#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm2 n GLN 4 N 0.00 0.08 0.04 1.61 6.02 -1.26 -3.61 117.38 120.27 3hm2 n GLN 4 Ca 0.00 0.39 -0.03 0.00 -0.01 0.00 0.00 57.00 57.35 3hm2 n GLN 4 Cb 0.00 -1.68 -0.01 0.00 1.02 0.00 0.00 30.24 29.57 3hm2 n GLN 4 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3hm2 h LEU 5 N 0.00 -0.21 -1.63 1.08 5.85 -2.06 -0.44 115.31 117.91 3hm2 h LEU 5 Ca 0.00 0.02 0.37 0.00 0.84 0.00 0.00 57.88 59.11 3hm2 h LEU 5 Cb 0.23 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 3hm2 h LEU 5 CO 0.00 -0.10 0.86 0.00 -0.34 0.00 0.00 178.44 178.86 3hm2 h THR 6 N -0.15 0.31 -0.07 1.05 1.03 -2.00 2.51 112.91 115.58 3hm2 h THR 6 Ca -0.01 -0.05 -0.07 0.00 -0.01 0.00 0.00 66.41 66.27 3hm2 h THR 6 Cb 0.13 0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 67.35 3hm2 h THR 6 CO -0.01 0.03 -0.30 0.11 -0.01 0.00 0.00 175.52 175.34 3hm2 h LYS 7 N 0.15 0.13 -0.50 0.00 1.57 -1.52 -1.88 116.57 114.52 3hm2 h LYS 7 Ca 0.69 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 59.32 3hm2 h LYS 7 Cb 2.30 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.58 3hm2 h LYS 7 CO -0.22 0.42 -0.13 0.37 -0.57 0.00 0.00 179.45 179.32 3hm2 h GLN 8 N 0.12 0.94 -0.25 3.15 4.15 0.60 -2.52 115.11 121.29 3hm2 h GLN 8 Ca 0.02 -0.35 -0.19 0.00 0.77 0.00 0.00 58.65 58.90 3hm2 h GLN 8 Cb 0.59 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3hm2 h GLN 8 CO 0.04 1.01 -0.60 0.45 -1.93 0.00 0.00 178.83 177.81 3hm2 h HIS 9 N 0.84 1.04 -0.05 3.99 -0.00 -1.22 -1.27 115.15 118.47 3hm2 h HIS 9 Ca 0.13 -0.39 0.02 0.00 -0.00 0.00 0.00 60.37 60.13 3hm2 h HIS 9 Cb 0.68 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3hm2 h HIS 9 CO 0.04 1.21 -0.05 0.28 -0.00 0.00 0.00 177.93 179.41 3hm2 h VAL 10 N 0.61 0.84 -0.45 2.45 2.07 -1.27 -2.17 116.25 118.33 3hm2 h VAL 10 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 3hm2 h VAL 10 Cb 1.20 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3hm2 h VAL 10 CO 0.13 0.00 -0.24 0.03 0.02 0.00 0.00 177.57 177.51 3hm2 h ARG 11 N -0.07 0.96 -0.97 1.57 3.08 -1.41 -2.30 114.38 115.24 3hm2 h ARG 11 Ca 0.04 -0.43 0.22 0.00 0.07 0.00 0.00 59.98 59.89 3hm2 h ARG 11 Cb 0.13 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 3hm2 h ARG 11 CO -0.10 1.09 0.63 0.00 -1.07 0.00 0.00 179.97 180.53 3hm2 h ALA 12 N 0.84 2.12 0.03 0.04 0.00 -1.00 -1.80 119.26 119.50 3hm2 h ALA 12 Ca 0.10 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hm2 h ALA 12 Cb 0.82 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hm2 h ALA 12 CO 0.07 -0.46 -0.45 -0.07 0.00 0.00 0.00 179.25 178.34 3hm2 h LEU 13 N 0.47 0.34 -0.64 0.00 3.38 -0.86 -3.15 115.31 114.85 3hm2 h LEU 13 Ca 0.53 -0.84 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3hm2 h LEU 13 Cb 1.24 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3hm2 h LEU 13 CO -0.25 1.14 0.39 0.00 0.09 0.00 0.00 178.44 179.81 3hm2 h ALA 14 N 0.20 0.83 -0.73 1.53 0.00 -1.11 -2.21 119.26 117.77 3hm2 h ALA 14 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hm2 h ALA 14 Cb 1.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3hm2 h ALA 14 CO 0.09 0.13 0.32 0.82 0.00 0.00 0.00 179.25 180.60 3hm2 h ILE 15 N 0.76 1.24 0.27 0.00 1.08 -1.44 0.48 117.51 119.90 3hm2 h ILE 15 Ca 0.26 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3hm2 h ILE 15 Cb 0.04 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 3hm2 h ILE 15 CO -0.11 0.30 -0.38 -1.28 -0.69 0.00 0.00 178.15 175.98 3hm2 h SER 16 N 1.03 -1.07 -0.48 1.72 0.87 -1.44 2.21 113.55 116.39 3hm2 h SER 16 Ca 0.25 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 3hm2 h SER 16 Cb 0.17 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3hm2 h SER 16 CO -0.03 -0.50 0.20 0.00 -0.53 0.00 0.00 176.83 175.97 3hm2 h ALA 17 N -0.25 1.35 0.03 6.23 0.00 -1.15 -1.79 119.26 123.67 3hm2 h ALA 17 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hm2 h ALA 17 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hm2 h ALA 17 CO -0.13 0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 179.52 3hm2 h LEU 18 N 0.76 -0.03 -2.50 0.00 3.38 0.28 -3.46 115.31 113.73 3hm2 h LEU 18 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3hm2 h LEU 18 Cb 0.18 0.01 0.06 0.00 0.09 0.00 0.00 40.66 40.99 3hm2 h LEU 18 CO -0.01 0.09 -0.27 0.00 0.09 0.00 0.00 178.44 178.34 3hm2 n ALA 19 N -2.17 -2.27 -0.97 1.53 0.00 0.75 -4.85 120.51 112.53 3hm2 n ALA 19 Ca -0.08 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 3hm2 n ALA 19 Cb 0.09 -2.62 0.14 0.00 0.00 0.00 0.00 19.45 17.06 3hm2 n ALA 19 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hm2 s PRO 20 N -3.43 1.48 0.14 0.00 0.02 -1.26 -5.05 135.00 126.90 3hm2 s PRO 20 Ca 0.14 1.62 0.10 0.00 0.02 0.00 0.00 61.00 62.89 3hm2 s PRO 20 Cb -0.02 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.69 3hm2 s PRO 20 CO 0.62 -2.30 -0.24 0.15 -0.33 0.00 0.00 177.00 174.90 3hm2 s LYS 21 N -4.39 1.35 0.10 5.54 1.02 -1.26 -5.09 119.74 117.02 3hm2 s LYS 21 Ca 0.70 -1.35 -0.35 0.00 0.02 0.00 0.00 55.97 54.98 3hm2 s LYS 21 Cb -0.25 -1.70 -0.14 0.00 -0.52 0.00 0.00 37.83 35.21 3hm2 s LYS 21 CO 0.53 0.39 1.55 -0.35 -0.92 0.00 0.00 175.35 176.55 3hm2 n PRO 22 N 0.72 1.85 -1.75 -1.68 -0.04 -1.26 -1.21 135.00 131.64 3hm2 n PRO 22 Ca -0.16 0.67 -0.12 0.00 -0.04 0.00 0.00 63.50 63.84 3hm2 n PRO 22 Cb 0.54 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 3hm2 n PRO 22 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hm2 n HIS 23 N 3.54 -0.26 -3.50 0.54 8.25 -1.03 -4.90 115.22 117.86 3hm2 n HIS 23 Ca 0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.29 3hm2 n HIS 23 Cb 0.26 -2.46 -0.06 0.00 1.12 0.00 0.00 29.99 28.85 3hm2 n HIS 23 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3hm2 