#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a98 s LYS 4 N 0.00 2.80 -0.25 3.44 2.20 -1.26 -0.32 119.74 126.35 1a98 s LYS 4 Ca 0.00 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1a98 s LYS 4 Cb 0.00 -2.64 0.06 0.00 -1.51 0.00 0.00 37.83 33.74 1a98 s LYS 4 CO 0.00 0.67 -0.05 -0.47 -0.36 0.00 0.00 175.35 175.14 1a98 s TYR 5 N -0.84 2.68 -0.10 4.03 5.04 0.13 -4.91 117.35 123.38 1a98 s TYR 5 Ca 0.13 -1.99 -0.22 0.00 -2.44 0.00 0.00 57.07 52.56 1a98 s TYR 5 Cb -0.11 -1.77 -0.04 0.00 0.35 0.00 0.00 41.96 40.39 1a98 s TYR 5 CO 0.02 -0.82 0.63 0.42 -1.34 0.00 0.00 175.55 174.46 1a98 s ILE 6 N 1.30 5.08 -0.25 3.14 -1.09 -1.26 -0.81 121.20 127.31 1a98 s ILE 6 Ca -0.05 1.27 -0.00 0.00 -2.23 0.00 0.00 60.65 59.64 1a98 s ILE 6 Cb -0.19 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1a98 s ILE 6 CO -0.07 0.25 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.12 1a98 s VAL 7 N 0.91 2.62 0.50 2.92 1.01 -0.69 -4.96 120.40 122.72 1a98 s VAL 7 Ca 0.33 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1a98 s VAL 7 Cb -0.17 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1a98 s VAL 7 CO 0.15 0.16 0.74 0.42 0.00 0.00 0.00 175.10 176.57 1a98 s THR 8 N 1.26 3.68 0.14 3.92 -4.23 -1.26 -2.32 115.64 116.84 1a98 s THR 8 Ca -0.02 -0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.90 1a98 s THR 8 Cb -0.17 -3.39 -0.00 0.00 1.34 0.00 0.00 72.50 70.28 1a98 s THR 8 CO -0.05 -0.30 1.73 -0.50 -0.54 0.00 0.00 174.62 174.96 1a98 h TRP 9 N 0.21 0.10 -0.55 3.99 4.06 -1.99 -0.95 115.95 120.82 1a98 h TRP 9 Ca -0.45 0.02 0.06 0.00 2.06 0.00 0.00 58.89 60.57 1a98 h TRP 9 Cb 1.26 -0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.37 1a98 h TRP 9 CO 0.44 0.03 0.26 -0.44 -3.56 0.00 0.00 178.44 175.17 1a98 h ASP 10 N 0.17 0.35 -0.54 -3.49 3.32 -1.99 -0.28 116.42 113.96 1a98 h ASP 10 Ca 0.13 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1a98 h ASP 10 Cb 0.14 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1a98 h ASP 10 CO -0.17 0.23 -0.11 0.24 -1.72 0.00 0.00 179.24 177.71 1a98 h MET 11 N 0.50 1.03 -0.68 3.56 2.86 -1.87 -1.26 114.93 119.07 1a98 h MET 11 Ca 0.25 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1a98 h MET 11 Cb 0.21 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1a98 h MET 11 CO -0.20 1.08 0.33 1.25 1.06 0.00 0.00 176.91 180.43 1a98 h LEU 12 N 0.91 0.89 -0.73 1.22 5.85 -0.70 -1.18 115.31 121.57 1a98 h LEU 12 Ca 0.14 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1a98 h LEU 12 Cb 0.69 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1a98 h LEU 12 CO 0.05 0.77 0.32 -0.61 -0.34 0.00 0.00 178.44 178.63 1a98 h GLN 13 N 0.95 1.07 -0.33 1.25 4.15 -0.82 0.20 115.11 121.57 1a98 h GLN 13 Ca 0.24 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1a98 h GLN 13 Cb 0.11 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1a98 h GLN 13 CO -0.03 0.86 0.11 0.82 -1.93 0.00 0.00 178.83 178.66 1a98 h ILE 14 N 1.03 1.20 -0.46 2.39 2.04 -0.89 -1.11 117.51 121.72 1a98 h ILE 14 Ca 0.25 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1a98 h ILE 14 Cb 0.16 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1a98 h ILE 14 CO -0.03 0.22 0.30 0.45 0.00 0.00 0.00 178.15 179.10 1a98 h HIS 15 N 0.38 0.58 -0.84 1.37 3.86 -0.85 -1.56 115.15 118.08 1a98 h HIS 15 Ca 0.11 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1a98 h HIS 15 Cb 0.23 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1a98 h HIS 15 CO 0.00 0.37 0.48 0.00 0.86 0.00 0.00 177.93 179.65 1a98 h ALA 16 N 1.16 1.08 -0.50 2.45 0.00 -0.80 -1.62 119.26 121.03 1a98 h ALA 16 Ca 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a98 h ALA 16 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1a98 h ALA 16 CO -0.04 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.84 1a98 h ARG 17 N 1.17 0.80 -0.36 0.00 3.08 -0.74 0.71 114.38 119.04 1a98 h ARG 17 Ca 0.30 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1a98 h ARG 17 Cb -0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1a98 h ARG 17 CO -0.05 0.76 0.06 -0.22 -1.07 0.00 0.00 179.97 179.45 1a98 h LYS 18 N 0.76 0.59 -0.70 0.04 3.64 -0.78 -1.93 116.57 118.19 1a98 h LYS 18 Ca 0.16 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1a98 h LYS 18 Cb 0.37 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1a98 h LYS 18 CO 0.01 0.66 0.41 1.25 -2.27 0.00 0.00 179.45 179.51 1a98 