#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a95 s LYS 4 N 0.00 1.02 -0.48 5.31 1.02 -1.26 -3.28 119.74 122.07 1a95 s LYS 4 Ca 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 1a95 s LYS 4 Cb 0.00 -1.11 0.12 0.00 -0.52 0.00 0.00 37.83 36.32 1a95 s LYS 4 CO 0.00 0.27 0.36 -0.47 -0.92 0.00 0.00 175.35 174.58 1a95 s TYR 5 N -1.03 3.42 0.02 3.18 5.04 0.35 -4.95 117.35 123.38 1a95 s TYR 5 Ca 0.03 -1.87 -0.30 0.00 -2.44 0.00 0.00 57.07 52.48 1a95 s TYR 5 Cb -0.09 -3.51 -0.05 0.00 0.35 0.00 0.00 41.96 38.66 1a95 s TYR 5 CO 0.02 -0.99 1.20 0.42 -1.34 0.00 0.00 175.55 174.86 1a95 s ILE 6 N 1.33 4.12 -0.26 3.14 -1.09 -1.26 -1.28 121.20 125.91 1a95 s ILE 6 Ca 0.06 1.51 0.03 0.00 -2.23 0.00 0.00 60.65 60.02 1a95 s ILE 6 Cb -0.26 -3.97 0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1a95 s ILE 6 CO -0.01 0.08 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.98 1a95 s VAL 7 N 1.44 2.15 0.69 2.92 1.01 -0.63 -4.95 120.40 123.04 1a95 s VAL 7 Ca 0.58 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 1a95 s VAL 7 Cb -0.28 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1a95 s VAL 7 CO 0.27 -0.03 1.02 0.42 0.00 0.00 0.00 175.10 176.78 1a95 s THR 8 N 1.11 2.74 0.18 3.92 -4.23 -1.26 -2.76 115.64 115.34 1a95 s THR 8 Ca -0.09 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.22 1a95 s THR 8 Cb -0.20 -3.18 0.08 0.00 1.34 0.00 0.00 72.50 70.54 1a95 s THR 8 CO -0.05 -0.20 1.84 -0.50 -0.54 0.00 0.00 174.62 175.16 1a95 h TRP 9 N -0.56 0.72 -0.46 3.99 4.06 -1.99 -1.85 115.95 119.86 1a95 h TRP 9 Ca -0.45 0.01 0.05 0.00 2.06 0.00 0.00 58.89 60.56 1a95 h TRP 9 Cb 1.29 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 29.17 1a95 h TRP 9 CO 0.39 0.46 0.19 -0.44 -3.56 0.00 0.00 178.44 175.48 1a95 h ASP 10 N 0.76 0.24 -0.53 -3.49 3.32 -1.99 -0.77 116.42 113.96 1a95 h ASP 10 Ca 0.20 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1a95 h ASP 10 Cb -0.07 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1a95 h ASP 10 CO -0.04 0.17 0.01 0.24 -1.72 0.00 0.00 179.24 177.90 1a95 h MET 11 N 0.38 0.92 -0.57 3.56 2.86 -1.90 -1.86 114.93 118.32 1a95 h MET 11 Ca 0.21 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1a95 h MET 11 Cb 0.17 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1a95 h MET 11 CO -0.19 0.94 0.35 1.25 1.06 0.00 0.00 176.91 180.32 1a95 h LEU 12 N 0.80 0.69 -1.11 1.22 5.85 -0.95 -1.21 115.31 120.60 1a95 h LEU 12 Ca 0.15 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1a95 h LEU 12 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1a95 h LEU 12 CO 0.03 0.54 0.13 -0.61 -0.34 0.00 0.00 178.44 178.18 1a95 h GLN 13 N 0.77 0.76 -0.32 1.25 4.15 -1.01 -0.20 115.11 120.53 1a95 h GLN 13 Ca 0.21 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1a95 h GLN 13 Cb -0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 1a95 h GLN 13 CO -0.04 0.69 0.06 0.82 -1.93 0.00 0.00 178.83 178.42 1a95 h ILE 14 N 0.74 1.23 -0.58 2.39 2.04 -0.73 -1.71 117.51 120.89 1a95 h ILE 14 Ca 0.17 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1a95 h ILE 14 Cb 0.26 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1a95 h ILE 14 CO -0.00 0.26 0.10 0.45 0.00 0.00 0.00 178.15 178.96 1a95 h HIS 15 N 0.35 0.98 -0.67 1.37 3.86 -0.81 -2.32 115.15 117.91 1a95 h HIS 15 Ca 0.10 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1a95 h HIS 15 Cb 0.33 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1a95 h HIS 15 CO 0.02 0.84 0.15 0.00 0.86 0.00 0.00 177.93 179.80 1a95 h ALA 16 N 1.22 0.99 -0.06 2.45 0.00 -0.86 -1.94 119.26 121.06 1a95 h ALA 16 Ca 0.18 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1a95 h ALA 16 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a95 h ALA 16 CO 0.01 0.65 -0.50 0.00 0.00 0.00 0.00 179.25 179.41 1a95 h ARG 17 N 1.02 0.17 -0.14 0.00 3.08 -1.08 -0.94 114.38 116.48 1a95 h ARG 17 Ca 0.21 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1a95 h ARG 17 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1a95 h ARG 17 CO 0.00 0.63 -0.45 0.87 -1.07 0.00 0.00 179.97 179.96 1a95 h LYS 18 N 0.13 0.35 -0.03 0.04 6.56 -1.09 -2.43 116.57 120.10 1a95 h LYS 18 Ca 0.00 -0.18 -0.24 0.00 -1.06 0.00 0.00 60.65 59.17 1a95 h LYS 18 Cb 0.93 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.60 1a95 h LYS 18 CO 0.07 0.73 -0.94 1.25 -2.06 0.00 0.00 179.45 178.50 1a95 h LEU 19 N 0.29 0.76 -1.40 2.94 5.85 -1.12 -3.24 115.31 119.39 1a95 h LEU 19 Ca 0.02 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1a95 h LEU 19 Cb 0.90 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1a95 h LEU 19 CO 0.07 1.37 0.08 0.00 -0.34 0.00 0.00 178.44 179.63 1a95 h ALA 20 N 0.58 1.52 0.00 1.25 0.00 -1.02 -2.04 119.26 119.56 1a95 h ALA 20 Ca -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1a95 h ALA 20 Cb 1.