s GLU 24 N -3.74 3.86 0.00 -0.41 2.12 -0.35 -4.86 118.70 115.33 3hm2 s GLU 24 Ca 0.00 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.45 3hm2 s GLU 24 Cb 0.00 -3.03 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 3hm2 s GLU 24 CO 0.00 0.57 0.56 0.99 -0.54 0.00 0.00 175.26 176.84 3hm2 s THR 25 N -1.34 4.90 -0.05 -1.70 2.01 -1.26 -2.04 115.64 116.16 3hm2 s THR 25 Ca 0.32 1.17 0.05 0.00 0.31 0.00 0.00 61.69 63.54 3hm2 s THR 25 Cb -0.15 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 3hm2 s THR 25 CO 0.17 0.46 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.15 3hm2 s LEU 26 N -0.42 2.43 -0.36 4.42 2.96 -0.45 -2.27 118.68 124.99 3hm2 s LEU 26 Ca 0.29 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3hm2 s LEU 26 Cb -0.18 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.12 3hm2 s LEU 26 CO 0.17 0.30 0.11 0.26 -1.32 0.00 0.00 176.35 175.86 3hm2 s TRP 27 N -0.45 3.43 -0.51 5.38 0.52 -0.75 0.20 118.94 126.76 3hm2 s TRP 27 Ca 0.05 -2.13 -0.18 0.00 0.02 0.00 0.00 56.10 53.87 3hm2 s TRP 27 Cb -0.12 -2.67 0.08 0.00 -1.15 0.00 0.00 33.47 29.61 3hm2 s TRP 27 CO 0.01 -0.88 0.54 0.34 0.02 0.00 0.00 176.95 176.99 3hm2 s ASP 28 N 1.52 6.19 0.00 2.95 2.15 -0.02 -1.37 116.67 128.09 3hm2 s ASP 28 Ca 0.02 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.79 3hm2 s ASP 28 Cb -0.21 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3hm2 s ASP 28 CO -0.02 -0.83 1.52 -0.38 -0.17 0.00 0.00 175.17 175.28 3hm2 n ILE 29 N 5.43 1.52 0.00 4.11 5.41 -0.81 -1.73 119.36 133.28 3hm2 n ILE 29 Ca -0.10 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3hm2 n ILE 29 Cb 0.44 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 3hm2 n ILE 29 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3hm2 n SER 33 N 1.27 0.00 0.00 4.38 3.41 -1.26 -3.64 113.62 117.78 3hm2 n SER 33 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hm2 n SER 33 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hm2 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hm2 n GLY 34 N -0.07 0.73 0.47 5.00 0.00 -1.26 -4.54 105.19 105.51 3hm2 n GLY 34 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3hm2 n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hm2 h SER 35 N 0.00 -1.63 0.23 1.61 0.02 -2.00 -1.43 113.55 110.36 3hm2 h SER 35 Ca 0.00 0.19 -0.34 0.00 -0.84 0.00 0.00 61.79 60.79 3hm2 h SER 35 Cb 0.00 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3hm2 h SER 35 CO 0.00 -0.51 -1.83 0.40 -1.14 0.00 0.00 176.83 173.75 3hm2 h ILE 36 N -0.64 0.82 -0.02 3.27 1.08 -1.97 0.53 117.51 120.57 3hm2 h ILE 36 Ca 0.02 -2.50 0.02 0.00 -0.39 0.00 0.00 64.86 62.02 3hm2 h ILE 36 Cb 0.71 2.61 -0.06 0.00 -3.07 0.00 0.00 36.82 37.01 3hm2 h ILE 36 CO -0.37 0.83 -0.54 0.00 -0.69 0.00 0.00 178.15 177.38 3hm2 h ALA 37 N 0.25 -0.94 -0.21 1.87 0.00 -1.95 1.49 119.26 119.76 3hm2 h ALA 37 Ca -0.36 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.51 3hm2 h ALA 37 Cb 2.05 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 20.73 3hm2 h ALA 37 CO 0.13 -1.11 -0.52 0.82 0.00 0.00 0.00 179.25 178.56 3hm2 h ILE 38 N -0.66 0.03 -0.20 0.00 5.03 -1.28 -1.96 117.51 118.46 3hm2 h ILE 38 Ca 0.01 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.80 3hm2 h ILE 38 Cb 0.71 0.03 -0.04 0.00 -3.03 0.00 0.00 36.82 34.49 3hm2 h ILE 38 CO -0.37 0.00 -0.07 -0.08 -0.68 0.00 0.00 178.15 176.95 3hm2 h GLU 39 N -0.52 -0.04 -0.85 2.37 4.81 -0.55 0.86 114.58 120.67 3hm2 h GLU 39 Ca 0.06 0.00 0.33 0.00 -0.13 0.00 0.00 59.36 59.61 3hm2 h GLU 39 Cb 0.65 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.89 3hm2 h GLU 39 CO -0.48 -0.02 0.35 1.87 -0.73 0.00 0.00 179.01 180.00 3hm2 n TRP 40 N -5.23 0.88 0.41 0.92 -0.00 0.51 -2.00 117.44 112.94 3hm2 n TRP 40 Ca -0.02 1.01 0.12 0.00 -0.00 0.00 0.00 57.50 58.60 3hm2 n TRP 40 Cb 0.15 -1.35 0.12 0.00 -0.00 0.00 0.00 31.31 30.23 3hm2 n TRP 40 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3hm2 h LEU 41 N 0.00 0.00 0.00 5.87 3.38 0.15 -3.37 115.31 121.35 3hm2 h LEU 41 Ca 0.67 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 58.35 3hm2 h LEU 41 Cb 1.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 3hm2 h LEU 41 CO -0.69 0.07 -1.13 -1.14 0.09 0.00 0.00 178.44 175.64 3hm2 n ARG 42 N -2.34 0.52 -0.16 1.13 0.63 -0.85 -4.88 116.66 110.72 3hm2 n ARG 42 Ca 0.02 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 3hm2 n ARG 42 Cb 0.48 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.73 3hm2 n ARG 42 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3hm2 n SER 43 N -4.48 3.22 -2.38 6.15 3.41 -1.19 -5.12 113.62 113.22 3hm2 n SER 43 Ca -0.24 -1.84 -0.01 0.00 -0.26 0.00 0.00 58.87 56.52 3hm2 n SER 43 Cb 0.54 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 3hm2 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hm2 n GLN 46 N 0.98 0.22 -3.60 4.33 1.13 -1.26 -5.02 117.38 114.15 3hm2 n GLN 46 Ca 0.00 -0.10 -0.20 0.00 -1.94 0.00 0.00 57.00 54.75 3hm2 n GLN 46 Cb 0.41 -1.54 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 3hm2 n GLN 46 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hm2 s THR 47 N 2.65 4.57 0.28 5.09 -4.23 -1.26 -2.46 115.64 120.27 3hm2 s THR 47 Ca 0.07 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.74 3hm2 s THR 47 Cb 0.03 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 3hm2 s THR 47 CO 0.00 -0.26 -0.08 0.42 -0.54 0.00 0.00 174.62 174.16 3hm2 s THR 48 N -2.15 1.78 -0.02 3.99 -4.23 -0.86 -4.88 115.64 109.27 3hm2 s THR 48 Ca 0.41 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3hm2 s THR 48 Cb -0.09 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.34 3hm2 s THR 48 CO 0.31 -0.33 0.05 0.00 -0.54 0.00 0.00 174.62 174.11 3hm2 s ALA 49 N -2.92 -0.08 -0.20 3.99 0.00 -1.12 -1.34 121.76 120.08 3hm2 s ALA 49 Ca 0.29 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 3hm2 s ALA 49 Cb 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3hm2 s ALA 49 CO 0.12 -0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.80 3hm2 s VAL 50 N 0.28 2.73 -0.12 0.00 1.01 0.13 -1.75 120.40 122.68 3hm2 s VAL 50 Ca -0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 3hm2 s VAL 50 Cb -0.03 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3hm2 s VAL 50 CO -0.01 0.46 0.18 0.00 0.00 0.00 0.00 175.10 175.73 3hm2 s PHE 52 N -0.79 2.87 -0.19 0.00 0.40 -0.71 0.22 117.98 119.79 3hm2 s PHE 52 Ca 0.15 -0.88 -0.04 0.00 -0.60 0.00 0.00 56.93 55.56 3hm2 s PHE 52 Cb -0.12 -1.96 0.08 0.00 0.51 0.00 0.00 43.02 41.52 3hm2 s PHE 52 CO 0.04 -0.41 0.14 -2.00 0.70 0.00 0.00 175.22 173.69 3hm2 s GLU 53 N 0.91 0.12 0.36 0.44 2.56 0.17 -4.75 118.70 118.50 3hm2 s GLU 53 Ca -0.02 -0.01 0.15 0.00 0.00 0.00 0.00 54.97 55.08 3hm2 s GLU 53 Cb -0.15 -1.56 1.03 0.00 2.00 0.00 0.00 34.13 35.46 3hm2 s GLU 53 CO -0.00 -0.69 1.72 0.82 -0.56 0.00 0.00 175.26 176.55 3hm2 h ILE 54 N 6.38 0.46 -3.35 -3.70 2.04 -1.85 -3.01 117.51 114.48 3hm2 h ILE 54 Ca -0.16 -0.15 -0.55 0.00 1.00 0.00 0.00 64.86 65.00 3hm2 h ILE 54 Cb 1.14 -0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3hm2 h ILE 54 CO 0.30 0.08 0.97 -0.55 0.00 0.00 0.00 178.15 178.95 3hm2 s SER 55 N -5.11 6.49 0.23 1.72 0.15 -1.26 -4.66 113.70 111.27 3hm2 s SER 55 Ca -0.10 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 56.74 3hm2 s SER 55 Cb 0.27 -2.55 0.40 0.00 -1.71 0.00 0.00 66.02 62.43 3hm2 s SER 55 CO 0.80 -1.42 1.74 -0.33 1.20 0.00 0.00 173.24 175.22 3hm2 h GLU 56 N 9.54 0.44 0.00 5.44 5.08 -1.98 1.02 114.58 134.13 3hm2 h GLU 56 Ca -0.24 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3hm2 h GLU 56 Cb 1.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3hm2 h GLU 56 CO 1.17 0.29 -0.34 1.49 -1.00 0.00 0.00 179.01 180.62 3hm2 h GLU 57 N 0.45 0.00 0.07 2.33 4.57 -1.97 0.24 114.58 120.27 3hm2 h GLU 57 Ca 0.38 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.23 3hm2 h GLU 57 Cb 0.53 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3hm2 h GLU 57 CO -0.37 0.34 -1.86 0.54 -1.18 0.00 0.00 179.01 176.48 3hm2 n ARG 58 N -3.28 0.70 0.09 1.92 1.74 -1.07 -3.25 116.66 113.50 3hm2 n ARG 58 Ca 0.02 0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 3hm2 n ARG 58 Cb 0.60 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 3hm2 n ARG 58 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hm2 h ARG 59 N 0.04 -0.45 -1.73 5.56 2.43 0.13 0.61 114.38 120.96 3hm2 h ARG 59 Ca -0.36 0.03 0.53 0.00 -0.81 0.00 0.00 59.98 59.38 3hm2 h ARG 59 Cb 2.03 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 31.57 3hm2 h ARG 59 CO 0.09 -0.30 1.20 0.93 -1.51 0.00 0.00 179.97 180.37 3hm2 h GLU 60 N -0.47 0.00 0.22 0.20 5.08 -0.67 -1.58 114.58 117.36 3hm2 h GLU 60 Ca -0.01 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 3hm2 h GLU 60 Cb 0.46 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.74 3hm2 h GLU 60 CO -0.14 0.00 -1.30 0.00 -1.00 0.00 0.00 179.01 176.57 3hm2 h ARG 61 N 0.00 0.46 -0.48 2.33 3.08 0.01 -2.95 114.38 116.83 3hm2 h ARG 61 Ca 0.92 -0.78 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3hm2 h ARG 61 Cb 3.39 0.29 -0.02 0.00 0.08 0.00 0.00 29.97 33.71 3hm2 h ARG 61 CO -0.21 1.37 -0.10 0.82 -1.07 0.00 0.00 179.97 180.79 3hm2 h ILE 62 N -0.02 1.26 -0.49 2.04 2.04 0.65 -0.65 117.51 122.34 3hm2 h ILE 62 Ca -0.23 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.34 3hm2 h ILE 62 Cb 2.00 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3hm2 h ILE 62 CO 0.23 0.42 -0.03 0.25 0.00 0.00 0.00 178.15 179.02 3hm2 h LEU 63 N 0.79 0.89 -0.59 1.44 5.85 -1.66 0.23 115.31 122.25 3hm2 h LEU 63 Ca 0.13 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.62 3hm2 h LEU 63 Cb 0.62 -0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 3hm2 h LEU 63 CO 0.04 1.00 -0.41 -1.28 -0.34 0.00 0.00 178.44 177.44 3hm2 h SER 64 N 0.75 -1.43 -0.33 1.25 0.87 -1.27 -0.79 113.55 112.60 3hm2 h SER 64 Ca 0.14 0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 3hm2 h SER 64 Cb 0.56 0.66 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3hm2 h SER 64 CO 0.03 -0.33 0.09 0.78 -0.53 0.00 0.00 176.83 176.88 3hm2 h ASN 65 N -0.21 0.49 -0.95 6.23 -0.26 -0.89 -0.33 115.58 119.65 3hm2 h ASN 65 Ca 0.19 -0.22 0.12 0.00 -0.56 0.00 0.00 56.30 55.84 3hm2 h ASN 65 Cb 0.56 -0.13 -0.08 0.00 -1.06 0.00 0.00 38.32 37.62 3hm2 h ASN 65 CO -0.70 0.57 0.61 0.00 -1.06 0.00 0.00 177.43 176.86 3hm2 h ALA 66 N 0.93 1.61 0.30 -0.83 0.00 -0.23 0.17 119.26 121.21 3hm2 h ALA 66 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hm2 h ALA 66 Cb 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hm2 h ALA 66 CO -0.00 0.16 -0.14 0.82 0.00 0.00 0.00 179.25 180.09 3hm2 h ILE 67 N 0.91 0.44 -0.94 0.00 2.04 -1.06 0.35 117.51 119.26 3hm2 h ILE 67 Ca 0.47 -0.82 0.25 0.00 1.00 0.00 0.00 64.86 65.76 3hm2 h ILE 67 Cb 0.51 0.73 -0.17 0.00 -0.74 0.00 0.00 36.82 37.15 3hm2 h ILE 67 CO -0.23 0.11 0.05 0.78 0.00 0.00 0.00 178.15 178.86 3hm2 h ASN 68 N -0.98 -0.40 0.00 1.72 2.35 -0.77 -2.46 115.58 115.04 3hm2 h ASN 68 Ca -0.04 0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hm2 h ASN 68 Cb 0.48 0.44 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3hm2 h ASN 68 CO 0.07 -0.30 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.47 3hm2 h LEU 69 N 0.05 -0.00 0.00 1.61 -0.00 -0.73 -3.49 115.31 112.74 3hm2 h LEU 69 Ca 0.56 -0.75 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3hm2 h LEU 69 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 3hm2 h LEU 69 CO -0.85 0.87 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 3hm2 n GLY 70 N 1.63 0.96 2.41 0.83 0.00 0.11 -5.05 105.19 106.08 3hm2 n GLY 70 Ca -0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3hm2 n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hm2 n VAL 71 N 0.00 1.90 -0.02 1.61 0.31 -0.21 -4.99 118.33 116.93 3hm2 n VAL 71 Ca 0.00 -3.56 -0.16 0.00 -0.01 0.00 0.00 64.34 60.60 3hm2 n VAL 71 Cb 0.00 0.