h LEU 19 N 0.43 0.85 -0.27 5.20 5.85 -0.86 -2.52 115.31 123.99 1a98 h LEU 19 Ca 0.11 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1a98 h LEU 19 Cb 0.35 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1a98 h LEU 19 CO 0.01 0.67 0.07 0.00 -0.34 0.00 0.00 178.44 178.85 1a98 h ALA 20 N 1.21 0.29 0.00 1.25 0.00 -0.59 -1.57 119.26 119.85 1a98 h ALA 20 Ca 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1a98 h ALA 20 Cb -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a98 h ALA 20 CO -0.04 -0.34 -0.09 0.66 0.00 0.00 0.00 179.25 179.43 1a98 h SER 21 N 0.18 0.00 1.24 0.00 4.64 -1.08 -0.93 113.55 117.59 1a98 h SER 21 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1a98 h SER 21 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1a98 h SER 21 CO -0.15 0.09 -0.00 -1.14 -0.87 0.00 0.00 176.83 174.76 1a98 n ARG 22 N -3.91 0.13 -0.28 4.77 0.63 -0.63 -3.26 116.66 114.10 1a98 n ARG 22 Ca -0.02 0.11 0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1a98 n ARG 22 Cb 0.18 -1.65 0.27 0.00 0.45 0.00 0.00 32.46 31.71 1a98 n ARG 22 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1a98 n LEU 23 N -1.88 3.74 -4.78 6.15 4.77 -0.36 -4.99 117.00 119.66 1a98 n LEU 23 Ca 0.06 -1.75 -0.34 0.00 -0.03 0.00 0.00 56.01 53.95 1a98 n LEU 23 Cb 0.39 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1a98 n LEU 23 CO 0.29 0.87 0.75 -0.04 -1.33 0.00 0.00 177.39 177.93 1a98 s MET 24 N -1.24 3.21 0.46 3.23 -1.94 -1.20 -4.40 119.30 117.41 1a98 s MET 24 Ca 0.44 1.44 -0.21 0.00 -1.71 0.00 0.00 55.69 55.65 1a98 s MET 24 Cb 0.24 -2.00 -0.09 0.00 2.01 0.00 0.00 34.83 35.00 1a98 s MET 24 CO 0.33 -0.93 1.04 -2.14 -0.01 0.00 0.00 175.02 173.31 1a98 s PRO 25 N -3.69 3.89 0.42 2.03 0.02 -1.26 -5.09 135.00 131.33 1a98 s PRO 25 Ca 0.69 1.40 0.19 0.00 0.02 0.00 0.00 61.00 63.29 1a98 s PRO 25 Cb -0.21 -2.20 0.95 0.00 0.02 0.00 0.00 34.50 33.06 1a98 s PRO 25 CO 0.33 -0.36 1.89 0.66 -0.33 0.00 0.00 177.00 179.19 1a98 h SER 26 N 1.79 0.00 0.28 2.53 4.64 -1.87 -3.12 113.55 117.80 1a98 h SER 26 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1a98 h SER 26 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1a98 h SER 26 CO 0.60 0.28 0.00 -0.62 -0.87 0.00 0.00 176.83 176.22 1a98 n GLU 27 N -3.85 0.14 0.00 4.77 4.71 -1.26 -2.26 120.64 122.89 1a98 n GLU 27 Ca -0.02 0.53 0.14 0.00 -0.01 0.00 0.00 57.16 57.80 1a98 n GLU 27 Cb 0.37 -1.85 0.57 0.00 -1.01 0.00 0.00 31.44 29.51 1a98 n GLU 27 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a98 n GLN 28 N -2.13 0.10 -4.15 3.49 10.64 -1.18 -4.83 117.38 119.32 1a98 n GLN 28 Ca 0.00 -0.02 -0.35 0.00 -1.83 0.00 0.00 57.00 54.81 1a98 n GLN 28 Cb 0.11 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.89 1a98 n GLN 28 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1a98 s TRP 29 N -2.92 3.23 0.03 2.61 0.52 -0.96 -4.75 118.94 116.70 1a98 s TRP 29 Ca 0.16 0.09 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 1a98 s TRP 29 Cb 0.19 -1.97 -0.28 0.00 -1.15 0.00 0.00 33.47 30.26 1a98 s TRP 29 CO 0.55 0.27 0.95 1.57 0.02 0.00 0.00 176.95 180.31 1a98 h LYS 30 N 6.11 0.27 0.00 4.98 -0.00 -0.62 -3.50 116.57 123.82 1a98 h LYS 30 Ca -0.41 -0.47 0.15 0.00 -0.00 0.00 0.00 60.65 59.92 1a98 h LYS 30 Cb 1.18 0.17 -0.03 0.00 -0.00 0.00 0.00 32.23 33.56 1a98 h LYS 30 CO 0.64 1.17 0.45 0.41 -0.00 0.00 0.00 179.45 182.12 1a98 n GLY 31 N 1.63 0.62 2.94 0.07 0.00 -1.23 -5.02 105.19 104.21 1a98 n GLY 31 Ca -0.14 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1a98 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a98 s ILE 32 N -2.16 0.72 -0.24 -0.61 1.01 -1.26 -1.75 121.20 116.90 1a98 s ILE 32 Ca 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1a98 s ILE 32 Cb -0.01 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1a98 s ILE 32 CO 0.01 0.26 -0.03 -0.63 0.00 0.00 0.00 174.94 174.55 1a98 s ILE 33 N 0.74 3.20 -0.14 2.92 1.01 0.15 -0.49 121.20 128.59 1a98 s ILE 33 Ca -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1a98 s ILE 33 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1a98 s ILE 33 CO 0.01 0.26 0.14 0.00 0.00 0.00 0.00 174.94 175.35 1a98 s ALA 34 N 1.41 3.83 -0.35 9.38 0.00 0.68 -1.05 121.76 135.66 1a98 s ALA 34 Ca 0.03 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1a98 s ALA 34 Cb -0.16 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 1a98 s ALA 34 CO -0.03 0.50 