 h TYR 147 N 0.06 0.09 -0.58 0.41 0.05 -1.06 -1.72 116.97 114.23 3hl1 h TYR 147 Ca 0.15 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.95 3hl1 h TYR 147 Cb 0.21 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 3hl1 h TYR 147 CO -0.25 0.59 0.31 -0.44 -1.05 0.00 0.00 178.16 177.32 3hl1 h ASP 148 N 0.06 0.45 -0.46 3.88 3.32 -0.76 -1.12 116.42 121.79 3hl1 h ASP 148 Ca -0.00 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3hl1 h ASP 148 Cb 0.96 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3hl1 h ASP 148 CO 0.07 0.30 0.02 0.00 -1.72 0.00 0.00 179.24 177.91 3hl1 h ALA 149 N 1.30 0.61 -0.55 3.45 0.00 -1.18 -3.13 119.26 119.76 3hl1 h ALA 149 Ca 0.25 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hl1 h ALA 149 Cb 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hl1 h ALA 149 CO -0.17 0.39 0.31 1.25 0.00 0.00 0.00 179.25 181.03 3hl1 h LEU 150 N 0.64 0.47 -1.16 0.00 5.85 -0.98 -1.88 115.31 118.25 3hl1 h LEU 150 Ca 0.13 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.03 3hl1 h LEU 150 Cb 0.47 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3hl1 h LEU 150 CO 0.02 0.32 0.60 0.03 -0.34 0.00 0.00 178.44 179.07 3hl1 h ARG 151 N 0.59 0.73 0.15 1.25 3.08 -1.18 -2.88 114.38 116.13 3hl1 h ARG 151 Ca 0.23 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3hl1 h ARG 151 Cb 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3hl1 h ARG 151 CO -0.14 0.49 -0.07 0.28 -1.07 0.00 0.00 179.97 179.46 3hl1 h VAL 152 N 0.76 0.96 0.00 2.04 2.07 -1.30 -1.23 116.25 119.55 3hl1 h VAL 152 Ca 0.50 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hl1 h VAL 152 Cb 0.77 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3hl1 h VAL 152 CO -0.27 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.05 3hl1 n GLY 153 N -0.50 0.00 0.39 2.17 0.00 -1.09 -1.85 105.19 104.31 3hl1 n GLY 153 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hl1 n GLY 153 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hl1 n GLU 155 N 0.90 0.00 0.04 1.61 0.00 -0.47 -1.51 120.64 121.21 3hl1 n GLU 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3hl1 n GLU 155 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 31.44 31.75 3hl1 n GLU 155 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3hl1 h GLN 156 N 0.00 0.43 -0.47 5.31 4.20 -1.63 -3.03 115.11 119.92 3hl1 h GLN 156 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3hl1 h GLN 156 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3hl1 h GLN 156 CO 0.00 0.52 0.00 1.28 -0.67 0.00 0.00 178.83 179.96 3hl1 n LEU 157 N -4.26 4.68 0.07 1.46 4.77 -0.57 -4.64 117.00 118.52 3hl1 n LEU 157 Ca 0.01 -2.77 0.21 0.00 -0.03 0.00 0.00 56.01 53.42 3hl1 n LEU 157 Cb 0.27 -0.58 0.71 0.00 -2.33 0.00 0.00 43.42 41.49 3hl1 n LEU 157 CO 0.39 0.70 1.19 0.08 -1.33 0.00 0.00 177.39 178.41 3hl1 h ARG 158 N 3.13 0.00 -0.04 3.23 0.11 -1.78 -0.93 114.38 118.10 3hl1 h ARG 158 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 3hl1 h ARG 158 Cb 1.58 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.66 3hl1 h ARG 158 CO 0.30 0.00 0.05 0.78 0.10 0.00 0.00 179.97 181.20 3hl1 h GLY 159 N 0.00 0.00 2.00 0.08 0.00 -1.86 -1.71 103.07 101.58 3hl1 h GLY 159 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hl1 h GLY 159 CO -0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 3hl1 n HIS 160 N -3.87 0.44 -2.02 5.60 8.25 -0.35 -4.74 115.22 118.52 3hl1 n HIS 160 Ca -0.02 0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3hl1 n HIS 160 Cb 0.14 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.50 3hl1 n HIS 160 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hl1 s VAL 161 N -3.07 3.56 -0.09 1.59 1.01 -0.64 -4.55 120.40 118.21 3hl1 s VAL 161 Ca 0.11 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.86 3hl1 s VAL 161 Cb 0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3hl1 s VAL 161 CO 0.51 -0.06 -0.22 -0.13 0.00 0.00 0.00 175.10 175.21 3hl1 s ARG 162 N 3.80 2.92 0.51 2.72 0.52 -0.06 0.02 118.95 129.38 3hl1 s ARG 162 Ca 0.72 -0.85 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 3hl1 s ARG 162 Cb -0.33 -2.32 -0.07 0.00 0.52 0.00 0.00 34.95 32.75 3hl1 s ARG 162 CO 0.29 0.27 1.05 0.20 0.02 0.00 0.00 175.30 177.13 3hl1 s GLY 163 N 0.13 2.43 -1.43 -3.53 0.00 -1.13 -4.02 107.32 99.77 3hl1 s GLY 163 Ca -0.11 0.57 -0.09 0.00 0.00 0.00 0.00 44.72 45.09 3hl1 s GLY 163 CO 0.06 0.89 0.65 0.70 0.00 0.00 0.00 173.10 175.40 3hl1 n ASN 164 N -1.22 -4.81 -4.31 1.64 3.02 0.05 -4.87 115.26 104.76 3hl1 n ASN 164 Ca 0.09 -0.44 -0.41 0.00 -0.03 0.00 0.00 54.58 53.79 3hl1 n ASN 164 Cb 0.53 -3.90 -0.09 0.00 -0.61 0.00 0.00 39.78 35.70 3hl1 n ASN 164 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hl1 s GLN 165 N -6.05 2.71 -1.46 3.52 0.74 -1.26 -4.58 119.66 113.29 3hl1 s GLN 165 Ca 0.43 -1.