#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 0.68 -0.23 5.31 0.00 -1.26 -1.58 119.74 122.65 1a95 s LYS 4 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 55.97 54.85 1a95 s LYS 4 Cb 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 37.83 37.78 1a95 s LYS 4 CO 0.00 -0.03 -0.07 -0.47 0.00 0.00 0.00 175.35 174.78 1a95 s TYR 5 N -3.06 2.50 -0.02 1.78 5.04 0.32 -4.86 117.35 119.05 1a95 s TYR 5 Ca 0.04 -1.79 -0.30 0.00 -2.44 0.00 0.00 57.07 52.58 1a95 s TYR 5 Cb 0.02 -1.63 -0.03 0.00 0.35 0.00 0.00 41.96 40.67 1a95 s TYR 5 CO -0.05 -0.78 1.05 0.42 -1.34 0.00 0.00 175.55 174.86 1a95 s ILE 6 N 1.36 4.62 -0.27 3.14 -1.09 -1.26 -0.97 121.20 126.73 1a95 s ILE 6 Ca -0.05 1.89 0.03 0.00 -2.23 0.00 0.00 60.65 60.29 1a95 s ILE 6 Cb -0.18 -4.21 0.07 0.00 -1.58 0.00 0.00 42.46 36.55 1a95 s ILE 6 CO -0.06 0.10 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.97 1a95 s VAL 7 N 1.37 2.19 0.61 2.92 1.01 -0.64 -4.95 120.40 122.91 1a95 s VAL 7 Ca 0.53 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 1a95 s VAL 7 Cb -0.22 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1a95 s VAL 7 CO 0.25 -0.11 0.95 0.42 0.00 0.00 0.00 175.10 176.61 1a95 s THR 8 N 1.07 3.77 0.21 3.92 -4.23 -1.26 -2.83 115.64 116.29 1a95 s THR 8 Ca -0.06 0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.54 1a95 s THR 8 Cb -0.20 -3.51 0.15 0.00 1.34 0.00 0.00 72.50 70.28 1a95 s THR 8 CO -0.05 -0.57 1.82 -0.50 -0.54 0.00 0.00 174.62 174.78 1a95 h TRP 9 N -0.27 0.75 -0.36 3.99 4.06 -1.99 -2.02 115.95 120.11 1a95 h TRP 9 Ca -0.45 0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.55 1a95 h TRP 9 Cb 1.25 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 1a95 h TRP 9 CO 0.50 0.38 0.16 -0.44 -3.56 0.00 0.00 178.44 175.47 1a95 h ASP 10 N 0.76 0.21 -0.59 -3.49 3.32 -2.00 -2.04 116.42 112.58 1a95 h ASP 10 Ca 0.30 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 1a95 h ASP 10 Cb 0.14 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1a95 h ASP 10 CO -0.16 0.16 0.04 0.24 -1.72 0.00 0.00 179.24 177.80 1a95 h MET 11 N 0.33 1.02 -0.90 3.56 2.86 -1.88 -2.11 114.93 117.81 1a95 h MET 11 Ca 0.16 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1a95 h MET 11 Cb 0.10 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1a95 h MET 11 CO -0.13 0.99 0.60 1.25 1.06 0.00 0.00 176.91 180.67 1a95 h LEU 12 N 0.92 1.03 -0.89 1.22 5.85 -1.15 -1.60 115.31 120.69 1a95 h LEU 12 Ca 0.17 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1a95 h LEU 12 Cb 0.50 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1a95 h LEU 12 CO 0.02 0.74 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.15 1a95 h GLN 13 N 1.22 0.70 -0.48 1.25 4.15 -1.17 -0.42 115.11 120.35 1a95 h GLN 13 Ca 0.33 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1a95 h GLN 13 Cb -0.14 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1a95 h GLN 13 CO -0.07 0.79 0.15 0.82 -1.93 0.00 0.00 178.83 178.58 1a95 h ILE 14 N 0.63 1.23 -0.48 2.39 2.04 -0.67 -1.13 117.51 121.51 1a95 h ILE 14 Ca 0.11 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 1a95 h ILE 14 Cb 0.56 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1a95 h ILE 14 CO 0.03 0.28 -0.14 0.45 0.00 0.00 0.00 178.15 178.77 1a95 h HIS 15 N 0.64 1.07 -0.73 1.37 3.86 -1.07 -2.42 115.15 117.87 1a95 h HIS 15 Ca 0.15 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1a95 h HIS 15 Cb 0.27 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1a95 h HIS 15 CO 0.01 1.04 0.36 0.00 0.86 0.00 0.00 177.93 180.20 1a95 h ALA 16 N 0.88 1.26 -0.07 2.45 0.00 -0.88 -1.35 119.26 121.56 1a95 h ALA 16 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1a95 h ALA 16 Cb 0.71 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a95 h ALA 16 CO 0.05 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 179.33 1a95 h ARG 17 N 1.03 0.20 -0.36 0.00 3.08 -1.08 -1.43 114.38 115.81 1a95 h ARG 17 Ca 0.25 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 1a95 h ARG 17 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1a95 h ARG 17 CO -0.03 0.69 -0.30 -0.22 -1.07 0.00 0.00 179.97 179.04 1a95 h LYS 18 N 0.15 0.77 -0.38 0.04 3.64 -0.90 -2.60 116.57 117.28 1a95 h LYS 18 Ca 0.00 -0.35 -0.14 0.00 -1.27 0.00 0.00 60.65 58.89 1a95 h LYS 18 Cb 1.01 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1a95 h LYS 18 CO 0.08 0.97 -0.29 1.25 -2.27 0.00 0.00 179.45 179.19 1a95 h LEU 19 N 0.66 0.92 -1.70 5.20 5.85 -1.08 -3.04 115.31 122.12 1a95 h LEU 19 Ca 0.07 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1a95 h LEU 19 Cb 0.84 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1a95 h LEU 19 CO 0.07 1.17 0.15 0.00 -0.34 0.00 0.00 178.44 179.49 1a95 h ALA 20 N 0.78 1.78 -0.51 1.25 0.00 -1.13 -2.09 119.26 119.34 1a95 h ALA 20 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1a95 h ALA 20 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1a95 h ALA 20 CO 0.08 0.20 0.15 0.66 0.00 0.00 0.00 179.25 180.33 1a95 h SER 21 N 0.36 0.70 1.63 0.00 