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1a95 h ALA 20 CO 0.18 0.36 -0.14 0.66 0.00 0.00 0.00 179.25 180.31 1a95 h SER 21 N 0.48 0.00 0.82 0.00 4.64 -1.46 -2.49 113.55 115.53 1a95 h SER 21 Ca 0.11 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.20 1a95 h SER 21 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1a95 h SER 21 CO -0.00 0.14 -1.26 0.03 -0.87 0.00 0.00 176.83 174.86 1a95 h ARG 22 N 0.00 0.00 0.00 4.77 3.08 -1.47 -3.31 114.38 117.45 1a95 h ARG 22 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a95 h ARG 22 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1a95 h ARG 22 CO 0.02 0.77 0.00 1.28 -1.07 0.00 0.00 179.97 180.97 1a95 n LEU 23 N -3.22 0.00 -4.80 3.04 4.77 -0.94 -4.85 117.00 111.01 1a95 n LEU 23 Ca -0.07 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.57 1a95 n LEU 23 Cb 0.97 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.00 1a95 n LEU 23 CO 0.46 0.00 0.67 -0.04 -1.33 0.00 0.00 177.39 177.15 1a95 s MET 24 N -2.00 4.30 0.84 3.23 -1.94 -1.21 -4.23 119.30 118.29 1a95 s MET 24 Ca 0.22 1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 55.35 1a95 s MET 24 Cb 0.10 -2.44 0.10 0.00 2.01 0.00 0.00 34.83 34.60 1a95 s MET 24 CO 0.17 0.02 1.10 -2.14 -0.01 0.00 0.00 175.02 174.17 1a95 s PRO 25 N -2.70 1.69 0.00 2.03 0.02 -1.26 -5.08 135.00 129.70 1a95 s PRO 25 Ca 0.58 0.61 0.26 0.00 0.02 0.00 0.00 61.00 62.47 1a95 s PRO 25 Cb -0.15 -1.88 0.77 0.00 0.02 0.00 0.00 34.50 33.27 1a95 s PRO 25 CO 0.19 -1.89 1.59 -1.13 -0.33 0.00 0.00 177.00 175.43 1a95 n SER 26 N -3.61 0.47 0.20 2.53 3.41 -1.26 -3.88 113.62 111.48 1a95 n SER 26 Ca 0.07 -0.24 0.07 0.00 -0.26 0.00 0.00 58.87 58.51 1a95 n SER 26 Cb 0.57 0.05 0.38 0.00 -0.26 0.00 0.00 64.21 64.94 1a95 n SER 26 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1a95 h GLU 27 N 0.24 0.00 0.00 4.33 3.07 -1.92 -2.97 114.58 117.32 1a95 h GLU 27 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a95 h GLU 27 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1a95 h GLU 27 CO 0.00 0.33 0.00 0.00 -1.40 0.00 0.00 179.01 177.94 1a95 n GLN 28 N -3.54 0.28 -4.47 2.33 10.64 -1.25 -4.73 117.38 116.64 1a95 n GLN 28 Ca -0.00 0.09 -0.34 0.00 -1.83 0.00 0.00 57.00 54.92 1a95 n GLN 28 Cb 0.48 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.23 1a95 n GLN 28 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1a95 s TRP 29 N -2.60 2.97 0.07 2.61 0.52 -1.12 -4.81 118.94 116.58 1a95 s TRP 29 Ca 0.20 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.78 1a95 s TRP 29 Cb 0.14 -1.94 -0.24 0.00 -1.15 0.00 0.00 33.47 30.28 1a95 s TRP 29 CO 0.33 -0.10 1.17 0.87 0.02 0.00 0.00 176.95 179.24 1a95 h LYS 30 N 6.76 0.63 0.00 4.98 1.57 -0.35 -3.49 116.57 126.67 1a95 h LYS 30 Ca -0.30 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 57.73 1a95 h LYS 30 Cb 1.20 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1a95 h LYS 30 CO 0.61 1.32 0.00 0.41 -0.57 0.00 0.00 179.45 181.22 1a95 n GLY 31 N 1.21 1.02 3.10 3.86 0.00 -1.25 -4.73 105.19 108.40 1a95 n GLY 31 Ca -0.12 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1a95 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a95 s ILE 32 N -2.36 1.34 -0.32 -0.61 1.01 0.01 -2.41 121.20 117.86 1a95 s ILE 32 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1a95 s ILE 32 Cb 0.00 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.33 1a95 s ILE 32 CO 0.00 0.39 0.08 -0.63 0.00 0.00 0.00 174.94 174.78 1a95 s ILE 33 N 0.24 3.74 -0.13 2.92 -1.09 0.90 0.08 121.20 127.86 1a95 s ILE 33 Ca -0.08 -1.01 -0.13 0.00 -2.23 0.00 0.00 60.65 57.21 1a95 s ILE 33 Cb -0.13 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 1a95 s ILE 33 CO 0.03 -0.08 0.28 0.00 -1.23 0.00 0.00 174.94 173.94 1a95 s ALA 34 N 1.42 3.66 -0.63 9.38 0.00 -0.10 -0.83 121.76 134.66 1a95 s ALA 34 Ca -0.01 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 1a95 s ALA 34 Cb -0.19 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 20.68 1a95 s ALA 34 CO 0.02 0.24 1.01 0.08 0.00 0.00 0.00 175.76 177.11 1a95 s VAL 35 N -0.03 4.25 0.28 0.00 1.01 -0.18 -1.75 120.40 123.98 1a95 s VAL 35 Ca 0.17 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1a95 s VAL 35 Cb -0.13 -4.66 -0.10 0.00 0.00 0.00 0.00 36.38 31.48 1a95 s VAL 35 CO 0.05 -1.38 1.42 -0.55 0.00 0.00 0.00 175.10 174.64 1a95 s SER 36 N 3.34 6.65 -0.02 3.32 0.15 -0.92 -0.45 113.70 125.77 1a95 s SER 36 Ca 0.28 2.71 0.14 0.00 0.70 0.00 0.00 55.95 59.78 1a95 s SER 36 Cb -0.14 -2.63 -0.22 0.00 -1.71 0.00 0.00 66.02 61.32 1a95 s SER 36 CO 0.15 -0.68 0.31 0.54 1.20 0.00 0.00 173.24 174.75 1a95 n ARG 37 N 1.83 0.42 -0.23 5.44 1.74 -1.26 -4.22 116.66 120.38 1a95 n ARG 37 Ca 0.05 -0.13 0.05 0.00 -0.77 0.00 0.00 57.85 57.05 1a95 n ARG 37 Cb 0.40 -1.33 0.30 0.00 -1.02 0.00 0.00 32.46 30.82 1a95 n ARG 37 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1a95 h GLY 38 N 2.54 1.09 0.98 -0.13 0.00 -1.97 -2.56 103.07 103.01 1a95 h GLY 38 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1a95 h GLY 38 CO 0.00 0.27 -0.01 0.61 0.00 0.00 0.00 176.54 177.40 1a95 n GLY 39 N -1.43 -0.96 0.09 4.60 0.00 0.40 -3.82 105.19 104.07 1a95 n GLY 39 Ca 0.11 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1a95 n GLY 39 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a95 h LEU 40 N 0.30 -0.10 -0.10 0.99 3.38 -1.61 0.08 115.31 118.25 1a95 h LEU 40 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1a95 h LEU 40 Cb 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1a95 h LEU 40 CO 0.00 0.10 0.02 0.58 0.09 0.00 0.00 178.44 179.23 1a95 h VAL 41 N -0.29 1.21 -0.27 1.22 2.07 -1.78 -0.33 116.25 118.09 1a95 h VAL 41 Ca -0.01 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1a95 h VAL 41 Cb 0.25 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1a95 h VAL 41 CO 0.02 0.19 -0.02 -0.65 0.02 0.00 0.00 177.57 177.13 1a95 h PRO 42 N -0.07 0.42 -0.37 1.57 0.11 -1.76 -1.52 132.00 130.38 1a95 h PRO 42 Ca 0.03 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 1a95 h PRO 42 Cb 0.