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.41 3hl1 s GLN 165 Cb -0.21 -3.86 0.03 0.00 1.10 0.00 0.00 33.01 30.07 3hl1 s GLN 165 CO 0.53 -0.95 0.50 1.63 -0.55 0.00 0.00 175.29 176.45 3hl1 n LYS 166 N 4.99 -3.37 -0.94 1.67 5.02 -1.26 -4.00 118.16 120.28 3hl1 n LYS 166 Ca -0.11 0.41 -0.05 0.00 -2.02 0.00 0.00 58.31 56.54 3hl1 n LYS 166 Cb 0.43 -4.66 0.02 0.00 -0.02 0.00 0.00 35.03 30.81 3hl1 n LYS 166 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hl1 n GLN 167 N -4.41 0.41 0.00 1.97 1.13 -1.26 -4.58 117.38 110.64 3hl1 n GLN 167 Ca -0.23 -0.52 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 3hl1 n GLN 167 Cb 0.65 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3hl1 n GLN 167 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hl1 n ASP 169 N -3.00 0.00 -1.71 1.08 2.03 -1.26 -4.99 116.55 108.70 3hl1 n ASP 169 Ca 0.03 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.17 3hl1 n ASP 169 Cb 0.11 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.64 3hl1 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3hl1 n GLU 170 N 0.00 2.54 0.00 -0.67 -0.58 -1.26 -5.20 120.64 115.47 3hl1 n GLU 170 Ca 0.00 -3.49 0.00 0.00 -0.42 0.00 0.00 57.16 53.25 3hl1 n GLU 170 Cb 0.00 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 28.80 3hl1 n GLU 170 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3hl1 n PRO 179 N -0.97 0.00 -0.26 3.49 -0.05 -1.26 -5.14 135.00 130.82 3hl1 n PRO 179 Ca 0.44 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.95 3hl1 n PRO 179 Cb 0.97 0.00 0.18 0.00 -0.05 0.00 0.00 33.50 34.60 3hl1 n PRO 179 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 175.50 174.10 3hl1 h PRO 180 N 0.00 0.14 0.00 0.54 0.11 -2.04 -3.46 132.00 127.29 3hl1 h PRO 180 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hl1 h PRO 180 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3hl1 h PRO 180 CO 0.00 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.17 3hl1 n LEU 181 N -5.29 0.34 -4.32 2.35 4.77 -1.26 -5.02 117.00 108.56 3hl1 n LEU 181 Ca 0.15 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 3hl1 n LEU 181 Cb 0.49 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 3hl1 n LEU 181 CO 0.07 -0.20 -0.37 0.42 -1.33 0.00 0.00 177.39 175.98 3hl1 s THR 182 N -2.76 1.25 -0.44 -5.08 -4.23 -1.26 -4.84 115.64 98.28 3hl1 s THR 182 Ca 0.00 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 3hl1 s THR 182 Cb 0.00 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.69 3hl1 s THR 182 CO 0.00 -0.47 0.50 -0.69 -0.54 0.00 0.00 174.62 173.41 3hl1 s VAL 183 N -3.28 5.02 -0.34 2.29 1.01 -1.26 -4.93 120.40 118.91 3hl1 s VAL 183 Ca 0.24 -0.36 0.20 0.00 0.00 0.00 0.00 61.98 62.07 3hl1 s VAL 183 Cb 0.04 -4.11 -0.28 0.00 0.00 0.00 0.00 36.38 32.02 3hl1 s VAL 183 CO 0.07 -0.53 0.58 0.35 0.00 0.00 0.00 175.10 175.57 3hl1 n THR 184 N 5.51 0.00 -4.18 3.92 -2.24 -1.26 -0.77 114.28 115.25 3hl1 n THR 184 Ca -0.07 -0.31 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 3hl1 n THR 184 Cb 0.47 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 3hl1 n THR 184 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hl1 s GLU 185 N -3.21 2.32 0.40 -0.78 0.41 -1.26 -3.81 118.70 112.77 3hl1 s GLU 185 Ca -0.02 -1.53 0.08 0.00 -0.41 0.00 0.00 54.97 53.08 3hl1 s GLU 185 Cb 0.14 -2.14 -0.01 0.00 -1.78 0.00 0.00 34.13 30.34 3hl1 s GLU 185 CO 0.83 0.18 0.46 -1.12 -0.49 0.00 0.00 175.26 175.13 3hl1 s SER 186 N -3.78 5.42 0.82 -0.19 0.01 -1.26 -2.84 113.70 111.87 3hl1 s SER 186 Ca 0.36 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3hl1 s SER 186 Cb -0.03 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.50 3hl1 s SER 186 CO 0.22 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.82 3hl1 n GLY 187 N -1.67 2.46 0.33 3.44 0.00 0.10 -2.72 105.19 107.13 3hl1 n GLY 187 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 3hl1 n GLY 187 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hl1 h ASP 188 N 8.06 0.97 -0.68 1.61 5.19 -1.91 -0.94 116.42 128.73 3hl1 h ASP 188 Ca 0.00 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 3hl1 h ASP 188 Cb 0.00 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.23 3hl1 h ASP 188 CO 0.00 0.70 0.42 0.00 -3.12 0.00 0.00 179.24 177.24 3hl1 h