4.64 -1.34 -2.06 113.55 117.48 1a95 h SER 21 Ca 0.09 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1a95 h SER 21 Cb -0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1a95 h SER 21 CO -0.02 0.67 0.00 0.03 -0.87 0.00 0.00 176.83 176.65 1a95 h ARG 22 N 0.74 0.00 -0.01 4.77 3.08 -1.43 -3.11 114.38 118.42 1a95 h ARG 22 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1a95 h ARG 22 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1a95 h ARG 22 CO -0.01 0.00 -0.06 1.28 -1.07 0.00 0.00 179.97 180.11 1a95 n LEU 23 N -2.69 1.07 -4.80 3.04 4.77 -0.78 -4.89 117.00 112.71 1a95 n LEU 23 Ca 0.04 -0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.36 1a95 n LEU 23 Cb 0.45 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1a95 n LEU 23 CO 0.31 0.18 0.70 -0.04 -1.33 0.00 0.00 177.39 177.21 1a95 s MET 24 N -2.16 4.09 0.68 3.23 -1.94 -1.15 -4.13 119.30 117.91 1a95 s MET 24 Ca 0.36 1.35 -0.12 0.00 -1.71 0.00 0.00 55.69 55.57 1a95 s MET 24 Cb 0.21 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1a95 s MET 24 CO 0.39 -0.18 1.06 -1.25 -0.01 0.00 0.00 175.02 175.04 1a95 s PRO 25 N -2.88 2.96 0.16 2.03 0.04 -1.26 -5.08 135.00 130.96 1a95 s PRO 25 Ca 0.61 1.05 0.26 0.00 0.04 0.00 0.00 61.00 62.97 1a95 s PRO 25 Cb -0.17 -1.99 0.68 0.00 0.04 0.00 0.00 34.50 33.06 1a95 s PRO 25 CO 0.21 -1.09 1.63 -1.13 0.04 0.00 0.00 177.00 176.66 1a95 n SER 26 N -2.87 0.70 0.28 6.66 3.41 -1.26 -3.84 113.62 116.70 1a95 n SER 26 Ca 0.08 0.39 0.16 0.00 -0.26 0.00 0.00 58.87 59.24 1a95 n SER 26 Cb 0.53 -0.42 0.83 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.00 0.00 0.00 4.33 3.07 -1.91 -2.16 114.58 117.91 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 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1a95 h GLU 27 CO 0.00 0.07 0.00 0.00 -1.40 0.00 0.00 179.01 177.68 1a95 n GLN 28 N -3.40 0.05 -4.15 2.33 10.64 -1.25 -4.77 117.38 116.82 1a95 n GLN 28 Ca -0.02 0.08 -0.35 0.00 -1.83 0.00 0.00 57.00 54.88 1a95 n GLN 28 Cb 0.21 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.00 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 -2.94 3.25 -0.03 2.61 0.52 -0.81 -4.88 118.94 116.66 1a95 s TRP 29 Ca 0.13 0.14 0.12 0.00 0.02 0.00 0.00 56.10 56.52 1a95 s TRP 29 Cb 0.16 -1.95 -0.17 0.00 -1.15 0.00 0.00 33.47 30.37 1a95 s TRP 29 CO 0.44 0.32 0.97 1.57 0.02 0.00 0.00 176.95 180.27 1a95 h LYS 30 N 5.93 0.00 0.00 4.98 -0.00 -0.64 -3.50 116.57 123.34 1a95 h LYS 30 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 1a95 h LYS 30 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1a95 h LYS 30 CO 0.63 0.59 0.00 0.41 -0.00 0.00 0.00 179.45 181.07 1a95 n GLY 31 N 1.42 -1.34 3.14 0.07 0.00 -1.24 -4.78 105.19 102.47 1a95 n GLY 31 Ca -0.08 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.37 1.53 -0.30 -0.61 1.01 -0.35 -1.64 121.20 118.46 1a95 s ILE 32 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1a95 s ILE 32 Cb 0.00 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.20 1a95 s ILE 32 CO 0.00 0.44 -0.01 -0.63 0.00 0.00 0.00 174.94 174.74 1a95 s ILE 33 N 0.14 2.95 0.01 2.92 1.01 0.33 -0.04 121.20 128.52 1a95 s ILE 33 Ca -0.07 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.03 1a95 s ILE 33 Cb -0.13 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.58 1a95 s ILE 33 CO 0.03 -0.10 0.44 0.00 0.00 0.00 0.00 174.94 175.31 1a95 s ALA 34 N 1.25 3.67 -0.59 9.38 0.00 0.56 -1.67 121.76 134.36 1a95 s ALA 34 Ca -0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.51 1a95 s ALA 34 Cb -0.20 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.54 1a95 s ALA 34 CO -0.01 0.45 0.88 0.08 0.00 0.00 0.00 175.76 177.15 1a95 s VAL 35 N -1.02 4.48 0.29 0.00 1.01 -0.57 -1.69 120.40 122.90 1a95 s VAL 35 Ca 0.25 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1a95 s VAL 35 Cb -0.17 -4.55 -0.10 0.00 0.00 0.00 0.00 36.38 31.56 1a95 s VAL 35 CO 0.14 -1.19 1.37 -0.55 0.00 0.00 0.00 175.10 174.88 1a95 s SER 36 N 3.18 6.70 -0.03 3.32 0.15 -1.06 -0.14 113.70 125.83 1a95 s SER 36 Ca 0.23 2.69 0.18 0.00 0.70 0.00 0.00 55.95 59.75 1a95 s SER 36 Cb -0.16 -2.64 -0.28 0.00 -1.71 0.00 0.00 66.02 61.23 1a95 s SER 36 CO 0.14 -0.63 0.39 0.54 1.20 0.00 0.00 173.24 174.88 1a95 n ARG 37 N 1.52 0.55 -0.25 5.44 1.74 -1.26 -4.50 116.66 119.90 1a95 n ARG 37 Ca 0.03 -0.16 0.03 0.00 -0.77 0.00 0.00 57.85 56.98 1a95 n ARG 37 Cb 0.41 -1.43 0.16 0.00 -1.02 0.00 0.00 32.46 30.58 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 3.29 1.10 0.95 -0.13 0.00 -1.96 -2.17 103.07 104.15 1a95 h GLY 38 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1a95 h GLY 38 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1a95 n GLY 39 N -1.31 -0.97 0.05 4.60 0.00 0.81 -3.89 105.19 104.48 1a95 n GLY 39 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.07 0.01 -0.14 0.99 3.38 -1.53 0.49 115.31 118.59 1a95 h LEU 40 Ca 0.00 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1a95 h LEU 40 Cb 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1a95 h LEU 