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1a95 h PRO 42 CO 0.00 0.46 -0.26 0.78 -0.21 0.00 0.00 178.00 178.77 1a95 h GLY 43 N 0.76 0.81 1.26 -0.55 0.00 -0.80 -1.48 103.07 103.07 1a95 h GLY 43 Ca 0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 1a95 h GLY 43 CO 0.01 0.66 0.01 0.00 0.00 0.00 0.00 176.54 177.21 1a95 h ALA 44 N 1.06 1.01 -0.35 3.60 0.00 -0.44 -1.23 119.26 122.90 1a95 h ALA 44 Ca 0.08 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1a95 h ALA 44 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1a95 h ALA 44 CO 0.06 0.61 -0.34 -0.07 0.00 0.00 0.00 179.25 179.51 1a95 h LEU 45 N 0.83 0.84 -0.56 0.00 3.38 -1.04 -2.21 115.31 116.55 1a95 h LEU 45 Ca 0.16 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1a95 h LEU 45 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1a95 h LEU 45 CO 0.02 1.10 -0.27 -0.07 0.09 0.00 0.00 178.44 179.32 1a95 h LEU 46 N 0.67 0.90 -1.00 1.67 3.38 -1.07 -2.09 115.31 117.76 1a95 h LEU 46 Ca 0.07 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1a95 h LEU 46 Cb 0.89 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1a95 h LEU 46 CO 0.08 1.11 0.50 0.00 0.09 0.00 0.00 178.44 180.22 1a95 h ALA 47 N 0.95 1.24 0.07 1.53 0.00 -1.09 0.21 119.26 122.18 1a95 h ALA 47 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a95 h ALA 47 Cb 0.82 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a95 h ALA 47 CO 0.07 0.63 -0.04 -0.09 0.00 0.00 0.00 179.25 179.83 1a95 h ARG 48 N 1.21 -0.10 -0.54 0.00 1.12 -1.24 0.24 114.38 115.08 1a95 h ARG 48 Ca 0.31 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.11 1a95 h ARG 48 Cb -0.01 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1a95 h ARG 48 CO -0.05 0.29 0.06 0.93 -3.11 0.00 0.00 179.97 178.08 1a95 h GLU 49 N -0.50 0.92 0.00 0.20 4.39 -1.21 -2.98 114.58 115.40 1a95 h GLU 49 Ca -0.01 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1a95 h GLU 49 Cb 0.43 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1a95 h GLU 49 CO 0.02 0.91 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.29 1a95 h LEU 50 N 0.80 0.00 0.53 1.33 3.38 -0.66 -3.48 115.31 117.21 1a95 h LEU 50 Ca 0.16 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1a95 h LEU 50 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a95 h LEU 50 CO 0.02 0.05 -0.10 0.61 0.09 0.00 0.00 178.44 179.10 1a95 n GLY 51 N 1.27 0.27 3.64 0.83 0.00 0.64 -4.79 105.19 107.06 1a95 n GLY 51 Ca 0.04 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1a95 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a95 s ILE 52 N -2.20 5.00 -0.39 -0.61 -1.09 -0.08 -4.94 121.20 116.89 1a95 s ILE 52 Ca 0.00 1.16 0.22 0.00 -2.23 0.00 0.00 60.65 59.80 1a95 s ILE 52 Cb 0.00 -3.94 -0.15 0.00 -1.58 0.00 0.00 42.46 36.79 1a95 s ILE 52 CO 0.00 0.07 0.88 -1.14 -1.23 0.00 0.00 174.94 173.52 1a95 n ARG 53 N 5.40 0.44 -2.84 2.79 0.63 -1.26 -4.66 116.66 117.16 1a95 n ARG 53 Ca -0.01 -0.02 -0.43 0.00 -0.92 0.00 0.00 57.85 56.46 1a95 n ARG 53 Cb 0.49 -1.62 -0.03 0.00 0.45 0.00 0.00 32.46 31.75 1a95 n ARG 53 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1a95 s HIS 54 N -3.31 2.87 -0.18 -0.14 2.46 -1.26 -4.98 115.29 110.75 1a95 s HIS 54 Ca -0.00 -1.02 -0.00 0.00 0.47 0.00 0.00 55.06 54.51 1a95 s HIS 54 Cb 0.13 -4.35 0.01 0.00 -0.13 0.00 0.00 32.58 28.24 1a95 s HIS 54 CO 0.83 -1.62 -0.16 0.08 -2.47 0.00 0.00 174.74 171.40 1a95 s VAL 55 N 3.52 2.41 0.49 0.89 1.01 -1.26 -0.81 120.40 126.65 1a95 s VAL 55 Ca 0.31 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1a95 s VAL 55 Cb -0.08 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1a95 s VAL 55 CO -0.03 0.51 0.07 -0.62 0.00 0.00 0.00 175.10 175.03 1a95 s ASP 56 N 1.24 4.18 0.10 3.32 -1.08 0.11 -4.97 116.67 119.56 1a95 s ASP 56 Ca 0.03 -1.52 -0.00 0.00 -0.52 0.00 0.00 52.55 50.54 1a95 s ASP 56 Cb -0.14 0.30 -0.04 0.00 -1.46 0.00 0.00 42.92 41.58 1a95 s ASP 56 CO -0.09 -0.80 -0.01 0.42 0.52 0.00 0.00 175.17 175.21 1a95 s THR 57 N -2.82 0.32 -0.20 1.71 -4.23 -1.26 -0.92 115.64 108.24 1a95 s THR 57 Ca 0.16 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1a95 s THR 57 Cb 0.03 -1.77 0.06 0.00 1.34 0.00 0.00 72.50 72.16 1a95 s THR 57 CO 0.09 -0.76 0.06 0.54 -0.54 0.00 0.00 174.62 174.01 1a95 s VAL 58 N -3.88 0.34 -0.30 2.29 0.11 -0.72 -3.35 120.40 114.89 1a95 s VAL 58 Ca 0.15 -0.50 -0.16 0.00 -2.93 0.00 0.00 61.98 58.53 1a95 s VAL 58 Cb 0.07 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1a95 s VAL 58 CO -0.04 -0.28 0.42 0.00 -3.33 0.00 0.00 175.10 171.87 1a95 s ILE 