ALA 189 N 1.32 0.89 -0.16 3.45 0.00 -1.90 -0.59 119.26 122.28 3hl1 h ALA 189 Ca 0.32 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 3hl1 h ALA 189 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hl1 h ALA 189 CO -0.08 0.19 -0.59 0.78 0.00 0.00 0.00 179.25 179.55 3hl1 h GLY 190 N 0.83 0.57 0.99 0.00 0.00 -1.21 -2.27 103.07 101.97 3hl1 h GLY 190 Ca 0.28 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.93 3hl1 h GLY 190 CO -0.11 0.62 0.32 -2.75 0.00 0.00 0.00 176.54 174.62 3hl1 h PHE 191 N 0.39 0.61 -0.91 5.60 3.57 -0.76 0.11 116.94 125.55 3hl1 h PHE 191 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3hl1 h PHE 191 Cb 1.14 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 3hl1 h PHE 191 CO 0.04 0.38 0.52 -0.07 -2.23 0.00 0.00 178.31 176.96 3hl1 h LEU 192 N 0.66 1.12 -0.48 0.59 3.38 -1.00 -0.58 115.31 119.00 3hl1 h LEU 192 Ca 0.18 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3hl1 h LEU 192 Cb -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 3hl1 h LEU 192 CO -0.05 0.88 0.23 1.56 0.09 0.00 0.00 178.44 181.16 3hl1 h GLN 193 N 1.27 0.45 -0.90 1.13 4.20 -0.99 -2.55 115.11 117.72 3hl1 h GLN 193 Ca 0.32 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 59.04 3hl1 h GLN 193 Cb -0.01 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3hl1 h GLN 193 CO -0.06 0.30 0.59 0.00 -0.67 0.00 0.00 178.83 178.99 3hl1 h ALA 194 N 1.26 1.42 -0.78 3.87 0.00 -0.15 -1.57 119.26 123.31 3hl1 h ALA 194 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hl1 h ALA 194 Cb 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3hl1 h ALA 194 CO -0.15 0.51 0.42 -0.07 0.00 0.00 0.00 179.25 179.95 3hl1 h LEU 195 N 1.14 0.97 -0.89 0.00 3.38 -0.81 -1.03 115.31 118.07 3hl1 h LEU 195 Ca 0.35 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3hl1 h LEU 195 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3hl1 h LEU 195 CO -0.10 0.78 0.22 0.74 0.09 0.00 0.00 178.44 180.18 3hl1 h THR 196 N 1.08 1.25 -0.54 0.22 2.02 -0.91 -0.71 112.91 115.32 3hl1 h THR 196 Ca 0.27 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 3hl1 h THR 196 Cb 0.04 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3hl1 h THR 196 CO -0.04 0.33 0.22 -0.07 0.37 0.00 0.00 175.52 176.33 3hl1 h LEU 197 N 1.00 0.74 -0.72 2.58 3.38 -0.71 -1.74 115.31 119.85 3hl1 h LEU 197 Ca 0.22 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hl1 h LEU 197 Cb 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3hl1 h LEU 197 CO -0.01 0.70 0.46 0.58 0.09 0.00 0.00 178.44 180.26 3hl1 h VAL 198 N 0.73 1.12 -0.74 1.22 2.07 -0.84 -2.45 116.25 117.36 3hl1 h VAL 198 Ca 0.18 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3hl1 h VAL 198 Cb 0.19 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 3hl1 h VAL 198 CO -0.02 0.16 0.45 0.44 0.02 0.00 0.00 177.57 178.63 3hl1 h ASP 199 N 0.90 0.88 -0.67 0.57 3.32 -0.75 -1.09 116.42 119.58 3hl1 h ASP 199 Ca 0.28 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.31 3hl1 h ASP 199 Cb -0.01 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3hl1 h ASP 199 CO -0.10 0.68 0.41 0.40 -1.72 0.00 0.00 179.24 178.91 3hl1 h ILE 200 N 1.00 1.05 0.21 0.35 2.04 -1.13 0.44 117.51 121.48 3hl1 h ILE 200 Ca 0.27 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3hl1 h ILE 200 Cb -0.05 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3hl1 h ILE 200 CO -0.05 0.14 -0.10 0.40 0.00 0.00 0.00 178.15 178.54 3hl1 h ILE 201 N 0.78 0.83 -0.20 -0.67 2.04 -0.89 -2.76 117.51 116.64 3hl1 h ILE 201 Ca 0.28 -0.18 -0.17 0.00 1.00 0.00 0.00 64.86 65.79 3hl1 h ILE 201 Cb 0.08 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3hl1 h ILE 201 CO -0.13 0.04 -0.56 0.58 0.00 0.00 0.00 178.15 178.08 3hl1 h VAL 202 N -0.37 1.30 -0.70 1.67 2.07 -1.16 -3.09 116.25 115.98 3hl1 h VAL 202 Ca -0.03 -1.78 0.08 0.00 0.82 0.00 0.00 66.70 65.79 3hl1 h VAL 202 Cb 0.28 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3hl1 h VAL 202 CO 0.05 0.56 0.46 0.44 0.02 0.00 0.00 177.57 179.10 3hl1 h ASP 203 N 0.44 0.59 -3.23 0.57 5.19 -0.98 -3.50 116.42 115.50 3hl1 h ASP 203 Ca -0.01 0.01 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 3hl1 h ASP 203 Cb 1.18 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.52 3hl1 h ASP 203 CO 0.12 0.37 1.08 -1.10 -3.12 0.00 0.00 179.24 176.59 3hl1 s GLN 204 N -5.60 3.58 0.11 3.56 -0.21 -1.04 -4.84 119.66 115.22 3hl1 s GLN 204 Ca -0.09 0.99 -0.06 0.00 0.02 0.00 0.00 55.36 56.22 3hl1 s GLN 204 Cb 0.20 -4.03 -0.02 0.00 1.00 0.00 0.00 33.01 30.16 3hl1 s GLN 