#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 4.13 -0.10 0.52 0.02 -1.26 -4.95 135.00 133.36 3hl1 s PRO 3 Ca 0.00 2.60 -0.27 0.00 0.02 0.00 0.00 61.00 63.35 3hl1 s PRO 3 Cb 0.00 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 3hl1 s PRO 3 CO 0.00 -0.78 0.87 0.08 -0.33 0.00 0.00 177.00 176.84 3hl1 s VAL 4 N 1.71 4.90 -0.10 3.83 1.01 -1.26 -4.90 120.40 125.58 3hl1 s VAL 4 Ca 0.77 1.76 -0.09 0.00 0.00 0.00 0.00 61.98 64.41 3hl1 s VAL 4 Cb -0.48 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 3hl1 s VAL 4 CO 0.33 0.10 0.21 0.26 0.00 0.00 0.00 175.10 176.01 3hl1 s TRP 5 N 1.60 3.61 0.21 5.22 0.52 -1.26 -4.67 118.94 124.17 3hl1 s TRP 5 Ca 0.43 0.64 -0.01 0.00 0.02 0.00 0.00 56.10 57.17 3hl1 s TRP 5 Cb -0.18 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 3hl1 s TRP 5 CO 0.18 0.66 0.41 0.95 0.02 0.00 0.00 176.95 179.17 3hl1 s THR 6 N -0.87 5.18 0.17 2.01 -4.23 -1.26 -4.93 115.64 111.72 3hl1 s THR 6 Ca 0.17 -0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 3hl1 s THR 6 Cb -0.13 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.04 3hl1 s THR 6 CO 0.06 -0.19 1.81 0.25 -0.54 0.00 0.00 174.62 176.01 3hl1 h LEU 7 N 1.99 0.47 -1.14 4.79 5.85 -1.99 -1.46 115.31 123.82 3hl1 h LEU 7 Ca -0.48 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3hl1 h LEU 7 Cb 1.19 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3hl1 h LEU 7 CO 0.68 0.33 0.59 -0.65 -0.34 0.00 0.00 178.44 179.04 3hl1 h PRO 8 N 0.58 1.04 -0.17 5.25 0.11 -1.99 -0.69 132.00 136.13 3hl1 h PRO 8 Ca 0.20 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 3hl1 h PRO 8 Cb 0.03 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 3hl1 h PRO 8 CO -0.10 0.69 -0.49 0.00 -0.21 0.00 0.00 178.00 177.90 3hl1 h ARG 9 N 1.07 0.45 -0.25 1.05 2.47 -1.82 0.16 114.38 117.52 3hl1 h ARG 9 Ca 0.37 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 3hl1 h ARG 9 Cb 0.10 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3hl1 h ARG 9 CO -0.12 0.84 0.10 1.25 0.56 0.00 0.00 179.97 182.60 3hl1 h LEU 10 N 0.36 0.34 -0.65 3.04 5.85 -0.76 -1.04 115.31 122.45 3hl1 h LEU 10 Ca 0.02 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hl1 h LEU 10 Cb 0.99 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3hl1 h LEU 10 CO 0.09 0.41 0.38 1.88 -0.34 0.00 0.00 178.44 180.86 3hl1 h TYR 11 N 0.25 0.70 -0.85 1.25 -1.99 -0.90 0.04 116.97 115.47 3hl1 h TYR 11 Ca 0.08 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.86 3hl1 h TYR 11 Cb 0.18 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.64 3hl1 h TYR 11 CO -0.01 0.37 0.56 1.96 -0.00 0.00 0.00 178.16 181.04 3hl1 h GLN 12 N 0.72 1.08 -0.21 4.88 4.20 -0.75 -1.29 115.11 123.74 3hl1 h GLN 12 Ca 0.28 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.76 3hl1 h GLN 12 Cb 0.11 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3hl1 h GLN 12 CO -0.15 0.71 -0.54 0.45 -0.67 0.00 0.00 178.83 178.63 3hl1 h HIS 13 N 1.11 0.79 -0.23 2.96 3.86 0.07 -0.53 115.15 123.18 3hl1 h HIS 13 Ca 0.32 -0.28 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3hl1 h HIS 13 Cb -0.05 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 3hl1 h HIS 13 CO -0.00 1.03 -0.03 0.74 0.86 0.00 0.00 177.93 180.53 3hl1 h PHE 14 N 0.48 -0.08 -0.95 2.45 0.04 -0.65 -1.01 116.94 117.22 3hl1 h PHE 14 Ca 0.01 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3hl1 h PHE 14 Cb 1.10 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 3hl1 h PHE 14 CO 0.05 -0.07 0.63 0.37 -0.60 0.00 0.00 178.31 178.69 3hl1 h GLN 15 N 0.03 1.24 -0.64 1.51 5.75 -1.09 -0.84 115.11 121.07 3hl1 h GLN 15 Ca 0.11 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 3hl1 h GLN 15 Cb 0.15 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3hl1 h GLN 15 CO -0.21 0.82 0.10 0.78 -2.65 0.00 0.00 178.83 177.67 3hl1 h GLY 16 N 1.28 1.14 0.91 2.39 0.00 -0.86 -0.20 103.07 107.73 3hl1 h GLY 16 Ca 0.35 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3hl1 h GLY 16 CO -0.08 0.71 -0.00 0.00 0.00 0.00 0.00 176.54 177.16 3hl1 h ALA 17 N 1.03 0.45 -0.35 3.60 0.00 -0.85 -1.48 119.26 121.67 3hl1 h ALA 17 Ca 0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3hl1 h ALA 17 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hl1 h ALA 17 CO 0.01 0.21 -0.18 0.97 0.00 0.00 0.00 179.25 180.27 3hl1 h ILE 18 N 0.40 1.26 -0.75 0.00 2.10 -0.97 -1.36 117.51 118.19 3hl1 h ILE 18 Ca 0.09 -1.22 -0.03 0.00 1.08 0.00 0.00 64.86 64.78 3hl1 h ILE 18 Cb 0.46 1.19 -0.03 0.00 -1.09 0.00 0.00 36.82 37.34 3hl1 h ILE 18 CO 0.02 0.40 0.34 0.44 -1.08 0.00 0.00 178.15 178.27 3hl1 h ASP 19 N 0.58 0.98 -0.16 2.19 3.32 -0.82 -0.29 116.42 122.23 3hl1 h ASP 19 Ca 0.09 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3hl1 h ASP 19 Cb 0.63 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hl1 h ASP 19 CO 0.04 0.84 -0.24 0.25 -1.72 0.00 0.00 179.24 178.41 3hl1 h LEU 20 N 1.07 0.49 -0.43 1.55 5.85 -0.97 0.24 115.31 123.10 3hl1 h LEU 20 Ca 0.26 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3hl1 h LEU 20 Cb 0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hl1 h LEU 20 CO -0.03 0.92 0.27 -0.33 -0.34 0.00 0.00 178.44 178.93 3hl1 h GLU 21 N 0.07 0.54 -0.50 1.25 4.39 -1.01 -2.38 114.58 116.94 3hl1 h GLU 21 Ca 0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3hl1 h GLU 21 Cb 0.82 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3hl1 h GLU 21 CO 0.06 0.36 0.29 1.25 -1.16 0.00 0.00 179.01 179.80 3hl1 h LEU 22 N 0.56 0.61 -1.15 1.33 5.85 -0.98 -2.72 115.31 118.81 3hl1 h LEU 22 Ca 0.16 -0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.01 3hl1 h LEU 22 Cb -0.04 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 40.74 3hl1 h LEU 22 CO -0.05 0.51 0.62 -0.25 -0.34 0.00 0.00 178.44 178.93 3hl1 h TRP 23 N 0.67 0.92 0.00 1.25 7.01 -0.43 -0.95 115.95 124.41 3hl1 h TRP 23 Ca 0.18 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 3hl1 h TRP 23 Cb 0.02 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 3hl1 h TRP 23 CO -0.02 0.19 -0.27 1.79 -2.79 0.00 0.00 178.44 177.33 3hl1 h THR 24 N 0.64 0.76 0.54 2.65 1.35 -1.18 -3.27 112.91 114.42 3hl1 h THR 24 Ca 0.57 -1.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 3hl1 h THR 24 Cb 1.05 1.72 0.01 0.00 -1.73 0.00 0.00 68.15 69.19 3hl1 h THR 24 CO -0.34 0.27 -0.26 0.40 -0.25 0.00 0.00 175.52 175.34 3hl1 h ILE 25 N 0.00 0.23 -0.48 6.82 2.04 -1.16 -0.66 117.51 124.30 3hl1 h ILE 25 Ca -0.00 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.47 3hl1 h ILE 25 Cb 0.70 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3hl1 h ILE 25 CO 0.04 0.04 0.32 -0.65 0.00 0.00 0.00 178.15 177.89 3hl1 h PRO 26 N -1.08 0.43 0.54 2.37 0.11 -1.70 0.72 132.00 133.38 3hl1 h PRO 26 Ca -0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 3hl1 h PRO 26 Cb 0.62 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3hl1 h PRO 26 CO 0.12 0.28 -0.34 -0.92 -0.21 0.00 0.00 178.00 176.93 3hl1 h TYR 27 N 0.44 -0.91 -0.65 0.65 5.03 -1.57 -0.61 116.97 119.35 3hl1 h TYR 27 Ca 0.20 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.43 3hl1 h TYR 27 Cb 0.25 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 3hl1 h TYR 27 CO -0.00 -0.52 0.09 1.88 -1.32 0.00 0.00 178.16 178.29 3hl1 h TYR 28 N -0.84 1.16 -0.66 -3.82 -1.99 -0.96 -2.80 116.97 107.04 3hl1 h TYR 28 Ca -0.06 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.46 3hl1 h TYR 28 Cb 0.69 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 3hl1 h TYR 28 CO -0.11 0.98 0.28 -0.07 -0.00 0.00 0.00 178.16 179.24 3hl1 h LEU 29 N 1.00 0.90 -0.42 3.88 3.38 -0.79 0.45 115.31 123.72 3hl1 h LEU 29 Ca 0.20 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hl1 h LEU 29 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hl1 h LEU 29 CO 0.02 0.82 0.27 0.74 0.09 0.00 0.00 178.44 180.37 3hl1 h THR 30 N 0.93 1.09 -0.04 0.22 2.02 -1.04 -1.07 112.91 115.02 3hl1 h THR 30 Ca 0.22 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3hl1 h THR 30 Cb 0.19 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3hl1 h THR 30 CO -0.02 0.10 0.02 0.58 0.37 0.00 0.00 175.52 176.57 3hl1 h VAL 31 N 0.55 1.08 -0.07 3.16 2.07 -1.34 -2.92 116.25 118.77 3hl1 h VAL 31 Ca 0.16 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hl1 h VAL 31 Cb -0.04 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3hl1 h VAL 31 CO -0.05 0.07 -0.44 0.25 0.02 0.00 0.00 177.57 177.42 3hl1 h LEU 32 N -0.03 -1.36 -0.24 2.57 5.85 -0.57 -2.44 115.31 119.08 3hl1 h LEU 32 Ca 0.01 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hl1 h LEU 32 Cb 0.09 0.54 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3hl1 h LEU 32 CO -0.00 -0.45 0.00 -1.22 -0.34 0.00 0.00 178.44 176.43 3hl1 n TYR 33 N -5.44 0.46 0.27 1.25 4.01 -0.43 -1.97 117.16 115.30 3hl1 n TYR 33 Ca -0.05 0.16 0.14 0.00 -0.16 0.00 0.00 57.90 57.99 3hl1 n TYR 33 Cb 0.37 -0.76 0.73 0.00 -0.31 0.00 0.00 39.34 39.37 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 -3.19 7.72 4.64 -1.23 -3.43 113.55 118.06 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 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.46 3hl1 h SER 34 CO 0.00 0.11 0.84 -0.63 -0.87 0.00 0.00 176.83 176.28 3hl1 s ILE 35 N -4.02 4.53 0.15 0.95 1.01 -0.83 -0.36 121.20 122.64 3hl1 s ILE 35 Ca -0.02 1.81 -0.13 0.00 0.00 0.00 0.00 60.65 62.31 3hl1 s ILE 35 Cb 0.12 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 38.29 3hl1 s ILE 35 CO 0.57 -0.35 1.68 0.11 0.00 0.00 0.00 174.94 176.95 3hl1 h LYS 36 N 7.93 0.80 -4.55 2.79 