40 CO 0.00 0.20 -0.13 0.58 0.09 0.00 0.00 178.44 179.18 1a95 h VAL 41 N -0.17 1.34 -0.58 1.22 2.07 -1.77 -1.83 116.25 116.54 1a95 h VAL 41 Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1a95 h VAL 41 Cb 0.19 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1a95 h VAL 41 CO -0.00 0.37 0.28 -0.65 0.02 0.00 0.00 177.57 177.59 1a95 h PRO 42 N -0.04 0.82 -0.27 1.57 0.11 -1.76 -1.55 132.00 130.87 1a95 h PRO 42 Ca 0.02 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1a95 h PRO 42 Cb 0.64 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1a95 h PRO 42 CO 0.03 0.63 -0.28 0.78 -0.21 0.00 0.00 178.00 178.96 1a95 h GLY 43 N 0.91 0.60 1.03 -0.55 0.00 -0.86 -2.00 103.07 102.20 1a95 h GLY 43 Ca 0.20 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1a95 h GLY 43 CO -0.03 0.47 -0.04 0.00 0.00 0.00 0.00 176.54 176.94 1a95 h ALA 44 N 1.22 0.68 -0.60 3.60 0.00 -0.61 -0.96 119.26 122.59 1a95 h ALA 44 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1a95 h ALA 44 Cb 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1a95 h ALA 44 CO 0.06 0.52 0.17 -0.07 0.00 0.00 0.00 179.25 179.93 1a95 h LEU 45 N 0.77 0.89 -0.52 0.00 3.38 -1.11 -1.75 115.31 116.97 1a95 h LEU 45 Ca 0.14 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1a95 h LEU 45 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1a95 h LEU 45 CO 0.03 0.87 0.05 -0.07 0.09 0.00 0.00 178.44 179.41 1a95 h LEU 46 N 0.86 0.86 -1.35 1.67 3.38 -1.23 -0.94 115.31 118.56 1a95 h LEU 46 Ca 0.19 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1a95 h LEU 46 Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1a95 h LEU 46 CO -0.00 0.93 0.46 0.00 0.09 0.00 0.00 178.44 179.91 1a95 h ALA 47 N 0.96 1.58 -0.00 1.53 0.00 -0.92 0.34 119.26 122.75 1a95 h ALA 47 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a95 h ALA 47 Cb 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a95 h ALA 47 CO 0.02 0.36 -0.00 -0.09 0.00 0.00 0.00 179.25 179.54 1a95 h ARG 48 N 0.87 0.00 -0.74 0.00 1.12 -1.04 -0.32 114.38 114.27 1a95 h ARG 48 Ca 0.27 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.08 1a95 h ARG 48 Cb 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 1a95 h ARG 48 CO -0.07 0.66 0.21 0.93 -3.11 0.00 0.00 179.97 178.58 1a95 h GLU 49 N -0.65 1.16 0.00 0.20 4.39 -0.85 -2.97 114.58 115.86 1a95 h GLU 49 Ca -0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1a95 h GLU 49 Cb 0.66 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1a95 h GLU 49 CO 0.00 1.00 -0.47 1.28 -1.16 0.00 0.00 179.01 179.65 1a95 n LEU 50 N -4.24 0.53 -0.41 1.33 4.77 0.12 -4.95 117.00 114.15 1a95 n LEU 50 Ca 0.06 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1a95 n LEU 50 Cb 0.24 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1a95 n LEU 50 CO 0.42 0.03 -0.05 0.61 -1.33 0.00 0.00 177.39 177.07 1a95 n GLY 51 N 1.43 0.48 3.68 -0.72 0.00 -0.50 -4.80 105.19 104.76 1a95 n GLY 51 Ca 0.05 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.19 4.95 -0.72 -0.61 -1.09 -0.25 -4.94 121.20 116.36 1a95 s ILE 52 Ca 0.00 1.53 0.18 0.00 -2.23 0.00 0.00 60.65 60.14 1a95 s ILE 52 Cb 0.00 -4.09 -0.22 0.00 -1.58 0.00 0.00 42.46 36.57 1a95 s ILE 52 CO 0.00 0.11 0.72 0.54 -1.23 0.00 0.00 174.94 175.08 1a95 n ARG 53 N 4.72 0.86 -3.10 2.79 1.74 -1.26 -4.59 116.66 117.81 1a95 n ARG 53 Ca 0.02 -0.03 -0.45 0.00 -0.77 0.00 0.00 57.85 56.62 1a95 n ARG 53 Cb 0.50 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 1a95 n ARG 53 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1a95 s HIS 54 N -2.84 3.17 -0.15 -1.55 2.46 -1.26 -5.01 115.29 110.11 1a95 s HIS 54 Ca 0.04 -1.27 0.01 0.00 0.47 0.00 0.00 55.06 54.32 1a95 s HIS 54 Cb 0.14 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.53 1a95 s HIS 54 CO 0.76 -1.30 -0.17 0.08 -2.47 0.00 0.00 174.74 171.64 1a95 s VAL 55 N 2.22 2.47 0.41 0.89 1.01 -1.26 -1.21 120.40 124.93 1a95 s VAL 55 Ca 0.19 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1a95 s VAL 55 Cb -0.16 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1a95 s VAL 55 CO -0.01 0.52 0.04 -0.62 0.00 0.00 0.00 175.10 175.04 1a95 s ASP 56 N 0.85 3.34 0.14 3.32 -1.08 0.94 -4.99 116.67 119.19 1a95 s ASP 56 Ca -0.05 -1.51 0.02 0.00 -0.52 0.00 0.00 52.55 50.49 1a95 s ASP 56 Cb -0.15 0.11 -0.04 0.00 -1.46 0.00 0.00 42.92 41.37 1a95 s ASP 56 CO -0.01 -0.70 -0.03 0.42 0.52 0.00 0.00 175.17 175.37 1a95 s THR 57 N -3.01 0.71 -0.17 1.71 -4.23 -1.26 -0.32 115.64 109.06 1a95 s THR 57 Ca 0.25 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1a95 s THR 57 Cb 0.06 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1a95 s THR 57 CO 0.13 -0.65 0.04 0.54 -0.54 0.00 0.00 174.62 174.14 1a95 s VAL 58 N -3.63 0.38 -0.38 2.29 0.11 -0.68 -2.92 120.40 115.57 1a95 s VAL 58 Ca 0.19 -0.38 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 1a95 s VAL 58 Cb 0.06 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1a95 s VAL 58 CO 0.00 -0.15 0.25 0.00 -3.33 0.00 0.00 175.10 171.87 1a95 s ILE 60 N 1.62 1.91 -0.17 