0.60 0.08 0.00 0.00 0.00 175.76 176.90 1a98 s VAL 35 N -0.66 4.94 0.30 0.00 1.01 -0.97 -1.33 120.40 123.69 1a98 s VAL 35 Ca 0.13 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1a98 s VAL 35 Cb -0.12 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 1a98 s VAL 35 CO 0.02 -0.25 1.59 -0.44 0.00 0.00 0.00 175.10 176.02 1a98 s SER 36 N 1.76 6.36 -0.07 3.32 0.01 -0.03 -0.44 113.70 124.60 1a98 s SER 36 Ca 0.23 2.97 0.12 0.00 1.31 0.00 0.00 55.95 60.58 1a98 s SER 36 Cb -0.15 -2.64 -0.18 0.00 0.21 0.00 0.00 66.02 63.26 1a98 s SER 36 CO 0.14 -0.92 0.17 0.54 0.41 0.00 0.00 173.24 173.58 1a98 n ARG 37 N 2.03 1.20 -0.04 12.44 1.74 -1.26 -4.81 116.66 127.95 1a98 n ARG 37 Ca 0.08 -0.06 0.24 0.00 -0.77 0.00 0.00 57.85 57.33 1a98 n ARG 37 Cb 0.37 -1.33 0.72 0.00 -1.02 0.00 0.00 32.46 31.21 1a98 n ARG 37 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1a98 h GLY 38 N 2.50 0.00 1.37 -0.13 0.00 -1.97 -1.14 103.07 103.71 1a98 h GLY 38 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1a98 h GLY 38 CO 0.01 0.00 -0.36 0.61 0.00 0.00 0.00 176.54 176.79 1a98 n GLY 39 N -1.61 -1.39 0.44 4.60 0.00 0.42 -3.41 105.19 104.23 1a98 n GLY 39 Ca 0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1a98 n GLY 39 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a98 h LEU 40 N 0.00 -1.11 0.06 0.99 3.38 -1.34 0.40 115.31 117.69 1a98 h LEU 40 Ca 0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1a98 h LEU 40 Cb 0.58 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1a98 h LEU 40 CO 0.00 -0.61 -0.09 0.58 0.09 0.00 0.00 178.44 178.41 1a98 h VAL 41 N -0.96 0.79 -0.20 1.22 2.07 -1.77 0.08 116.25 117.49 1a98 h VAL 41 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1a98 h VAL 41 Cb 0.79 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1a98 h VAL 41 CO 0.03 0.00 0.04 -0.65 0.02 0.00 0.00 177.57 177.02 1a98 h PRO 42 N -0.18 0.27 -0.49 1.57 0.11 -1.76 -1.53 132.00 129.99 1a98 h PRO 42 Ca 0.01 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 1a98 h PRO 42 Cb 0.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1a98 h PRO 42 CO -0.05 0.26 -0.07 0.78 -0.21 0.00 0.00 178.00 178.72 1a98 h GLY 43 N 0.47 1.00 1.54 -0.55 0.00 -0.23 -1.16 103.07 104.13 1a98 h GLY 43 Ca 0.07 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1a98 h GLY 43 CO -0.00 0.72 -0.17 0.00 0.00 0.00 0.00 176.54 177.09 1a98 h ALA 44 N 0.91 1.14 -0.06 3.60 0.00 -0.41 -1.01 119.26 123.43 1a98 h ALA 44 Ca 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1a98 h ALA 44 Cb 0.61 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1a98 h ALA 44 CO 0.04 0.54 -0.02 -0.07 0.00 0.00 0.00 179.25 179.74 1a98 h LEU 45 N 0.50 0.12 -0.36 0.00 3.38 -1.07 -1.48 115.31 116.40 1a98 h LEU 45 Ca 0.08 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1a98 h LEU 45 Cb 0.58 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1a98 h LEU 45 CO 0.04 0.49 0.17 -0.07 0.09 0.00 0.00 178.44 179.16 1a98 h LEU 46 N -0.25 0.25 -0.67 1.67 3.38 -1.09 0.10 115.31 118.70 1a98 h LEU 46 Ca 0.01 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1a98 h LEU 46 Cb 0.44 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1a98 h LEU 46 CO 0.01 0.18 0.34 0.00 0.09 0.00 0.00 178.44 179.06 1a98 h ALA 47 N 1.19 0.91 -0.57 1.53 0.00 -1.14 0.29 119.26 121.48 1a98 h ALA 47 Ca 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1a98 h ALA 47 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a98 h ALA 47 CO -0.11 -0.04 -0.01 -0.09 0.00 0.00 0.00 179.25 178.99 1a98 h ARG 48 N 0.59 0.98 -0.04 0.00 1.12 -0.59 0.12 114.38 116.56 1a98 h ARG 48 Ca 0.32 -0.30 -0.18 0.00 -1.11 0.00 0.00 59.98 58.71 1a98 h ARG 48 Cb 0.31 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 1a98 h ARG 48 CO -0.24 0.97 -0.77 0.93 -3.11 0.00 0.00 179.97 177.75 1a98 h GLU 49 N 0.90 0.29 0.00 0.20 4.39 0.05 -3.30 114.58 117.11 1a98 h GLU 49 Ca 0.16 -0.26 -0.19 0.00 0.34 0.00 0.00 59.36 59.41 1a98 h GLU 49 Cb 0.54 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1a98 h GLU 49 CO 0.03 0.93 -1.38 -0.07 -1.16 0.00 0.00 179.01 177.36 1a98 h LEU 50 N 0.19 0.00 0.00 1.33 3.38 -0.40 -3.49 115.31 116.32 1a98 h LEU 50 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a98 h LEU 50 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1a98 h LEU 50 CO 0.12 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1a98 n GLY 51 N 1.41 