1.57 -1.56 -3.40 116.57 120.17 3hl1 h LYS 36 Ca -0.21 -0.18 -0.72 0.00 -1.87 0.00 0.00 60.65 57.68 3hl1 h LYS 36 Cb 1.07 -0.11 -0.21 0.00 0.08 0.00 0.00 32.23 33.05 3hl1 h LYS 36 CO 1.01 0.75 -0.22 0.34 -0.57 0.00 0.00 179.45 180.76 3hl1 s ASP 37 N -6.11 6.17 0.15 0.86 2.15 -1.26 -4.95 116.67 113.68 3hl1 s ASP 37 Ca -0.13 -1.12 0.18 0.00 0.43 0.00 0.00 52.55 51.91 3hl1 s ASP 37 Cb 0.12 -2.21 0.80 0.00 -0.30 0.00 0.00 42.92 41.32 3hl1 s ASP 37 CO 0.79 -0.69 1.57 -2.65 -0.17 0.00 0.00 175.17 174.02 3hl1 n PRO 38 N 5.50 0.11 0.00 4.34 -0.02 -1.26 -2.20 135.00 141.46 3hl1 n PRO 38 Ca -0.10 0.39 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3hl1 n PRO 38 Cb 0.45 -1.72 0.64 0.00 -0.02 0.00 0.00 33.50 32.84 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 -1.92 0.00 -1.71 3.45 -2.24 -1.26 -4.42 114.28 106.18 3hl1 n THR 39 Ca 0.02 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3hl1 n THR 39 Cb 0.17 -0.27 0.04 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 -2.62 3.83 0.19 4.28 -4.23 -0.94 -4.88 115.64 111.26 3hl1 s THR 40 Ca 0.25 0.70 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3hl1 s THR 40 Cb 0.20 -3.32 0.10 0.00 1.34 0.00 0.00 72.50 70.82 3hl1 s THR 40 CO 0.49 -0.67 1.84 0.58 -0.54 0.00 0.00 174.62 176.33 3hl1 h VAL 41 N -0.33 1.16 -0.09 2.29 2.07 -1.91 -2.31 116.25 117.14 3hl1 h VAL 41 Ca -0.45 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3hl1 h VAL 41 Cb 1.22 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3hl1 h VAL 41 CO 0.56 0.16 -0.37 -0.65 0.02 0.00 0.00 177.57 177.29 3hl1 h PRO 42 N 0.83 0.18 -0.09 1.57 0.11 -1.95 -0.66 132.00 131.99 3hl1 h PRO 42 Ca 0.22 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3hl1 h PRO 42 Cb -0.07 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3hl1 h PRO 42 CO -0.05 0.53 0.04 -0.92 -0.21 0.00 0.00 178.00 177.40 3hl1 h TYR 43 N 0.16 0.12 -0.66 0.65 5.03 -1.79 -1.29 116.97 119.19 3hl1 h TYR 43 Ca 0.02 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 3hl1 h TYR 43 Cb 0.73 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.95 3hl1 h TYR 43 CO 0.01 0.18 0.28 0.00 -1.32 0.00 0.00 178.16 177.32 3hl1 h ARG 44 N 0.03 0.98 -0.37 1.82 3.08 -1.07 -1.25 114.38 117.61 3hl1 h ARG 44 Ca 0.03 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3hl1 h ARG 44 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hl1 h ARG 44 CO -0.00 0.81 0.20 -0.07 -1.07 0.00 0.00 179.97 179.83 3hl1 h LEU 45 N 0.93 0.47 -0.35 3.04 3.38 -1.03 -2.67 115.31 119.07 3hl1 h LEU 45 Ca 0.22 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3hl1 h LEU 45 Cb 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hl1 h LEU 45 CO -0.02 0.43 -0.18 0.40 0.09 0.00 0.00 178.44 179.15 3hl1 h ILE 46 N 0.47 1.29 -0.40 1.22 2.04 -1.05 -2.79 117.51 118.28 3hl1 h ILE 46 Ca 0.13 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 64.74 3hl1 h ILE 46 Cb 0.07 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3hl1 h ILE 46 CO -0.02 0.43 0.09 -0.61 0.00 0.00 0.00 178.15 178.04 3hl1 h GLN 47 N 0.53 0.21 -0.76 2.37 4.15 -1.21 0.26 115.11 120.66 3hl1 h GLN 47 Ca 0.08 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 3hl1 h GLN 47 Cb 0.73 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 3hl1 h GLN 47 CO 0.05 0.14 0.28 0.00 -1.93 0.00 0.00 178.83 177.38 3hl1 h ALA 48 N 1.30 1.06 -0.69 3.38 0.00 -1.47 -2.34 119.26 120.49 3hl1 h ALA 48 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hl1 h ALA 48 Cb 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hl1 h ALA 48 CO -0.25 0.65 0.32 0.00 0.00 0.00 0.00 179.25 179.97 3hl1 h ALA 49 N 1.19 0.90 -0.10 0.00 0.00 -1.11 -1.60 119.26 118.53 3hl1 h ALA 49 Ca 0.25 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3hl1 h ALA 49 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hl1 h ALA 49 CO -0.02 0.48 -0.55 -0.24 0.00 0.00 0.00 179.25 178.92 3hl1 h VAL 50 N 0.97 1.36 -0.78 0.00 3.04 -0.63 -0.26 116.25 119.96 3hl1 h VAL 50 Ca 0.24 -1.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.05 3hl1 h VAL 50 Cb 0.15 1.89 -0.04 0.00 -2.01 0.00 0.00 31.29 31.28 3hl1 h VAL 50 CO -0.03 0.55 0.39 1.88 -1.01 0.00 0.00 177.57 179.36 3hl1 h TYR 51 N 0.24 1.09 -0.39 3.17 0.05 -1.16 -2.15 116.97 117.82 3hl1 h TYR 51 Ca 0.00 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 3hl1 h TYR 51 Cb 1.05 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 3hl1 h TYR 51 CO 0.03 0.78 -0.10 1.96 -1.05 0.00 0.00 178.16 179.78 3hl1 h GLN 52 N 1.10 0.68 -1.15 4.88 4.20 -0.71 -2.37 115.11 121.74 3hl1 h GLN 52 Ca 0.27 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hl1 h GLN 52 Cb 0.08 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hl1 h GLN 52 CO -0.04 0.77 0.00 0.39 -0.67 0.00 0.00 178.83 179.28 3hl1 n GLU 53 N -4.18 0.11 0.00 1.46 -0.58 -0.16 -0.79 120.64 116.50 3hl1 n GLU 53 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3hl1 n GLU 53 Cb 0.34 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.74 0.00 -0.21 -4.62 7.94 -0.89 -1.44 117.00 118.51 3hl1 n LEU 55 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3hl1 n LEU 55 Cb 0.04 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.05 3hl1 n LEU 55 CO 0.00 0.00 1.10 0.45 -1.11 0.00 0.00 177.39 177.83 3hl1 h HIS 56 N 0.00 0.68 -0.24 1.96 3.86 -1.25 -0.67 115.15 119.49 3hl1 h HIS 56 Ca 0.00 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 3hl1 h HIS 56 Cb 0.00 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 3hl1 h HIS 56 CO 0.00 0.39 -0.02 0.00 0.86 0.00 0.00 177.93 179.15 3hl1 h ALA 57 N 1.27 0.19 -0.75 2.45 0.00 -1.52 -0.39 119.26 120.51 3hl1 h ALA 57 Ca 0.25 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.31 3hl1 h ALA 57 Cb 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3hl1 h ALA 57 CO -0.11 -0.44 0.42 0.37 0.00 0.00 0.00 179.25 179.49 3hl1 h GLN 58 N 0.05 0.73 -0.47 0.00 4.15 -1.70 -1.23 115.11 116.63 3hl1 h GLN 58 Ca 0.12 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 3hl1 h GLN 58 Cb 0.16 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3hl1 h GLN 58 CO -0.21 0.48 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.04 3hl1 h LEU 59 N 0.75 0.87 -0.37 -2.39 3.38 -0.63 -0.49 115.31 116.43 3hl1 h LEU 59 Ca 0.35 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hl1 h LEU 59 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hl1 h LEU 59 CO -0.21 1.00 0.20 0.58 0.09 0.00 0.00 178.44 180.10 3hl1 h VAL 60 N 0.72 1.15 -0.69 1.22 2.07 -0.89 -0.12 116.25 119.71 3hl1 h VAL 60 Ca 0.13 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3hl1 h VAL 60 Cb 0.59 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3hl1 h VAL 60 CO 0.04 0.16 0.36 -1.28 0.02 0.00 0.00 177.57 176.87 3hl1 h SER 61 N 0.47 0.51 -0.60 0.57 0.87 -0.90 0.19 113.55 114.65 3hl1 h SER 61 Ca 0.13 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3hl1 h SER 61 Cb 0.07 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3hl1 h SER 61 CO -0.02 0.31 0.23 0.78 -0.53 0.00 0.00 176.83 177.60 3hl1 h ASN 62 N 0.64 0.84 0.09 6.23 2.35 -0.70 0.15 115.58 125.20 3hl1 h ASN 62 Ca 0.33 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3hl1 h ASN 62 Cb 0.29 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3hl1 h ASN 62 CO -0.23 0.80 -0.04 0.40 -1.65 0.00 0.00 177.43 176.70 3hl1 h ILE 63 N 0.84 1.06 -0.31 2.81 2.04 -0.61 -1.74 117.51 121.59 3hl1 h ILE 63 Ca 0.20 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3hl1 h ILE 63 Cb 0.23 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3hl1 h ILE 63 CO -0.01 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.38 3hl1 h ALA 64 N 0.51 0.35 -0.81 1.87 0.00 -0.85 -2.59 119.26 117.74 3hl1 h ALA 64 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hl1 h ALA 64 Cb 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3hl1 h ALA 64 CO 0.02 -0.29 0.49 -0.91 0.00 0.00 0.00 179.25 178.56 3hl1 h ASN 65 N 0.25 0.96 -0.62 0.00 2.35 -0.14 -0.51 115.58 117.86 3hl1 h ASN 65 Ca 0.14 -0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3hl1 h ASN 65 Cb 0.10 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3hl1 h ASN 65 CO -0.14 0.74 0.41 0.00 -1.65 0.00 0.00 177.43 176.79 3hl1 h ALA 66 N 1.43 1.78 -0.02 -0.83 0.00 -0.94 -1.13 119.26 119.55 3hl1 h ALA 66 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hl1 h ALA 66 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hl1 h ALA 66 CO -0.05 0.12 0.00 0.66 0.00 0.00 0.00 179.25 179.98 3hl1 n TYR 67 N -4.47 0.01 -0.07 0.00 4.02 -0.72 -0.97 117.16 114.96 3hl1 n TYR 67 Ca 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3hl1 n TYR 67 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.07 0.89 3.29 2.72 0.00 -0.43 -4.85 105.19 107.88 3hl1 n GLY 68 Ca 0.21 0.00 -0.35 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 -2.03 2.93 -0.36 1.61 5.04 -0.28 -4.95 117.35 119.30 3hl1 s TYR 69 Ca 0.00 -1.01 -0.20 0.00 -2.44 0.00 0.00 57.07 53.42 3hl1 s TYR 69 Cb 0.00 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.25 3hl1 s TYR 69 CO 0.00 -0.56 0.61 -1.12 -1.34 0.00 0.00 175.55 173.14 3hl1 s SER 70 N 1.37 6.39 0.77 4.32 0.01 -1.26 -2.10 113.70 123.20 3hl1 s SER 70 Ca 0.05 0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.25 3hl1 s SER 70 Cb -0.14 -2.31 0.06 0.00 0.21 0.00 0.00 66.02 63.83 3hl1 s SER 70 CO -0.04 -0.58 1.09 -2.84 0.41 0.00 0.00 173.24 171.28 3hl1 s PRO 71 N 2.64 2.28 0.03 12.44 0.02 -1.26 -4.96 135.00 146.18 3hl1 s PRO 71 Ca 0.23 1.16 0.06 0.00 0.02 0.00 0.00 