60 N 2.17 0.67 0.10 0.00 -4.36 -1.26 -0.65 121.20 117.87 1a95 s ILE 60 Ca 0.16 -0.72 -0.16 0.00 -0.26 0.00 0.00 60.65 59.66 1a95 s ILE 60 Cb -0.16 -1.19 -0.07 0.00 1.25 0.00 0.00 42.46 42.30 1a95 s ILE 60 CO 0.11 -0.25 0.54 -0.44 0.24 0.00 0.00 174.94 175.14 1a95 s SER 61 N 1.78 6.93 -0.05 4.36 0.01 -0.71 -4.93 113.70 121.10 1a95 s SER 61 Ca -0.00 1.14 -0.02 0.00 1.31 0.00 0.00 55.95 58.38 1a95 s SER 61 Cb -0.17 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.77 1a95 s SER 61 CO -0.10 0.20 0.04 -0.94 0.41 0.00 0.00 173.24 172.86 1a95 s SER 62 N -1.38 1.18 -0.20 2.44 1.04 -1.26 -1.71 113.70 113.81 1a95 s SER 62 Ca 0.32 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 1a95 s SER 62 Cb -0.17 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 1a95 s SER 62 CO 0.18 -0.23 -0.09 -0.31 0.98 0.00 0.00 173.24 173.78 1a95 s TYR 63 N 2.05 2.90 -0.06 5.02 4.12 -0.64 -4.95 117.35 125.80 1a95 s TYR 63 Ca 0.04 -1.05 -0.28 0.00 0.02 0.00 0.00 57.07 55.80 1a95 s TYR 63 Cb -0.12 -2.04 -0.02 0.00 -1.52 0.00 0.00 41.96 38.26 1a95 s TYR 63 CO -0.03 -0.56 0.94 -0.51 0.02 0.00 0.00 175.55 175.40 1a95 s ASP 64 N 1.30 7.24 -0.55 2.29 1.11 -1.26 -1.55 116.67 125.25 1a95 s ASP 64 Ca 0.04 1.51 0.04 0.00 0.18 0.00 0.00 52.55 54.32 1a95 s ASP 64 Cb -0.14 -2.53 0.14 0.00 1.07 0.00 0.00 42.92 41.45 1a95 s ASP 64 CO -0.04 -0.31 0.31 -1.00 1.18 0.00 0.00 175.17 175.30 1a95 s HIS 65 N 1.39 3.20 0.00 4.23 3.76 0.57 -4.99 115.29 123.45 1a95 s HIS 65 Ca 0.48 -3.18 0.00 0.00 -0.15 0.00 0.00 55.06 52.21 1a95 s HIS 65 Cb -0.19 -2.75 0.00 0.00 1.11 0.00 0.00 32.58 30.74 1a95 s HIS 65 CO 0.22 -0.70 0.00 -0.25 -0.85 0.00 0.00 174.74 173.16 1a95 n ASP 66 N 2.89 0.00 -0.21 1.40 8.00 -1.26 -2.36 116.55 125.02 1a95 n ASP 66 Ca 0.08 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.60 1a95 n ASP 66 Cb 0.33 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1a95 n ASP 66 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1a95 n ASN 67 N 6.11 1.82 -4.16 -2.24 6.94 -1.26 -5.01 115.26 117.46 1a95 n ASN 67 Ca 0.00 -1.56 -0.23 0.00 -0.02 0.00 0.00 54.58 52.77 1a95 n ASN 67 Cb 0.00 -0.04 -0.14 0.00 -2.36 0.00 0.00 39.78 37.23 1a95 n ASN 67 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1a95 s GLN 68 N -0.66 1.17 -0.06 -3.83 0.74 -0.99 -5.14 119.66 110.90 1a95 s GLN 68 Ca 0.07 -0.69 -0.07 0.00 0.05 0.00 0.00 55.36 54.71 1a95 s GLN 68 Cb 0.04 -1.18 -0.04 0.00 1.10 0.00 0.00 33.01 32.93 1a95 s GLN 68 CO 0.06 0.31 0.21 1.03 -0.55 0.00 0.00 175.29 176.35 1a95 s ARG 69 N -0.77 3.54 -0.33 1.67 0.52 -1.26 -0.32 118.95 122.00 1a95 s ARG 69 Ca 0.05 -0.07 -0.00 0.00 -0.52 0.00 0.00 55.73 55.19 1a95 s ARG 69 Cb -0.07 -3.15 0.08 0.00 0.52 0.00 0.00 34.95 32.32 1a95 s ARG 69 CO 0.00 0.72 0.04 -1.83 0.02 0.00 0.00 175.30 174.26 1a95 s GLU 70 N -1.35 2.10 0.03 3.54 4.04 -0.60 -4.97 118.70 121.49 1a95 s GLU 70 Ca 0.21 -1.54 0.08 0.00 0.04 0.00 0.00 54.97 53.76 1a95 s GLU 70 Cb -0.13 -3.24 -0.03 0.00 0.02 0.00 0.00 34.13 30.75 1a95 s GLU 70 CO 0.10 -0.79 -0.24 -0.48 -1.84 0.00 0.00 175.26 172.02 1a95 s LEU 71 N 1.13 2.27 -0.01 1.83 0.05 -1.26 -1.62 118.68 121.07 1a95 s LEU 71 Ca 0.01 -0.52 -0.01 0.00 0.05 0.00 0.00 54.13 53.66 1a95 s LEU 71 Cb -0.20 -1.36 0.00 0.00 -2.05 0.00 0.00 46.19 42.58 1a95 s LEU 71 CO -0.04 0.27 0.04 -0.54 -0.55 0.00 0.00 176.35 175.53 1a95 s LYS 72 N -1.16 0.07 -0.50 1.48 -0.14 -0.69 -5.01 119.74 113.79 1a95 s LYS 72 Ca 0.12 0.00 -0.22 0.00 -1.36 0.00 0.00 55.97 54.51 1a95 s LYS 72 Cb -0.10 0.03 0.04 0.00 -1.68 0.00 0.00 37.83 36.12 1a95 s LYS 72 CO 0.02 -0.01 0.79 0.14 -0.76 0.00 0.00 175.35 175.53 1a95 s VAL 73 N -0.10 4.63 0.17 3.17 -7.23 -1.26 -1.73 120.40 118.04 1a95 s VAL 73 Ca -0.01 0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 60.19 1a95 s VAL 73 Cb -0.01 -4.39 -0.09 0.00 0.56 0.00 0.00 36.38 32.45 1a95 s VAL 73 CO 0.00 -0.89 1.44 -0.07 -0.31 0.00 0.00 175.10 175.27 1a95 h LEU 74 N 10.30 0.67 -7.36 1.32 3.38 -1.28 -3.45 115.31 118.90 1a95 h LEU 74 Ca -0.26 -0.39 -0.16 0.00 0.09 0.00 0.00 57.88 57.16 1a95 h LEU 74 Cb 1.08 -0.19 -0.27 0.00 0.09 0.00 0.00 40.66 41.37 1a95 h LEU 74 CO 1.01 1.14 -0.39 -0.75 0.09 0.00 0.00 178.44 179.53 1a95 s LYS 75 N -3.85 0.31 -0.02 1.13 2.36 -1.16 -4.99 119.74 113.51 1a95 s LYS 75 Ca -0.08 0.53 0.05 0.00 -2.55 0.00 0.00 55.97 53.93 1a95 s LYS 75 Cb 0.10 0.03 -0.01 0.00 -1.05 0.00 0.00 37.83 36.91 1a95 s LYS 75 CO 0.86 -0.11 -0.18 0.50 1.55 0.00 0.00 175.35 177.97 1a95 s ARG 76 N 0.78 1.55 -0.12 4.03 3.52 -1.26 -0.67 118.95 126.78 1a95 s ARG 76 Ca -0.05 -0.64 -0.28 0.00 -0.13 0.00 0.00 55.73 54.63 1a95 s ARG 76 Cb -0.06 -1.46 -0.01 0.00 -1.56 0.00 0.00 34.95 31.86 1a95 s ARG 76 CO -0.05 0.35 0.94 0.00 -0.81 0.00 0.00 175.30 175.73 1a95 s ALA 77 N -0.30 3.44 0.33 6.12 0.00 -1.21 -5.00 121.76 125.13 1a95 s ALA 77 Ca 0.04 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1a95 s ALA 77 Cb -0.08 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 1a95 s ALA 77 CO 0.00 -0.60 1.40 0.39 0.00 0.00 0.00 175.76 176.95 1a95 n GLU 78 N 5.02 2.33 0.00 0.00 -0.58 -1.26 -4.84 120.64 121.32 1a95 n GLU 78 Ca 