0.00 -4.36 -1.26 -0.09 121.20 118.85 1a95 s ILE 60 Ca 0.04 -0.92 -0.08 0.00 -0.26 0.00 0.00 60.65 59.43 1a95 s ILE 60 Cb -0.19 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1a95 s ILE 60 CO 0.08 0.52 0.11 -0.55 0.24 0.00 0.00 174.94 175.34 1a95 s SER 61 N 0.56 6.04 0.39 4.36 0.15 0.96 -4.94 113.70 121.22 1a95 s SER 61 Ca -0.14 0.25 0.08 0.00 0.70 0.00 0.00 55.95 56.83 1a95 s SER 61 Cb -0.17 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 1a95 s SER 61 CO 0.05 0.26 0.39 -0.94 1.20 0.00 0.00 173.24 174.19 1a95 s SER 62 N -0.11 5.27 -0.30 5.45 1.04 -1.26 -1.28 113.70 122.51 1a95 s SER 62 Ca 0.09 -0.59 -0.08 0.00 0.48 0.00 0.00 55.95 55.85 1a95 s SER 62 Cb -0.12 -0.73 0.18 0.00 0.10 0.00 0.00 66.02 65.46 1a95 s SER 62 CO 0.00 -0.58 0.84 -0.31 0.98 0.00 0.00 173.24 174.18 1a95 s TYR 63 N -2.39 -1.03 -0.48 5.02 4.12 -1.01 -4.94 117.35 116.64 1a95 s TYR 63 Ca 0.47 1.10 -0.24 0.00 0.02 0.00 0.00 57.07 58.42 1a95 s TYR 63 Cb -0.05 0.36 0.03 0.00 -1.52 0.00 0.00 41.96 40.78 1a95 s TYR 63 CO 0.29 -0.56 0.86 -0.51 0.02 0.00 0.00 175.55 175.64 1a95 s ASP 64 N 2.91 6.41 -0.95 2.29 1.11 -1.26 -0.73 116.67 126.45 1a95 s ASP 64 Ca 0.09 -0.14 -0.07 0.00 0.18 0.00 0.00 52.55 52.61 1a95 s ASP 64 Cb -0.12 -2.41 0.24 0.00 1.07 0.00 0.00 42.92 41.69 1a95 s ASP 64 CO -0.16 -1.03 0.88 -1.00 1.18 0.00 0.00 175.17 175.04 1a95 s HIS 65 N 3.56 3.98 0.00 4.23 3.76 0.12 -4.96 115.29 125.98 1a95 s HIS 65 Ca 0.31 -2.71 0.00 0.00 -0.15 0.00 0.00 55.06 52.51 1a95 s HIS 65 Cb -0.12 -3.56 0.00 0.00 1.11 0.00 0.00 32.58 30.01 1a95 s HIS 65 CO 0.22 -0.87 0.00 -0.25 -0.85 0.00 0.00 174.74 172.99 1a95 n ASP 66 N 2.84 0.00 -1.25 1.40 8.00 -1.26 -2.82 116.55 123.45 1a95 n ASP 66 Ca 0.20 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.80 1a95 n ASP 66 Cb 0.39 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.79 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 10.31 3.85 -4.12 -2.24 6.94 -1.26 -4.96 115.26 123.78 1a95 n ASN 67 Ca 0.00 -2.04 -0.15 0.00 -0.02 0.00 0.00 54.58 52.37 1a95 n ASN 67 Cb 0.00 -0.45 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 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 -1.07 0.70 -0.01 -3.83 0.74 -1.13 -5.15 119.66 109.91 1a95 s GLN 68 Ca 0.45 -0.91 -0.01 0.00 0.05 0.00 0.00 55.36 54.93 1a95 s GLN 68 Cb 0.24 -0.52 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 1a95 s GLN 68 CO 0.30 0.10 0.10 0.50 -0.55 0.00 0.00 175.29 175.74 1a95 s ARG 69 N -1.91 3.15 -0.32 1.67 3.52 -1.26 -0.71 118.95 123.10 1a95 s ARG 69 Ca -0.04 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1a95 s ARG 69 Cb -0.08 -2.92 0.06 0.00 -1.56 0.00 0.00 34.95 30.45 1a95 s ARG 69 CO 0.01 0.66 0.03 -2.00 -0.81 0.00 0.00 175.30 173.19 1a95 s GLU 70 N -1.76 2.29 -0.09 5.12 2.12 0.09 -4.96 118.70 121.52 1a95 s GLU 70 Ca 0.24 -1.40 -0.10 0.00 0.36 0.00 0.00 54.97 54.06 1a95 s GLU 70 Cb -0.12 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1a95 s GLU 70 CO 0.15 -0.71 0.24 -0.51 -0.54 0.00 0.00 175.26 173.88 1a95 s LEU 71 N 1.21 4.40 -0.13 2.70 1.43 -1.26 -2.41 118.68 124.62 1a95 s LEU 71 Ca -0.02 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1a95 s LEU 71 Cb -0.20 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 43.82 1a95 s LEU 71 CO -0.02 0.36 0.18 -0.54 0.23 0.00 0.00 176.35 176.56 1a95 s LYS 72 N -0.91 0.09 -0.44 1.70 -0.14 -0.40 -4.99 119.74 114.64 1a95 s LYS 72 Ca 0.18 0.41 -0.26 0.00 -1.36 0.00 0.00 55.97 54.94 1a95 s LYS 72 Cb -0.14 -0.67 0.02 0.00 -1.68 0.00 0.00 37.83 35.37 1a95 s LYS 72 CO 0.07 -0.44 0.94 0.08 -0.76 0.00 0.00 175.35 175.23 1a95 s VAL 73 N 2.30 4.48 0.08 3.17 1.01 -1.26 -0.03 120.40 130.16 1a95 s VAL 73 Ca 0.04 0.88 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 1a95 s VAL 73 Cb -0.13 -4.42 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 1a95 s VAL 73 CO -0.08 -0.77 1.19 -0.07 0.00 0.00 0.00 175.10 175.37 1a95 h LEU 74 N 10.48 0.82 -7.05 3.92 4.07 -0.88 -3.47 115.31 123.20 1a95 h LEU 74 Ca -0.24 -0.69 -0.06 0.00 0.08 0.00 0.00 57.88 56.97 1a95 h LEU 74 Cb 1.08 -0.25 -0.19 0.00 1.08 0.00 0.00 40.66 42.37 1a95 h LEU 74 CO 1.02 1.49 0.14 -0.75 -1.08 0.00 0.00 178.44 179.26 1a95 s LYS 75 N -3.21 1.00 -0.01 1.13 2.36 -1.10 -4.99 119.74 114.93 1a95 s LYS 75 Ca -0.09 0.29 -0.12 0.00 -2.55 0.00 0.00 55.97 53.51 1a95 s LYS 75 Cb 0.07 0.47 0.02 0.00 -1.05 0.00 0.00 37.83 37.33 1a95 s LYS 75 CO 0.91 -0.29 0.25 -0.98 1.55 0.00 0.00 175.35 176.79 1a95 s ARG 76 N -1.03 0.60 0.61 4.03 1.70 -1.26 0.04 118.95 123.63 1a95 s ARG 76 Ca -0.10 -0.27 -0.16 0.00 -0.47 0.00 0.00 55.73 54.74 1a95 s ARG 76 Cb -0.01 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1a95 s ARG 76 CO 0.09 -0.16 1.07 0.00 -1.08 0.00 0.00 175.30 175.22 1a95 s ALA 77 N -1.35 2.66 0.72 7.88 0.00 -1.15 -4.98 121.76 125.55 1a95 s ALA 77 Ca -0.14 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1a95 s ALA 77 Cb -0.06 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1a95 s ALA 77 CO 0.03 -0.94 1.09 -1.21 