204 CO 0.77 -1.56 0.15 -1.25 -2.12 0.00 0.00 175.29 171.27 3hl1 s PRO 231 N 4.95 0.91 0.16 2.91 0.05 -1.26 -4.68 135.00 138.03 3hl1 s PRO 231 Ca 0.62 -1.18 -0.15 0.00 0.05 0.00 0.00 61.00 60.34 3hl1 s PRO 231 Cb -0.14 0.31 0.03 0.00 0.05 0.00 0.00 34.50 34.74 3hl1 s PRO 231 CO 0.32 -0.28 1.80 0.45 0.05 0.00 0.00 177.00 179.34 3hl1 h HIS 232 N 2.79 0.58 0.05 0.56 3.86 -1.95 -1.52 115.15 119.52 3hl1 h HIS 232 Ca -0.34 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.90 3hl1 h HIS 232 Cb 1.20 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 3hl1 h HIS 232 CO 0.44 0.40 -0.27 0.35 0.86 0.00 0.00 177.93 179.71 3hl1 h PHE 233 N 0.59 -0.72 -0.57 2.45 3.57 -1.83 0.82 116.94 121.25 3hl1 h PHE 233 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 3hl1 h PHE 233 Cb -0.02 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3hl1 h PHE 233 CO -0.04 -0.36 0.32 1.96 -2.23 0.00 0.00 178.31 177.97 3hl1 h GLN 234 N -0.44 0.61 -0.42 1.11 1.08 -1.88 0.23 115.11 115.40 3hl1 h GLN 234 Ca 0.05 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.30 3hl1 h GLN 234 Cb 0.50 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.71 3hl1 h GLN 234 CO -0.20 0.41 -0.13 0.07 -0.95 0.00 0.00 178.83 178.03 3hl1 h ARG 235 N 0.63 -0.03 -0.07 1.46 -0.00 -0.76 0.11 114.38 115.73 3hl1 h ARG 235 Ca 0.24 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.01 3hl1 h ARG 235 Cb 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.07 3hl1 h ARG 235 CO -0.13 -0.02 -0.83 0.74 -0.00 0.00 0.00 179.97 179.73 3hl1 h PHE 236 N -0.03 0.78 -0.97 4.08 0.04 -0.22 -2.60 116.94 118.01 3hl1 h PHE 236 Ca 0.20 -0.37 0.01 0.00 2.80 0.00 0.00 57.97 60.61 3hl1 h PHE 236 Cb 0.34 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 3hl1 h PHE 236 CO -0.39 1.18 0.63 0.22 -0.60 0.00 0.00 178.31 179.35 3hl1 h ASP 237 N 0.36 1.13 -0.30 2.17 3.58 -0.37 -0.74 116.42 122.26 3hl1 h ASP 237 Ca -0.06 -0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.39 3hl1 h ASP 237 Cb 1.45 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 3hl1 h ASP 237 CO 0.15 0.84 0.03 0.15 -2.88 0.00 0.00 179.24 177.53 3hl1 h PHE 238 N 1.33 0.05 -0.68 0.28 3.57 -0.79 -1.87 116.94 118.83 3hl1 h PHE 238 Ca 0.35 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 3hl1 h PHE 238 Cb -0.13 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3hl1 h PHE 238 CO 0.00 -0.01 0.16 0.82 -2.23 0.00 0.00 178.31 177.05 3hl1 h ILE 239 N 0.13 1.26 -0.48 1.41 2.04 -1.06 -2.42 117.51 118.38 3hl1 h ILE 239 Ca 0.14 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.09 3hl1 h ILE 239 Cb 0.17 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3hl1 h ILE 239 CO -0.21 0.36 0.32 -0.09 0.00 0.00 0.00 178.15 178.54 3hl1 h ARG 240 N 1.01 0.46 -5.32 2.37 2.43 -0.85 -3.47 114.38 111.01 3hl1 h ARG 240 Ca 0.21 -0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.67 3hl1 h ARG 240 Cb 0.37 -0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 29.67 3hl1 h ARG 240 CO 0.00 0.30 1.38 1.03 -1.51 0.00 0.00 179.97 181.18 3hl1 s ARG 241 N -5.43 3.82 -0.05 0.20 0.52 -0.73 -5.10 118.95 112.17 3hl1 s ARG 241 Ca -0.08 -1.92 0.02 0.00 -0.52 0.00 0.00 55.73 53.22 3hl1 s ARG 241 Cb 0.18 -5.17 -0.04 0.00 0.52 0.00 0.00 34.95 30.45 3hl1 s ARG 241 CO 0.74 -1.95 -0.03 -2.30 0.02 0.00 0.00 175.30 171.78 3hl1 n PRO 243 N 7.10 1.22 -3.90 3.54 -0.02 -1.26 -5.10 135.00 136.59 3hl1 n PRO 243 Ca 0.34 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 3hl1 n PRO 243 Cb 0.47 -1.11 -0.15 0.00 -0.02 0.00 0.00 33.50 32.69 3hl1 n PRO 243 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3hl1 s ASN 244 N -4.17 4.29 0.27 2.55 0.01 -1.26 -5.11 114.94 111.52 3hl1 s ASN 244 Ca -0.05 -1.73 -0.22 0.00 -0.71 0.00 0.00 52.86 50.14 3hl1 s ASN 244 Cb 0.02 -1.25 -0.09 0.00 0.41 0.00 0.00 41.25 40.33 3hl1 s ASN 244 CO 0.14 -0.36 0.81 0.26 -1.51 0.00 0.00 177.10 176.44 3hl1 s TRP 245 N 1.27 3.65 0.75 2.20 0.52 -1.26 -5.05 118.94 121.02 3hl1 s TRP 245 Ca 0.06 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 3hl1 s TRP 245 Cb -0.18 -2.73 0.04 0.00 -1.15 0.00 0.00 33.47 29.45 3hl1 s TRP 245 CO -0.14 0.27 1.09 -1.25 0.02 0.00 0.00 176.95 176.94 3hl1 s PRO 246 N -2.07 2.44 0.45 4.98 0.04 -1.26 -4.98 135.00 134.60 3hl1 s PRO 246 Ca 0.46 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 3hl1 s PRO 246 Cb -0.17 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3hl1 s PRO 246 CO 0.22 -1.50 1.42 0.20 0.04 0.00 0.00 177.00 177.38 3hl1 s GLY 247 N -3.42 2.92 0.12 0.56 0.00 -1.26 -4.92 107.32 