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.91 3hm2 n VAL 71 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hm2 h SER 72 N 2.38 0.55 0.00 4.52 4.64 -1.90 0.57 113.55 124.32 3hm2 h SER 72 Ca 0.12 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3hm2 h SER 72 Cb 1.41 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hm2 h SER 72 CO 0.47 1.15 0.00 0.47 -0.87 0.00 0.00 176.83 178.05 3hm2 n ASP 73 N -4.26 0.87 -0.00 4.97 8.00 -1.26 -2.12 116.55 122.74 3hm2 n ASP 73 Ca -0.09 -1.99 0.03 0.00 0.71 0.00 0.00 54.79 53.45 3hm2 n ASP 73 Cb 0.60 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3hm2 n ASP 73 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hm2 n ARG 74 N -0.06 3.67 -4.36 -1.24 1.74 0.15 -5.01 116.66 111.55 3hm2 n ARG 74 Ca 0.00 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 3hm2 n ARG 74 Cb 0.22 -0.90 -0.09 0.00 -1.02 0.00 0.00 32.46 30.67 3hm2 n ARG 74 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3hm2 s ILE 75 N -1.83 4.23 -0.27 0.55 2.07 -0.90 -2.80 121.20 122.25 3hm2 s ILE 75 Ca 0.01 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 3hm2 s ILE 75 Cb 0.05 -2.81 0.07 0.00 0.13 0.00 0.00 42.46 39.90 3hm2 s ILE 75 CO 0.27 0.53 -0.01 0.00 -1.91 0.00 0.00 174.94 173.82 3hm2 s ALA 76 N -0.94 2.16 -0.61 1.50 0.00 -0.72 -4.93 121.76 118.22 3hm2 s ALA 76 Ca 0.15 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.14 3hm2 s ALA 76 Cb -0.11 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.45 3hm2 s ALA 76 CO 0.05 -1.37 1.19 0.08 0.00 0.00 0.00 175.76 175.71 3hm2 s VAL 77 N 1.29 3.99 0.87 0.00 1.01 -1.26 -0.92 120.40 125.38 3hm2 s VAL 77 Ca -0.00 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 3hm2 s VAL 77 Cb -0.19 -4.75 0.15 0.00 0.00 0.00 0.00 36.38 31.59 3hm2 s VAL 77 CO -0.09 -1.42 1.22 -1.10 0.00 0.00 0.00 175.10 173.71 3hm2 s GLN 78 N 5.04 1.19 0.00 2.72 -1.52 0.61 -4.93 119.66 122.76 3hm2 s GLN 78 Ca 0.41 -0.39 0.00 0.00 -1.95 0.00 0.00 55.36 53.43 3hm2 s GLN 78 Cb -0.08 -1.96 0.00 0.00 -0.22 0.00 0.00 33.01 30.75 3hm2 s GLN 78 CO 0.23 -2.01 0.00 1.04 -0.25 0.00 0.00 175.29 174.30 3hm2 n GLN 79 N -3.47 0.68 -2.02 2.91 6.02 -1.26 -1.18 117.38 119.06 3hm2 n GLN 79 Ca 0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 3hm2 n GLN 79 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 3hm2 n GLN 79 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3hm2 s GLY 80 N -2.14 2.89 0.69 1.08 0.00 -1.14 -0.66 107.32 108.05 3hm2 s GLY 80 Ca 0.00 1.21 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 3hm2 s GLY 80 CO 0.00 1.76 1.02 0.00 0.00 0.00 0.00 173.10 175.88 3hm2 s ALA 81 N -1.32 3.10 -1.66 3.20 0.00 -1.26 -1.09 121.76 122.74 3hm2 s ALA 81 Ca 0.61 -0.78 0.27 0.00 0.00 0.00 0.00 51.96 52.06 3hm2 s ALA 81 Cb -0.37 -2.69 0.84 0.00 0.00 0.00 0.00 23.12 20.90 3hm2 s ALA 81 CO 0.47 -1.21 1.62 -2.30 0.00 0.00 0.00 175.76 174.33 3hm2 n PRO 82 N -2.90 0.72 -0.36 0.00 -0.02 -1.26 -4.74 135.00 126.43 3hm2 n PRO 82 Ca 0.07 -0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.13 3hm2 n PRO 82 Cb 0.59 -1.49 0.01 0.00 -0.02 0.00 0.00 33.50 32.60 3hm2 n PRO 82 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3hm2 h ARG 83 N 0.95 -0.03 0.00 -0.52 2.43 -1.97 -0.42 114.38 114.83 3hm2 h ARG 83 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hm2 h ARG 83 Cb 0.48 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3hm2 h ARG 83 CO 0.00 -0.02 -0.01 0.00 -1.51 0.00 0.00 179.97 178.43 3hm2 h ALA 84 N 1.17 1.05 -0.57 2.80 0.00 -1.40 -3.13 119.26 119.17 3hm2 h ALA 84 Ca 0.30 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3hm2 h ALA 84 Cb 0.56 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 3hm2 h ALA 84 CO -0.94 0.01 -0.21 0.74 0.00 0.00 0.00 179.25 178.85 3hm2 h PHE 85 N 0.00 -0.52 -0.06 0.00 0.04 -1.31 0.12 116.94 115.21 3hm2 h PHE 85 Ca -0.00 0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3hm2 h PHE 85 Cb 0.18 0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 3hm2 h PHE 85 CO 0.00 -0.31 0.12 0.22 -0.60 0.00 0.00 178.31 177.74 3hm2 h ASP 86 N -0.07 0.00 0.79 2.17 3.58 -1.70 -2.85 116.42 118.33 3hm2 h ASP 86 Ca 0.27 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 3hm2 h ASP 86 Cb 0.48 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 3hm2 h ASP 86 CO -0.63 0.00 -0.49 0.44 -2.88 0.00 0.00 179.24 175.68 3hm2 h ASP 87 N 0.00 -1.24 -1.72 2.28 3.32 -0.96 -3.35 116.42 114.74 3hm2 h ASP 87 Ca 0.03 0.07 -0.45 0.00 0.02 0.00 0.00 57.03 56.70 3hm2 h ASP 87 Cb 0.27 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3hm2 h ASP 87 CO -0.00 -0.75 1.29 -0.69 -1.72 0.00 0.00 179.24 177.37 3hm2 s VAL 88 N -5.94 3.29 -1.10 -1.35 1.01 -1.08 -4.81 120.40 110.43 3hm2 s VAL 88 Ca -0.19 0.09 0.20 0.00 0.00 0.00 0.00 61.98 62.08 3hm2 s VAL 88 Cb 0.03 -3.76 0.20 0.00 0.00 0.00 0.00 36.38 32.85 3hm2 s VAL 88 CO 0.60 -0.74 1.63 -0.81 0.00 0.00 0.00 175.10 175.78 3hm2 n PRO 89 N 9.11 0.06 -3.32 2.72 -0.04 -1.26 -4.70 135.00 137.57 3hm2 n PRO 89 Ca 0.26 0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.49 3hm2 n PRO 89 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3hm2 n PRO 89 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hm2 s ASP 90 N -2.90 6.56 0.23 3.54 1.11 -1.26 -5.04 116.67 118.90 3hm2 s ASP 90 Ca 0.12 0.66 -0.30 0.00 0.18 