0.00 0.00 0.00 175.76 174.73 1a95 s GLU 78 N -4.05 2.77 1.19 0.00 0.41 -1.26 -4.94 118.70 112.82 1a95 s GLU 78 Ca 0.65 0.58 0.00 0.00 -0.41 0.00 0.00 54.97 55.79 1a95 s GLU 78 Cb -0.18 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1a95 s GLU 78 CO 0.38 -1.13 0.00 0.41 -0.49 0.00 0.00 175.26 174.43 1a95 n GLY 79 N -2.68 -1.95 0.59 -1.39 0.00 -1.26 -4.55 105.19 93.95 1a95 n GLY 79 Ca 0.07 -1.39 0.05 0.00 0.00 0.00 0.00 46.02 44.76 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 0.63 2.91 0.00 1.61 5.68 -1.26 -4.87 116.55 121.24 1a95 n ASP 80 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1a95 n ASP 80 Cb 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1a95 n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a95 n GLY 81 N 0.30 0.48 3.63 6.12 0.00 -1.26 -2.43 105.19 112.02 1a95 n GLY 81 Ca 0.11 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.11 3.68 0.00 1.61 2.12 -1.26 -1.46 118.70 122.28 1a95 s GLU 82 Ca 0.00 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.22 1a95 s GLU 82 Cb 0.00 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.25 1a95 s GLU 82 CO 0.00 -1.45 0.00 0.41 -0.54 0.00 0.00 175.26 173.68 1a95 n GLY 83 N 4.93 0.71 3.79 -1.50 0.00 -1.26 -4.88 105.19 106.99 1a95 n GLY 83 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.60 3.08 -0.31 1.61 0.40 -0.54 0.10 117.98 119.71 1a95 s PHE 84 Ca 0.00 -0.08 -0.06 0.00 -0.60 0.00 0.00 56.93 56.20 1a95 s PHE 84 Cb 0.00 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 42.12 1a95 s PHE 84 CO 0.00 0.53 0.07 0.42 0.70 0.00 0.00 175.22 176.94 1a95 s ILE 85 N -1.93 3.67 -0.27 0.64 1.01 -0.65 -2.19 121.20 121.48 1a95 s ILE 85 Ca 0.31 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 1a95 s ILE 85 Cb -0.09 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1a95 s ILE 85 CO 0.23 -0.06 0.38 -0.69 0.00 0.00 0.00 174.94 174.80 1a95 s VAL 86 N 1.41 5.17 0.03 2.92 1.01 -0.88 -0.51 120.40 129.55 1a95 s VAL 86 Ca -0.01 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1a95 s VAL 86 Cb -0.19 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1a95 s VAL 86 CO 0.02 0.16 -0.20 -0.51 0.00 0.00 0.00 175.10 174.57 1a95 s ILE 87 N 2.05 1.57 0.10 2.22 2.07 -0.67 -1.20 121.20 127.34 1a95 s ILE 87 Ca 0.15 -1.09 0.02 0.00 -1.41 0.00 0.00 60.65 58.32 1a95 s ILE 87 Cb -0.16 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.04 1a95 s ILE 87 CO 0.10 0.23 -0.06 -0.62 -1.91 0.00 0.00 174.94 172.68 1a95 s ASP 88 N -1.01 1.13 0.10 4.50 -1.08 -0.93 -1.51 116.67 117.88 1a95 s ASP 88 Ca 0.07 -1.02 -0.14 0.00 -0.52 0.00 0.00 52.55 50.93 1a95 s ASP 88 Cb -0.08 0.10 -0.10 0.00 -1.46 0.00 0.00 42.92 41.38 1a95 s ASP 88 CO 0.01 -0.48 1.39 -2.24 0.52 0.00 0.00 175.17 174.37 1a95 h ASP 89 N 2.94 0.79 -5.09 -0.34 2.03 -1.89 -3.23 116.42 111.64 1a95 h ASP 89 Ca -0.35 -0.51 -0.01 0.00 -0.73 0.00 0.00 57.03 55.42 1a95 h ASP 89 Cb 1.17 -0.22 -0.10 0.00 -0.83 0.00 0.00 39.33 39.35 1a95 h ASP 89 CO 0.64 1.14 0.04 -1.48 -1.03 0.00 0.00 179.24 178.56 1a95 s LEU 90 N -8.86 0.04 -0.15 0.15 0.05 -1.26 -1.84 118.68 106.81 1a95 s LEU 90 Ca -0.12 -0.52 -0.00 0.00 0.05 0.00 0.00 54.13 53.54 1a95 s LEU 90 Cb 0.09 2.19 0.03 0.00 -2.05 0.00 0.00 46.19 46.45 1a95 s LEU 90 CO 0.84 -1.09 -0.07 -0.69 -0.55 0.00 0.00 176.35 174.79 1a95 s VAL 91 N -3.89 1.17 0.00 1.48 1.01 -1.15 -5.00 120.40 114.02 1a95 s VAL 91 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1a95 s VAL 91 Cb -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1a95 s VAL 91 CO -0.01 0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.66 1a95 n ASP 92 N 4.87 0.00 -0.00 3.32 -0.08 -1.26 -1.80 116.55 121.60 1a95 n ASP 92 Ca -0.13 0.05 0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1a95 n ASP 92 Cb 0.49 -0.38 -0.12 0.00 2.34 0.00 0.00 41.12 43.45 1a95 n ASP 92 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1a95 n THR 93 N -2.17 0.71 -0.36 5.18 -2.24 -1.26 -3.62 114.28 110.52 1a95 n THR 93 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1a95 n THR 93 Cb 0.00 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1a95 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a95 n GLY 94 N 1.39 0.81 0.20 3.38 0.00 -1.26 -4.12 105.19 105.59 1a95 n GLY 94 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.66 1.01 -0.02 0.00 -1.98 -2.08 103.07 100.65 1a95 h GLY 95 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1a95 h GLY 95 CO 0.00 0.31 -0.35 -0.84 0.00 0.00 0.00 176.54 175.66 1a95 h THR 96 N 0.55 1.30 -0.74 4.70 2.02 -1.99 -3.07 112.91 115.68 1a95 h THR 96 Ca 0.15 -1.53 0.09 0.00 0.77 0.00 0.00 66.41 65.89 1a95 h THR 96 Cb 0.12 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1a95 h THR 96 CO -0.02 0.49 0.39 0.00 0.37 0.00 0.00 175.52 176.75 1a95 h ALA 97 N 0.69 1.03 -0.37 6.16 0.00 -1.93 0.30 119.26 125.15 1a95 h ALA 97 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a95 h ALA 97 Cb 0.93 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1a95 h ALA 97 CO 0.08 -0.01 0.15 0.28 