61.00 62.47 3hl1 s PRO 71 Cb -0.15 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3hl1 s PRO 71 CO 0.15 -1.63 -0.19 0.95 -0.33 0.00 0.00 177.00 175.95 3hl1 s THR 72 N -2.91 1.50 -0.05 0.99 -4.23 -1.26 -4.74 115.64 104.95 3hl1 s THR 72 Ca 0.61 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.10 3hl1 s THR 72 Cb -0.17 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 3hl1 s THR 72 CO 0.56 0.22 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.98 3hl1 s LEU 73 N -0.97 2.84 0.20 4.79 1.43 -1.26 -4.96 118.68 120.75 3hl1 s LEU 73 Ca 0.06 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3hl1 s LEU 73 Cb -0.08 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3hl1 s LEU 73 CO 0.01 0.35 -0.01 -0.94 0.23 0.00 0.00 176.35 175.99 3hl1 s SER 74 N -0.79 1.56 0.15 2.29 1.04 -1.26 -4.89 113.70 111.80 3hl1 s SER 74 Ca 0.12 -1.19 -0.31 0.00 0.48 0.00 0.00 55.95 55.04 3hl1 s SER 74 Cb -0.11 0.06 -0.10 0.00 0.10 0.00 0.00 66.02 65.97 3hl1 s SER 74 CO 0.01 -0.53 1.70 0.00 0.98 0.00 0.00 173.24 175.40 3hl1 s ALA 75 N -3.52 3.80 0.83 5.32 0.00 -1.26 -4.98 121.76 121.96 3hl1 s ALA 75 Ca 0.26 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.53 3hl1 s ALA 75 Cb 0.06 -3.70 0.09 0.00 0.00 0.00 0.00 23.12 19.57 3hl1 s ALA 75 CO 0.06 -1.00 1.09 -2.14 0.00 0.00 0.00 175.76 173.77 3hl1 s PRO 76 N 1.87 1.79 0.14 0.00 0.02 -1.26 -5.04 135.00 132.51 3hl1 s PRO 76 Ca 0.75 0.85 0.10 0.00 0.02 0.00 0.00 61.00 62.72 3hl1 s PRO 76 Cb -0.45 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 3hl1 s PRO 76 CO 0.33 -1.88 -0.22 -1.21 -0.33 0.00 0.00 177.00 173.69 3hl1 s GLU 77 N -5.00 1.61 -0.45 5.54 2.02 -1.26 -4.77 118.70 116.39 3hl1 s GLU 77 Ca 0.62 -1.30 0.03 0.00 0.02 0.00 0.00 54.97 54.33 3hl1 s GLU 77 Cb -0.17 -1.99 0.15 0.00 0.10 0.00 0.00 34.13 32.22 3hl1 s GLU 77 CO 0.56 0.45 0.29 0.71 0.02 0.00 0.00 175.26 177.30 3hl1 s TYR 78 N -1.21 1.76 -0.01 1.61 2.02 -1.26 -5.02 117.35 115.24 3hl1 s TYR 78 Ca 0.17 -2.38 0.00 0.00 -0.37 0.00 0.00 57.07 54.49 3hl1 s TYR 78 Cb -0.10 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3hl1 s TYR 78 CO 0.09 -0.77 0.01 0.08 -1.57 0.00 0.00 175.55 173.39 3hl1 s VAL 79 N 0.16 -0.03 0.00 0.71 1.01 -1.25 -4.30 120.40 116.70 3hl1 s VAL 79 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3hl1 s VAL 79 Cb -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.19 3hl1 s VAL 79 CO -0.07 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3hl1 n GLY 80 N 3.60 3.62 0.33 4.51 0.00 -1.26 -2.63 105.19 113.36 3hl1 n GLY 80 Ca -0.19 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 1.75 -2.71 2.61 -2.24 -1.26 0.00 114.28 112.43 3hl1 n THR 81 Ca 0.00 -2.32 -0.43 0.00 -2.27 0.00 0.00 64.05 59.03 3hl1 n THR 81 Cb 0.00 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.62 3.26 -0.20 6.98 0.00 -1.08 -4.72 121.76 123.39 3hl1 s ALA 82 Ca 0.31 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 3hl1 s ALA 82 Cb 0.29 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3hl1 s ALA 82 CO -0.01 -1.99 0.05 0.08 0.00 0.00 0.00 175.76 173.88 3hl1 s VAL 83 N 3.98 4.50 -0.19 0.00 1.01 -1.26 -4.69 120.40 123.75 3hl1 s VAL 83 Ca 0.43 -0.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.92 3hl1 s VAL 83 Cb -0.09 -3.04 -0.13 0.00 0.00 0.00 0.00 36.38 33.12 3hl1 s VAL 83 CO 0.26 0.43 1.90 -2.65 0.00 0.00 0.00 175.10 175.04 3hl1 n PRO 84 N 3.94 1.73 -1.05 2.72 -0.02 -1.26 -2.75 135.00 138.32 3hl1 n PRO 84 Ca -0.17 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 61.91 3hl1 n PRO 84 Cb 0.52 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 6.93 0.00 -4.70 6.00 8.25 -1.26 -4.80 115.22 125.64 3hl1 n HIS 85 Ca 0.27 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.41 3hl1 n HIS 85 Cb 0.24 -0.77 -0.17 0.00 1.12 0.00 0.00 29.99 30.42 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 -1.86 1.92 -0.28 1.59 -1.09 -1.11 -0.84 121.20 119.53 3hl1 s ILE 86 Ca 0.00 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.54 3hl1 s ILE 86 Cb 0.00 -1.70 0.08 0.00 -1.58 0.00 0.00 42.46 39.25 3hl1 s ILE 86 CO 0.00 0.52 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.60 3hl1 s ASP 87 N 0.78 4.25 0.36 3.58 2.15 0.27 -4.64 116.67 123.43 3hl1 s ASP 87 Ca -0.09 -1.57 0.27 0.00 0.43 0.00 0.00 52.55 51.59 3hl1 s ASP 87 Cb -0.16 -1.33 1.08 0.00 -0.30 0.00 0.00 42.92 42.21 3hl1 s ASP 87 CO -0.00 -0.30 1.81 -0.26 -0.17 0.00 0.00 175.17 176.25 3hl1 h PHE 88 N 7.84 0.00 0.00 -5.34 0.04 -1.86 -1.94 116.94 115.69 3hl1 h PHE 88 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 3hl1 h PHE 88 Cb 1.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 3hl1 h PHE 88 CO 0.49 0.00 0.00 -0.44 -0.60 0.00 0.00 178.31 177.76 3hl1 h ASP 89 N 0.00 0.00 1.27 2.17 3.32 -1.95 -1.20 116.42 120.03 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 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 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 0.00-10.00 1.55 3.38 -1.71 -3.46 115.31 105.06 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 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hl1 h LEU 90 CO 0.00 0.00 -0.43 -1.81 0.09 0.00 0.00 178.44 176.29 3hl1 s ASP 91 N -4.96 6.37 -0.13 -0.43 1.01 -0.46 -4.89 116.67 113.18 3hl1 s ASP 91 Ca 0.06 0.29 -0.02 0.00 0.71 0.00 0.00 52.55 53.60 3hl1 s ASP 91 Cb 0.09 -1.96 0.04 0.00 1.01 0.00 0.00 42.92 42.10 3hl1 s ASP 91 CO 0.54 0.06 -0.01 0.42 0.21 0.00 0.00 175.17 176.40 3hl1 s THR 92 N -1.70 0.62 0.71 -1.27 -4.23 -0.72 -2.48 115.64 106.57 3hl1 s THR 92 Ca 0.36 -0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 3hl1 s THR 92 Cb -0.12 -0.88 0.03 0.00 1.34 0.00 0.00 72.50 72.87 3hl1 s THR 92 CO 0.28 0.10 1.10 -2.16 -0.54 0.00 0.00 174.62 173.41 3hl1 s PRO 93 N 1.85 2.54 -0.08 3.99 0.04 -1.26 -4.20 135.00 137.88 3hl1 s PRO 93 Ca 0.02 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 3hl1 s PRO 93 Cb -0.14 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3hl1 s PRO 93 CO -0.07 -1.44 1.81 1.21 0.04 0.00 0.00 177.00 178.55 3hl1 s ASN 94 N -2.93 6.40 0.16 6.66 3.84 -1.04 -4.86 114.94 123.18 3hl1 s ASN 94 Ca 0.65 2.22 0.20 0.00 0.21 0.00 0.00 52.86 56.13 3hl1 s ASN 94 Cb -0.19 -2.53 0.84 0.00 -0.55 0.00 0.00 41.25 38.81 3hl1 s ASN 94 CO 0.48 -1.15 1.61 -0.81 -2.79 0.00 0.00 177.10 174.44 3hl1 n PRO 95 N 7.55 0.12 0.06 0.43 -0.04 -1.26 -1.48 135.00 140.38 3hl1 n PRO 95 Ca 0.20 0.37 0.08 0.00 -0.04 0.00 0.00 63.50 64.11 3hl1 n PRO 95 Cb 0.43 -1.73 0.36 0.00 -0.04 0.00 0.00 33.50 32.52 3hl1 n PRO 95 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hl1 n THR 96 N -1.96 1.07 0.45 0.52 -2.24 -1.26 -1.30 114.28 109.56 3hl1 n THR 96 Ca 0.02 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 3hl1 n THR 96 Cb 0.20 -1.19 0.31 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.00 0.00 3.42 0.02 -1.65 -3.36 113.55 111.98 3hl1 h SER 97 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3hl1 h SER 97 Cb 0.24 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 3hl1 h SER 97 CO 0.00 0.00 -2.19 -0.38 -1.14 0.00 0.00 176.83 173.12 3hl1 n ILE 98 N -2.62 1.53 -2.86 3.27 5.41 -0.51 -4.72 119.36 118.87 3hl1 n ILE 98 Ca 0.05 -0.28 -0.43 0.00 1.00 0.00 0.00 62.75 63.08 3hl1 n ILE 98 Cb 0.47 -1.94 0.01 0.00 -0.71 0.00 0.00 39.64 37.46 3hl1 n ILE 98 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3hl1 n PHE 99 N -4.30 3.33 -4.19 1.39 3.72 -0.42 -4.94 117.46 112.05 3hl1 n PHE 99 Ca -0.48 -2.97 -0.16 0.00 -0.05 0.00 0.00 57.45 53.79 3hl1 n PHE 99 Cb 0.82 -1.66 -0.14 0.00 -0.94 0.00 0.00 39.48 37.56 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 -1.03 0.46 0.78 4.37 -1.32 -1.26 -4.26 115.64 113.38 3hl1 s THR 100 Ca 0.35 -0.26 -0.11 0.00 -1.21 0.00 0.00 61.69 60.46 3hl1 s THR 100 Cb 0.03 -0.39 0.06 0.00 -1.51 0.00 0.00 72.50 70.68 3hl1 s THR 100 CO 0.03 0.13 1.08 -2.16 -2.21 0.00 0.00 174.62 171.49 3hl1 s PRO 101 N -0.15 2.25 0.12 7.08 0.04 -1.26 -5.04 135.00 138.04 3hl1 s PRO 101 Ca 0.02 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 3hl1 s PRO 101 Cb -0.02 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.63 3hl1 s PRO 101 CO -0.00 -1.61 0.34 1.52 0.04 0.00 0.00 177.00 177.30 3hl1 s TYR 102 N -2.96 -0.05 -0.19 0.56 1.13 -1.26 -4.18 117.35 110.40 3hl1 s TYR 102 Ca 0.61 -0.31 -0.28 0.00 -1.41 0.00 0.00 57.07 55.69 3hl1 s TYR 102 Cb -0.16 0.16 0.09 0.00 -1.10 0.00 0.00 41.96 40.94 3hl1 s TYR 102 CO 0.56 -0.68 0.81 0.45 -2.51 0.00 0.00 175.55 174.18 3hl1 s SER 103 N -2.84 -0.61 0.00 -0.18 0.15 -1.26 -4.96 113.70 104.01 3hl1 s SER 103 Ca 0.05 0.97 0.30 0.00 0.70 0.00 0.00 55.95 57.97 3hl1 s SER 103 Cb 0.03 0.91 1.45 0.00 -1.71 0.00 0.00 66.02 66.70 3hl1 s SER 103 CO -0.10 -0.35 2.00 0.00 1.20 0.00 0.00 173.24 175.99 3hl1 n ALA 104 N 1.79 2.64 -1.78 5.45 0.00 0.10 -4.85 120.51 123.86 3hl1 n ALA 104 Ca -0.15 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 3hl1 n ALA 104 Cb 0.56 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.42 4.41 0.46 0.00 2.02 -1.24 -3.91 118.70 118.02 3hl1 s GLU 105 Ca 0.32 1.51 -0.22 0.00 0.02 0.00 0.00 54.97 56.59 3hl1 s GLU 105 Cb 0.20 -2.77 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 3hl1 s GLU 105 CO 0.45 0.08 1.13 -0.51 0.02 0.00 0.00 175.26 176.43 3hl1 s LEU 106 N -2.19 3.98 0.00 1.80 1.43 -1.26 -4.98 118.68 117.46 3hl1 s LEU 106 Ca 0.52 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.72 3hl1 s LEU 106 Cb -0.23 -4.31 0.04 0.00 0.03 0.00 0.00 46.19 41.72 3hl1 s LEU 106 CO 0.29 -0.88 0.53 0.61 0.23 