101.32 3hl1 s GLY 247 Ca 0.61 1.45 0.09 0.00 0.00 0.00 0.00 44.72 46.87 3hl1 s GLY 247 CO 0.55 2.06 -0.22 -1.34 0.00 0.00 0.00 173.10 174.14 3hl1 s VAL 248 N -1.21 1.89 0.66 1.40 -7.23 -1.26 -1.70 120.40 112.96 3hl1 s VAL 248 Ca 0.61 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.95 3hl1 s VAL 248 Cb -0.43 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3hl1 s VAL 248 CO 0.56 -0.06 1.20 -0.31 -0.31 0.00 0.00 175.10 176.18 3hl1 s TYR 249 N -1.27 2.27 0.01 2.82 2.02 0.63 -4.89 117.35 118.94 3hl1 s TYR 249 Ca 0.10 1.56 -0.00 0.00 -0.37 0.00 0.00 57.07 58.35 3hl1 s TYR 249 Cb -0.09 -3.44 -0.04 0.00 -0.40 0.00 0.00 41.96 37.99 3hl1 s TYR 249 CO 0.05 -2.33 0.11 -0.08 -1.57 0.00 0.00 175.55 171.74 3hl1 s THR 250 N -1.87 4.90 -0.02 -0.71 -1.32 -1.26 -4.91 115.64 110.45 3hl1 s THR 250 Ca 0.75 -0.40 -0.28 0.00 -1.21 0.00 0.00 61.69 60.54 3hl1 s THR 250 Cb -0.29 -3.28 0.10 0.00 -1.51 0.00 0.00 72.50 67.52 3hl1 s THR 250 CO 0.40 0.30 0.84 -0.83 -2.21 0.00 0.00 174.62 173.12 3hl1 s GLY 251 N -1.93 -0.46 0.10 6.08 0.00 -1.26 -4.21 107.32 105.63 3hl1 s GLY 251 Ca 0.26 1.18 0.04 0.00 0.00 0.00 0.00 44.72 46.19 3hl1 s GLY 251 CO 0.17 0.53 0.08 -1.34 0.00 0.00 0.00 173.10 172.54 3hl1 s VAL 252 N -2.57 4.48 -0.12 1.40 -7.23 -0.07 -4.61 120.40 111.68 3hl1 s VAL 252 Ca 0.01 -0.85 0.21 0.00 -1.81 0.00 0.00 61.98 59.54 3hl1 s VAL 252 Cb -0.01 -3.18 0.20 0.00 0.56 0.00 0.00 36.38 33.96 3hl1 s VAL 252 CO -0.05 0.08 1.64 0.71 -0.31 0.00 0.00 175.10 177.17 3hl1 h THR 253 N 2.49 0.50 -2.52 5.32 1.35 -1.88 -0.45 112.91 117.73 3hl1 h THR 253 Ca -0.47 -1.47 -0.60 0.00 -0.55 0.00 0.00 66.41 63.32 3hl1 h THR 253 Cb 1.17 2.06 -0.40 0.00 -1.73 0.00 0.00 68.15 69.25 3hl1 h THR 253 CO 0.65 0.26 -0.85 0.47 -0.25 0.00 0.00 175.52 175.80 3hl1 n ASP 254 N -3.24 0.95 -4.77 5.36 9.92 -1.26 -4.77 116.55 118.73 3hl1 n ASP 254 Ca 0.02 -2.74 -0.32 0.00 -0.53 0.00 0.00 54.79 51.22 3hl1 n ASP 254 Cb 0.56 -0.63 0.08 0.00 -0.64 0.00 0.00 41.12 40.49 3hl1 n ASP 254 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3hl1 s PRO 255 N -0.74 2.47 0.18 -0.24 0.04 -1.26 -4.90 135.00 130.55 3hl1 s PRO 255 Ca 0.31 1.21 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 3hl1 s PRO 255 Cb 0.04 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 3hl1 s PRO 255 CO -0.17 -1.49 1.40 -2.30 0.04 0.00 0.00 177.00 174.49 3hl1 n PRO 256 N -3.19 1.76 -0.24 0.56 -0.02 -1.26 -4.76 135.00 127.85 3hl1 n PRO 256 Ca 0.09 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.23 3hl1 n PRO 256 Cb 0.53 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.79 3hl1 n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hl1 n ALA 257 N 2.35 0.09 -0.37 3.55 0.00 -1.26 -0.15 120.51 124.72 3hl1 n ALA 257 Ca 0.15 0.69 0.08 0.00 0.00 0.00 0.00 53.44 54.36 3hl1 n ALA 257 Cb 0.27 -0.39 0.32 0.00 0.00 0.00 0.00 19.45 19.66 3hl1 n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl1 n GLY 258 N -1.38 2.44 3.90 0.00 0.00 -1.26 -4.65 105.19 104.23 3hl1 n GLY 258 Ca 0.09 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3hl1 n GLY 258 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hl1 s SER 259 N -0.80 6.28 0.40 1.61 1.04 0.79 -4.93 113.70 118.09 3hl1 s SER 259 Ca 0.45 1.05 0.18 0.00 0.48 0.00 0.00 55.95 58.11 3hl1 s SER 259 Cb 0.30 -2.30 1.10 0.00 0.10 0.00 0.00 66.02 65.22 3hl1 s SER 259 CO 0.20 -0.62 1.79 -0.65 0.98 0.00 0.00 173.24 174.95 3hl1 h PRO 260 N 0.22 0.39 -0.32 4.02 0.11 -1.94 -1.51 132.00 132.96 3hl1 h PRO 260 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3hl1 h PRO 260 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hl1 h PRO 260 CO 0.62 0.26 -0.24 0.78 -0.21 0.00 0.00 178.00 179.20 3hl1 h GLY 261 N 0.40 0.80 1.31 -0.55 0.00 -1.91 0.05 103.07 103.17 3hl1 h GLY 261 Ca 0.56 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3hl1 h GLY 261 CO -0.26 0.70 -0.11 0.00 0.00 0.00 0.00 176.54 176.87 3hl1 h ALA 262 N 0.75 0.96 0.00 3.60 0.00 -1.54 -0.45 119.26 122.58 3hl1 h ALA 262 Ca 0.06 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3hl1 h ALA 262 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hl1 h ALA 262 CO 0.06 0.61 -0.43 0.93 0.00 0.00 0.00 179.25 180.43 3hl1 h GLU 263 N 0.73 0.00 -0.16 0.00 5.08 -1.25 0.65 114.58 119.64 3hl1 h GLU 263 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3hl1 h GLU 263 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3hl1 h GLU 263 CO 0.04 0.43 0.01 0.00 -1.00 0.00 0.00 179.01 178.48 3hl1 h ALA 264 N 1.57 0.22 -0.70 3.43 0.00 -0.50 -1.03 119.26 