0.07 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 1a95 n GLU 78 Cb 0.49 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 1a95 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a95 n GLY 79 N 1.05 0.81 0.00 0.62 0.00 -1.26 -4.85 105.19 101.56 1a95 n GLY 79 Ca 0.05 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1a95 n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a95 n ASP 80 N 1.22 0.93 0.00 1.61 5.75 -1.26 -4.81 116.55 119.99 1a95 n ASP 80 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 1a95 n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1a95 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a95 n GLY 81 N -0.06 0.46 3.62 6.12 0.00 -1.26 -1.92 105.19 112.14 1a95 n GLY 81 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1a95 n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a95 s GLU 82 N -1.12 3.73 0.00 1.61 2.12 -1.25 -1.65 118.70 122.14 1a95 s GLU 82 Ca 0.00 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1a95 s GLU 82 Cb 0.00 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.35 1a95 s GLU 82 CO 0.00 -1.37 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 1a95 n GLY 83 N 4.75 0.66 3.64 -1.50 0.00 -1.26 -4.86 105.19 106.62 1a95 n GLY 83 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1a95 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a95 s PHE 84 N -2.10 2.76 -0.28 1.61 0.40 -0.66 0.39 117.98 120.11 1a95 s PHE 84 Ca 0.00 -0.18 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 1a95 s PHE 84 Cb 0.00 -1.31 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1a95 s PHE 84 CO 0.00 0.54 0.07 0.42 0.70 0.00 0.00 175.22 176.96 1a95 s ILE 85 N -1.88 4.00 -0.34 0.64 1.01 -1.01 -2.08 121.20 121.54 1a95 s ILE 85 Ca 0.28 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1a95 s ILE 85 Cb -0.08 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1a95 s ILE 85 CO 0.18 0.14 0.36 -0.69 0.00 0.00 0.00 174.94 174.93 1a95 s VAL 86 N 1.52 5.17 -0.03 2.92 1.01 -0.64 -0.07 120.40 130.28 1a95 s VAL 86 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1a95 s VAL 86 Cb -0.17 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1a95 s VAL 86 CO 0.02 -0.08 -0.22 -0.51 0.00 0.00 0.00 175.10 174.32 1a95 s ILE 87 N 2.01 2.42 0.06 2.22 1.10 -0.01 -0.97 121.20 128.02 1a95 s ILE 87 Ca 0.12 -0.97 0.02 0.00 -0.51 0.00 0.00 60.65 59.30 1a95 s ILE 87 Cb -0.17 -1.88 -0.03 0.00 0.15 0.00 0.00 42.46 40.53 1a95 s ILE 87 CO 0.12 0.58 -0.07 -0.62 -2.11 0.00 0.00 174.94 172.84 1a95 s ASP 88 N -0.62 0.89 0.12 4.50 2.15 -0.97 -1.01 116.67 121.72 1a95 s ASP 88 Ca 0.10 -0.75 -0.17 0.00 0.43 0.00 0.00 52.55 52.16 1a95 s ASP 88 Cb -0.10 0.08 -0.03 0.00 -0.30 0.00 0.00 42.92 42.56 1a95 s ASP 88 CO -0.00 -0.34 1.64 -2.24 -0.17 0.00 0.00 175.17 174.06 1a95 h ASP 89 N 3.83 0.49 -5.11 -0.34 2.03 -1.87 -3.23 116.42 112.22 1a95 h ASP 89 Ca -0.35 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 55.75 1a95 h ASP 89 Cb 1.18 -0.13 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 1a95 h ASP 89 CO 0.52 0.55 0.04 -1.48 -1.03 0.00 0.00 179.24 177.84 1a95 s LEU 90 N -9.74 0.05 -0.10 0.15 0.05 -1.26 -2.00 118.68 105.82 1a95 s LEU 90 Ca -0.13 -0.67 -0.00 0.00 0.05 0.00 0.00 54.13 53.38 1a95 s LEU 90 Cb 0.09 2.20 0.02 0.00 -2.05 0.00 0.00 46.19 46.46 1a95 s LEU 90 CO 0.74 -1.17 -0.07 0.54 -0.55 0.00 0.00 176.35 175.84 1a95 s VAL 91 N -3.94 0.93 0.00 1.48 0.11 -1.12 -5.00 120.40 112.86 1a95 s VAL 91 Ca 0.14 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1a95 s VAL 91 Cb -0.02 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1a95 s VAL 91 CO 0.04 0.34 0.00 -0.67 -3.33 0.00 0.00 175.10 171.49 1a95 n ASP 92 N 4.78 0.00 0.10 3.54 -0.08 -1.26 -1.95 116.55 121.67 1a95 n ASP 92 Ca -0.14 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.24 1a95 n ASP 92 Cb 0.50 -0.05 -0.01 0.00 2.34 0.00 0.00 41.12 43.90 1a95 n ASP 92 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1a95 h THR 93 N 0.00 0.09 0.00 5.18 1.35 -1.96 -3.22 112.91 114.35 1a95 h THR 93 Ca 0.00 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1a95 h THR 93 Cb 0.00 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1a95 h THR 93 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1a95 n GLY 94 N 1.21 0.63 0.16 5.82 0.00 -1.26 -4.14 105.19 107.60 1a95 n GLY 94 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 1a95 n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a95 h GLY 95 N 0.00 0.45 0.87 -0.02 0.00 -1.99 -1.27 103.07 101.11 1a95 h GLY 95 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1a95 h GLY 95 CO 0.00 -0.02 -0.11 -0.84 0.00 0.00 0.00 176.54 175.57 1a95 h THR 96 N 0.22 1.29 -0.66 4.70 2.02 -1.98 -3.12 112.91 115.38 1a95 h THR 96 Ca 0.18 -1.18 0.08 0.00 0.77 0.00 0.00 66.41 66.26 1a95 h THR 96 Cb 0.20 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1a95 h THR 96 CO -0.22 0.37 0.31 0.00 0.37 0.00 0.00 175.52 176.35 1a95 h ALA 97 N 0.75 0.88 -0.39 6.16 0.00 -1.88 -0.43 119.26 124.35 1a95 h ALA 97 Ca 0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a95 h ALA 97 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a95 