0.00 0.00 176.35 177.13 3hl1 n GLY 107 N 0.33 0.82 2.21 -3.19 0.00 -1.26 -5.05 105.19 99.04 3hl1 n GLY 107 Ca 0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.38 -0.37 -1.96 1.61 -0.04 -1.26 -3.50 135.00 129.09 3hl1 n PRO 108 Ca -0.00 -1.32 -0.24 0.00 -0.04 0.00 0.00 63.50 61.90 3hl1 n PRO 108 Cb 0.28 -0.62 -0.05 0.00 -0.04 0.00 0.00 33.50 33.06 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 3.10 0.32 1.53 2.96 -1.26 -4.59 118.68 120.75 3hl1 s LEU 109 Ca 0.41 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3hl1 s LEU 109 Cb -0.02 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3hl1 s LEU 109 CO 0.28 -2.97 0.13 1.51 -1.32 0.00 0.00 176.35 173.98 3hl1 s ASP 110 N 8.50 1.81 0.21 3.68 1.47 -1.26 -4.95 116.67 126.13 3hl1 s ASP 110 Ca 0.74 -1.52 -0.09 0.00 1.18 0.00 0.00 52.55 52.86 3hl1 s ASP 110 Cb -0.08 0.30 0.30 0.00 -0.34 0.00 0.00 42.92 43.10 3hl1 s ASP 110 CO 0.01 -0.83 1.76 0.25 0.68 0.00 0.00 175.17 177.04 3hl1 h LEU 111 N 2.16 0.31 -0.53 2.11 5.85 -1.95 -0.59 115.31 122.66 3hl1 h LEU 111 Ca -0.36 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.50 3hl1 h LEU 111 Cb 1.25 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 3hl1 h LEU 111 CO 0.57 0.18 0.21 0.74 -0.34 0.00 0.00 178.44 179.79 3hl1 h THR 112 N 0.47 0.84 -0.15 1.05 2.02 -1.94 0.26 112.91 115.46 3hl1 h THR 112 Ca 0.32 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 67.24 3hl1 h THR 112 Cb 0.37 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3hl1 h THR 112 CO -0.29 0.07 -0.41 0.03 0.37 0.00 0.00 175.52 175.30 3hl1 h ARG 113 N 0.40 0.54 -0.63 6.66 -0.00 -1.66 -2.55 114.38 117.14 3hl1 h ARG 113 Ca 0.25 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.98 59.27 3hl1 h ARG 113 Cb 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.27 3hl1 h ARG 113 CO -0.24 1.00 0.08 0.28 0.00 0.00 0.00 179.97 181.09 3hl1 h VAL 114 N 0.17 1.26 -0.43 2.04 2.07 -0.91 -2.85 116.25 117.61 3hl1 h VAL 114 Ca -0.01 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3hl1 h VAL 114 Cb 1.02 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3hl1 h VAL 114 CO 0.09 0.39 0.15 0.78 0.02 0.00 0.00 177.57 179.00 3hl1 h ASN 115 N 0.97 0.16 0.00 0.57 2.35 -0.53 -1.59 115.58 117.50 3hl1 h ASN 115 Ca 0.19 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3hl1 h ASN 115 Cb 0.46 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3hl1 h ASN 115 CO 0.02 0.12 0.00 0.41 -1.65 0.00 0.00 177.43 176.33 3hl1 n THR 116 N -5.01 0.00 0.00 2.81 -1.04 -0.96 -1.08 114.28 109.00 3hl1 n THR 116 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3hl1 n THR 116 Cb 0.16 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.45 -0.70 0.00 3.38 -1.38 -1.60 115.31 115.47 3hl1 h LEU 119 Ca 0.00 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hl1 h LEU 119 Cb 0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3hl1 h LEU 119 CO 0.00 0.43 0.41 0.40 0.09 0.00 0.00 178.44 179.77 3hl1 h ILE 120 N 0.44 1.00 -0.46 1.22 2.04 -1.30 -2.04 117.51 118.41 3hl1 h ILE 120 Ca 0.12 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3hl1 h ILE 120 Cb 0.09 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3hl1 h ILE 120 CO -0.02 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.65 3hl1 n GLU 121 N -4.74 2.52 -1.67 2.37 -0.58 -1.14 -4.52 120.64 112.87 3hl1 n GLU 121 Ca 0.09 -1.85 -0.47 0.00 -0.42 0.00 0.00 57.16 54.50 3hl1 n GLU 121 Cb 0.16 -1.55 -0.04 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 2.28 -2.27 -0.32 9.36 -0.61 -4.45 117.16 121.95 3hl1 n TYR 122 Ca 0.17 0.18 -0.41 0.00 3.32 0.00 0.00 57.90 61.16 3hl1 n TYR 122 Cb 0.54 -2.58 -0.03 0.00 -0.63 0.00 0.00 39.34 36.63 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 2.06 4.47 0.31 2.98 0.02 -1.26 -4.47 135.00 139.11 3hl1 s PRO 123 Ca 0.84 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.92 3hl1 s PRO 123 Cb -0.69 -3.13 0.60 0.00 0.02 0.00 0.00 34.50 31.29 3hl1 s PRO 123 CO 0.43 -0.04 1.89 1.49 -0.33 0.00 0.00 177.00 180.44 3hl1 h GLU 124 N 3.83 0.92 0.00 5.54 4.81 -1.95 -2.29 114.58 125.45 3hl1 h GLU 124 Ca -0.47 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3hl1 h GLU 124 Cb 1.22 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 3hl1 h GLU 124 CO 0.68 0.61 -0.08 0.11 -0.73 0.00 0.00 179.01 179.60 3hl1 h TRP 125 N 0.95 0.00 0.00 0.92 5.08 -1.96 -1.93 115.95 119.01 3hl1 h TRP 125 Ca 0.42 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.39 3hl1 h TRP 125 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 3hl1 h TRP 125 CO -0.00 0.08 0.00 0.00 -1.28 0.00 0.00 178.44 177.24 3hl1 h ARG 126 N 0.00 0.00 0.00 0.12 3.08 -1.80 -3.28 114.38 112.50 3hl1 h ARG 126 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hl1 h ARG 126 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hl1 h ARG 126 CO 0.01 0.00 -0.07 1.79 -1.07 0.00 0.00 179.97 180.63 3hl1 h THR 127 N 0.00 0.22 -6.26 2.04 1.35 -1.40 -3.42 112.91 105.44 3hl1 h THR 127 Ca 0.00 -0.62 -0.45 0.00 -0.55 0.00 0.00 66.41 64.79 3hl1 h THR 127 Cb 0.72 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3hl1 h THR 127 CO 0.00 0.07 -0.84 0.00 -0.25 0.00 0.00 175.52 174.50 3hl1 n GLN 128 N -3.24 -4.38 -4.07 4.72 6.02 -1.24 -1.76 117.38 113.42 3hl1 n GLN 128 Ca -0.00 0.54 -0.13 0.00 -0.01 0.00 0.00 57.00 57.39 3hl1 n GLN 128 Cb 0.31 -4.99 -0.12 0.00 1.02 0.00 0.00 30.24 26.46 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 -6.26 0.53 0.04 -1.09 1.70 -1.26 -4.71 118.95 107.90 3hl1 s ARG 129 Ca 0.09 -0.71 -0.31 0.00 -0.47 0.00 0.00 55.73 54.33 3hl1 s ARG 129 Cb -0.04 -0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 33.96 3hl1 s ARG 129 CO 0.84 0.06 1.35 -1.21 -1.08 0.00 0.00 175.30 175.26 3hl1 s GLU 130 N -1.46 4.33 0.26 3.89 0.41 -1.26 -4.98 118.70 119.89 3hl1 s GLU 130 Ca -0.09 1.94 -0.31 0.00 -0.41 0.00 0.00 54.97 56.11 3hl1 s GLU 130 Cb -0.09 -3.43 -0.13 0.00 -1.78 0.00 0.00 34.13 28.70 3hl1 s GLU 130 CO 0.00 -0.46 1.51 -2.30 -0.49 0.00 0.00 175.26 173.52 3hl1 n PRO 131 N 4.65 2.36 -2.94 0.39 -0.02 -1.26 -4.92 135.00 133.27 3hl1 n PRO 131 Ca 0.12 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 3hl1 n PRO 131 Cb 0.44 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.43 6.41 0.00 2.55 -1.08 -1.26 -4.91 116.67 118.80 3hl1 s ASP 132 Ca 0.67 -0.13 0.23 0.00 -0.52 0.00 0.00 52.55 52.80 3hl1 s ASP 132 Cb -0.58 -2.40 0.55 0.00 -1.46 0.00 0.00 42.92 39.04 3hl1 s ASP 132 CO 0.48 -0.97 1.46 0.18 0.52 0.00 0.00 175.17 176.85 3hl1 n LEU 133 N 6.84 2.61 -4.77 -1.34 4.77 -1.26 -4.78 117.00 119.07 3hl1 n LEU 133 Ca 0.02 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 3hl1 n LEU 133 Cb 0.48 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3hl1 n LEU 133 CO 0.60 0.53 0.96 0.00 -1.33 0.00 0.00 177.39 178.15 3hl1 s ALA 134 N -1.70 3.49 -1.48 -1.18 0.00 -1.26 -4.79 121.76 114.83 3hl1 s ALA 134 Ca 0.35 1.21 0.23 0.00 0.00 0.00 0.00 51.96 53.75 3hl1 s ALA 134 Cb 0.20 -3.46 1.19 0.00 0.00 0.00 0.00 23.12 21.05 3hl1 s ALA 134 CO 0.30 -0.58 1.76 -0.40 0.00 0.00 0.00 175.76 176.84 3hl1 n ASP 135 N 0.98 0.00 -0.97 0.00 5.75 -1.26 -2.67 116.55 118.38 3hl1 n ASP 135 Ca 0.00 -0.11 0.12 0.00 -0.01 0.00 0.00 54.79 54.79 3hl1 n ASP 135 Cb 0.42 -0.26 0.21 0.00 -1.03 0.00 0.00 41.12 40.46 3hl1 n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hl1 n ASP 136 N -1.26 2.97 -4.72 -1.12 5.68 -1.26 -4.88 116.55 111.95 3hl1 n ASP 136 Ca 0.12 -1.93 -0.42 0.00 -0.50 0.00 0.00 54.79 52.06 3hl1 n ASP 136 Cb 0.17 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 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 -1.76 3.97 -0.04 2.12 1.01 -1.09 -4.94 120.40 119.68 3hl1 s VAL 137 Ca 0.34 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.91 3hl1 s VAL 137 Cb 0.21 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 3hl1 s VAL 137 CO 0.31 0.17 0.11 1.07 0.00 0.00 0.00 175.10 176.76 3hl1 n THR 138 N 3.31 0.21 -5.10 3.92 5.66 -1.26 -5.02 114.28 116.00 3hl1 n THR 138 Ca 0.06 -0.23 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 3hl1 n THR 138 Cb 0.46 -0.17 -0.15 0.00 -1.55 0.00 0.00 70.33 68.93 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 -3.30 3.47 0.25 1.09 1.01 -1.26 -4.47 116.67 113.46 3hl1 s ASP 139 Ca -0.03 -0.38 0.05 0.00 0.71 0.00 0.00 52.55 52.90 3hl1 s ASP 139 Cb 0.04 -0.83 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 3hl1 s ASP 139 CO 0.30 0.28 -0.03 -0.31 0.21 0.00 0.00 175.17 175.62 3hl1 s TYR 140 N -0.38 1.74 -0.89 4.23 1.51 -0.02 -4.85 117.35 118.69 3hl1 s TYR 140 Ca 0.03 -0.81 0.27 0.00 -1.01 0.00 0.00 57.07 55.56 3hl1 s TYR 140 Cb -0.12 -1.00 0.96 0.00 -0.11 0.00 0.00 41.96 41.69 3hl1 s TYR 140 CO 0.02 0.12 1.78 0.41 -1.11 0.00 0.00 175.55 176.77 3hl1 n GLY 141 N -0.49 -1.53 3.63 0.71 0.00 -1.26 -0.56 105.19 105.68 3hl1 n GLY 141 Ca -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.58 -0.33 0.20 1.61 1.04 -1.26 -4.76 113.70 106.61 3hl1 s SER 142 Ca 0.12 -0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 3hl1 s SER 142 Cb 0.16 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.93 3hl1 s SER 142 CO 0.58 -0.92 1.65 0.40 0.98 0.00 0.00 173.24 175.93 3hl1 h ILE 143 N 2.00 1.26 -0.92 -1.02 2.04 -1.79 -2.59 117.51 116.49 3hl1 h ILE 143 Ca -0.25 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.46 3hl1 h ILE 143 Cb 1.25 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3hl1 h ILE 143 CO 0.29 0.42 0.59 1.23 0.00 0.00 0.00 178.15 180.69 3hl1 h GLY 144 N 0.97 1.34 0.97 5.37 0.00 -1.94 -1.07 103.07 108.70 3hl1 h GLY 144 Ca 0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3hl1 h GLY 144 CO 0.04 0.39 0.01 -2.09 0.00 0.00 0.00 176.54 174.88 3hl1 h GLU 145 N 1.15 0.78 -0.29 4.80 4.81 -1.89 0.05 114.58 123.98 3hl1 h GLU 145 Ca 0.37 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3hl1 h GLU 145 Cb 0.01 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 3hl1 h GLU 145 CO -0.12 0.84 -0.19 0.35 -0.73 0.00 0.00 179.01 179.16 3hl1 h PHE 146 N 0.62 -0.49 -0.20 0.92 3.04 -1.03 -1.72 116.94 118.09 3hl1 h PHE 146 Ca 0.13 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 3hl1 h PHE 146 Cb 0.48 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 3hl1 h PHE 146 CO 0.04 -0.27 -0.12 1.88 -2.02 0.00 0.00 178.31 177.82 3hl1 h TYR 147 N -0.16 0.33 -0.28 0.41 0.05 -0.96 -0.97 116.97 115.39 3hl1 h TYR 147 Ca 0.16 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.94 3hl1 h TYR 147 Cb 0.40 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 3hl1 h TYR 147 CO -0.38 0.44 0.01 -0.44 -1.05 0.00 0.00 178.16 176.74 3hl1 h ASP 148 N 0.30 -0.09 -0.27 3.88 3.32 -0.53 -1.43 116.42 121.60 3hl1 h ASP 148 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hl1 h ASP 148 Cb 0.40 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3hl1 h ASP 148 CO 0.02 -0.01 0.18 0.00 -1.72 0.00 0.00 179.24 177.71 3hl1 h ALA 149 N 1.24 0.34 -0.68 3.45 0.00 -1.02 -3.07 119.26 119.52 3hl1 h ALA 149 Ca 0.13 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hl1 h ALA 149 Cb 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3hl1 h ALA 149 CO -0.22 -0.19 0.36 1.25 0.00 0.00 0.00 179.25 180.45 3hl1 h LEU 150 N 0.36 0.50 -1.50 0.00 5.85 -0.98 -1.57 115.31 117.97 3hl1 h LEU 150 Ca 0.10 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.00 3hl1 h LEU 150 Cb -0.04 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3hl1 h LEU 150 CO -0.02 0.31 0.51 0.03 -0.34 0.00 0.00 178.44 178.93 3hl1 h ARG 151 N 0.64 0.49 -0.02 1.25 3.08 -1.17 -2.70 114.38 115.94 3hl1 h ARG 151 Ca 0.32 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 3hl1 h ARG 151 Cb 0.27 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hl1 h ARG 151 CO -0.22 0.32 -0.00 0.28 -1.07 0.00 0.00 179.97 179.28 3hl1 h VAL 152 N 0.50 1.29 0.00 2.04 2.07 -1.22 -0.85 116.25 120.08 3hl1 h VAL 152 Ca 0.38 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hl1 h VAL 152 Cb 0.75 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3hl1 h VAL 152 CO -0.13 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3hl1 n GLY 153 N -0.12 0.00 0.61 2.17 0.00 -1.02 -1.86 105.19 104.97 3hl1 n GLY 153 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.74 0.00 -0.03 1.61 2.13 -0.33 -1.14 120.64 123.62 3hl1 n GLU 155 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hl1 n GLU 155 Cb 0.00 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.00 3hl1 n GLU 155 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3hl1 h GLN 156 N 0.00 0.60 -0.48 5.31 4.20 -1.63 -3.00 115.11 120.11 3hl1 h GLN 156 Ca 0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3hl1 h GLN 156 Cb 0.00 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 3hl1 h GLN 156 CO 0.00 0.57 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 3hl1 n LEU 157 N -4.30 5.17 0.32 1.46 4.77 -0.29 -4.66 117.00 119.47 3hl1 n LEU 157 Ca 0.02 -2.97 0.21 0.00 -0.03 0.00 0.00 56.01 53.24 3hl1 n LEU 157 Cb 0.21 -0.64 1.10 0.00 -2.33 0.00 0.00 43.42 41.76 3hl1 n LEU 157 CO 0.39 0.65 1.14 0.08 -1.33 0.00 0.00 177.39 178.31 3hl1 h ARG 158 N 3.28 0.00 -0.01 3.23 0.11 -1.77 -1.69 114.38 117.53 3hl1 h ARG 158 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3hl1 h ARG 158 Cb 1.82 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.90 3hl1 h ARG 158 CO 0.41 0.00 0.04 0.78 0.10 0.00 0.00 179.97 181.30 3hl1 h GLY 159 N 0.00 0.00 1.71 0.08 0.00 -1.86 -1.59 103.07 101.41 3hl1 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hl1 h GLY 159 CO 0.00 0.00 -0.13 1.42 0.00 0.00 0.00 176.54 177.83 3hl1 n HIS 160 N -3.38 0.00 -2.11 5.60 8.25 -0.63 -4.78 115.22 118.16 3hl1 n HIS 160 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3hl1 n HIS 160 Cb 0.11 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.99 3.46 -0.06 1.59 1.01 -0.60 -4.49 120.40 118.32 3hl1 s VAL 161 Ca 0.14 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.04 3hl1 s VAL 161 Cb 0.19 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3hl1 s VAL 161 CO 0.57 -0.00 -0.23 -0.13 0.00 0.00 0.00 175.10 175.31 3hl1 s ARG 162 N 2.48 2.52 0.48 2.72 0.52 -0.14 -0.68 118.95 126.84 3hl1 s ARG 162 Ca 0.67 -0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 3hl1 s ARG 162 Cb -0.34 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.96 3hl1 s ARG 162 CO 0.29 0.31 1.00 0.20 0.02 0.00 0.00 175.30 177.12 3hl1 s GLY 163 N -0.01 2.37 -1.66 -3.53 0.00 -1.20 -4.00 107.32 99.29 3hl1 s GLY 163 Ca -0.07 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.08 3hl1 s GLY 163 CO 0.05 0.75 0.36 0.70 0.00 0.00 0.00 173.10 174.96 3hl1 n ASN 164 N -1.03 -6.08 -4.28 1.64 3.02 0.18 -4.87 115.26 103.84 3hl1 n ASN 164 Ca 0.08 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 3hl1 n ASN 164 Cb 0.53 -4.97 -0.08 0.00 -0.61 0.00 0.00 39.78 34.65 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 -5.44 2.72 -1.40 3.52 0.74 -1.26 -4.55 119.66 114.00 3hl1 s GLN 165 Ca 0.18 -1.59 -0.01 0.00 0.05 0.00 0.00 55.36 53.99 3hl1 s GLN 165 Cb -0.08 -4.00 0.01 0.00 1.10 0.00 0.00 33.01 30.04 3hl1 s GLN 165 CO 0.22 -1.12 0.52 1.63 -0.55 0.00 0.00 175.29 175.99 3hl1 n LYS 166 N 5.04 -3.78 -1.01 1.67 5.02 -1.26 -4.00 118.16 119.84 3hl1 n LYS 166 Ca -0.11 0.46 -0.06 0.00 -2.02 0.00 0.00 58.31 56.59 3hl1 n LYS 166 Cb 0.42 -4.75 0.03 0.00 -0.02 0.00 0.00 35.03 30.71 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 -4.38 0.35 0.00 1.97 1.13 -1.26 -4.59 117.38 110.60 3hl1 n GLN 167 Ca -0.28 -0.64 0.00 0.00 -1.94 0.00 0.00 57.00 54.14 3hl1 n GLN 167 Cb 0.67 -0.18 0.00 0.00 0.11 0.00 0.00 30.24 30.84 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 -3.01 0.00 -3.71 1.08 2.03 -1.26 -5.00 116.55 106.68 3hl1 n ASP 169 Ca 0.04 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.07 3hl1 n ASP 169 Cb 0.14 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 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 2.05 -1.99 -0.67 -0.58 -1.26 -5.10 120.64 113.09 3hl1 n GLU 170 Ca 0.00 -4.52 -0.41 0.00 -0.42 0.00 0.00 57.16 51.80 3hl1 n GLU 170 Cb 0.00 -2.26 -0.02 0.00 -0.57 0.00 0.00 31.44 28.59 3hl1 n GLU 170 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3hl1 s ASN 177 N -1.81 6.63 -0.30 1.62 3.84 -1.26 -5.11 114.94 118.55 3hl1 s ASN 177 Ca 0.31 2.68 -0.28 0.00 0.21 0.00 0.00 52.86 55.78 3hl1 s ASN 177 Cb 0.03 -2.62 0.20 0.00 -0.55 0.00 0.00 41.25 38.31 3hl1 s ASN 177 CO -0.11 -0.72 1.42 -0.55 -2.79 0.00 0.00 177.10 174.34 3hl1 s SER 178 N 0.42 -0.01 0.96 -4.21 0.15 -1.26 -5.16 113.70 104.59 3hl1 s SER 178 Ca 0.60 0.02 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 3hl1 s SER 178 Cb -0.42 0.01 0.17 0.00 -1.71 0.00 0.00 66.02 64.07 3hl1 s SER 178 CO 0.43 -0.01 1.13 -2.16 1.20 0.00 0.00 173.24 173.83 3hl1 s PRO 179 N -0.66 0.75 0.52 5.44 0.04 -1.26 -4.95 135.00 134.87 3hl1 s PRO 179 Ca 0.09 0.31 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 3hl1 s PRO 179 Cb -0.02 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 3hl1 s PRO 179 CO -0.11 -2.47 1.20 -0.35 0.04 0.00 0.00 177.00 175.31 3hl1 n PRO 180 N -3.96 1.51 -2.65 0.56 -0.04 -1.26 -4.84 135.00 124.32 3hl1 n PRO 180 Ca 0.07 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.66 3hl1 n PRO 180 Cb 0.59 -2.37 0.01 0.00 -0.04 0.00 0.00 33.50 31.69 3hl1 n PRO 180 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hl1 n LEU 181 N -0.48 6.72 -4.22 1.53 4.77 -1.26 -4.88 117.00 119.17 3hl1 n LEU 181 Ca 0.10 -4.99 -0.13 0.00 -0.03 0.00 0.00 56.01 50.96 3hl1 n LEU 181 Cb 0.43 -1.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 3hl1 n LEU 181 CO 0.54 1.64 -0.31 0.42 -1.33 0.00 0.00 177.39 178.35 3hl1 s THR 182 N -1.62 0.48 -0.43 -5.08 -4.23 -1.26 -4.87 115.64 98.62 3hl1 s THR 182 Ca 0.36 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.76 3hl1 s THR 182 Cb 0.09 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.80 3hl1 s THR 182 CO 0.04 -0.41 0.33 -0.69 -0.54 0.00 0.00 174.62 173.35 3hl1 s VAL 183 N -3.80 5.22 -0.46 2.29 1.01 -1.26 -4.90 120.40 118.50 3hl1 s VAL 183 Ca 0.26 -0.82 0.19 0.00 0.00 0.00 0.00 61.98 61.60 3hl1 s VAL 183 Cb 0.07 -3.99 -0.25 0.00 0.00 0.00 0.00 36.38 32.21 3hl1 s VAL 183 CO 0.05 -0.41 0.60 0.35 0.00 0.00 0.00 175.10 175.69 3hl1 n THR 184 N 5.17 0.00 -4.28 3.92 -2.24 -1.26 -0.64 114.28 114.95 3hl1 n THR 184 Ca -0.12 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 3hl1 n THR 184 Cb 0.46 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 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 -3.02 2.28 0.46 -0.78 0.41 -1.26 -3.87 118.70 112.91 3hl1 s GLU 185 Ca 0.00 -1.33 0.04 0.00 -0.41 0.00 0.00 54.97 53.28 3hl1 s GLU 185 Cb 0.13 -2.20 0.01 0.00 -1.78 0.00 0.00 34.13 30.29 3hl1 s GLU 185 CO 0.77 0.40 0.64 -1.12 -0.49 0.00 0.00 175.26 175.45 3hl1 s SER 186 N -3.38 5.60 0.93 -0.19 0.01 -1.26 -3.15 113.70 112.25 3hl1 s SER 186 Ca 0.29 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.40 3hl1 s SER 186 Cb -0.07 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.22 3hl1 s SER 186 CO 0.19 