0.00 0.00 52.55 53.21 3hm2 s ASP 90 Cb 0.13 -2.27 -0.09 0.00 1.07 0.00 0.00 42.92 41.76 3hm2 s ASP 90 CO 0.34 -0.08 1.17 0.20 1.18 0.00 0.00 175.17 177.99 3hm2 s ASN 91 N 0.92 7.12 0.49 0.27 0.02 -1.26 -5.02 114.94 117.48 3hm2 s ASN 91 Ca 0.23 2.29 -0.19 0.00 -1.02 0.00 0.00 52.86 54.16 3hm2 s ASN 91 Cb -0.15 -2.62 -0.08 0.00 0.02 0.00 0.00 41.25 38.42 3hm2 s ASN 91 CO 0.09 -0.31 1.01 -2.16 0.02 0.00 0.00 177.10 175.75 3hm2 s PRO 92 N -0.79 3.88 -0.04 -0.60 0.04 -1.26 -4.97 135.00 131.26 3hm2 s PRO 92 Ca 0.50 1.20 0.17 0.00 0.04 0.00 0.00 61.00 62.91 3hm2 s PRO 92 Cb -0.33 -2.12 -0.27 0.00 0.04 0.00 0.00 34.50 31.83 3hm2 s PRO 92 CO 0.40 -0.34 0.35 -0.25 0.04 0.00 0.00 177.00 177.20 3hm2 n ASP 93 N -1.12 0.99 -3.69 6.66 8.00 -1.10 -4.26 116.55 122.03 3hm2 n ASP 93 Ca 0.08 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 3hm2 n ASP 93 Cb 0.53 1.71 -0.13 0.00 -0.02 0.00 0.00 41.12 43.21 3hm2 n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hm2 s VAL 94 N -3.14 -0.24 -0.12 2.53 1.01 -0.96 -2.99 120.40 116.50 3hm2 s VAL 94 Ca -0.07 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3hm2 s VAL 94 Cb 0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3hm2 s VAL 94 CO 0.72 0.09 0.08 -0.63 0.00 0.00 0.00 175.10 175.37 3hm2 s ILE 95 N 1.89 5.02 -0.13 2.22 1.01 -1.01 -1.81 121.20 128.39 3hm2 s ILE 95 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3hm2 s ILE 95 Cb -0.11 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3hm2 s ILE 95 CO -0.08 0.59 -0.16 0.12 0.00 0.00 0.00 174.94 175.40 3hm2 s PHE 96 N -0.76 2.75 -0.36 3.97 5.36 -0.47 -1.89 117.98 126.58 3hm2 s PHE 96 Ca 0.13 -0.90 -0.06 0.00 -0.96 0.00 0.00 56.93 55.14 3hm2 s PHE 96 Cb -0.12 -1.83 0.06 0.00 -0.34 0.00 0.00 43.02 40.79 3hm2 s PHE 96 CO 0.03 -0.37 0.14 0.42 -1.46 0.00 0.00 175.22 173.98 3hm2 s ILE 97 N 0.54 3.69 -0.11 3.12 1.01 -0.67 -1.93 121.20 126.85 3hm2 s ILE 97 Ca -0.10 -1.37 0.13 0.00 0.00 0.00 0.00 60.65 59.31 3hm2 s ILE 97 Cb -0.16 -3.19 -0.19 0.00 0.01 0.00 0.00 42.46 38.92 3hm2 s ILE 97 CO 0.04 -0.32 0.12 0.61 0.00 0.00 0.00 174.94 175.40 3hm2 n GLY 98 N 4.77 -0.71 2.24 6.18 0.00 -1.26 -0.27 105.19 116.15 3hm2 n GLY 98 Ca -0.10 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 3hm2 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 99 N 1.99 -3.55 3.60 -0.02 0.00 -1.24 -4.86 105.19 101.12 3hm2 n GLY 99 Ca -0.18 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 3hm2 n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hm2 s GLY 100 N -3.07 1.12 0.00 -0.02 0.00 -1.26 -4.87 107.32 99.22 3hm2 s GLY 100 Ca 0.47 -0.16 0.28 0.00 0.00 0.00 0.00 44.72 45.31 3hm2 s GLY 100 CO 0.38 2.75 1.78 1.47 0.00 0.00 0.00 173.10 179.48 3hm2 n LEU 101 N 8.72 0.26 0.04 0.66 -0.00 -1.26 -2.70 117.00 122.72 3hm2 n LEU 101 Ca 0.16 0.23 0.12 0.00 -0.00 0.00 0.00 56.01 56.52 3hm2 n LEU 101 Cb 0.48 -0.34 0.19 0.00 -0.00 0.00 0.00 43.42 43.75 3hm2 n LEU 101 CO 0.70 0.06 0.36 0.35 -0.00 0.00 0.00 177.39 178.86 3hm2 n THR 102 N -1.35 0.22 -1.65 1.47 -2.24 -1.26 -4.53 114.28 104.94 3hm2 n THR 102 Ca 0.09 -0.18 -0.48 0.00 -2.27 0.00 0.00 64.05 61.21 3hm2 n THR 102 Cb 0.32 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 3hm2 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hm2 n ALA 103 N -1.72 0.71 -1.63 6.98 0.00 -1.10 -4.79 120.51 118.96 3hm2 n ALA 103 Ca 0.04 0.45 -0.48 0.00 0.00 0.00 0.00 53.44 53.45 3hm2 n ALA 103 Cb 0.41 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 3hm2 n ALA 103 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hm2 n PRO 104 N 3.50 1.63 0.00 0.00 -0.02 -1.26 -2.19 135.00 136.67 3hm2 n PRO 104 Ca 0.18 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3hm2 n PRO 104 Cb 0.26 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3hm2 n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hm2 n GLY 105 N 2.56 1.80 0.26 -1.23 0.00 -1.26 -4.73 105.19 102.59 3hm2 n GLY 105 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3hm2 n GLY 105 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hm2 h VAL 106 N 0.00 0.57 0.27 1.61 2.07 -1.78 -2.58 116.25 116.40 3hm2 h VAL 106 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3hm2 h VAL 106 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3hm2 h VAL 106 CO 0.00 0.01 -0.13 0.15 0.02 0.00 0.00 177.57 177.63 3hm2 h PHE 107 N -0.63 -0.33 -0.55 1.57 3.57 -1.80 -2.96 116.94 115.81 3hm2 h PHE 107 Ca -0.06 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.48 3hm2 h PHE 107 Cb 0.47 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 3hm2 h PHE 107 CO -0.04 -0.07 0.28 0.00 -2.23 0.00 0.00 178.31 176.25 3hm2 h ALA 108 N 0.11 0.71 -0.21 2.41 0.00 -1.95 -2.04 119.26 118.28 3hm2 h ALA 108 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hm2 h ALA 108 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hm2 h ALA 108 CO 0.06 -0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.43 3hm2 h ALA 109 N 1.30 1.97 0.00 0.00 0.00 -1.40 -2.39 119.26 118.74 3hm2 h ALA 109 Ca 0.24 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.82 3hm2 h ALA 109 Cb 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3hm2 h ALA 109 CO -0.17 -0.30 -2.32 0.00 0.00 0.00 0.00 179.25 176.46 3hm2 n ALA 110 N -2.44 1.62 0.30 0.00 0.00 -1.07 -4.01 120.51 114.91 3hm2 n ALA 110 Ca 0.02 -1.23 0.18 0.00 0.00 0.00 0.00 53.44 52.41 3hm2 n ALA 110 Cb 0.33 -0.21 0.91 0.00 0.00 0.00 0.00 19.45 20.47 3hm2 n ALA 110 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hm2 h TRP 111 N 0.00 0.00 -0.23 0.00 2.91 -1.06 -1.37 115.95 116.21 3hm2 h TRP 111 Ca -0.49 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.39 3hm2 h TRP 111 Cb 2.11 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.75 