0.00 0.00 0.00 179.25 179.75 1a95 h VAL 98 N 0.65 1.19 -0.55 0.00 2.07 -1.38 0.23 116.25 118.46 1a95 h VAL 98 Ca 0.36 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1a95 h VAL 98 Cb 0.36 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1a95 h VAL 98 CO -0.26 0.21 0.26 0.00 0.02 0.00 0.00 177.57 177.80 1a95 h ALA 99 N 0.99 0.72 -0.33 1.67 0.00 -1.26 -2.31 119.26 118.74 1a95 h ALA 99 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1a95 h ALA 99 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a95 h ALA 99 CO -0.01 0.29 -0.17 0.82 0.00 0.00 0.00 179.25 180.17 1a95 h ILE 100 N 0.75 1.29 -0.09 0.00 1.08 -0.83 -2.79 117.51 116.92 1a95 h ILE 100 Ca 0.19 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.36 1a95 h ILE 100 Cb 0.13 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1a95 h ILE 100 CO -0.02 0.42 0.02 -0.09 -0.69 0.00 0.00 178.15 177.79 1a95 h ARG 101 N 0.48 0.12 0.00 2.37 9.65 -0.83 -0.04 114.38 126.13 1a95 h ARG 101 Ca 0.07 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1a95 h ARG 101 Cb 0.71 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1a95 h ARG 101 CO 0.05 0.11 -0.14 0.93 2.80 0.00 0.00 179.97 183.72 1a95 h GLU 102 N 0.12 0.00 0.03 0.20 4.39 -1.27 -2.56 114.58 115.50 1a95 h GLU 102 Ca 0.03 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 1a95 h GLU 102 Cb 0.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1a95 h GLU 102 CO -0.00 0.14 -1.59 0.52 -1.16 0.00 0.00 179.01 176.92 1a95 h MET 103 N 0.00 0.07 -2.45 2.33 2.86 -0.98 -3.40 114.93 113.36 1a95 h MET 103 Ca -0.00 -0.12 -0.59 0.00 -2.06 0.00 0.00 59.70 56.92 1a95 h MET 103 Cb 1.07 0.05 -0.40 0.00 0.06 0.00 0.00 31.60 32.38 1a95 h MET 103 CO 0.02 0.76 -0.84 0.66 1.06 0.00 0.00 176.91 178.57 1a95 n TYR 104 N -3.21 0.93 0.20 -0.22 4.01 -0.14 -4.65 117.16 114.07 1a95 n TYR 104 Ca -0.16 -3.74 0.05 0.00 -0.16 0.00 0.00 57.90 53.89 1a95 n TYR 104 Cb 1.03 -0.21 0.44 0.00 -0.31 0.00 0.00 39.34 40.28 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 5.01 0.00 -0.58 -0.72 0.13 -1.41 -2.97 132.00 131.46 1a95 h PRO 105 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1a95 h PRO 105 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1a95 h PRO 105 CO 0.55 0.31 0.00 1.63 -0.23 0.00 0.00 178.00 180.25 1a95 n LYS 106 N -3.97 2.56 -3.58 0.86 5.02 -1.02 -4.94 118.16 113.08 1a95 n LYS 106 Ca -0.02 -2.06 -0.30 0.00 -2.02 0.00 0.00 58.31 53.91 1a95 n LYS 106 Cb 0.37 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.43 3.74 -0.68 7.82 0.00 -1.12 -3.98 121.76 126.11 1a95 s ALA 107 Ca 0.38 -0.59 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 1a95 s ALA 107 Cb 0.21 -2.17 0.09 0.00 0.00 0.00 0.00 23.12 21.26 1a95 s ALA 107 CO 0.23 0.51 0.89 -1.58 0.00 0.00 0.00 175.76 175.82 1a95 s HIS 108 N -1.81 2.88 -0.25 0.00 2.46 -0.93 -4.92 115.29 112.73 1a95 s HIS 108 Ca 0.42 -0.86 -0.28 0.00 0.47 0.00 0.00 55.06 54.81 1a95 s HIS 108 Cb -0.11 -4.18 0.01 0.00 -0.13 0.00 0.00 32.58 28.16 1a95 s HIS 108 CO 0.26 -1.49 0.98 0.12 -2.47 0.00 0.00 174.74 172.14 1a95 s PHE 109 N 3.28 3.31 0.12 3.88 5.36 -1.26 -2.07 117.98 130.60 1a95 s PHE 109 Ca 0.20 1.32 0.03 0.00 -0.96 0.00 0.00 56.93 57.52 1a95 s PHE 109 Cb -0.17 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 1a95 s PHE 109 CO 0.05 -0.50 -0.08 0.14 -1.46 0.00 0.00 175.22 173.37 1a95 s VAL 110 N 3.15 0.92 0.19 3.12 -7.23 -0.35 -0.17 120.40 120.04 1a95 s VAL 110 Ca 0.41 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.55 1a95 s VAL 110 Cb -0.15 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1a95 s VAL 110 CO 0.08 -0.78 0.31 0.42 -0.31 0.00 0.00 175.10 174.82 1a95 s THR 111 N -3.35 0.04 -0.17 5.32 -4.23 -0.93 -2.18 115.64 110.14 1a95 s THR 111 Ca 0.13 -1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 1a95 s THR 111 Cb 0.03 -2.04 -0.19 0.00 1.34 0.00 0.00 72.50 71.65 1a95 s THR 111 CO -0.02 -0.17 0.35 0.40 -0.54 0.00 0.00 174.62 174.64 1a95 h ILE 112 N 2.48 1.07 -3.10 2.99 1.08 -1.48 -3.23 117.51 117.32 1a95 h ILE 112 Ca -0.31 -2.04 -0.62 0.00 -0.39 0.00 0.00 64.86 61.49 1a95 h ILE 112 Cb 1.24 2.26 -0.10 0.00 -3.07 0.00 0.00 36.82 37.15 1a95 h ILE 112 CO 0.46 0.36 -0.63 -0.36 -0.69 0.00 0.00 178.15 177.29 1a95 s PHE 113 N -2.25 3.03 -0.17 1.37 0.08 -0.77 -0.70 117.98 118.58 1a95 s PHE 113 Ca -0.22 -0.03 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 1a95 s PHE 113 Cb 0.02 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 41.03 1a95 s PHE 113 CO 0.55 0.50 0.36 0.00 -0.10 0.00 0.00 175.22 176.53 1a95 s ALA 114 N -1.49 -0.93 0.35 5.36 0.00 -0.52 -2.92 121.76 121.60 1a95 s ALA 114 Ca 0.28 1.33 -0.06 0.00 0.00 0.00 0.00 51.96 53.51 1a95 s ALA 114 Cb -0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1a95 s ALA 114 CO 0.20 -0.54 0.64 0.15 0.00 0.00 0.00 175.76 176.20 1a95 s LYS 115 N 2.11 3.65 0.28 0.00 1.02 -0.75 -1.77 119.74 124.28 1a95 s LYS 115 Ca -0.04 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 1a95 s LYS 115 Cb -0.11 -2.55 0.64 0.00 -0.52 0.00 0.00 37.83 35.29 1a95 s LYS 115 CO -0.11 0.10 1.62 -1.35 -0.92 0.00 0.00 175.35 174.69 1a95 h PRO 116 N 1.33 0.12 -0.20 -1.68 0.11 -1.87 -0.32 132.00 129.49 1a95 h PRO 116 Ca -0.48 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1a95 h PRO 116 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1a95 h PRO 116 CO 0.65 0.08 0.03 0.00 -0.21 0.00 0.00 178.00 178.54 1a95 h ALA 117 N 1.81 0.20 -0.01 -0.75 0.00 -1.90 -3.04 119.26 115.56 1a95 h ALA 117 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1a95 h ALA 117 Cb 1.