1.09 3.60 0.83 0.00 0.28 -4.78 105.19 107.61 1a98 n GLY 51 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1a98 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a98 s ILE 52 N -2.00 4.38 0.39 -0.61 1.01 -0.42 -4.93 121.20 119.03 1a98 s ILE 52 Ca 0.00 1.19 0.20 0.00 0.00 0.00 0.00 60.65 62.04 1a98 s ILE 52 Cb 0.00 -4.49 0.20 0.00 0.01 0.00 0.00 42.46 38.18 1a98 s ILE 52 CO 0.00 -0.81 1.96 0.08 0.00 0.00 0.00 174.94 176.18 1a98 h ARG 53 N 8.88 0.00 -5.26 2.79 -0.00 -1.97 -3.40 114.38 115.41 1a98 h ARG 53 Ca -0.23 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.20 1a98 h ARG 53 Cb 1.07 0.00 -0.31 0.00 -0.00 0.00 0.00 29.97 30.72 1a98 h ARG 53 CO 1.06 0.22 -0.83 -1.58 -0.00 0.00 0.00 179.97 178.84 1a98 s HIS 54 N -4.26 1.67 -0.16 4.08 5.65 -1.26 -5.09 115.29 115.91 1a98 s HIS 54 Ca -0.03 -0.48 -0.01 0.00 0.25 0.00 0.00 55.06 54.79 1a98 s HIS 54 Cb 0.14 -1.13 -0.01 0.00 -1.18 0.00 0.00 32.58 30.40 1a98 s HIS 54 CO 0.66 -0.16 -0.11 0.08 -0.65 0.00 0.00 174.74 174.55 1a98 s VAL 55 N 0.05 3.05 0.33 0.89 1.01 -1.26 -4.26 120.40 120.20 1a98 s VAL 55 Ca -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1a98 s VAL 55 Cb -0.11 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1a98 s VAL 55 CO 0.02 0.49 0.60 -1.81 0.00 0.00 0.00 175.10 174.41 1a98 s ASP 56 N 0.80 6.42 0.06 3.32 1.01 0.36 -4.95 116.67 123.69 1a98 s ASP 56 Ca -0.04 0.76 0.07 0.00 0.71 0.00 0.00 52.55 54.04 1a98 s ASP 56 Cb -0.15 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 1a98 s ASP 56 CO 0.01 -0.27 -0.18 0.42 0.21 0.00 0.00 175.17 175.36 1a98 s THR 57 N -2.21 1.44 0.24 -1.27 -4.23 -1.26 -0.23 115.64 108.12 1a98 s THR 57 Ca 0.45 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1a98 s THR 57 Cb -0.10 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1a98 s THR 57 CO 0.32 0.01 0.13 0.68 -0.54 0.00 0.00 174.62 175.22 1a98 s VAL 58 N -0.98 0.21 -0.21 2.29 -7.23 -0.44 -4.92 120.40 109.12 1a98 s VAL 58 Ca 0.04 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1a98 s VAL 58 Cb -0.09 -2.55 0.10 0.00 0.56 0.00 0.00 36.38 34.41 1a98 s VAL 58 CO 0.02 0.00 0.39 0.00 -0.31 0.00 0.00 175.10 175.21 1a98 s ALA 59 N -3.94 -1.09 0.72 1.32 0.00 -1.26 -0.85 121.76 116.66 1a98 s ALA 59 Ca 0.38 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1a98 s ALA 59 Cb 0.07 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1a98 s ALA 59 CO 0.14 -0.93 1.10 0.42 0.00 0.00 0.00 175.76 176.49 1a98 s ILE 60 N 2.58 3.14 -0.32 0.00 1.09 -1.26 -5.06 121.20 121.36 1a98 s ILE 60 Ca 0.04 0.32 0.25 0.00 -1.10 0.00 0.00 60.65 60.16 1a98 s ILE 60 Cb -0.13 -3.36 0.26 0.00 -1.06 0.00 0.00 42.46 38.17 1a98 s ILE 60 CO -0.14 -0.46 1.75 0.28 -0.10 0.00 0.00 174.94 176.27 1a98 h SER 61 N -0.71 0.00 0.00 3.58 0.02 -2.00 -3.52 113.55 110.92 1a98 h SER 61 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1a98 h SER 61 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1a98 h SER 61 CO 0.64 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 1a98 n GLY 81 N -0.30 0.69 3.75 -3.77 0.00 -1.26 -5.04 105.19 99.26 1a98 n GLY 81 Ca 0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1a98 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a98 s GLU 82 N 0.00 4.60 0.00 1.61 1.03 -1.26 -2.75 118.70 121.93 1a98 s GLU 82 Ca 0.00 1.78 0.00 0.00 0.03 0.00 0.00 54.97 56.78 1a98 s GLU 82 Cb 0.00 -3.23 0.00 0.00 -0.80 0.00 0.00 34.13 30.10 1a98 s GLU 82 CO 0.00 0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.45 1a98 n GLY 83 N 1.67 1.45 3.90 -3.83 0.00 -1.26 -4.82 105.19 102.31 1a98 n GLY 83 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1a98 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a98 s PHE 84 N -3.14 3.56 -0.19 1.61 0.40 -1.17 0.14 117.98 119.18 1a98 s PHE 84 Ca 0.00 0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.66 1a98 s PHE 84 Cb 0.00 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1a98 s PHE 84 CO 0.00 0.66 0.02 0.42 0.70 0.00 0.00 175.22 177.02 1a98 s ILE 85 N -1.28 4.19 -0.22 0.64 1.01 -0.72 -0.85 121.20 123.97 1a98 s ILE 85 Ca 0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 1a98 s ILE 85 Cb -0.13 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1a98 s ILE 85 CO 0.16 0.43 0.04 -0.69 0.00 0.00 0.00 174.94 174.88 1a98 s VAL 86 N 0.82 4.14 0.05 2.92 1.01 -0.56 0.31 120.40 129.10 1a98 s VAL 86 Ca 0.01 