3hm2 h TRP 111 CO 0.00 0.04 -0.43 -0.22 -1.03 0.00 0.00 178.44 176.80 3hm2 h LYS 112 N 0.00 0.55 -0.00 2.65 3.64 -1.57 -3.14 116.57 118.70 3hm2 h LYS 112 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3hm2 h LYS 112 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3hm2 h LYS 112 CO 0.01 0.88 -0.18 0.54 -2.27 0.00 0.00 179.45 178.43 3hm2 n ARG 113 N -4.01 0.25 -3.11 1.90 5.12 -0.55 -4.77 116.66 111.48 3hm2 n ARG 113 Ca -0.02 -0.08 -0.42 0.00 -1.93 0.00 0.00 57.85 55.40 3hm2 n ARG 113 Cb 0.53 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.27 3hm2 n ARG 113 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hm2 s LEU 114 N -2.81 4.37 0.62 0.55 2.96 -1.01 -3.98 118.68 119.38 3hm2 s LEU 114 Ca 0.19 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.83 3hm2 s LEU 114 Cb 0.19 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 3hm2 s LEU 114 CO 0.56 -0.68 1.09 -0.81 -1.32 0.00 0.00 176.35 175.19 3hm2 n PRO 115 N 6.14 1.00 -1.72 0.98 -0.04 -1.26 -4.91 135.00 135.18 3hm2 n PRO 115 Ca -0.02 0.39 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 3hm2 n PRO 115 Cb 0.48 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 3hm2 n PRO 115 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hm2 n VAL 116 N -1.78 2.78 -0.10 0.52 0.31 -1.26 -1.50 118.33 117.29 3hm2 n VAL 116 Ca 0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3hm2 n VAL 116 Cb 0.47 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 3hm2 n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hm2 n GLY 117 N 0.74 2.22 3.77 2.92 0.00 -0.69 -4.99 105.19 109.16 3hm2 n GLY 117 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3hm2 n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hm2 s GLY 118 N -1.97 2.94 0.36 -0.02 0.00 -0.56 -4.76 107.32 103.31 3hm2 s GLY 118 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 44.72 45.68 3hm2 s GLY 118 CO 0.00 1.43 0.34 0.50 0.00 0.00 0.00 173.10 175.36 3hm2 s ARG 119 N -1.90 2.70 -0.19 2.90 0.52 -1.16 -1.03 118.95 120.80 3hm2 s ARG 119 Ca 0.50 -1.34 -0.09 0.00 -0.52 0.00 0.00 55.73 54.29 3hm2 s ARG 119 Cb -0.30 -2.48 0.07 0.00 0.52 0.00 0.00 34.95 32.76 3hm2 s ARG 119 CO 0.38 0.00 0.42 -1.17 0.02 0.00 0.00 175.30 174.95 3hm2 s LEU 120 N -4.06 -0.35 -0.18 2.53 2.96 -0.19 -2.41 118.68 116.99 3hm2 s LEU 120 Ca 0.44 0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 55.27 3hm2 s LEU 120 Cb -0.06 1.39 -0.02 0.00 0.50 0.00 0.00 46.19 48.00 3hm2 s LEU 120 CO 0.27 -0.21 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.36 3hm2 s VAL 121 N 1.90 3.59 -0.08 1.68 1.01 -0.79 -1.12 120.40 126.58 3hm2 s VAL 121 Ca -0.06 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3hm2 s VAL 121 Cb -0.10 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 3hm2 s VAL 121 CO -0.13 0.46 -0.24 0.00 0.00 0.00 0.00 175.10 175.19 3hm2 s ALA 122 N 0.88 2.14 -0.16 5.51 0.00 0.68 -1.67 121.76 129.14 3hm2 s ALA 122 Ca -0.01 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 3hm2 s ALA 122 Cb -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 3hm2 s ALA 122 CO 0.01 0.34 -0.00 -0.80 0.00 0.00 0.00 175.76 175.31 3hm2 s ASN 123 N 0.13 5.12 -0.07 0.00 -0.87 0.63 0.21 114.94 120.08 3hm2 s ASN 123 Ca -0.12 -0.04 0.01 0.00 -1.57 0.00 0.00 52.86 51.15 3hm2 s ASN 123 Cb -0.16 -1.82 0.02 0.00 -0.02 0.00 0.00 41.25 39.26 3hm2 s ASN 123 CO 0.07 0.19 -0.10 0.00 -2.57 0.00 0.00 177.10 174.68 3hm2 s ALA 124 N 0.27 1.20 -0.06 0.60 0.00 -0.13 -4.62 121.76 119.02 3hm2 s ALA 124 Ca -0.00 -0.40 0.15 0.00 0.00 0.00 0.00 51.96 51.71 3hm2 s ALA 124 Cb -0.13 -0.63 0.30 0.00 0.00 0.00 0.00 23.12 22.65 3hm2 s ALA 124 CO 0.02 -0.03 1.13 1.55 0.00 0.00 0.00 175.76 178.43 3hm2 n VAL 125 N 4.11 0.70 -4.22 0.00 3.14 -1.26 -1.72 118.33 119.08 3hm2 n VAL 125 Ca -0.21 -1.37 -0.13 0.00 -2.96 0.00 0.00 64.34 59.68 3hm2 n VAL 125 Cb 0.51 0.45 -0.10 0.00 -1.06 0.00 0.00 33.84 33.64 3hm2 n VAL 125 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3hm2 s THR 126 N -1.05 0.55 0.06 1.55 -4.23 -1.26 -4.99 115.64 106.28 3hm2 s THR 126 Ca 0.26 -1.96 -0.25 0.00 -1.18 0.00 0.00 61.69 58.56 3hm2 s THR 126 Cb 0.27 -2.11 -0.16 0.00 1.34 0.00 0.00 72.50 71.84 3hm2 s THR 126 CO -0.08 -0.47 1.61 0.58 -0.54 0.00 0.00 174.62 175.72 3hm2 h VAL 127 N 2.73 0.96 0.22 2.29 2.07 -1.98 -0.65 116.25 121.88 3hm2 h VAL 127 Ca -0.36 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3hm2 h VAL 127 Cb 1.20 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3hm2 h VAL 127 CO 0.62 0.06 -0.52 -0.33 0.02 0.00 0.00 177.57 177.42 3hm2 h GLU 128 N -0.24 -0.79 -0.59 1.57 3.07 -1.99 -0.97 114.58 114.64 3hm2 h GLU 128 Ca -0.01 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.93 3hm2 h GLU 128 Cb 0.20 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3hm2 h GLU 128 CO 0.02 -0.52 0.39 0.66 -1.40 0.00 0.00 179.01 178.16 3hm2 h SER 129 N -0.82 0.59 -0.51 1.42 4.64 -1.95 -1.29 113.55 115.63 3hm2 h SER 129 Ca -0.02 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 3hm2 h SER 129 Cb 0.78 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3hm2 h SER 129 CO -0.23 0.40 -0.17 -0.08 -0.87 0.00 0.00 176.83 175.88 3hm2 h GLU 130 N 0.68 1.01 -1.24 4.77 4.81 -0.92 -0.62 114.58 123.08 3hm2 h GLU 130 Ca 0.24 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3hm2 h GLU 130 Cb 0.10 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3hm2 h GLU 130 CO -0.06 1.09 0.00 1.04 -0.73 0.00 0.00 179.01 180.35 3hm2 n GLN 131 N -4.13 0.34 0.00 1.92 1.13 -0.38 -2.42 117.38 113.83 3hm2 n GLN 131 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3hm2 n GLN 131 Cb 0.44 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.51 3hm2 n GLN 131 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3hm2 n LEU 133 N 0.67 0.00 0.05 1.08 7.94 -0.24 -3.05 117.00 123.45 3hm2 n LEU 133 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3hm2 n LEU 133 Cb 0.14 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.97 3hm2 n LEU 133 CO 0.00 0.00 0.03 -0.50 -1.11 0.00 0.00 177.39 175.81 3hm2 h TRP 134 N 0.00 0.00 -0.41 1.96 4.06 -1.77 -2.99 115.95 116.80 3hm2 h TRP 134 Ca 0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 3hm2 h TRP 134 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3hm2 h TRP 134 CO 0.00 0.98 -0.30 0.00 -3.56 0.00 0.00 178.44 175.56 3hm2 h ALA 135 N 1.02 0.59 -0.31 1.49 0.00 -1.85 -2.10 119.26 118.11 3hm2 h ALA 135 Ca -0.06 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 3hm2 h ALA 135 Cb 1.