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1a95 h ALA 117 CO -0.73 -0.40 -0.25 0.41 0.00 0.00 0.00 179.25 178.28 1a95 n GLY 118 N -1.18 -0.15 0.29 0.00 0.00 -0.95 -4.49 105.19 98.71 1a95 n GLY 118 Ca -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 2.13 0.42 0.00 1.61 2.43 -0.95 -0.51 114.38 119.52 1a95 h ARG 119 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1a95 h ARG 119 Cb 0.63 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1a95 h ARG 119 CO 0.00 0.28 0.00 -2.30 -1.51 0.00 0.00 179.97 176.44 1a95 n PRO 120 N -5.01 0.01 0.00 0.20 -0.02 -1.26 -2.99 135.00 125.92 1a95 n PRO 120 Ca 0.16 0.22 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1a95 n PRO 120 Cb 0.48 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.81 1a95 n PRO 120 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a95 n LEU 121 N -1.49 0.50 -4.75 2.45 4.77 -0.20 -4.91 117.00 113.37 1a95 n LEU 121 Ca 0.04 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1a95 n LEU 121 Cb 0.18 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1a95 n LEU 121 CO 0.15 0.11 -0.28 0.68 -1.33 0.00 0.00 177.39 176.72 1a95 s VAL 122 N -2.88 4.35 -0.17 4.08 -7.23 -1.16 -4.96 120.40 112.43 1a95 s VAL 122 Ca 0.15 -0.90 0.17 0.00 -1.81 0.00 0.00 61.98 59.59 1a95 s VAL 122 Cb 0.18 -3.11 0.13 0.00 0.56 0.00 0.00 36.38 34.14 1a95 s VAL 122 CO 0.63 0.08 1.52 0.44 -0.31 0.00 0.00 175.10 177.46 1a95 h ASP 123 N 3.18 0.00 -3.35 4.85 3.32 -0.89 -3.47 116.42 120.06 1a95 h ASP 123 Ca -0.47 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.69 1a95 h ASP 123 Cb 1.17 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.46 1a95 h ASP 123 CO 0.63 0.38 0.62 -0.62 -1.72 0.00 0.00 179.24 178.54 1a95 s ASP 124 N -6.39 -0.30 0.33 6.45 -1.08 -1.20 -5.03 116.67 109.45 1a95 s ASP 124 Ca 0.04 0.46 -0.03 0.00 -0.52 0.00 0.00 52.55 52.51 1a95 s ASP 124 Cb 0.07 0.43 -0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1a95 s ASP 124 CO 0.72 -0.18 0.45 -0.72 0.52 0.00 0.00 175.17 175.96 1a95 s TYR 125 N -0.46 1.04 -0.07 -5.34 1.13 -1.26 -2.19 117.35 110.21 1a95 s TYR 125 Ca 0.03 -1.27 -0.02 0.00 -1.41 0.00 0.00 57.07 54.40 1a95 s TYR 125 Cb -0.03 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.69 1a95 s TYR 125 CO -0.05 -1.09 -0.08 0.28 -2.51 0.00 0.00 175.55 172.10 1a95 n VAL 126 N -0.54 0.37 -5.06 -3.49 0.31 -0.60 -4.99 118.33 104.33 1a95 n VAL 126 Ca 0.01 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.91 1a95 n VAL 126 Cb 0.62 -1.35 -0.15 0.00 -0.91 0.00 0.00 33.84 32.05 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 -2.12 2.60 -0.16 2.52 1.01 0.13 -5.03 120.40 119.35 1a95 s VAL 127 Ca -0.09 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 1a95 s VAL 127 Cb 0.03 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1a95 s VAL 127 CO 0.13 0.58 0.56 -1.81 0.00 0.00 0.00 175.10 174.55 1a95 s ASP 128 N -0.48 6.68 -0.05 3.32 1.01 -1.26 -1.43 116.67 124.46 1a95 s ASP 128 Ca 0.06 0.82 0.05 0.00 0.71 0.00 0.00 52.55 54.18 1a95 s ASP 128 Cb -0.12 -2.32 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 1a95 s ASP 128 CO 0.01 -0.15 -0.19 -0.63 0.21 0.00 0.00 175.17 174.42 1a95 s ILE 129 N 1.35 1.58 0.72 0.77 -1.09 -0.73 -4.94 121.20 118.85 1a95 s ILE 129 Ca 0.27 -0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 57.76 1a95 s ILE 129 Cb -0.16 -1.35 0.03 0.00 -1.58 0.00 0.00 42.46 39.40 1a95 s ILE 129 CO 0.11 0.45 1.15 -2.84 -1.23 0.00 0.00 174.94 172.58 1a95 s PRO 130 N 0.02 2.34 0.23 2.79 0.02 -1.26 -3.83 135.00 135.30 1a95 s PRO 130 Ca -0.04 1.55 -0.07 0.00 0.02 0.00 0.00 61.00 62.46 1a95 s PRO 130 Cb -0.12 -1.88 0.20 0.00 0.02 0.00 0.00 34.50 32.72 1a95 s PRO 130 CO 0.03 -1.64 1.82 0.37 -0.33 0.00 0.00 177.00 177.25 1a95 h GLN 131 N -0.33 1.20 0.00 5.54 5.75 -1.96 -2.79 115.11 122.52 1a95 h GLN 131 Ca -0.47 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 57.85 1a95 h GLN 131 Cb 1.27 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1a95 h GLN 131 CO 0.51 0.93 0.00 -0.40 -2.65 0.00 0.00 178.83 177.22 1a95 n ASP 132 N -4.30 0.50 -4.72 -0.69 5.68 -1.26 -4.81 116.55 106.96 1a95 n ASP 132 Ca 0.08 0.58 -0.40 0.00 -0.50 0.00 0.00 54.79 54.56 1a95 n ASP 132 Cb 0.15 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 39.38 1a95 n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a95 s THR 133 N -3.15 5.05 -0.23 2.12 2.01 -1.05 -4.32 115.64 116.07 1a95 s THR 133 Ca 0.08 1.44 -0.16 0.00 0.31 0.00 0.00 