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.61 3hl1 n GLY 187 N -2.02 2.75 0.28 3.44 0.00 0.14 -2.46 105.19 107.32 3hl1 n GLY 187 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 5.22 0.79 -0.55 1.61 5.19 -1.91 -1.13 116.42 125.64 3hl1 h ASP 188 Ca 0.00 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.43 3hl1 h ASP 188 Cb 0.00 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.28 3hl1 h ASP 188 CO 0.00 0.57 0.32 0.00 -3.12 0.00 0.00 179.24 177.01 3hl1 h ALA 189 N 1.27 0.71 -0.15 3.45 0.00 -1.88 -0.65 119.26 122.02 3hl1 h ALA 189 Ca 0.27 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3hl1 h ALA 189 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hl1 h ALA 189 CO -0.07 0.02 -0.43 0.78 0.00 0.00 0.00 179.25 179.55 3hl1 h GLY 190 N 0.63 0.37 0.99 0.00 0.00 -1.11 -1.97 103.07 101.98 3hl1 h GLY 190 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hl1 h GLY 190 CO -0.11 0.33 0.28 -2.75 0.00 0.00 0.00 176.54 174.29 3hl1 h PHE 191 N 0.28 0.61 -0.91 5.60 3.57 -0.88 0.09 116.94 125.30 3hl1 h PHE 191 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hl1 h PHE 191 Cb 0.87 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3hl1 h PHE 191 CO 0.02 0.42 0.58 -0.07 -2.23 0.00 0.00 178.31 177.03 3hl1 h LEU 192 N 0.62 1.07 -0.48 0.59 3.38 -0.79 -0.92 115.31 118.78 3hl1 h LEU 192 Ca 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hl1 h LEU 192 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3hl1 h LEU 192 CO -0.03 0.80 0.24 1.56 0.09 0.00 0.00 178.44 181.10 3hl1 h GLN 193 N 1.25 0.69 -0.94 1.13 4.20 -1.09 -2.64 115.11 117.71 3hl1 h GLN 193 Ca 0.33 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.99 3hl1 h GLN 193 Cb -0.10 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.49 3hl1 h GLN 193 CO -0.07 0.57 0.61 0.00 -0.67 0.00 0.00 178.83 179.27 3hl1 h ALA 194 N 1.08 1.26 -0.68 3.87 0.00 -0.48 -1.89 119.26 122.43 3hl1 h ALA 194 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hl1 h ALA 194 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hl1 h ALA 194 CO -0.02 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.92 3hl1 h LEU 195 N 1.15 0.87 -0.48 0.00 3.38 -1.00 -1.37 115.31 117.86 3hl1 h LEU 195 Ca 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3hl1 h LEU 195 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3hl1 h LEU 195 CO -0.14 0.75 0.23 0.74 0.09 0.00 0.00 178.44 180.11 3hl1 h THR 196 N 0.96 1.19 -0.85 0.22 2.02 -1.00 -1.10 112.91 114.35 3hl1 h THR 196 Ca 0.23 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3hl1 h THR 196 Cb 0.11 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3hl1 h THR 196 CO -0.03 0.21 0.56 -0.07 0.37 0.00 0.00 175.52 176.56 3hl1 h LEU 197 N 0.64 0.96 -0.76 2.58 3.38 -0.85 -1.37 115.31 119.88 3hl1 h LEU 197 Ca 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hl1 h LEU 197 Cb 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hl1 h LEU 197 CO -0.02 0.69 0.49 0.58 0.09 0.00 0.00 178.44 180.27 3hl1 h VAL 198 N 1.13 1.15 -0.71 1.22 2.07 -0.89 -2.43 116.25 117.79 3hl1 h VAL 198 Ca 0.32 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hl1 h VAL 198 Cb -0.10 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 3hl1 h VAL 198 CO -0.08 0.18 0.43 0.44 0.02 0.00 0.00 177.57 178.56 3hl1 h ASP 199 N 0.98 0.85 -0.64 0.57 3.32 -0.47 -1.11 116.42 119.94 3hl1 h ASP 199 Ca 0.29 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.31 3hl1 h ASP 199 Cb -0.05 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 3hl1 h ASP 199 CO -0.08 0.67 0.38 0.40 -1.72 0.00 0.00 179.24 178.89 3hl1 h ILE 200 N 0.97 1.05 0.08 0.35 2.04 -1.13 -0.06 117.51 120.82 3hl1 h ILE 200 Ca 0.25 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hl1 h ILE 200 Cb -0.03 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3hl1 h ILE 200 CO -0.05 0.14 -0.04 0.40 0.00 0.00 0.00 178.15 178.60 3hl1 h ILE 201 N 0.74 0.96 -0.30 -0.67 2.04 -0.90 -2.60 117.51 116.78 3hl1 h ILE 201 Ca 0.26 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.86 3hl1 h ILE 201 Cb 0.06 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3hl1 h ILE 201 CO -0.12 0.03 -0.33 0.58 0.00 0.00 0.00 178.15 178.31 3hl1 h VAL 202 N -0.17 1.30 -0.86 1.67 2.07 -1.14 -2.76 116.25 116.36 3hl1 h VAL 202 Ca -0.01 -1.51 0.07 0.00 0.82 0.00 0.00 66.70 66.07 3hl1 h VAL 202 Cb 0.14 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3hl1 h VAL 202 CO 0.02 0.49 0.56 0.44 0.02 0.00 0.00 177.57 179.10 3hl1 h ASP 203 N 0.51 0.84 -0.25 0.57 3.32 -1.05 -1.59 116.42 118.77 3hl1 h ASP 203 Ca 0.04 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 3hl1 h ASP 203 Cb 0.92 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3hl1 h ASP 203 CO 0.08 0.53 -0.56 1.56 -1.72 0.00 0.00 179.24 179.14 3hl1 h GLN 204 N 0.95 0.84 0.20 3.56 4.20 -1.37 -1.15 115.11 122.34 3hl1 h GLN 204 Ca 0.38 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3hl1 h GLN 204 Cb 0.24 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3hl1 h GLN 204 CO -0.14 1.17 -0.10 0.78 -0.67 0.00 0.00 178.83 179.88 3hl1 h GLY 205 N 0.73 -0.28 0.00 3.46 0.00 -1.17 -1.49 103.07 104.32 3hl1 h GLY 205 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hl1 h GLY 205 CO 0.12 -0.10 -0.30 -1.84 0.00 0.00 0.00 176.54 174.42 3hl1 n GLU 206 N -4.99 5.05 0.00 4.80 0.28 -0.63 -1.55 120.64 123.59 3hl1 n GLU 206 Ca -0.08 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3hl1 n GLU 206 Cb 0.26 -0.73 0.00 0.00 1.43 0.00 0.00 31.44 32.40 3hl1 n GLU 206 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hl1 n GLY 207 N 1.24 1.09 0.11 -1.84 0.00 -0.43 -4.92 105.19 100.44 3hl1 n GLY 207 Ca 0.01 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 3hl1 n GLY 207 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hl1 n GLN 208 N 1.11 0.56 0.25 1.61 1.13 -1.26 -4.54 117.38 116.24 3hl1 n GLN 208 Ca 0.00 0.47 -0.15 0.00 -1.94 0.00 0.00 57.00 55.38 3hl1 n GLN 208 Cb 0.00 -1.66 -0.08 0.00 0.11 0.00 0.00 30.24 28.61 3hl1 n GLN 208 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hl1 h ALA 229 N -0.68 -0.60 -3.32 -1.58 0.00 -1.99 -3.51 119.26 107.58 3hl1 h ALA 229 Ca -0.43 -0.16 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 3hl1 h ALA 229 Cb 1.35 0.23 -0.31 0.00 0.00 0.00 0.00 17.79 19.05 3hl1 h ALA 229 CO -0.26 -0.78 -0.71 -0.46 0.00 0.00 0.00 179.25 177.04 3hl1 s TRP 230 N -5.64 3.15 0.82 0.00 -0.00 -1.26 -5.10 118.94 110.91 3hl1 s TRP 230 Ca -0.16 -1.60 -0.11 0.00 -0.00 0.00 0.00 56.10 54.24 3hl1 s TRP 230 Cb 0.03 -2.10 0.08 0.00 -0.00 0.00 0.00 33.47 31.49 3hl1 s TRP 230 CO 0.60 -0.74 1.10 -2.14 -0.00 0.00 0.00 176.95 175.77 3hl1 s PRO 231 N 1.32 1.88 0.20 5.86 0.02 -1.26 -4.76 135.00 138.25 3hl1 s PRO 231 Ca -0.02 1.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.04 3hl1 s PRO 231 Cb -0.18 -1.86 0.14 0.00 0.02 0.00 0.00 34.50 32.63 3hl1 s PRO 231 CO -0.02 -1.90 1.86 0.45 -0.33 0.00 0.00 177.00 177.05 3hl1 h HIS 232 N -1.32 0.92 0.18 6.54 3.86 -0.58 -1.46 115.15 123.30 3hl1 h HIS 232 Ca -0.45 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.78 3hl1 h HIS 232 Cb 1.25 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 3hl1 h HIS 232 CO 0.54 0.60 -0.23 0.35 0.86 0.00 0.00 177.93 180.04 3hl1 h PHE 233 N 0.98 -0.62 -0.36 2.45 3.57 -1.50 -0.39 116.94 121.07 3hl1 h PHE 233 Ca 0.26 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3hl1 h PHE 233 Cb -0.08 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3hl1 h PHE 233 CO -0.02 -0.34 0.19 1.96 -2.23 0.00 0.00 178.31 177.87 3hl1 h GLN 234 N -0.47 0.37 -0.51 1.11 7.50 -1.79 0.48 115.11 121.81 3hl1 h GLN 234 Ca 0.01 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.24 3hl1 h GLN 234 Cb 0.46 -0.08 -0.10 0.00 0.05 0.00 0.00 27.48 27.81 3hl1 h GLN 234 CO -0.09 0.25 -0.13 0.00 -1.50 0.00 0.00 178.83 177.36 3hl1 h ARG 235 N 0.38 -0.01 -0.12 1.46 3.08 -0.98 -0.19 114.38 118.00 3hl1 h ARG 235 Ca 0.15 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.00 3hl1 h ARG 235 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hl1 h ARG 235 CO -0.09 -0.01 -0.72 0.74 -1.07 0.00 0.00 179.97 178.82 3hl1 h PHE 236 N -0.01 0.76 -0.47 3.04 0.04 -0.59 -2.40 116.94 117.32 3hl1 h PHE 236 Ca 0.24 -0.33 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 3hl1 h PHE 236 Cb 0.38 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3hl1 h PHE 236 CO -0.44 1.11 0.08 0.22 -0.60 0.00 0.00 178.31 178.68 3hl1 h ASP 237 N 0.40 0.67 -0.22 2.17 3.58 -0.64 -0.56 116.42 121.83 3hl1 h ASP 237 Ca -0.03 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.32 3hl1 h ASP 237 Cb 1.31 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.16 3hl1 h ASP 237 CO 0.13 0.69 0.06 0.15 -2.88 0.00 0.00 179.24 177.39 3hl1 h PHE 238 N 0.69 0.10 -0.56 0.28 3.57 -0.80 -2.20 116.94 118.03 3hl1 h PHE 238 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3hl1 h PHE 238 Cb 0.31 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3hl1 h PHE 238 CO 0.02 0.04 0.22 0.82 -2.23 0.00 0.00 178.31 177.18 3hl1 h ILE 239 N 0.15 1.22 -0.68 1.41 2.04 -1.06 -2.49 117.51 118.10 3hl1 h ILE 239 Ca 0.10 -0.69 0.11 0.00 1.00 0.00 0.00 64.86 65.38 3hl1 h ILE 239 Cb 0.08 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3hl1 h ILE 239 CO -0.12 0.27 0.46 -0.09 0.00 0.00 0.00 178.15 178.67 3hl1 h ARG 240 N 0.76 0.46 -5.14 2.37 2.43 -0.79 -3.47 114.38 111.00 3hl1 h ARG 240 Ca 0.19 -0.03 -0.69 0.00 -0.81 0.00 0.00 59.98 58.64 3hl1 h ARG 240 Cb 0.20 -0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 29.48 3hl1 h ARG 240 CO -0.02 0.30 1.09 1.03 -1.51 0.00 0.00 179.97 180.87 3hl1 s ARG 241 N -5.45 3.72 -0.06 0.20 0.52 -0.85 -5.10 118.95 111.93 3hl1 s ARG 241 Ca -0.08 -1.87 0.02 0.00 -0.52 0.00 0.00 55.73 53.28 3hl1 s ARG 241 Cb 0.20 -5.03 -0.05 0.00 0.52 0.00 0.00 34.95 30.58 3hl1 s ARG 241 CO 0.76 -1.85 -0.03 -0.35 0.02 0.00 0.00 175.30 173.85 3hl1 n PRO 243 N 6.73 1.28 -3.88 3.54 -0.04 -1.26 -5.09 135.00 136.27 3hl1 n PRO 243 Ca 0.29 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 3hl1 n PRO 243 Cb 0.48 -1.14 -0.15 0.00 -0.04 0.00 0.00 33.50 32.65 3hl1 n PRO 243 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hl1 s ASN 244 N -4.31 4.41 0.29 3.54 0.01 -1.26 -5.10 114.94 112.52 3hl1 s ASN 244 Ca -0.07 -1.95 -0.23 0.00 -0.71 0.00 0.00 52.86 49.91 3hl1 s ASN 244 Cb 0.02 -1.27 -0.09 0.00 0.41 0.00 0.00 41.25 40.31 3hl1 s ASN 244 CO 0.19 -0.39 0.84 0.26 -1.51 0.00 0.00 177.10 176.49 3hl1 s TRP 245 N 1.19 3.63 0.80 2.20 0.52 -1.26 -5.03 118.94 120.99 3hl1 s TRP 245 Ca 0.11 1.58 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 3hl1 s TRP 245 Cb -0.18 -2.77 0.07 0.00 -1.15 0.00 0.00 33.47 29.43 3hl1 s TRP 245 CO -0.16 0.23 1.09 -1.25 0.02 0.00 0.00 176.95 176.89 3hl1 s PRO 246 N -2.15 2.08 0.41 4.98 0.04 -1.26 -4.98 135.00 134.12 3hl1 s PRO 246 Ca 0.48 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 3hl1 s PRO 246 Cb -0.17 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3hl1 s PRO 246 CO 0.22 -1.74 1.34 0.20 0.04 0.00 0.00 177.00 177.05 3hl1 s GLY 247 N -3.44 2.93 0.14 0.56 0.00 -1.26 -4.92 107.32 101.33 3hl1 s GLY 247 Ca 0.61 1.30 0.09 0.00 0.00 0.00 0.00 44.72 46.73 3hl1 s GLY 247 CO 0.56 1.90 -0.21 -1.34 0.00 0.00 0.00 173.10 174.01 3hl1 s VAL 248 N -1.24 1.91 0.63 1.40 -7.23 -1.26 -1.57 120.40 113.04 3hl1 s VAL 248 Ca 0.57 -1.77 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 3hl1 s VAL 248 Cb -0.40 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 3hl1 s VAL 248 CO 0.51 -0.14 1.18 -0.31 -0.31 0.00 0.00 175.10 176.04 3hl1 s TYR 249 N -1.53 2.37 -0.02 2.82 2.02 0.51 -4.89 117.35 118.63 3hl1 s TYR 249 Ca 0.13 1.55 -0.01 0.00 -0.37 0.00 0.00 57.07 58.36 3hl1 s TYR 249 Cb -0.08 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.03 3hl1 s TYR 249 CO 0.06 -2.16 0.08 -0.08 -1.57 0.00 0.00 175.55 171.88 3hl1 s THR 250 N -1.84 4.76 0.09 -0.71 -1.32 -1.26 -4.92 115.64 110.43 3hl1 s THR 250 Ca 0.74 -0.34 -0.25 0.00 -1.21 0.00 0.00 61.69 60.62 3hl1 s THR 250 Cb -0.28 -3.15 0.08 0.00 -1.51 0.00 0.00 72.50 67.64 3hl1 s THR 250 CO 0.37 0.39 0.70 -0.83 -2.21 0.00 0.00 174.62 173.04 3hl1 s GLY 251 N -1.61 -0.56 0.09 6.08 0.00 -1.26 -4.13 107.32 105.92 3hl1 s GLY 251 Ca 0.21 0.75 0.05 0.00 0.00 0.00 0.00 44.72 45.73 3hl1 s GLY 251 CO 0.12 0.30 -0.00 -1.34 0.00 0.00 0.00 173.10 172.19 3hl1 s VAL 252 N -3.27 4.02 0.22 1.40 -7.23 -0.48 -4.65 120.40 110.40 3hl1 s VAL 252 Ca 0.01 -0.99 0.12 0.00 -1.81 0.00 0.00 61.98 59.31 3hl1 s VAL 252 Cb -0.01 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 3hl1 s VAL 252 CO -0.09 0.12 1.60 0.71 -0.31 0.00 0.00 175.10 177.12 3hl1 h THR 253 N 2.87 1.33 -2.67 5.32 1.35 -1.89 -0.76 112.91 118.47 3hl1 h THR 253 Ca -0.48 -2.13 -0.60 0.00 -0.55 0.00 0.00 66.41 62.65 3hl1 h THR 253 Cb 1.16 2.18 -0.40 0.00 -1.73 0.00 0.00 68.15 69.36 3hl1 h THR 253 CO 0.60 0.59 -0.77 0.47 -0.25 0.00 0.00 175.52 176.16 3hl1 n ASP 254 N -3.68 1.48 -4.71 5.36 9.92 -1.26 -4.75 116.55 118.92 3hl1 n ASP 254 Ca -0.01 -2.86 -0.30 0.00 -0.53 0.00 0.00 54.79 51.09 3hl1 n ASP 254 Cb 0.63 -0.66 0.13 0.00 -0.64 0.00 0.00 41.12 40.58 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 -0.90 1.43 0.18 -0.24 0.04 -1.26 -4.92 135.00 129.32 3hl1 s PRO 255 Ca 0.30 1.05 -0.33 0.00 0.04 0.00 0.00 61.00 62.05 3hl1 s PRO 255 Cb 0.02 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.61 3hl1 s PRO 255 CO -0.17 -2.18 1.56 -2.30 0.04 0.00 0.00 177.00 173.95 3hl1 n PRO 256 N -3.87 2.18 -0.06 0.56 -0.02 -1.26 -4.79 135.00 127.72 3hl1 n PRO 256 Ca 0.08 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.54 3hl1 n PRO 256 Cb 0.54 -2.54 0.65 0.00 -0.02 0.00 0.00 33.50 32.12 3hl1 n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hl1 h ALA 257 N 5.69 2.44 -0.58 3.55 0.00 -2.00 0.15 119.26 128.52 3hl1 h ALA 257 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hl1 h ALA 257 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hl1 h ALA 257 CO 0.87 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3hl1 n GLY 258 N -1.62 2.97 3.87 0.00 0.00 -1.26 -4.70 105.19 104.45 3hl1 n GLY 258 Ca 0.12 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.99 6.46 0.34 1.61 1.04 0.04 -4.96 113.70 117.26 3hl1 s SER 259 Ca 0.50 1.21 0.11 0.00 0.48 0.00 0.00 55.95 58.25 3hl1 s SER 259 Cb 0.35 -2.36 0.88 0.00 0.10 0.00 0.00 66.02 64.99 3hl1 s SER 259 CO 0.20 -0.52 1.79 -0.65 0.98 0.00 0.00 173.24 175.04 3hl1 h PRO 260 N 0.85 0.60 -0.47 4.02 0.11 -1.95 -1.62 132.00 133.54 3hl1 h PRO 260 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3hl1 h PRO 260 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3hl1 h PRO 260 CO 0.63 0.40 -0.19 0.78 -0.21 0.00 0.00 178.00 179.40 3hl1 h GLY 261 N 0.62 1.02 0.99 -0.55 0.00 -1.90 0.56 103.07 103.81 3hl1 h GLY 261 Ca 0.56 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3hl1 h GLY 261 CO -0.33 0.80 0.29 0.00 0.00 0.00 0.00 176.54 177.30 3hl1 h ALA 262 N 0.95 0.72 -0.11 3.60 0.00 -1.60 -1.47 119.26 121.36 3hl1 h ALA 262 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hl1 h ALA 262 Cb 0.75 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hl1 h ALA 262 CO 0.06 0.26 -0.24 0.93 0.00 0.00 0.00 179.25 180.26 3hl1 h GLU 263 N 0.75 0.18 -0.30 0.00 5.08 -1.02 -0.14 114.58 119.14 3hl1 h GLU 263 Ca 0.19 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3hl1 h GLU 263 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hl1 h GLU 263 CO -0.03 0.42 0.10 0.00 -1.00 0.00 0.00 179.01 178.49 3hl1 h ALA 264 N 1.59 0.39 -0.52 3.43 0.00 -0.57 -1.06 119.26 122.53 3hl1 h ALA 264 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hl1 h ALA 264 Cb 0.52 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hl1 h ALA 264 CO 0.04 0.02 0.23 1.96 0.00 0.00 0.00 179.25 181.49 3hl1 h GLN 265 N 0.32 0.43 -0.86 0.00 4.20 -0.88 -1.89 115.11 116.43 3hl1 h GLN 265 Ca 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3hl1 h GLN 265 Cb 0.24 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3hl1 h GLN 265 CO -0.00 0.28 0.44 0.00 -0.67 0.00 0.00 178.83 178.88 3hl1 h ALA 266 N 1.31 1.10 -0.72 3.87 0.00 -0.68 -0.66 119.26 123.49 3hl1 h ALA 266 Ca 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hl1 h ALA 266 Cb 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hl1 h ALA 266 CO -0.20 0.64 0.35 -0.09 0.00 0.00 0.00 179.25 179.95 3hl1 h ARG 267 N 1.21 1.03 -0.35 0.00 2.43 -0.95 -1.69 114.38 116.06 3hl1 h ARG 267 Ca 0.30 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3hl1 h ARG 267 Cb 0.07 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3hl1 h ARG 267 CO -0.04 0.80 0.15 1.25 -1.51 0.00 0.00 179.97 180.62 3hl1 h LEU 268 N 1.01 0.47 -0.35 3.80 5.85 -0.89 0.29 115.31 125.48 3hl1 h LEU 268 Ca 0.25 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3hl1 h LEU 268 Cb 0.11 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3hl1 h LEU 268 CO -0.03 0.49 0.08 0.40 -0.34 0.00 0.00 178.44 179.03 3hl1 h ILE 269 N 0.42 0.84 0.17 4.05 2.04 -0.98 0.46 117.51 124.50 3hl1 h ILE 269 Ca 0.12 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3hl1 h ILE 269 Cb 0.16 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3hl1 h ILE 269 CO -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 178.15 178.09 3hl1 h ALA 270 N 1.25 -0.23 -0.65 1.87 0.00 -1.16 -1.77 119.26 118.58 3hl1 h ALA 270 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hl1 h ALA 270 Cb 0.18 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hl1 h ALA 270 CO -0.21 -0.57 0.22 -0.44 0.00 0.00 0.00 179.25 178.25 3hl1 h ASP 271 N -0.34 0.90 -0.50 0.00 3.32 -0.80 -1.24 116.42 117.76 3hl1 h ASP 271 Ca -0.02 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3hl1 h ASP 271 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3hl1 h ASP 271 CO 0.04 0.83 0.23 0.15 -1.72 0.00 0.00 179.24 178.77 3hl1 h PHE 272 N 0.95 0.73 -0.31 4.55 3.57 -0.87 0.47 116.94 126.03 3hl1 h PHE 272 Ca 0.21 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3hl1 h PHE 272 Cb 0.24 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3hl1 h PHE 272 CO 0.02 0.58 0.09 0.00 -2.23 0.00 0.00 178.31 176.76 3hl1 h ALA 273 N 1.07 0.34 -0.86 2.41 0.00 -0.89 -0.82 119.26 120.51 3hl1 h ALA 273 Ca 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hl1 h ALA 273 Cb 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hl1 h ALA 273 CO -0.02 -0.32 0.44 0.78 0.00 0.00 0.00 179.25 180.14 3hl1 h GLY 274 N 0.21 1.31 1.05 0.00 0.00 -0.95 -1.27 103.07 103.43 3hl1 h GLY 274 Ca 0.14 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 3hl1 h GLY 274 CO -0.17 0.59 -0.12 -2.75 0.00 0.00 0.00 176.54 174.10 3hl1 h PHE 275 N 1.22 1.04 -0.78 5.60 3.57 -0.42 -1.92 116.94 125.25 3hl1 h PHE 275 Ca 0.30 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hl1 h PHE 275 Cb 0.07 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3hl1 h PHE 275 CO 0.01 1.01 0.43 -0.07 -2.23 0.00 0.00 178.31 177.46 3hl1 h LEU 276 N 0.78 0.98 -0.66 0.59 3.38 -0.96 -0.74 