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3hm2 h ALA 135 CO 0.12 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.62 3hm2 h LEU 136 N 0.76 0.80 -0.63 0.00 3.38 -1.89 -3.01 115.31 114.72 3hm2 h LEU 136 Ca 0.08 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3hm2 h LEU 136 Cb 0.89 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3hm2 h LEU 136 CO 0.08 1.11 0.31 -0.09 0.09 0.00 0.00 178.44 179.95 3hm2 h ARG 137 N 0.51 0.55 -0.42 1.13 2.43 -1.48 -0.23 114.38 116.87 3hm2 h ARG 137 Ca 0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3hm2 h ARG 137 Cb 0.89 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3hm2 h ARG 137 CO 0.08 0.37 0.23 -0.22 -1.51 0.00 0.00 179.97 178.91 3hm2 h LYS 138 N 0.57 0.59 0.07 0.20 3.64 -1.33 0.15 116.57 120.46 3hm2 h LYS 138 Ca 0.29 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3hm2 h LYS 138 Cb 0.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hm2 h LYS 138 CO -0.22 0.48 -0.03 0.37 -2.27 0.00 0.00 179.45 177.78 3hm2 h GLN 139 N 0.54 -0.09 0.00 1.90 4.15 -1.36 -3.39 115.11 116.86 3hm2 h GLN 139 Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3hm2 h GLN 139 Cb 0.06 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3hm2 h GLN 139 CO -0.02 0.46 -1.58 1.19 -1.93 0.00 0.00 178.83 176.95 3hm2 n PHE 140 N -4.84 0.04 -0.28 3.99 3.72 -0.12 -5.09 117.46 114.88 3hm2 n PHE 140 Ca -0.08 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3hm2 n PHE 140 Cb 0.30 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3hm2 n PHE 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hm2 n GLY 141 N 1.35 0.20 3.77 1.37 0.00 0.53 -4.76 105.19 107.64 3hm2 n GLY 141 Ca -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3hm2 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 142 N 0.00 -2.25 3.09 -0.02 0.00 -1.26 -4.31 105.19 100.45 3hm2 n GLY 142 Ca 0.00 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 3hm2 n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hm2 s THR 143 N -0.35 1.19 -0.17 2.61 2.01 0.17 -4.96 115.64 116.14 3hm2 s THR 143 Ca 0.00 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 3hm2 s THR 143 Cb 0.00 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3hm2 s THR 143 CO 0.00 0.35 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.59 3hm2 s ILE 144 N 0.02 3.55 0.20 1.82 1.01 -1.26 -1.24 121.20 125.29 3hm2 s ILE 144 Ca -0.02 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.22 3hm2 s ILE 144 Cb -0.10 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 3hm2 s ILE 144 CO 0.01 0.48 -0.11 -0.44 0.00 0.00 0.00 174.94 174.88 3hm2 s SER 145 N 0.67 2.26 -0.02 3.58 0.01 -1.10 -5.00 113.70 114.11 3hm2 s SER 145 Ca -0.03 -1.06 -0.07 0.00 1.31 0.00 0.00 55.95 56.10 3hm2 s SER 145 Cb -0.15 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.01 3hm2 s SER 145 CO 0.02 -0.28 0.15 -0.94 0.41 0.00 0.00 173.24 172.60 3hm2 s SER 146 N -3.28 -0.04 -0.16 2.44 1.04 -1.26 -1.30 113.70 111.14 3hm2 s SER 146 Ca 0.22 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3hm2 s SER 146 Cb 0.01 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.40 3hm2 s SER 146 CO 0.06 -0.27 -0.21 -0.36 0.98 0.00 0.00 173.24 173.44 3hm2 s PHE 147 N -0.92 2.71 -0.77 5.02 0.08 -0.96 -5.01 117.98 118.14 3hm2 s PHE 147 Ca -0.10 -1.51 -0.11 0.00 0.12 0.00 0.00 56.93 55.33 3hm2 s PHE 147 Cb -0.06 -1.87 0.20 0.00 -0.57 0.00 0.00 43.02 40.73 3hm2 s PHE 147 CO 0.01 -0.73 0.68 0.00 -0.10 0.00 0.00 175.22 175.08 3hm2 s ALA 148 N 1.10 3.94 -0.21 5.36 0.00 -1.26 -3.25 121.76 127.45 3hm2 s ALA 148 Ca 0.00 -3.30 -0.16 0.00 0.00 0.00 0.00 51.96 48.50 3hm2 s ALA 148 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3hm2 s ALA 148 CO -0.08 -2.23 0.42 0.42 0.00 0.00 0.00 175.76 174.28 3hm2 s ILE 149 N 0.12 5.18 0.38 0.00 1.09 -1.26 -4.99 121.20 121.72 3hm2 s ILE 149 Ca 0.17 0.74 0.05 0.00 -1.10 0.00 0.00 60.65 60.51 3hm2 s ILE 149 Cb -0.13 -3.75 -0.07 0.00 -1.06 0.00 0.00 42.46 37.46 3hm2 s ILE 149 CO -0.07 0.23 0.04 -0.44 -0.10 0.00 0.00 174.94 174.60 3hm2 s SER 150 N 1.11 3.12 0.01 3.58 0.01 -1.26 -0.38 113.70 119.89 3hm2 s SER 150 Ca 0.20 -1.41 -0.08 0.00 1.31 0.00 0.00 55.95 55.97 3hm2 s SER 150 Cb -0.15 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3hm2 s SER 150 CO 0.08 -0.58 0.15 -1.00 0.41 0.00 0.00 173.24 172.31 3hm2 s HIS 151 N -3.03 0.06 0.11 2.43 3.76 -0.88 -4.93 115.29 112.81 3hm2 s HIS 151 Ca 0.33 -0.21 -0.31 0.00 -0.15 0.00 0.00 55.06 54.73 3hm2 s HIS 151 Cb 0.09 -0.06 -0.08 0.00 1.11 0.00 0.00 32.58 33.64 3hm2 s HIS 151 CO 0.16 -0.33 1.51 -1.83 -0.85 0.00 0.00 174.74 173.40 3hm2 s GLU 152 N -1.81 4.25 -0.13 1.40 -1.05 -1.26 -0.26 118.70 119.85 3hm2 s GLU 152 Ca -0.11 2.22 -0.03 0.00 -0.15 0.00 0.00 54.97 56.89 3hm2 s GLU 152 Cb -0.05 -3.34 0.05 0.00 -0.44 0.00 0.00 34.13 30.34 3hm2 s GLU 152 CO -0.00 -0.58 0.05 -1.58 0.95 0.00 0.00 175.26 174.10 3hm2 s HIS 153 N 1.65 0.45 0.60 4.83 2.46 0.16 -4.87 115.29 120.58 3hm2 s HIS 