61.69 63.36 1a95 s THR 133 Cb 0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1a95 s THR 133 CO 0.46 0.25 0.43 0.86 -0.69 0.00 0.00 174.62 175.93 1a95 s TRP 134 N 0.79 3.33 -0.29 4.92 -0.11 -0.62 -4.85 118.94 122.11 1a95 s TRP 134 Ca 0.37 0.59 -0.26 0.00 1.22 0.00 0.00 56.10 58.03 1a95 s TRP 134 Cb -0.18 -2.58 0.00 0.00 -1.50 0.00 0.00 33.47 29.21 1a95 s TRP 134 CO 0.18 -0.11 0.89 0.42 -4.62 0.00 0.00 176.95 173.71 1a95 s ILE 135 N 1.68 4.72 -0.55 5.86 1.01 -1.26 -0.53 121.20 132.13 1a95 s ILE 135 Ca 0.19 1.48 -0.19 0.00 0.00 0.00 0.00 60.65 62.14 1a95 s ILE 135 Cb -0.15 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 38.18 1a95 s ILE 135 CO 0.09 -0.27 0.65 -0.70 0.00 0.00 0.00 174.94 174.71 1a95 s GLU 136 N 3.14 3.07 0.56 2.79 2.56 -0.15 -4.95 118.70 125.72 1a95 s GLU 136 Ca 0.37 -1.16 -0.17 0.00 0.00 0.00 0.00 54.97 54.01 1a95 s GLU 136 Cb -0.14 -4.19 -0.05 0.00 2.00 0.00 0.00 34.13 31.75 1a95 s GLU 136 CO 0.12 -1.37 1.05 -0.65 -0.56 0.00 0.00 175.26 173.84 1a95 s GLN 137 N 2.56 3.49 0.25 4.30 -1.52 -1.26 -1.62 119.66 125.86 1a95 s GLN 137 Ca 0.12 1.25 -0.05 0.00 -1.95 0.00 0.00 55.36 54.73 1a95 s GLN 137 Cb -0.22 -2.05 0.28 0.00 -0.22 0.00 0.00 33.01 30.80 1a95 s GLN 137 CO 0.08 -0.68 1.92 -1.35 -0.25 0.00 0.00 175.29 175.01 1a95 h PRO 138 N 0.81 1.29 0.00 2.91 0.11 -1.85 -2.77 132.00 132.50 1a95 h PRO 138 Ca -0.48 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1a95 h PRO 138 Cb 1.22 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1a95 h PRO 138 CO 0.58 0.85 0.00 -2.67 -0.21 0.00 0.00 178.00 176.55 1a95 n TRP 139 N -4.40 0.58 1.02 0.65 2.14 -1.26 -1.75 117.44 114.42 1a95 n TRP 139 Ca 0.13 0.25 0.11 0.00 2.07 0.00 0.00 57.50 60.06 1a95 n TRP 139 Cb 0.04 -0.90 0.03 0.00 -0.81 0.00 0.00 31.31 29.67 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 -2.05 2.00 -4.10 -0.67 8.00 -1.05 -4.98 116.55 113.70 1a95 n ASP 140 Ca 0.01 -1.49 -0.22 0.00 0.71 0.00 0.00 54.79 53.81 1a95 n ASP 140 Cb 0.15 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1a95 n ASP 140 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1a95 n MET 141 N -0.01 0.95 -3.59 -1.24 2.81 -0.71 -5.04 117.12 110.29 1a95 n MET 141 Ca 0.10 -2.68 -0.06 0.00 -1.81 0.00 0.00 57.70 53.25 1a95 n MET 141 Cb 0.47 0.45 -0.03 0.00 -0.71 0.00 0.00 33.22 33.40 1a95 n MET 141 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a95 s GLY 142 N -3.41 -0.23 -0.52 3.03 0.00 -1.26 -5.00 107.32 99.93 1a95 s GLY 142 Ca 0.15 1.87 -0.25 0.00 0.00 0.00 0.00 44.72 46.49 1a95 s GLY 142 CO 0.09 0.73 0.93 -1.34 0.00 0.00 0.00 173.10 173.52 1a95 s VAL 143 N -1.94 4.42 0.26 1.40 -7.23 -1.26 -5.01 120.40 111.04 1a95 s VAL 143 Ca 0.06 0.44 0.02 0.00 -1.81 0.00 0.00 61.98 60.70 1a95 s VAL 143 Cb -0.01 -4.50 -0.05 0.00 0.56 0.00 0.00 36.38 32.38 1a95 s VAL 143 CO -0.04 -1.01 0.05 0.68 -0.31 0.00 0.00 175.10 174.47 1a95 s VAL 144 N 3.87 0.83 0.24 1.32 -7.23 -1.26 -5.12 120.40 113.04 1a95 s VAL 144 Ca 0.33 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.18 1a95 s VAL 144 Cb -0.12 -2.54 -0.11 0.00 0.56 0.00 0.00 36.38 34.17 1a95 s VAL 144 CO 0.22 -0.13 1.60 0.12 -0.31 0.00 0.00 175.10 176.60 1a95 s PHE 145 N -3.56 2.89 -0.17 2.82 5.36 -1.26 -5.00 117.98 119.06 1a95 s PHE 145 Ca 0.34 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1a95 s PHE 145 Cb 0.07 -4.03 0.04 0.00 -0.34 0.00 0.00 43.02 38.76 1a95 s PHE 145 CO 0.12 -3.63 -0.09 0.08 -1.46 0.00 0.00 175.22 170.24 1a95 s VAL 146 N 0.52 1.40 0.48 3.12 1.01 -1.26 -5.12 120.40 120.56 1a95 s VAL 146 Ca 0.67 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 1a95 s VAL 146 Cb -0.47 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 1a95 s VAL 146 CO 0.40 0.25 1.17 -2.65 0.00 0.00 0.00 175.10 174.26 1a95 n PRO 147 N 4.79 1.55 -1.79 2.72 -0.02 -1.26 -4.95 135.00 136.04 1a95 n PRO 147 Ca -0.14 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1a95 n PRO 147 Cb 0.48 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.40 2.63 0.00 0.52 0.02 -1.26 -4.86 135.00 129.65 1a95 s PRO 148 Ca 0.66 1.93 0.05 0.00 0.02 0.00 0.00 61.00 63.66 1a95 s PRO 148 Cb -0.48 -1.87 0.25 0.00 0.02 0.00 0.00 34.50 32.41 1a95 s PRO 148 CO 0.54 -1.50 1.04 -0.89 -0.33 0.00 0.00 177.00 175.86 1a95 n ILE 149 N -1.93 1.14 -3.57 2.83 5.41 -1.26 -4.67 119.36 117.32 1a95 n ILE 149 Ca 0.15 0.29 -0.14 0.00 1.00 0.00 0.00 62.75 64.05 1a95 n ILE 149 Cb 0.49 -1.20 -0.05 0.00 -0.71 0.00 0.00 39.64 38.17 1a95 n ILE 149 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1a95 s SER 150 N -2.69 -0.44 -0.86 4.38 1.04 -1.26 -5.08 113.70 108.79 1a95 s SER 150 Ca 0.04 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.64 1a95 s SER 150 Cb 0.03 0.50 0.33 0.00 0.10 0.00 0.00 66.02 66.98 1a95 s SER 150 CO 0.08 -0.74 1.52 0.61 0.98 0.00 0.00 173.24 175.70 1a95 n GLY 151 N 0.34 5.95 0.42 7.32 0.00 -1.26 -5.17 105.19 112.79 1a95 n GLY 151 Ca -0.18 -2.65 0.14 0.00 0.00 0.00 0.00 46.02 43.33 1a95 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86