115.31 118.68 3hl1 h LEU 276 Ca 0.12 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3hl1 h LEU 276 Cb 0.67 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3hl1 h LEU 276 CO 0.05 0.79 0.33 0.44 0.09 0.00 0.00 178.44 180.14 3hl1 h ASP 277 N 1.08 0.44 0.11 -0.43 3.32 -1.01 0.12 116.42 120.05 3hl1 h ASP 277 Ca 0.28 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3hl1 h ASP 277 Cb 0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hl1 h ASP 277 CO -0.04 0.27 -0.05 0.40 -1.72 0.00 0.00 179.24 178.09 3hl1 h ILE 278 N 0.59 0.89 -0.89 0.35 2.04 -0.96 -2.68 117.51 116.85 3hl1 h ILE 278 Ca 0.31 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.16 3hl1 h ILE 278 Cb 0.29 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3hl1 h ILE 278 CO -0.23 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.37 3hl1 h LEU 279 N -0.15 1.09 -0.99 1.44 3.38 -0.71 -2.50 115.31 116.87 3hl1 h LEU 279 Ca -0.02 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hl1 h LEU 279 Cb 0.11 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3hl1 h LEU 279 CO 0.02 0.85 0.64 0.78 0.09 0.00 0.00 178.44 180.82 3hl1 h ASN 280 N 1.24 1.02 0.00 -0.43 2.35 -0.59 0.21 115.58 119.38 3hl1 h ASN 280 Ca 0.32 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3hl1 h ASN 280 Cb -0.02 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3hl1 h ASN 280 CO -0.06 0.65 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 3hl1 n GLY 281 N -1.36 0.35 0.00 2.83 0.00 -0.94 -2.38 105.19 103.69 3hl1 n GLY 281 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.39 0.00 -0.56 1.61 3.01 0.72 -0.80 117.46 121.83 3hl1 n PHE 283 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 3hl1 n PHE 283 Cb 0.06 0.00 0.26 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 3.86 0.00 4.37 7.64 -1.00 -4.31 113.62 124.17 3hl1 n SER 284 Ca 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.45 3hl1 n SER 284 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.48 0.73 3.80 0.23 0.00 -1.14 -5.01 105.19 104.27 3hl1 n GLY 285 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.54 1.92 0.60 -0.02 0.00 0.02 -4.98 107.32 103.32 3hl1 s GLY 286 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.85 3hl1 s GLY 286 CO 0.00 0.62 1.09 -0.32 0.00 0.00 0.00 173.10 174.49 3hl1 s GLY 287 N -3.16 2.27 -0.01 0.20 0.00 -1.26 -4.84 107.32 100.53 3hl1 s GLY 287 Ca 0.62 0.55 -0.30 0.00 0.00 0.00 0.00 44.72 45.59 3hl1 s GLY 287 CO 0.46 0.89 1.79 0.00 0.00 0.00 0.00 173.10 176.24 3hl1 s ALA 288 N -2.23 3.61 0.79 3.20 0.00 -1.26 -5.01 121.76 120.86 3hl1 s ALA 288 Ca 0.67 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 3hl1 s ALA 288 Cb -0.19 -3.79 0.06 0.00 0.00 0.00 0.00 23.12 19.20 3hl1 s ALA 288 CO 0.35 -1.46 1.10 -1.25 0.00 0.00 0.00 175.76 174.50 3hl1 s PRO 289 N 4.13 2.18 0.51 0.00 0.04 -1.26 -4.92 135.00 135.67 3hl1 s PRO 289 Ca 0.80 0.61 0.20 0.00 0.04 0.00 0.00 61.00 62.65 3hl1 s PRO 289 Cb -0.38 -1.93 1.29 0.00 0.04 0.00 0.00 34.50 33.52 3hl1 s PRO 289 CO 0.35 -1.55 2.05 -1.35 0.04 0.00 0.00 177.00 176.54 3hl1 h PRO 290 N -1.04 0.07 0.00 0.56 0.11 -2.06 -2.19 132.00 127.46 3hl1 h PRO 290 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hl1 h PRO 290 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hl1 h PRO 290 CO 0.60 0.05 0.12 0.00 -0.21 0.00 0.00 178.00 178.55 3hl1 n ALA 291 N -2.59 0.77 0.08 -0.75 0.00 -1.26 -4.02 120.51 112.75 3hl1 n ALA 291 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 3hl1 n ALA 291 Cb 0.38 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 0.00 0.00 3.57 -1.75 0.21 116.94 118.71 3hl1 h PHE 292 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hl1 h PHE 292 Cb 0.23 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3hl1 h PHE 292 CO 0.00 -0.16 -0.05 0.78 -2.23 0.00 0.00 178.31 176.65 3hl1 h GLY 293 N -0.85 0.00 0.32 2.40 0.00 -1.82 -3.20 103.07 99.93 3hl1 h GLY 293 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3hl1 h GLY 293 CO 0.05 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.43 3hl1 h VAL 294 N 0.00 0.72 0.00 4.60 2.07 -1.70 -3.29 116.25 118.66 3hl1 h VAL 294 Ca -0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3hl1 h VAL 294 Cb 0.09 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3hl1 h VAL 294 CO 0.01 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.79 3hl1 n GLN 295 N -4.92 0.00 0.00 1.57 3.00 0.75 -3.64 117.38 114.14 3hl1 n GLN 295 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3hl1 n GLN 295 Cb 0.25 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 29.62 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 0.01 0.00 -0.23 -1.58 0.00 -1.24 -3.16 120.51 114.31 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 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 3hl1 n ALA 297 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hl1 h LYS 298 N 0.00 0.94 -0.84 0.00 3.64 -1.85 -2.52 116.57 115.93 3hl1 h LYS 298 Ca 0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3hl1 h LYS 298 Cb 0.00 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 3hl1 h LYS 298 CO 0.00 0.62 0.42 -0.07 -2.27 0.00 0.00 179.45 178.15 3hl1 h LEU 299 N 0.96 1.10 -0.55 5.20 3.38 -1.86 -0.57 115.31 122.97 3hl1 h LEU 299 Ca 0.31 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3hl1 h LEU 299 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3hl1 h LEU 299 CO -0.09 0.91 -0.07 1.23 0.09 0.00 0.00 178.44 180.51 3hl1 h GLY 300 N 1.20 1.10 0.99 0.83 0.00 -1.84 -0.07 103.07 105.28 3hl1 h GLY 300 Ca 0.29 -0.86 0.01 0.00 0.00 0.00 0.00 47.33 46.77 3hl1 h GLY 300 CO -0.04 0.79 0.65 -1.33 0.00 0.00 0.00 176.54 176.61 3hl1 h GLY 301 N 0.89 1.38 1.01 4.60 0.00 -1.12 -0.89 103.07 108.94 3hl1 h GLY 301 Ca 0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3hl1 h GLY 301 CO 0.04 0.49 0.39 -0.55 0.00 0.00 0.00 176.54 176.92 3hl1 h ASP 302 N 1.31 0.88 -0.19 0.19 3.32 -0.44 -1.24 116.42 120.25 3hl1 h ASP 302 Ca 0.36 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3hl1 h ASP 302 Cb -0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3hl1 h ASP 302 CO -0.08 0.72 -0.04 0.40 -1.72 0.00 0.00 179.24 178.51 3hl1 h ILE 303 N 0.97 1.28 -0.83 0.35 2.04 -0.78 -2.53 117.51 118.02 3hl1 h ILE 303 Ca 0.25 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3hl1 h ILE 303 Cb 0.03 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3hl1 h ILE 303 CO -0.04 0.30 0.50 0.25 0.00 0.00 0.00 178.15 179.17 3hl1 h LEU 304 N 0.08 0.98 -0.85 1.44 5.85 -1.14 -2.76 115.31 118.92 3hl1 h LEU 304 Ca 0.05 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3hl1 h LEU 304 Cb 0.48 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3hl1 h LEU 304 CO 0.02 0.75 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.44 3hl1 h SER 305 N 1.13 0.69 0.07 1.25 0.87 -1.10 -0.52 113.55 115.95 3hl1 h SER 305 Ca 0.30 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3hl1 h SER 305 Cb -0.06 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 3hl1 h SER 305 CO -0.06 0.85 -0.24 0.00 -0.53 0.00 0.00 176.83 176.85 3hl1 h TRP 307 N -0.42 0.34 -0.47 0.00 -0.00 -1.25 -0.34 115.95 113.81 3hl1 h TRP 307 Ca 0.04 0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.02 3hl1 h TRP 307 Cb 0.46 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.50 3hl1 h TRP 307 CO -0.25 0.18 0.32 0.87 -0.00 0.00 0.00 178.44 179.57 3hl1 h LYS 308 N 0.38 0.32 -0.09 0.49 1.57 -0.95 -1.37 116.57 116.92 3hl1 h LYS 308 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3hl1 h LYS 308 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3hl1 h LYS 308 CO -0.10 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.27 3hl1 n LEU 309 N -4.47 1.03 -0.21 2.94 4.77 -0.64 -4.93 117.00 115.49 3hl1 n LEU 309 Ca 0.07 -0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 55.60 3hl1 n LEU 309 Cb 0.30 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3hl1 n LEU 309 CO 0.35 0.21 -0.02 0.61 -1.33 0.00 0.00 177.39 177.20 3hl1 n GLY 310 N 1.01 0.42 3.26 -0.72 0.00 -0.52 -4.59 105.19 104.05 3hl1 n GLY 310 Ca 0.16 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.10 2.34 0.17 4.61 0.00 -0.21 -1.39 121.76 125.19 3hl1 s ALA 311 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 3hl1 s ALA 311 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 3hl1 s ALA 311 CO 0.00 0.21 1.46 0.08 0.00 0.00 0.00 175.76 177.51 3hl1 s VAL 312 N 0.45 2.91 0.24 0.00 1.01 -0.29 -2.81 120.40 121.91 3hl1 s VAL 312 Ca -0.14 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 3hl1 s VAL 312 Cb -0.17 -3.44 -0.16 0.00 0.00 0.00 0.00 36.38 32.62 3hl1 s VAL 312 CO 0.06 0.07 0.79 -2.65 0.00 0.00 0.00 175.10 173.37 3hl1 n PRO 313 N 3.51 0.71 -4.11 2.72 -0.02 -1.26 -4.84 135.00 131.70 3hl1 n PRO 313 Ca 0.11 0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.69 3hl1 n PRO 313 Cb 0.40 -1.46 -0.12 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.22 0.55 0.00 -0.52 3.52 -1.26 -4.97 118.95 115.04 3hl1 s ARG 314 Ca 0.62 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3hl1 s ARG 314 Cb -0.82 -0.39 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 3hl1 s ARG 314 CO 0.58 0.09 0.30 0.66 -0.81 0.00 0.00 175.30 176.11 3hl1 n TYR 315 N 1.86 0.00 -1.51 5.12 4.02 -1.26 -4.03 117.16 121.37 3hl1 n TYR 315 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 3hl1 n TYR 315 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 3hl1 n TYR 315 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72