122.25 3hl1 h ALA 264 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3hl1 h ALA 264 Cb 0.75 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3hl1 h ALA 264 CO 0.06 -0.09 0.38 1.96 0.00 0.00 0.00 179.25 181.56 3hl1 h GLN 265 N 0.04 0.66 -0.62 0.00 4.20 -0.68 -1.25 115.11 117.46 3hl1 h GLN 265 Ca 0.05 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3hl1 h GLN 265 Cb 0.36 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3hl1 h GLN 265 CO 0.01 0.44 0.05 0.00 -0.67 0.00 0.00 178.83 178.66 3hl1 h ALA 266 N 1.39 0.93 -0.65 3.87 0.00 -0.72 -0.51 119.26 123.56 3hl1 h ALA 266 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hl1 h ALA 266 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hl1 h ALA 266 CO -0.22 0.65 0.42 -0.09 0.00 0.00 0.00 179.25 180.01 3hl1 h ARG 267 N 0.96 0.87 -0.41 0.00 2.43 -0.71 -1.10 114.38 116.43 3hl1 h ARG 267 Ca 0.18 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3hl1 h ARG 267 Cb 0.48 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3hl1 h ARG 267 CO 0.02 0.60 0.09 1.25 -1.51 0.00 0.00 179.97 180.42 3hl1 h LEU 268 N 0.89 0.63 -0.63 3.80 5.85 -0.91 -0.43 115.31 124.51 3hl1 h LEU 268 Ca 0.24 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hl1 h LEU 268 Cb -0.07 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3hl1 h LEU 268 CO -0.05 0.71 0.38 0.40 -0.34 0.00 0.00 178.44 179.54 3hl1 h ILE 269 N 0.53 1.07 -0.23 4.05 2.04 -0.91 0.14 117.51 124.21 3hl1 h ILE 269 Ca 0.13 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3hl1 h ILE 269 Cb 0.33 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3hl1 h ILE 269 CO 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 178.15 178.26 3hl1 h ALA 270 N 1.27 0.31 -0.60 1.87 0.00 -1.06 -1.97 119.26 119.09 3hl1 h ALA 270 Ca 0.25 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3hl1 h ALA 270 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hl1 h ALA 270 CO -0.10 0.07 -0.03 -0.44 0.00 0.00 0.00 179.25 178.75 3hl1 h ASP 271 N 0.17 1.06 -0.72 0.00 3.32 -0.96 -2.01 116.42 117.27 3hl1 h ASP 271 Ca 0.06 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3hl1 h ASP 271 Cb 0.47 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3hl1 h ASP 271 CO 0.02 1.12 0.25 0.15 -1.72 0.00 0.00 179.24 179.05 3hl1 h PHE 272 N 0.97 1.14 -0.46 4.55 3.57 -0.70 0.69 116.94 126.70 3hl1 h PHE 272 Ca 0.17 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3hl1 h PHE 272 Cb 0.59 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3hl1 h PHE 272 CO 0.04 0.90 0.24 0.00 -2.23 0.00 0.00 178.31 177.26 3hl1 h ALA 273 N 1.12 0.59 -0.86 2.41 0.00 -1.23 -0.88 119.26 120.41 3hl1 h ALA 273 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hl1 h ALA 273 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hl1 h ALA 273 CO -0.01 0.14 0.47 0.78 0.00 0.00 0.00 179.25 180.62 3hl1 h GLY 274 N 0.61 1.29 0.96 0.00 0.00 -1.05 -1.78 103.07 103.09 3hl1 h GLY 274 Ca 0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3hl1 h GLY 274 CO -0.02 0.57 0.14 -2.75 0.00 0.00 0.00 176.54 174.48 3hl1 h PHE 275 N 1.21 0.73 -0.62 5.60 3.57 -0.56 -2.09 116.94 124.77 3hl1 h PHE 275 Ca 0.30 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3hl1 h PHE 275 Cb 0.04 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3hl1 h PHE 275 CO 0.01 0.65 0.29 -0.07 -2.23 0.00 0.00 178.31 176.96 3hl1 h LEU 276 N 0.59 0.80 -0.90 0.59 3.38 -0.96 0.20 115.31 119.01 3hl1 h LEU 276 Ca 0.15 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hl1 h LEU 276 Cb 0.26 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3hl1 h LEU 276 CO -0.01 0.68 0.59 0.44 0.09 0.00 0.00 178.44 180.24 3hl1 h ASP 277 N 0.88 1.02 0.25 -0.43 3.32 -1.02 0.12 116.42 120.57 3hl1 h ASP 277 Ca 0.22 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3hl1 h ASP 277 Cb 0.10 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3hl1 h ASP 277 CO -0.03 0.73 -0.12 0.40 -1.72 0.00 0.00 179.24 178.50 3hl1 h ILE 278 N 1.21 0.78 -0.80 0.35 2.04 -0.67 -2.58 117.51 117.84 3hl1 h ILE 278 Ca 0.34 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 66.05 3hl1 h ILE 278 Cb -0.11 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 3hl1 h ILE 278 CO -0.08 0.04 0.49 -0.07 0.00 0.00 0.00 178.15 178.54 3hl1 h LEU 279 N -0.44 0.78 -0.91 1.44 3.38 -0.85 -2.51 115.31 116.19 3hl1 h LEU 279 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hl1 h LEU 279 Cb 0.34 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3hl1 h LEU 279 CO 0.06 0.51 0.60 0.78 0.09 0.00 0.00 178.44 