h ALA 97 CO 0.04 -0.08 0.24 0.28 0.00 0.00 0.00 179.25 179.73 1a95 h VAL 98 N 0.55 1.06 -0.53 0.00 2.07 -1.25 -0.77 116.25 117.38 1a95 h VAL 98 Ca 0.32 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1a95 h VAL 98 Cb 0.32 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1a95 h VAL 98 CO -0.25 0.09 0.23 0.00 0.02 0.00 0.00 177.57 177.66 1a95 h ALA 99 N 1.16 0.69 -0.66 1.67 0.00 -1.33 -2.64 119.26 118.15 1a95 h ALA 99 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1a95 h ALA 99 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1a95 h ALA 99 CO -0.06 0.28 0.26 0.82 0.00 0.00 0.00 179.25 180.55 1a95 h ILE 100 N 0.72 1.24 0.00 0.00 1.08 -0.82 -2.51 117.51 117.22 1a95 h ILE 100 Ca 0.18 -0.76 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 1a95 h ILE 100 Cb 0.16 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1a95 h ILE 100 CO -0.02 0.30 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.48 1a95 h ARG 101 N 0.93 0.00 0.00 2.37 9.65 -0.96 0.01 114.38 126.38 1a95 h ARG 101 Ca 0.22 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.96 1a95 h ARG 101 Cb 0.22 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1a95 h ARG 101 CO -0.02 0.18 -0.66 0.93 2.80 0.00 0.00 179.97 183.20 1a95 h GLU 102 N 0.00 0.00 0.15 0.20 4.39 -1.10 -2.33 114.58 115.88 1a95 h GLU 102 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1a95 h GLU 102 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1a95 h GLU 102 CO 0.02 0.66 -1.59 0.52 -1.16 0.00 0.00 179.01 177.47 1a95 h MET 103 N 0.00 0.31 -2.22 2.33 2.86 -1.00 -3.40 114.93 113.81 1a95 h MET 103 Ca -0.01 -0.53 -0.58 0.00 -2.06 0.00 0.00 59.70 56.52 1a95 h MET 103 Cb 1.35 0.20 -0.40 0.00 0.06 0.00 0.00 31.60 32.80 1a95 h MET 103 CO 0.09 1.19 -0.85 0.66 1.06 0.00 0.00 176.91 179.06 1a95 n TYR 104 N -3.51 1.39 0.22 -0.22 4.01 -0.08 -4.57 117.16 114.39 1a95 n TYR 104 Ca -0.19 -3.82 0.08 0.00 -0.16 0.00 0.00 57.90 53.81 1a95 n TYR 104 Cb 1.06 -0.38 0.52 0.00 -0.31 0.00 0.00 39.34 40.23 1a95 n TYR 104 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a95 h PRO 105 N 4.39 0.00 -0.55 -0.72 0.13 -1.39 -2.84 132.00 131.03 1a95 h PRO 105 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1a95 h PRO 105 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1a95 h PRO 105 CO 0.61 0.24 0.00 1.63 -0.23 0.00 0.00 178.00 180.25 1a95 n LYS 106 N -3.85 2.51 -3.94 0.86 5.02 -0.81 -4.93 118.16 113.02 1a95 n LYS 106 Ca -0.02 -1.81 -0.26 0.00 -2.02 0.00 0.00 58.31 54.20 1a95 n LYS 106 Cb 0.33 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1a95 n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a95 s ALA 107 N -1.58 3.97 -0.72 7.82 0.00 -1.07 -3.89 121.76 126.29 1a95 s ALA 107 Ca 0.33 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1a95 s ALA 107 Cb 0.20 -1.79 0.10 0.00 0.00 0.00 0.00 23.12 21.63 1a95 s ALA 107 CO 0.18 0.53 0.96 -1.58 0.00 0.00 0.00 175.76 175.85 1a95 s HIS 108 N -1.75 2.87 -0.26 0.00 2.46 -0.88 -4.91 115.29 112.82 1a95 s HIS 108 Ca 0.35 -0.88 -0.27 0.00 0.47 0.00 0.00 55.06 54.73 1a95 s HIS 108 Cb -0.11 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.11 1a95 s HIS 108 CO 0.29 -1.53 0.94 0.12 -2.47 0.00 0.00 174.74 172.08 1a95 s PHE 109 N 3.37 3.28 0.08 3.88 5.36 -1.26 -1.62 117.98 131.07 1a95 s PHE 109 Ca 0.23 1.22 0.02 0.00 -0.96 0.00 0.00 56.93 57.44 1a95 s PHE 109 Cb -0.15 -3.25 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 1a95 s PHE 109 CO 0.04 -0.51 -0.08 0.14 -1.46 0.00 0.00 175.22 173.35 1a95 s VAL 110 N 3.11 0.71 0.20 3.12 -7.23 -0.14 -0.06 120.40 120.11 1a95 s VAL 110 Ca 0.39 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1a95 s VAL 110 Cb -0.15 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1a95 s VAL 110 CO 0.09 -0.67 0.18 0.42 -0.31 0.00 0.00 175.10 174.82 1a95 s THR 111 N -2.73 0.01 -0.16 5.32 -4.23 -0.94 -2.29 115.64 110.62 1a95 s THR 111 Ca 0.04 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 58.50 1a95 s THR 111 Cb -0.01 -2.37 -0.16 0.00 1.34 0.00 0.00 72.50 71.30 1a95 s THR 111 CO -0.02 -0.07 0.27 0.40 -0.54 0.00 0.00 174.62 174.66 1a95 h ILE 112 N 2.59 0.87 -3.15 2.99 1.08 -1.41 -3.26 117.51 117.21 1a95 h ILE 112 Ca -0.34 -1.86 -0.63 0.00 -0.39 0.00 0.00 64.86 61.64 1a95 h ILE 112 Cb 1.24 1.86 -0.11 0.00 -3.07 0.00 0.00 36.82 36.74 1a95 h ILE 112 CO 0.51 0.30 -0.65 -0.36 -0.69 0.00 0.00 178.15 177.26 1a95 s PHE 113 N -2.20 2.99 -0.18 1.37 0.08 -0.95 -0.97 117.98 118.12 1a95 s PHE 113 Ca -0.20 -0.04 -0.07 0.00 0.12 0.00 0.00 56.93 56.74 1a95 s PHE 113 Cb 0.02 -1.50 0.08 0.00 -0.57 0.00 0.00 43.02 41.05 1a95 s PHE 113 CO 0.47 0.50 0.39 0.00 -0.10 0.00 0.00 175.22 176.48 1a95 s ALA 114 N -1.46 -1.06 0.67 5.36 0.00 -0.77 -2.80 121.76 121.70 1a95 s ALA 114 Ca 0.27 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.58 1a95 s ALA 114 Cb -0.11 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1a95 s ALA 114 CO 0.19 -0.68 1.00 0.15 0.00 0.00 0.00 175.76 176.43 1a95 s LYS 115 N 2.44 2.58 0.34 0.00 1.02 -0.82 -2.74 119.74 122.55 1a95 s LYS 115 Ca -0.02 0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.06 