153 Ca 0.68 -0.29 -0.02 0.00 0.47 0.00 0.00 55.06 55.91 3hm2 s HIS 153 Cb -0.39 -0.75 0.04 0.00 -0.13 0.00 0.00 32.58 31.36 3hm2 s HIS 153 CO 0.31 -0.43 0.86 0.99 -2.47 0.00 0.00 174.74 173.99 3hm2 s THR 154 N 2.05 2.58 0.00 0.89 2.01 -1.26 -0.45 115.64 121.47 3hm2 s THR 154 Ca 0.03 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3hm2 s THR 154 Cb -0.15 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3hm2 s THR 154 CO -0.07 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3hm2 n GLY 156 N -2.55 -1.42 0.11 4.40 0.00 -1.26 -4.90 105.19 99.57 3hm2 n GLY 156 Ca 0.08 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3hm2 n GLY 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hm2 n SER 157 N 0.00 0.32 -4.27 1.61 3.41 -1.26 -4.85 113.62 108.59 3hm2 n SER 157 Ca 0.00 -1.56 -0.21 0.00 -0.26 0.00 0.00 58.87 56.84 3hm2 n SER 157 Cb 0.00 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 3hm2 n SER 157 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hm2 s PHE 158 N -1.95 1.58 -0.02 7.33 0.08 -1.26 -5.14 117.98 118.60 3hm2 s PHE 158 Ca 0.25 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 3hm2 s PHE 158 Cb 0.12 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 3hm2 s PHE 158 CO 0.19 0.20 0.11 0.42 -0.10 0.00 0.00 175.22 176.03 3hm2 s ILE 159 N -1.74 4.93 0.00 0.64 -1.09 -1.26 -4.09 121.20 118.59 3hm2 s ILE 159 Ca 0.08 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 3hm2 s ILE 159 Cb -0.07 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3hm2 s ILE 159 CO 0.04 0.37 0.00 0.35 -1.23 0.00 0.00 174.94 174.47 3hm2 n THR 160 N 1.20 0.00 -3.48 2.92 -2.24 0.41 -4.93 114.28 108.16 3hm2 n THR 160 Ca -0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 3hm2 n THR 160 Cb 0.53 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 3hm2 n THR 160 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hm2 s LYS 162 N 2.92 0.26 -0.06 -0.78 2.20 0.65 0.40 119.74 125.32 3hm2 s LYS 162 Ca 0.00 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.82 3hm2 s LYS 162 Cb 0.00 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.71 3hm2 s LYS 162 CO 0.00 -0.55 1.40 -2.14 -0.36 0.00 0.00 175.35 173.70 3hm2 s PRO 163 N 2.46 4.25 0.95 4.03 0.02 -1.26 -2.06 135.00 143.39 3hm2 s PRO 163 Ca 0.07 1.91 -0.13 0.00 0.02 0.00 0.00 61.00 62.87 3hm2 s PRO 163 Cb -0.15 -3.71 0.16 0.00 0.02 0.00 0.00 34.50 30.83 3hm2 s PRO 163 CO -0.13 -0.65 1.13 0.00 -0.33 0.00 0.00 177.00 177.02 3hm2 s ALA 164 N 3.01 1.53 0.37 -1.55 0.00 0.49 -4.97 121.76 120.65 3hm2 s ALA 164 Ca 0.63 -0.54 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 3hm2 s ALA 164 Cb -0.29 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 3hm2 s ALA 164 CO 0.24 -2.49 1.29 -0.51 0.00 0.00 0.00 175.76 174.28 3hm2 s LEU 165 N -6.18 4.31 0.16 0.00 1.43 -1.26 -4.73 118.68 112.41 3hm2 s LEU 165 Ca 0.65 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 56.08 3hm2 s LEU 165 Cb -0.15 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.19 3hm2 s LEU 165 CO 0.54 -0.69 1.04 -2.84 0.23 0.00 0.00 176.35 174.64 3hm2 s PRO 166 N -2.05 4.65 -0.20 1.29 0.02 -1.26 -4.77 135.00 132.69 3hm2 s PRO 166 Ca 0.53 1.62 -0.08 0.00 0.02 0.00 0.00 61.00 63.09 3hm2 s PRO 166 Cb -0.38 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.79 3hm2 s PRO 166 CO 0.49 0.16 0.08 0.08 -0.33 0.00 0.00 177.00 177.48 3hm2 s VAL 167 N -0.27 4.84 -0.31 3.83 1.01 -1.20 -4.68 120.40 123.63 3hm2 s VAL 167 Ca 0.48 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 3hm2 s VAL 167 Cb -0.27 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3hm2 s VAL 167 CO 0.33 0.44 0.37 -1.00 0.00 0.00 0.00 175.10 175.24 3hm2 s HIS 168 N 0.55 3.22 -0.25 5.22 3.76 -0.70 -2.25 115.29 124.84 3hm2 s HIS 168 Ca 0.04 0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 55.06 3hm2 s HIS 168 Cb -0.13 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 30.90 3hm2 s HIS 168 CO 0.01 -0.35 0.05 -1.14 -0.85 0.00 0.00 174.74 172.46 3hm2 s GLN 169 N 2.06 3.56 -0.19 1.40 0.74 -0.42 -0.96 119.66 125.86 3hm2 s GLN 169 Ca 0.13 -0.53 -0.14 0.00 0.05 0.00 0.00 55.36 54.87 3hm2 s GLN 169 Cb -0.16 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 3hm2 s GLN 169 CO 0.11 -0.21 0.32 -0.46 -0.55 0.00 0.00 175.29 174.50 3hm2 s TRP 170 N 1.58 3.41 -0.07 1.67 -0.00 0.56 -2.69 118.94 123.40 3hm2 s TRP 170 Ca 0.06 0.55 0.03 0.00 -0.00 0.00 0.00 56.10 56.74 3hm2 s TRP 170 Cb -0.15 -2.40 0.01 0.00 -0.00 0.00 0.00 33.47 30.92 3hm2 s TRP 170 CO 0.02 0.12 -0.16 0.99 -0.00 0.00 0.00 176.95 177.92 3hm2 s THR 171 N 0.88 1.43 -0.01 5.86 2.01 -0.38 0.25 115.64 125.69 3hm2 s THR 171 Ca 0.16 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 3hm2 s THR 171 Cb -0.14 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.11 3hm2 s THR 171 CO 0.06 0.42 0.14 0.54 -0.69 0.00 0.00 174.62 175.09 3hm2 s VAL 172 N 0.47 0.07 -0.10 3.82 0.11 -0.27 0.42 120.40 124.92 3hm2 s VAL 172 Ca -0.14 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.29 3hm2 s VAL 172 Cb -0.16 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3hm2 s VAL 172 CO 0.05 -0.32 0.04 -0.69 -3.33 0.00 0.00 175.10 170.84 3hm2 s VAL 173 N -1.17 4.60 0.02 2.04 1.01 -1.26 -1.02 120.40 124.61 3hm2 s VAL 173 Ca -0.13 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 3hm2 s VAL 173 Cb -0.07 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3hm2 s VAL 173 CO 0.01 0.60 1.29 -0.75 0.00 0.00 0.00 175.10 176.26 3hm2 s LYS 174 N -0.88 4.34 0.00 2.72 2.20 -0.20 -4.82 119.74 123.11 3hm2 s LYS 174 Ca 0.13 1.85 0.21 0.00 -0.36 0.00 0.00 55.97 57.80 3hm2 s LYS 174 Cb -0.12 -3.47 0.17 0.00 -1.51 0.00 0.00 37.83 32.90 3hm2 s LYS 174 CO 0.03 -0.44 1.17 0.00 -0.36 0.00 0.00 175.35 175.74