180.47 3hl1 h ASN 280 N 0.92 1.00 0.00 -0.43 2.35 -0.80 0.17 115.58 118.78 3hl1 h ASN 280 Ca 0.35 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3hl1 h ASN 280 Cb 0.14 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3hl1 h ASN 280 CO -0.16 0.69 0.00 0.61 -1.65 0.00 0.00 177.43 176.92 3hl1 n GLY 281 N -1.35 0.49 0.00 2.83 0.00 -0.95 -2.27 105.19 103.95 3hl1 n GLY 281 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3hl1 n GLY 281 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hl1 n PHE 283 N 0.56 0.00 -0.56 1.61 3.01 0.59 -0.18 117.46 122.49 3hl1 n PHE 283 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 3hl1 n PHE 283 Cb 0.10 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.79 3hl1 n PHE 283 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hl1 n SER 284 N 0.00 3.48 0.00 4.37 7.64 -0.96 -4.30 113.62 123.84 3hl1 n SER 284 Ca 0.00 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.41 3hl1 n SER 284 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3hl1 n SER 284 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hl1 n GLY 285 N 0.11 0.66 3.81 0.23 0.00 -1.17 -5.01 105.19 103.82 3hl1 n GLY 285 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hl1 n GLY 285 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hl1 s GLY 286 N -1.36 1.93 0.52 -0.02 0.00 0.75 -4.98 107.32 104.16 3hl1 s GLY 286 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 44.72 44.78 3hl1 s GLY 286 CO 0.00 0.57 1.07 -0.32 0.00 0.00 0.00 173.10 174.42 3hl1 s GLY 287 N -3.22 2.52 -0.04 0.20 0.00 -1.26 -4.83 107.32 100.68 3hl1 s GLY 287 Ca 0.61 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.70 3hl1 s GLY 287 CO 0.45 1.00 1.63 0.00 0.00 0.00 0.00 173.10 176.18 3hl1 s ALA 288 N -1.95 3.62 0.71 3.20 0.00 -1.26 -4.99 121.76 121.10 3hl1 s ALA 288 Ca 0.69 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 3hl1 s ALA 288 Cb -0.19 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.22 3hl1 s ALA 288 CO 0.24 -1.34 1.07 -1.25 0.00 0.00 0.00 175.76 174.47 3hl1 s PRO 289 N 3.83 2.79 0.53 0.00 0.04 -1.26 -4.91 135.00 136.02 3hl1 s PRO 289 Ca 0.73 0.89 0.24 0.00 0.04 0.00 0.00 61.00 62.90 3hl1 s PRO 289 Cb -0.33 -1.98 1.38 0.00 0.04 0.00 0.00 34.50 33.61 3hl1 s PRO 289 CO 0.29 -1.19 2.03 -1.35 0.04 0.00 0.00 177.00 176.82 3hl1 h PRO 290 N -0.78 0.00 0.00 0.56 0.11 -2.06 -1.28 132.00 128.55 3hl1 h PRO 290 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hl1 h PRO 290 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hl1 h PRO 290 CO 0.57 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.41 3hl1 n ALA 291 N -2.61 0.98 0.08 -0.75 0.00 -1.26 -3.88 120.51 113.07 3hl1 n ALA 291 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 3hl1 n ALA 291 Cb 0.50 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 3hl1 n ALA 291 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hl1 h PHE 292 N 0.00 -0.26 -0.48 0.00 3.57 -1.59 -1.83 116.94 116.35 3hl1 h PHE 292 Ca 0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 3hl1 h PHE 292 Cb 0.09 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3hl1 h PHE 292 CO 0.00 0.10 -0.06 0.78 -2.23 0.00 0.00 178.31 176.90 3hl1 h GLY 293 N -0.94 0.92 1.23 2.40 0.00 -1.81 -3.13 103.07 101.74 3hl1 h GLY 293 Ca -0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 3hl1 h GLY 293 CO 0.05 0.62 0.13 -2.08 0.00 0.00 0.00 176.54 175.26 3hl1 h VAL 294 N 0.77 1.24 0.00 4.60 2.07 -1.70 -2.68 116.25 120.56 3hl1 h VAL 294 Ca 0.14 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3hl1 h VAL 294 Cb 0.55 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hl1 h VAL 294 CO 0.03 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3hl1 n GLN 295 N -4.25 0.76 0.00 1.57 3.00 -0.69 -2.94 117.38 114.83 3hl1 n GLN 295 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3hl1 n GLN 295 Cb 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.29 3hl1 n GLN 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hl1 n ALA 297 N 0.47 0.00 0.18 -1.58 0.00 -1.01 -2.40 120.51 116.16 3hl1 n ALA 297 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3hl1 n ALA 297 Cb 0.32 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.10 3hl1 n ALA 297 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hl1 h LYS 298 N 0.00 0.00 -0.51 0.00 6.56 -1.81 -3.01 116.57 117.80 3hl1 h LYS 298 Ca 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 3hl1 h LYS 298 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 3hl1 h LYS 298 CO 0.00 0.43 -0.12 -0.07 -2.06 0.00 0.00 179.45 177.63 3hl1 h LEU 299 N 0.00 0.96 -0.49 2.94 3.38 -1.78 0.26 115.31 120.58 3hl1 h LEU 299 Ca -0.00 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3hl1 h LEU 299 Cb 0.83 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3hl1 h LEU 299 CO 0.06 1.08 -0.02 1.23 0.09 0.00 0.00 178.44 180.87 3hl1 h GLY 300 N 0.95 0.96 1.01 0.83 0.00 -1.87 -1.21 103.07 103.74 3hl1 h GLY 300 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3hl1 h GLY 300 CO 0.05 0.67 0.54 -1.33 0.00 0.00 0.00 176.54 176.46 3hl1 h GLY 301 N 0.75 1.18 1.01 4.60 0.00 -1.35 -1.45 103.07 107.80 3hl1 h GLY 301 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hl1 h GLY 301 CO 0.03 0.44 0.45 -0.55 0.00 0.00 0.00 176.54 176.91 3hl1 h ASP 302 N 1.13 0.80 -0.18 0.19 3.32 -0.19 -0.62 116.42 120.88 3hl1 h ASP 302 Ca 0.30 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3hl1 h ASP 302 Cb -0.11 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 3hl1 h ASP 302 CO -0.06 0.59 -0.17 0.40 -1.72 0.00 0.00 179.24 178.28 3hl1 h ILE 303 N 0.93 1.34 -0.91 0.35 2.04 -1.02 -2.67 117.51 117.57 3hl1 h ILE 303 Ca 0.25 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3hl1 h ILE 303 Cb -0.09 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3hl1 h ILE 303 CO -0.05 0.40 0.52 0.25 0.00 0.00 0.00 178.15 179.26 3hl1 h LEU 304 N 0.08 1.13 -0.88 1.44 5.85 -1.19 -2.84 115.31 118.89 3hl1 h LEU 304 Ca 0.03 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3hl1 h LEU 304 Cb 0.71 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3hl1 h LEU 304 CO 0.04 0.89 0.52 -1.28 -0.34 0.00 0.00 178.44 178.27 3hl1 h SER 305 N 1.27 1.07 0.02 1.25 0.87 -1.04 -0.79 113.55 116.20 3hl1 h SER 305 Ca 0.32 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3hl1 h SER 305 Cb 0.00 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.65 3hl1 h SER 305 CO -0.05 0.84 -0.23 0.00 -0.53 0.00 0.00 176.83 176.86 3hl1 h TRP 307 N -0.37 0.58 -0.16 0.00 -0.00 -1.32 0.17 115.95 114.86 3hl1 h TRP 307 Ca 0.06 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 58.97 3hl1 h TRP 307 Cb 0.44 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.40 3hl1 h TRP 307 CO -0.26 0.36 0.11 0.87 -0.00 0.00 0.00 178.44 179.52 3hl1 h LYS 308 N 0.62 0.17 -0.26 0.49 1.57 -1.04 -1.76 116.57 116.36 3hl1 h LYS 308 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hl1 h LYS 308 Cb -0.06 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3hl1 h LYS 308 CO -0.04 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3hl1 n LEU 309 N -4.51 2.04 -0.03 2.94 4.77 -0.60 -4.94 117.00 116.66 3hl1 n LEU 309 Ca -0.00 -0.90 -0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3hl1 n LEU 309 Cb 0.11 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3hl1 n LEU 309 CO 0.34 0.45 -0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3hl1 n GLY 310 N 1.19 0.40 3.30 -0.72 0.00 -0.66 -4.55 105.19 104.13 3hl1 n GLY 310 Ca 0.16 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 3hl1 n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl1 s ALA 311 N -2.02 2.50 0.09 4.61 0.00 -0.02 -0.89 121.76 126.04 3hl1 s ALA 311 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 3hl1 s ALA 311 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 3hl1 s ALA 311 CO 0.00 0.10 1.41 0.08 0.00 0.00 0.00 175.76 177.35 3hl1 s VAL 312 N 0.61 3.35 0.36 0.00 1.01 -0.18 -2.82 120.40 122.73 3hl1 s VAL 312 Ca -0.09 0.93 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 3hl1 s VAL 312 Cb -0.16 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3hl1 s VAL 312 CO 0.03 0.06 0.94 -2.65 0.00 0.00 0.00 175.10 173.48 3hl1 n PRO 313 N 4.27 1.24 -4.10 2.72 -0.02 -1.26 -4.82 135.00 133.03 3hl1 n PRO 313 Ca 0.12 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 3hl1 n PRO 313 Cb 0.42 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 31.90 3hl1 n PRO 313 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hl1 s ARG 314 N -1.75 0.46 0.00 -0.52 3.52 -1.26 -4.96 118.95 114.44 3hl1 s ARG 314 Ca 0.61 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3hl1 s ARG 314 Cb -0.63 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 3hl1 s ARG 314 CO 0.58 0.07 0.18 0.66 -0.81 0.00 0.00 175.30 175.98 3hl1 n TYR 315 N 2.15 0.00 -1.52 5.12 4.02 -1.26 -4.02 117.16 121.64 3hl1 n TYR 315 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3hl1 n TYR 315 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 3hl1 n TYR 315 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72