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1a98 s VAL 86 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1a98 s VAL 86 CO 0.02 0.39 -0.25 -0.51 0.00 0.00 0.00 175.10 174.75 1a98 s ILE 87 N 1.30 1.99 0.02 2.22 2.07 -0.22 -0.69 121.20 127.88 1a98 s ILE 87 Ca 0.04 -1.34 -0.01 0.00 -1.41 0.00 0.00 60.65 57.93 1a98 s ILE 87 Cb -0.15 -1.71 -0.02 0.00 0.13 0.00 0.00 42.46 40.72 1a98 s ILE 87 CO 0.02 0.30 0.00 -0.62 -1.91 0.00 0.00 174.94 172.74 1a98 s ASP 88 N -1.25 0.20 0.12 4.50 2.15 -0.98 -2.29 116.67 119.11 1a98 s ASP 88 Ca 0.10 -0.43 -0.19 0.00 0.43 0.00 0.00 52.55 52.46 1a98 s ASP 88 Cb -0.10 0.12 -0.06 0.00 -0.30 0.00 0.00 42.92 42.58 1a98 s ASP 88 CO 0.02 -0.31 1.73 -2.24 -0.17 0.00 0.00 175.17 174.20 1a98 h ASP 89 N 4.62 0.29 -4.63 -0.34 2.03 -1.89 -3.10 116.42 113.39 1a98 h ASP 89 Ca -0.32 -0.07 -0.14 0.00 -0.73 0.00 0.00 57.03 55.78 1a98 h ASP 89 Cb 1.21 -0.07 -0.22 0.00 -0.83 0.00 0.00 39.33 39.42 1a98 h ASP 89 CO 0.41 0.27 -0.39 -0.22 -1.03 0.00 0.00 179.24 178.29 1a98 s LEU 90 N -10.04 1.12 -0.32 0.15 2.96 -1.26 -1.59 118.68 109.70 1a98 s LEU 90 Ca -0.13 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1a98 s LEU 90 Cb 0.08 0.97 0.09 0.00 0.50 0.00 0.00 46.19 47.83 1a98 s LEU 90 CO 0.70 -0.31 0.02 0.54 -1.32 0.00 0.00 176.35 175.98 1a98 s VAL 91 N -0.89 2.27 -0.20 1.68 0.11 -1.13 -4.96 120.40 117.28 1a98 s VAL 91 Ca -0.10 -2.19 -0.16 0.00 -2.93 0.00 0.00 61.98 56.61 1a98 s VAL 91 Cb -0.05 -2.61 -0.08 0.00 -1.53 0.00 0.00 36.38 32.11 1a98 s VAL 91 CO 0.02 -0.47 -0.29 -0.67 -3.33 0.00 0.00 175.10 170.36 1a98 n ASP 92 N 4.30 1.92 0.00 3.54 2.03 -1.26 -2.53 116.55 124.55 1a98 n ASP 92 Ca -0.00 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1a98 n ASP 92 Cb 0.42 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1a98 n ASP 92 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1a98 n THR 93 N -4.42 0.00 0.00 5.18 -1.04 -1.26 -2.94 114.28 109.80 1a98 n THR 93 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1a98 n THR 93 Cb 0.60 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1a98 n THR 93 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1a98 n THR 96 N -0.83 0.00 -0.34 12.58 5.66 -1.26 -4.84 114.28 125.25 1a98 n THR 96 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 1a98 n THR 96 Cb 0.00 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.06 1a98 n THR 96 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a98 h ALA 97 N 0.00 1.54 0.15 1.79 0.00 -1.99 -2.11 119.26 118.64 1a98 h ALA 97 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a98 h ALA 97 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1a98 h ALA 97 CO 0.00 -0.02 -0.11 0.28 0.00 0.00 0.00 179.25 179.40 1a98 h VAL 98 N 0.76 0.76 -1.01 0.00 2.07 -1.98 -1.97 116.25 114.88 1a98 h VAL 98 Ca 0.54 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.17 1a98 h VAL 98 Cb 0.78 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1a98 h VAL 98 CO -0.36 0.00 0.64 0.00 0.02 0.00 0.00 177.57 177.86 1a98 h ALA 99 N 0.57 1.50 -0.31 1.67 0.00 -1.84 -1.32 119.26 119.52 1a98 h ALA 99 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a98 h ALA 99 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a98 h ALA 99 CO -0.00 0.26 0.15 0.82 0.00 0.00 0.00 179.25 180.48 1a98 h ILE 100 N 1.03 1.16 -0.44 0.00 2.04 -1.14 -1.57 117.51 118.58 1a98 h ILE 100 Ca 0.49 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1a98 h ILE 100 Cb 0.44 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1a98 h ILE 100 CO -0.25 0.17 0.28 0.03 0.00 0.00 0.00 178.15 178.38 1a98 h ARG 101 N 0.37 0.58 -0.05 2.37 2.47 -0.50 0.11 114.38 119.73 1a98 h ARG 101 Ca 0.11 -0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 1a98 h ARG 101 Cb 0.13 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1a98 h ARG 101 CO -0.01 0.39 -0.49 0.93 0.56 0.00 0.00 179.97 181.35 1a98 h GLU 102 N 0.60 0.43 -0.33 0.04 4.39 -1.08 -3.04 114.58 115.59 1a98 h GLU 102 Ca 0.16 -0.39 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 1a98 h GLU 102 Cb -0.06 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1a98 h GLU 102 CO -0.03 1.04 -0.31 0.00 -1.16 0.00 0.00 179.01 178.54 1a98 h MET 103 N -0.04 0.79 -2.95 2.33 -0.00 -0.99 -3.39 114.93 110.68 1a98 h MET 103 Ca -0.05 -0.41 -0.61 0.00 -0.00 0.00 0.00 59.70 58.63 1a98 h MET 103 Cb 1.16 0.01 -0.40 0.00 -0.00 0.00 0.00 31.60 32.38 1a98 h MET 103 