1a95 s LYS 115 Cb -0.12 -2.16 0.78 0.00 -0.52 0.00 0.00 37.83 35.82 1a95 s LYS 115 CO -0.12 -1.03 1.85 -1.35 -0.92 0.00 0.00 175.35 173.78 1a95 h PRO 116 N -0.49 0.71 0.37 -1.68 0.11 -1.86 -1.38 132.00 127.78 1a95 h PRO 116 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1a95 h PRO 116 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1a95 h PRO 116 CO 0.62 0.47 -0.18 0.00 -0.21 0.00 0.00 178.00 178.70 1a95 h ALA 117 N 1.59 -0.50 -0.00 -0.75 0.00 -1.89 -3.21 119.26 114.50 1a95 h ALA 117 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1a95 h ALA 117 Cb 0.73 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a95 h ALA 117 CO -0.23 -0.68 -0.05 0.41 0.00 0.00 0.00 179.25 178.70 1a95 n GLY 118 N -0.75 -0.81 0.36 0.00 0.00 -1.18 -4.18 105.19 98.64 1a95 n GLY 118 Ca -0.10 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1a95 n GLY 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a95 h ARG 119 N 0.67 0.81 0.00 1.61 2.43 -1.25 -1.84 114.38 116.82 1a95 h ARG 119 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1a95 h ARG 119 Cb 0.27 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1a95 h ARG 119 CO 0.00 0.53 0.00 -2.30 -1.51 0.00 0.00 179.97 176.69 1a95 n PRO 120 N -4.50 0.02 0.07 0.20 -0.02 -1.26 -3.62 135.00 125.90 1a95 n PRO 120 Ca 0.13 0.03 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1a95 n PRO 120 Cb 0.26 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 1a95 n PRO 120 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a95 h LEU 121 N 0.00 0.00 -9.94 2.45 3.38 -1.61 -3.47 115.31 106.12 1a95 h LEU 121 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1a95 h LEU 121 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1a95 h LEU 121 CO 0.00 0.52 -0.10 0.68 0.09 0.00 0.00 178.44 179.63 1a95 s VAL 122 N -2.96 4.90 0.16 1.22 -7.23 -1.21 -4.99 120.40 110.29 1a95 s VAL 122 Ca -0.01 0.59 0.03 0.00 -1.81 0.00 0.00 61.98 60.78 1a95 s VAL 122 Cb 0.08 -3.65 -0.16 0.00 0.56 0.00 0.00 36.38 33.22 1a95 s VAL 122 CO 0.79 0.01 1.36 0.44 -0.31 0.00 0.00 175.10 177.40 1a95 h ASP 123 N 2.82 0.23 -4.67 4.85 3.32 -0.81 -3.47 116.42 118.70 1a95 h ASP 123 Ca -0.47 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.36 1a95 h ASP 123 Cb 1.18 -0.07 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 1a95 h ASP 123 CO 0.68 1.02 0.29 -0.62 -1.72 0.00 0.00 179.24 178.89 1a95 s ASP 124 N -6.92 -0.58 0.33 6.45 2.15 -1.20 -5.04 116.67 111.87 1a95 s ASP 124 Ca -0.03 0.67 -0.06 0.00 0.43 0.00 0.00 52.55 53.57 1a95 s ASP 124 Cb 0.10 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.26 1a95 s ASP 124 CO 0.83 -0.51 0.52 -0.72 -0.17 0.00 0.00 175.17 175.12 1a95 s TYR 125 N -1.05 0.80 -0.10 -5.34 1.13 -1.26 -2.22 117.35 109.31 1a95 s TYR 125 Ca -0.08 -1.12 -0.07 0.00 -1.41 0.00 0.00 57.07 54.40 1a95 s TYR 125 Cb -0.00 0.10 -0.05 0.00 -1.10 0.00 0.00 41.96 40.90 1a95 s TYR 125 CO 0.07 -1.17 -0.16 0.28 -2.51 0.00 0.00 175.55 172.06 1a95 n VAL 126 N -0.52 0.83 -4.88 -3.49 0.31 -0.33 -5.00 118.33 105.23 1a95 n VAL 126 Ca -0.01 -0.06 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 1a95 n VAL 126 Cb 0.61 -1.73 -0.13 0.00 -0.91 0.00 0.00 33.84 31.69 1a95 n VAL 126 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a95 s VAL 127 N -2.26 3.05 -0.07 2.52 1.01 -0.14 -5.03 120.40 119.48 1a95 s VAL 127 Ca -0.16 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1a95 s VAL 127 Cb 0.05 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1a95 s VAL 127 CO 0.21 0.58 0.54 -1.81 0.00 0.00 0.00 175.10 174.62 1a95 s ASP 128 N -0.62 6.82 -0.02 3.32 1.01 -1.26 -1.85 116.67 124.07 1a95 s ASP 128 Ca 0.09 0.98 0.01 0.00 0.71 0.00 0.00 52.55 54.35 1a95 s ASP 128 Cb -0.11 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1a95 s ASP 128 CO 0.01 0.04 -0.04 -0.63 0.21 0.00 0.00 175.17 174.75 1a95 s ILE 129 N 0.29 0.41 0.71 0.77 -1.09 -1.11 -4.95 121.20 116.24 1a95 s ILE 129 Ca 0.29 -0.16 -0.15 0.00 -2.23 0.00 0.00 60.65 58.40 1a95 s ILE 129 Cb -0.16 -0.39 0.03 0.00 -1.58 0.00 0.00 42.46 40.35 1a95 s ILE 129 CO 0.14 0.15 1.20 -2.84 -1.23 0.00 0.00 174.94 172.35 1a95 s PRO 130 N 0.26 2.28 0.22 2.79 0.02 -1.26 -3.98 135.00 135.33 1a95 s PRO 130 Ca -0.03 1.72 -0.08 0.00 0.02 0.00 0.00 61.00 62.64 1a95 s PRO 130 Cb -0.06 -1.85 0.17 0.00 0.02 0.00 0.00 34.50 32.77 1a95 s PRO 130 CO -0.00 -1.72 1.81 1.96 -0.33 0.00 0.00 177.00 178.72 1a95 h GLN 131 N -0.16 1.20 0.00 5.54 1.08 -1.97 -2.50 115.11 118.29 1a95 h GLN 131 Ca -0.48 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 56.54 1a95 h GLN 131 Cb 1.29 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1a95 h GLN 131 CO 0.51 0.93 0.00 -0.40 -0.95 0.00 0.00 178.83 178.91 1a95 n ASP 132 N -4.32 0.70 -4.68 1.46 5.75 -1.26 -4.76 116.55 109.45 1a95 n ASP 132 Ca 0.08 0.64 -0.40 0.00 -0.01 0.00 0.00 54.79 55.10 1a95 n ASP 132 Cb 0.15 -0.80 -0.05 0.00 -1.03 0.00 0.00 41.12 39.38 1a95 n ASP 132 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1a95 s THR 133 N -3.25 5.00 -0.15 2.12 2.01 -0.94 -4.77 115.64 115.65 1a95 s THR 133 Ca 0.06 1.35 -0.19 0.00 0.31 0.00 0.00 61.69 