CO 0.10 1.04 -0.74 0.71 -0.00 0.00 0.00 176.91 178.02 1a98 s TYR 104 N -4.39 2.15 0.22 -0.10 2.02 0.36 -4.72 117.35 112.89 1a98 s TYR 104 Ca -0.12 -2.57 0.17 0.00 -0.37 0.00 0.00 57.07 54.18 1a98 s TYR 104 Cb 0.10 -1.93 0.67 0.00 -0.40 0.00 0.00 41.96 40.39 1a98 s TYR 104 CO 0.85 -0.75 1.74 -1.35 -1.57 0.00 0.00 175.55 174.46 1a98 h PRO 105 N 6.42 0.00 -0.41 -1.71 0.11 -1.73 -3.21 132.00 131.47 1a98 h PRO 105 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1a98 h PRO 105 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1a98 h PRO 105 CO 0.51 0.41 0.00 1.63 -0.21 0.00 0.00 178.00 180.34 1a98 n LYS 106 N -3.65 2.42 -2.48 1.05 4.01 -1.26 -4.96 118.16 113.29 1a98 n LYS 106 Ca -0.01 -2.18 -0.31 0.00 -0.51 0.00 0.00 58.31 55.30 1a98 n LYS 106 Cb 0.50 -1.42 -0.03 0.00 -0.51 0.00 0.00 35.03 33.57 1a98 n LYS 106 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1a98 s ALA 107 N -1.18 3.15 -0.78 7.82 0.00 -1.11 -4.18 121.76 125.48 1a98 s ALA 107 Ca 0.34 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 1a98 s ALA 107 Cb 0.19 -3.00 0.13 0.00 0.00 0.00 0.00 23.12 20.44 1a98 s ALA 107 CO 0.26 -0.21 0.91 -1.58 0.00 0.00 0.00 175.76 175.13 1a98 s HIS 108 N -2.60 3.17 -0.24 0.00 2.46 -0.03 -4.90 115.29 113.14 1a98 s HIS 108 Ca 0.56 -1.30 -0.29 0.00 0.47 0.00 0.00 55.06 54.51 1a98 s HIS 108 Cb -0.10 -4.11 -0.00 0.00 -0.13 0.00 0.00 32.58 28.24 1a98 s HIS 108 CO 0.33 -1.35 1.23 0.12 -2.47 0.00 0.00 174.74 172.60 1a98 s PHE 109 N 2.32 2.89 0.10 3.88 5.36 -1.26 -1.50 117.98 129.77 1a98 s PHE 109 Ca 0.22 1.04 0.04 0.00 -0.96 0.00 0.00 56.93 57.27 1a98 s PHE 109 Cb -0.13 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 38.88 1a98 s PHE 109 CO -0.03 -1.44 -0.11 0.14 -1.46 0.00 0.00 175.22 172.32 1a98 s VAL 110 N 3.79 0.98 0.05 3.12 -7.23 0.13 -0.37 120.40 120.87 1a98 s VAL 110 Ca 0.53 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1a98 s VAL 110 Cb -0.18 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1a98 s VAL 110 CO 0.17 -0.51 0.01 0.42 -0.31 0.00 0.00 175.10 174.87 1a98 s THR 111 N -2.28 0.20 -0.12 5.32 -4.23 -0.70 -2.32 115.64 111.50 1a98 s THR 111 Ca 0.05 -1.62 -0.25 0.00 -1.18 0.00 0.00 61.69 58.69 1a98 s THR 111 Cb -0.04 -1.37 -0.22 0.00 1.34 0.00 0.00 72.50 72.21 1a98 s THR 111 CO 0.01 -0.89 0.74 0.40 -0.54 0.00 0.00 174.62 174.33 1a98 h ILE 112 N 3.24 1.51 -2.24 2.99 1.08 -1.42 -3.10 117.51 119.57 1a98 h ILE 112 Ca -0.34 -2.02 -0.56 0.00 -0.39 0.00 0.00 64.86 61.55 1a98 h ILE 112 Cb 1.16 2.80 -0.09 0.00 -3.07 0.00 0.00 36.82 37.62 1a98 h ILE 112 CO 0.62 0.49 -0.64 -0.36 -0.69 0.00 0.00 178.15 177.57 1a98 s PHE 113 N -2.40 2.72 -0.24 1.37 0.08 -0.62 -0.90 117.98 117.98 1a98 s PHE 113 Ca -0.16 -0.21 -0.18 0.00 0.12 0.00 0.00 56.93 56.50 1a98 s PHE 113 Cb -0.02 -1.21 0.07 0.00 -0.57 0.00 0.00 43.02 41.29 1a98 s PHE 113 CO 0.60 0.61 0.61 0.00 -0.10 0.00 0.00 175.22 176.94 1a98 s ALA 114 N -2.28 -1.57 0.52 5.36 0.00 -0.82 -2.85 121.76 120.11 1a98 s ALA 114 Ca 0.31 1.95 0.05 0.00 0.00 0.00 0.00 51.96 54.27 1a98 s ALA 114 Cb -0.07 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1a98 s ALA 114 CO 0.20 -0.32 0.72 0.15 0.00 0.00 0.00 175.76 176.51 1a98 s LYS 115 N 0.96 2.52 0.22 0.00 1.02 -1.05 -2.39 119.74 121.02 1a98 s LYS 115 Ca -0.05 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 54.70 1a98 s LYS 115 Cb -0.05 -2.61 0.29 0.00 -0.52 0.00 0.00 37.83 34.94 1a98 s LYS 115 CO -0.09 -0.64 1.80 -1.35 -0.92 0.00 0.00 175.35 174.16 1a98 h PRO 116 N 0.26 0.68 -0.10 -1.68 0.11 -1.90 -1.28 132.00 128.09 1a98 h PRO 116 Ca -0.38 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1a98 h PRO 116 Cb 1.29 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1a98 h PRO 116 CO 0.46 0.45 0.06 0.00 -0.21 0.00 0.00 178.00 178.76 1a98 h ALA 117 N 1.38 0.13 0.00 -0.75 0.00 -1.91 -3.15 119.26 114.96 1a98 h ALA 117 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1a98 h ALA 117 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a98 h ALA 117 CO -0.21 -0.36 -0.27 0.41 0.00 0.00 0.00 179.25 178.81 1a98 n GLY 118 N -1.02 -1.43 0.37 0.00 0.00 -1.12 -4.22 105.19 97.76 1a98 n GLY 118 Ca -0.05 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 45.94 1a98 n GLY 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a98 h ARG 119 N 0.00 0.59 0.00 1.61 2.43 -1.19 0.61 114.38 118.43 1a98 h ARG 119 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1a98 h ARG 119 Cb 0.58 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1a98 h ARG 119 CO 0.00 0.39 0.00 -2.30 -1.51 0.00 0.00 179.97 176.55 1a98 n PRO 120 N -4.75 0.32 0.03 0.20 -0.02 -1.26 -3.81 135.00 125.72 1a98 n PRO 120 Ca 0.25 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.58 1a98 n PRO 120 Cb 0.70 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.54 1a98 n PRO 120 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a98 h LEU 121 N 0.00 0.27-10.02 2.45 3.38 -1.14 -3.47 115.31 106.78 1a98 h LEU 121 Ca 0.00 -0.44 -0.51 0.00 0.09 0.00 0.00 57.88 57.02 1a98 h LEU 121 Cb 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1a98 h LEU 121 CO 0.00 1.38 0.03 0.68 0.09 0.00 0.00 178.44 180.62 1a98 s VAL 122 N -2.61 4.77 0.03 1.22 -7.23 -1.21 -4.98 120.40 110.38 1a98 s VAL 122 Ca -0.09 0.76 0.15 0.00 -1.81 0.00 0.00 61.98 60.99 1a98 s VAL 122 Cb 0.07 -3.62 0.05 0.00 0.56 0.00 0.00 36.38 33.44 1a98 s VAL 122 CO 0.83 -0.18 1.54 0.44 -0.31 0.00 0.00 175.10 177.42 1a98 h ASP 123 N 2.24 0.00 -4.68 4.85 3.32 -1.05 -3.47 116.42 117.64 1a98 h ASP 123 Ca -0.47 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.58 1a98 h ASP 123 Cb 1.17 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1a98 h ASP 123 CO 0.66 0.53 0.34 -0.62 -1.72 0.00 0.00 179.24 178.43 1a98 s ASP 124 N -6.50 -0.52 0.32 6.45 -1.08 -1.18 -5.03 116.67 109.13 1a98 s ASP 124 Ca 0.02 0.46 -0.09 0.00 -0.52 0.00 0.00 52.55 52.41 1a98 s ASP 124 Cb 0.09 0.45 0.01 0.00 -1.46 0.00 0.00 42.92 42.02 1a98 s ASP 124 CO 0.73 -0.57 0.56 -0.72 0.52 0.00 0.00 175.17 175.69 1a98 s TYR 125 N -1.66 0.59 -0.06 -5.34 1.13 -1.26 -1.73 117.35 109.03 1a98 s TYR 125 Ca -0.05 -0.97 -0.05 0.00 -1.41 0.00 0.00 57.07 54.58 1a98 s TYR 125 Cb -0.00 0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 41.06 1a98 s TYR 125 CO 0.03 -1.20 -0.12 0.28 -2.51 0.00 0.00 175.55 172.02 1a98 n VAL 126 N -0.50 0.87 -5.00 -3.49 0.31 -0.52 -4.97 118.33 105.02 1a98 n VAL 126 Ca -0.02 0.05 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 1a98 n VAL 126 Cb 0.61 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.68 1a98 n VAL 126 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a98 s VAL 127 N -2.24 2.76 -0.16 2.52 1.01 -0.08 -5.03 120.40 119.18 1a98 s VAL 127 Ca -0.12 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1a98 s VAL 127 Cb 0.04 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1a98 s VAL 127 CO 0.16 0.58 0.36 -1.81 0.00 0.00 0.00 175.10 174.40 1a98 s ASP 128 N -0.56 6.50 -0.02 3.32 1.01 -1.26 -1.95 116.67 123.70 1a98 s ASP 128 Ca 0.08 0.58 0.04 0.00 0.71 0.00 0.00 52.55 53.97 1a98 s ASP 128 Cb -0.11 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1a98 s ASP 128 CO 0.01 0.03 -0.14 0.27 0.21 0.00 0.00 175.17 175.55 1a98 s ILE 129 N 0.72 1.15 0.54 0.77 -4.36 -1.00 -4.97 121.20 114.04 1a98 s ILE 129 Ca 0.19 -0.61 -0.21 0.00 -0.26 0.00 0.00 60.65 59.77 1a98 s ILE 129 Cb -0.14 -0.96 -0.06 0.00 1.25 0.00 0.00 42.46 42.55 1a98 s ILE 129 CO 0.06 0.33 1.16 -2.65 0.24 0.00 0.00 174.94 174.08 1a98 n PRO 130 N 2.84 1.35 0.03 0.37 -0.02 -1.26 -4.29 135.00 134.03 1a98 n PRO 130 Ca -0.15 0.50 0.19 0.00 -2.02 0.00 0.00 63.50 62.02 1a98 n PRO 130 Cb 0.55 -2.34 0.70 0.00 -0.02 0.00 0.00 33.50 32.39 1a98 n PRO 130 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1a98 h GLN 131 N 1.12 0.00 -0.09 -0.52 5.75 -1.95 -1.33 115.11 118.08 1a98 h GLN 131 Ca -0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1a98 h GLN 131 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 1a98 h GLN 131 CO 0.55 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.33 1a98 n ASP 132 N -4.31 1.82 -4.72 -0.69 5.68 -1.26 -4.94 116.55 108.12 1a98 n ASP 132 Ca 0.08 -1.65 -0.41 0.00 -0.50 0.00 0.00 54.79 52.32 1a98 n ASP 132 Cb 0.56 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 1a98 n ASP 132 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1a98 s THR 133 N -1.90 4.93 -0.60 2.12 -4.23 -0.50 -4.41 115.64 111.04 1a98 s THR 133 Ca 0.35 1.75 -0.24 0.00 -1.18 0.00 0.00 61.69 62.38 1a98 s THR 133 Cb 0.20 -4.18 0.05 0.00 1.34 0.00 0.00 72.50 69.91 1a98 s THR 133 CO 0.31 0.22 0.97 0.86 -0.54 0.00 0.00 174.62 176.44 1a98 s TRP 134 N 0.82 2.71 -0.19 3.99 -0.00 0.56 -4.94 118.94 121.89 1a98 s TRP 134 Ca 0.44 -0.22 -0.15 0.00 -0.00 0.00 0.00 56.10 56.18 1a98 s TRP 134 