63.22 1a95 s THR 133 Cb 0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1a95 s THR 133 CO 0.45 0.13 0.55 0.86 -0.69 0.00 0.00 174.62 175.92 1a95 s TRP 134 N 1.67 3.46 -0.32 4.92 -0.11 -1.21 -4.80 118.94 122.54 1a95 s TRP 134 Ca 0.33 0.92 -0.21 0.00 1.22 0.00 0.00 56.10 58.36 1a95 s TRP 134 Cb -0.16 -2.67 -0.00 0.00 -1.50 0.00 0.00 33.47 29.14 1a95 s TRP 134 CO 0.13 0.02 0.68 0.42 -4.62 0.00 0.00 176.95 173.58 1a95 s ILE 135 N 1.16 4.87 -0.51 5.86 1.01 -1.26 -0.50 121.20 131.83 1a95 s ILE 135 Ca 0.28 0.86 -0.19 0.00 0.00 0.00 0.00 60.65 61.60 1a95 s ILE 135 Cb -0.16 -4.07 0.06 0.00 0.01 0.00 0.00 42.46 38.30 1a95 s ILE 135 CO 0.11 -0.24 0.62 -0.70 0.00 0.00 0.00 174.94 174.73 1a95 s GLU 136 N 2.77 3.12 0.55 2.79 2.56 -0.40 -4.96 118.70 125.12 1a95 s GLU 136 Ca 0.27 -0.91 -0.17 0.00 0.00 0.00 0.00 54.97 54.16 1a95 s GLU 136 Cb -0.14 -4.10 -0.06 0.00 2.00 0.00 0.00 34.13 31.83 1a95 s GLU 136 CO 0.13 -1.22 1.04 -0.65 -0.56 0.00 0.00 175.26 174.00 1a95 s GLN 137 N 2.60 3.56 0.31 4.30 -1.52 -1.26 -1.60 119.66 126.05 1a95 s GLN 137 Ca 0.15 1.19 -0.00 0.00 -1.95 0.00 0.00 55.36 54.75 1a95 s GLN 137 Cb -0.19 -2.07 0.51 0.00 -0.22 0.00 0.00 33.01 31.04 1a95 s GLN 137 CO 0.12 -0.61 1.95 -1.35 -0.25 0.00 0.00 175.29 175.15 1a95 h PRO 138 N 0.81 1.01 0.00 2.91 0.11 -1.84 -2.64 132.00 132.36 1a95 h PRO 138 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1a95 h PRO 138 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1a95 h PRO 138 CO 0.59 0.67 0.00 -2.67 -0.21 0.00 0.00 178.00 176.37 1a95 n TRP 139 N -4.44 0.66 1.03 0.65 2.14 -1.26 -2.10 117.44 114.12 1a95 n TRP 139 Ca 0.11 0.27 0.12 0.00 2.07 0.00 0.00 57.50 60.06 1a95 n TRP 139 Cb 0.10 -0.93 0.07 0.00 -0.81 0.00 0.00 31.31 29.74 1a95 n TRP 139 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1a95 n ASP 140 N -2.11 2.31 -4.86 -0.67 8.00 -1.00 -4.98 116.55 113.24 1a95 n ASP 140 Ca 0.02 -1.65 -0.30 0.00 0.71 0.00 0.00 54.79 53.57 1a95 n ASP 140 Cb 0.20 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1a95 n ASP 140 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a95 s MET 141 N -2.30 2.23 -0.10 -1.24 -1.94 -0.89 -5.02 119.30 110.04 1a95 s MET 141 Ca 0.23 -2.23 -0.30 0.00 -1.71 0.00 0.00 55.69 51.68 1a95 s MET 141 Cb 0.19 -1.84 0.12 0.00 2.01 0.00 0.00 34.83 35.31 1a95 s MET 141 CO 0.47 -0.55 0.99 0.20 -0.01 0.00 0.00 175.02 176.12 1a95 s GLY 142 N -4.13 -0.35 -0.62 -0.03 0.00 -1.26 -5.00 107.32 95.94 1a95 s GLY 142 Ca 0.19 1.55 -0.24 0.00 0.00 0.00 0.00 44.72 46.22 1a95 s GLY 142 CO 0.12 0.66 1.00 0.14 0.00 0.00 0.00 173.10 175.02 1a95 s VAL 143 N -2.17 4.26 0.27 1.40 1.01 -1.26 -5.00 120.40 118.91 1a95 s VAL 143 Ca 0.03 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1a95 s VAL 143 Cb -0.01 -4.65 -0.06 0.00 0.00 0.00 0.00 36.38 31.67 1a95 s VAL 143 CO -0.04 -1.34 0.04 0.68 0.00 0.00 0.00 175.10 174.44 1a95 s VAL 144 N 4.26 0.96 0.25 2.92 -7.23 -1.26 -5.12 120.40 115.17 1a95 s VAL 144 Ca 0.28 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1a95 s VAL 144 Cb -0.13 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.13 1a95 s VAL 144 CO 0.16 -0.13 1.54 0.12 -0.31 0.00 0.00 175.10 176.47 1a95 s PHE 145 N -3.47 2.93 -0.14 2.82 5.36 -1.26 -5.01 117.98 119.21 1a95 s PHE 145 Ca 0.34 0.82 -0.00 0.00 -0.96 0.00 0.00 56.93 57.12 1a95 s PHE 145 Cb 0.07 -3.95 0.03 0.00 -0.34 0.00 0.00 43.02 38.83 1a95 s PHE 145 CO 0.12 -3.25 -0.11 0.08 -1.46 0.00 0.00 175.22 170.61 1a95 s VAL 146 N 0.29 1.31 0.56 3.12 1.01 -1.26 -5.13 120.40 120.30 1a95 s VAL 146 Ca 0.64 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 1a95 s VAL 146 Cb -0.45 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1a95 s VAL 146 CO 0.42 0.39 1.11 -2.65 0.00 0.00 0.00 175.10 174.37 1a95 n PRO 147 N 4.85 1.22 -1.94 2.72 -0.02 -1.26 -4.96 135.00 135.61 1a95 n PRO 147 Ca -0.15 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1a95 n PRO 147 Cb 0.50 -2.29 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1a95 n PRO 147 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1a95 s PRO 148 N -2.72 2.87 0.26 0.52 0.02 -1.26 -4.90 135.00 129.79 1a95 s PRO 148 Ca 0.73 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 63.60 1a95 s PRO 148 Cb -0.44 -1.91 0.44 0.00 0.02 0.00 0.00 34.50 32.61 1a95 s PRO 148 CO 0.49 -1.30 1.83 0.82 -0.33 0.00 0.00 177.00 178.51 1a95 h ILE 149 N 0.79 0.96 -2.98 2.83 1.08 -2.02 -3.41 117.51 114.74 1a95 h ILE 149 Ca -0.50 -0.32 -0.64 0.00 -0.39 0.00 0.00 64.86 63.00 1a95 h ILE 149 Cb 1.31 -0.06 -0.18 0.00 -3.07 0.00 0.00 36.82 34.82 1a95 h ILE 149 CO 0.55 0.17 -0.81 -0.94 -0.69 0.00 0.00 178.15 176.43 1a95 s SER 150 N -5.70 3.45 -0.34 1.72 1.04 -1.26 -5.04 113.70 107.58 1a95 s SER 150 Ca -0.12 -0.90 0.08 0.00 0.48 0.00 0.00 55.95 55.48 1a95 s SER 150 Cb 0.20 -0.26 0.69 0.00 0.10 0.00 0.00 66.02 66.75 1a95 s SER 150 CO 0.80 0.10 1.78 0.61 0.98 0.00 0.00 173.24 177.50 1a95 n GLY 151 N 0.07 3.72 0.00 7.32 0.00 -1.26 -5.16 105.19 109.88 1a95 n GLY 151 Ca -0.11 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1a95 n GLY 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19