Cb -0.20 -4.19 -0.04 0.00 -0.00 0.00 0.00 33.47 29.04 1a98 s TRP 134 CO 0.23 -1.52 0.33 -1.50 -0.00 0.00 0.00 176.95 174.50 1a98 s ILE 135 N 4.12 5.26 -0.19 5.86 2.07 -1.26 0.21 121.20 137.27 1a98 s ILE 135 Ca 0.28 0.59 -0.04 0.00 -1.41 0.00 0.00 60.65 60.07 1a98 s ILE 135 Cb -0.14 -3.67 -0.02 0.00 0.13 0.00 0.00 42.46 38.76 1a98 s ILE 135 CO 0.16 0.31 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.77 1a98 s GLU 136 N 0.97 3.55 0.25 3.50 2.56 0.01 -4.95 118.70 124.59 1a98 s GLU 136 Ca 0.17 -0.56 -0.15 0.00 0.00 0.00 0.00 54.97 54.43 1a98 s GLU 136 Cb -0.14 -2.99 -0.08 0.00 2.00 0.00 0.00 34.13 32.92 1a98 s GLU 136 CO 0.06 0.03 0.66 -0.65 -0.56 0.00 0.00 175.26 174.80 1a98 s GLN 137 N 0.92 4.00 0.33 4.30 -1.52 -1.26 -1.70 119.66 124.74 1a98 s GLN 137 Ca 0.00 0.59 0.08 0.00 -1.95 0.00 0.00 55.36 54.08 1a98 s GLN 137 Cb -0.14 -2.65 0.79 0.00 -0.22 0.00 0.00 33.01 30.79 1a98 s GLN 137 CO 0.01 0.29 1.81 -1.00 -0.25 0.00 0.00 175.29 176.16 1a98 h PRO 138 N 2.76 0.70 0.00 2.91 0.13 -1.79 -1.01 132.00 135.69 1a98 h PRO 138 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1a98 h PRO 138 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1a98 h PRO 138 CO 0.66 0.46 0.00 -2.67 -0.23 0.00 0.00 178.00 176.22 1a98 n TRP 139 N -4.66 0.70 0.33 1.56 2.14 -1.26 -1.59 117.44 114.67 1a98 n TRP 139 Ca 0.21 0.30 0.12 0.00 2.07 0.00 0.00 57.50 60.20 1a98 n TRP 139 Cb 0.56 -0.99 0.21 0.00 -0.81 0.00 0.00 31.31 30.28 1a98 n TRP 139 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1a98 n ASP 140 N -2.17 3.48 -3.37 -0.67 8.00 -0.39 -4.98 116.55 116.46 1a98 n ASP 140 Ca 0.01 -2.00 -0.19 0.00 0.71 0.00 0.00 54.79 53.32 1a98 n ASP 140 Cb 0.16 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1a98 n ASP 140 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1a98 n MET 141 N 1.51 0.82 -3.63 -1.24 2.81 -0.62 -5.00 117.12 111.77 1a98 n MET 141 Ca 0.19 -2.48 -0.02 0.00 -1.81 0.00 0.00 57.70 53.58 1a98 n MET 141 Cb 0.61 1.14 -0.01 0.00 -0.71 0.00 0.00 33.22 34.25 1a98 n MET 141 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a98 s GLY 142 N -2.82 -0.35 -0.48 3.03 0.00 -1.26 -5.00 107.32 100.44 1a98 s GLY 142 Ca 0.10 0.81 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 1a98 s GLY 142 CO 0.07 0.22 0.72 0.14 0.00 0.00 0.00 173.10 174.25 1a98 s VAL 143 N -2.73 4.73 0.31 1.40 1.01 -1.26 -5.03 120.40 118.83 1a98 s VAL 143 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1a98 s VAL 143 Cb 0.01 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1a98 s VAL 143 CO -0.03 -0.77 0.10 0.68 0.00 0.00 0.00 175.10 175.07 1a98 s VAL 144 N 3.05 0.73 0.17 2.92 -7.23 -1.26 -5.12 120.40 113.67 1a98 s VAL 144 Ca 0.23 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.09 1a98 s VAL 144 Cb -0.15 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 1a98 s VAL 144 CO 0.18 0.00 1.49 0.12 -0.31 0.00 0.00 175.10 176.58 1a98 s PHE 145 N -3.51 3.10 -0.23 2.82 5.36 -1.26 -5.00 117.98 119.26 1a98 s PHE 145 Ca 0.35 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 1a98 s PHE 145 Cb 0.07 -3.84 0.05 0.00 -0.34 0.00 0.00 43.02 38.96 1a98 s PHE 145 CO 0.15 -2.99 -0.11 0.08 -1.46 0.00 0.00 175.22 170.89 1a98 s VAL 146 N 0.85 1.87 0.58 3.12 1.01 -1.26 -5.12 120.40 121.45 1a98 s VAL 146 Ca 0.66 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1a98 s VAL 146 Cb -0.42 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 1a98 s VAL 146 CO 0.34 0.10 0.80 -2.65 0.00 0.00 0.00 175.10 173.68 1a98 n PRO 147 N 4.58 0.75 -1.79 2.72 -0.02 -1.26 -4.94 135.00 135.04 1a98 n PRO 147 Ca -0.15 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.28 1a98 n PRO 147 Cb 0.45 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1a98 n PRO 147 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1a98 s PRO 148 N -2.47 2.72 0.26 0.52 0.02 -1.26 -4.93 135.00 129.86 1a98 s PRO 148 Ca 0.73 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.40 1a98 s PRO 148 Cb -0.43 -1.92 0.34 0.00 0.02 0.00 0.00 34.50 32.50 1a98 s PRO 148 CO 0.50 -1.36 1.65 0.82 -0.33 0.00 0.00 177.00 178.28 1a98 h ILE 149 N 0.29 1.31 0.00 2.83 2.04 -2.08 -3.57 117.51 118.32 1a98 h ILE 149 Ca -0.48 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 63.83 1a98 h ILE 149 Cb 1.27 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1a98 h ILE 149 CO 0.53 0.47 0.00 -1.54 0.00 0.00 0.00 178.15 177.62